# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/0636d095-9773-49e9-89df-89ccb1b042b1/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 Li4UO5 / I4/m (87) / materials id 7714](https://mdr.nims.go.jp/datasets/e897d3c4-d5c3-4ec2-9bc8-ce3ba297ccfb) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-07 22:31:03]-------------------------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/m (87)Number of symmetry operations in supercell: 32------------------------------ primitive cell ------------------------------Lattice vectors: a -3.337431505000001 3.337431505000001 2.200155000000000 b 3.337431505000001 -3.337431505000001 2.200155000000000 c 3.337431505000001 3.337431505000001 -2.200155000000000Atomic positions (fractional): *1 Li 0.81448024234791 0.41611449875918 0.23059474110710 6.941 2 Li 0.18551975765209 0.58388550124081 0.76940525889290 6.941 3 Li 0.41611449875918 0.18551975765209 0.60163425641127 6.941 4 Li 0.58388550124081 0.81448024234791 0.39836574358873 6.941 *5 O 0.91069497196452 0.71121596357417 0.62191093553869 15.999 6 O 0.71121596357417 0.08930502803548 0.80052099160965 15.999 *7 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 8 O 0.08930502803548 0.28878403642583 0.37808906446131 15.999 9 O 0.28878403642583 0.91069497196452 0.19947900839035 15.999 *10 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029-------------------------------- unit cell ---------------------------------Lattice vectors: a 6.674863010000001 0.000000000000000 0.000000000000000 b 0.000000000000000 6.674863010000001 0.000000000000000 c 0.000000000000000 0.000000000000000 4.400310000000000Atomic positions (fractional): *1 Li 0.41611449875918 0.81448024234791 0.00000000000000 6.941 > 1 2 Li 0.58388550124081 0.18551975765209 0.00000000000000 6.941 > 2 3 Li 0.68551975765209 0.91611449875919 0.50000000000000 6.941 > 3 4 Li 0.31448024234791 0.08388550124081 0.50000000000000 6.941 > 4 5 Li 0.91611449875919 0.31448024234791 0.50000000000000 6.941 > 1 6 Li 0.08388550124081 0.68551975765209 0.50000000000000 6.941 > 2 7 Li 0.18551975765209 0.41611449875918 0.00000000000000 6.941 > 3 8 Li 0.81448024234791 0.58388550124081 0.00000000000000 6.941 > 4 *9 O 0.71121596357417 0.91069497196452 0.00000000000000 15.999 > 5 10 O 0.58930502803548 0.21121596357417 0.50000000000000 15.999 > 6 *11 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 7 12 O 0.28878403642583 0.08930502803548 0.00000000000000 15.999 > 8 13 O 0.41069497196452 0.78878403642583 0.50000000000000 15.999 > 9 14 O 0.21121596357417 0.41069497196452 0.50000000000000 15.999 > 5 15 O 0.08930502803548 0.71121596357417 0.00000000000000 15.999 > 6 16 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 7 17 O 0.78878403642583 0.58930502803548 0.50000000000000 15.999 > 8 18 O 0.91069497196452 0.28878403642583 0.00000000000000 15.999 > 9 *19 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 10 20 U 0.50000000000000 0.50000000000000 0.50000000000000 238.029 > 10-------------------------------- super cell --------------------------------Lattice vectors: a 6.674863010000001 0.000000000000000 0.000000000000000 b 0.000000000000000 6.674863010000001 0.000000000000000 c 0.000000000000000 0.000000000000000 8.800620000000000Atomic positions (fractional): *1 Li 0.41611449875918 0.81448024234791 0.00000000000000 6.941 > 1 2 Li 0.41611449875918 0.81448024234791 0.50000000000000 6.941 > 1 3 Li 0.58388550124081 0.18551975765209 0.00000000000000 6.941 > 2 4 Li 0.58388550124081 0.18551975765209 0.50000000000000 6.941 > 2 5 Li 0.68551975765209 0.91611449875919 0.25000000000000 6.941 > 3 6 Li 0.68551975765209 0.91611449875919 0.75000000000000 6.941 > 3 7 Li 0.31448024234791 0.08388550124081 0.25000000000000 6.941 > 4 8 Li 0.31448024234791 0.08388550124081 0.75000000000000 6.941 > 4 9 Li 0.91611449875919 0.31448024234791 0.25000000000000 6.941 > 1 10 Li 0.91611449875919 0.31448024234791 0.75000000000000 6.941 > 1 11 Li 0.08388550124081 0.68551975765209 0.25000000000000 6.941 > 2 12 Li 0.08388550124081 0.68551975765209 0.75000000000000 6.941 > 2 13 Li 0.18551975765209 0.41611449875918 0.00000000000000 6.941 > 3 14 Li 0.18551975765209 0.41611449875918 0.50000000000000 6.941 > 3 15 Li 0.81448024234791 0.58388550124081 0.00000000000000 6.941 > 4 16 Li 0.81448024234791 0.58388550124081 0.50000000000000 6.941 > 4 *17 O 0.71121596357417 0.91069497196452 0.00000000000000 15.999 > 5 18 O 0.71121596357417 0.91069497196452 0.50000000000000 15.999 > 5 19 O 0.58930502803548 0.21121596357417 0.25000000000000 15.999 > 6 20 O 0.58930502803548 0.21121596357417 0.75000000000000 15.999 > 6 *21 O 0.00000000000000 0.00000000000000 0.25000000000000 15.999 > 7 22 O 0.00000000000000 0.00000000000000 0.75000000000000 15.999 > 7 23 O 0.28878403642583 0.08930502803548 0.00000000000000 15.999 > 8 24 O 0.28878403642583 0.08930502803548 0.50000000000000 15.999 > 8 25 O 0.41069497196452 0.78878403642583 0.25000000000000 15.999 > 9 26 O 0.41069497196452 0.78878403642583 0.75000000000000 15.999 > 9 27 O 0.21121596357417 0.41069497196452 0.25000000000000 15.999 > 5 28 O 0.21121596357417 0.41069497196452 0.75000000000000 15.999 > 5 29 O 0.08930502803548 0.71121596357417 0.00000000000000 15.999 > 6 30 O 0.08930502803548 0.71121596357417 0.50000000000000 15.999 > 6 31 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 7 32 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 7 33 O 0.78878403642583 0.58930502803548 0.25000000000000 15.999 > 8 34 O 0.78878403642583 0.58930502803548 0.75000000000000 15.999 > 8 35 O 0.91069497196452 0.28878403642583 0.00000000000000 15.999 > 9 36 O 0.91069497196452 0.28878403642583 0.50000000000000 15.999 > 9 *37 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 10 38 U 0.00000000000000 0.00000000000000 0.50000000000000 238.029 > 10 39 U 0.50000000000000 0.50000000000000 0.25000000000000 238.029 > 10 40 U 0.50000000000000 0.50000000000000 0.75000000000000 238.029 > 10----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.2291340 -0.0000028 0.0000000 0.0000028 4.2291340 0.0000000 0.0000000 0.0000000 4.4953360-------------------------- Born effective charges -------------------------- 1 Li 1.3798274 -0.1495997 0.0000000 -0.0940733 1.0031404 0.0000000 0.0000000 0.0000000 1.0321015 2 Li 1.3798274 -0.1495997 0.0000000 -0.0940733 1.0031404 0.0000000 0.0000000 0.0000000 1.0321015 3 Li 1.0031404 0.0940733 0.0000000 0.1495997 1.3798274 0.0000000 0.0000000 0.0000000 1.0321015 4 Li 1.0031404 0.0940733 0.0000000 0.1495997 1.3798274 0.0000000 0.0000000 0.0000000 1.0321015 5 O -3.0636444 -0.5929104 0.0000000 -0.6539954 -1.4828793 0.0000000 0.0000000 0.0000000 -1.2416676 6 O -1.4828793 0.6539954 0.0000000 0.5929104 -3.0636444 0.0000000 0.0000000 0.0000000 -1.2416676 7 O -1.1535305 -0.1133387 0.0000000 0.1133387 -1.1535305 0.0000000 0.0000000 0.0000000 -5.0164545 8 O -3.0636444 -0.5929104 0.0000000 -0.6539954 -1.4828793 0.0000000 0.0000000 0.0000000 -1.2416676 9 O -1.4828793 0.6539954 0.0000000 0.5929104 -3.0636444 0.0000000 0.0000000 0.0000000 -1.2416676 10 U 5.4806424 0.1022214 0.0000000 -0.1022214 5.4806424 0.0000000 0.0000000 0.0000000 5.8547187----------------------------------------------------------------------------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: 120/120Permutation basis: 2208/2208Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 267Number of blocks in projector: 267Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 4--- Eigsh_solver_block: 1 / 4 ---Block_size: 93Use standard eigh solver.--- Eigsh_solver_block: 2 / 4 ---Block_size: 75Use standard eigh solver.--- Eigsh_solver_block: 3 / 4 ---Block_size: 51Use standard eigh solver.--- Eigsh_solver_block: 4 / 4 ---Block_size: 48Use standard eigh solver.Tree of FC basis block matrices:- (267, 252), data: False|-- (48, 48), data: True|-- (51, 47), data: True|-- (75, 70), data: True|-- (93, 87), data: True-----Solver_atoms: 1 -- 40 / 40Time (Solver_compr_matrix_reshape): 0.001Solver_block: 100 / 160 - Time: 0.104Solver_block: 160 / 160 - Time: 0.065Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.178--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 120/120Permutation basis: 2208/2208Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 267Number of blocks in projector: 267Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 4--- Eigsh_solver_block: 1 / 4 ---Block_size: 93Use standard eigh solver.--- Eigsh_solver_block: 2 / 4 ---Block_size: 75Use standard eigh solver.--- Eigsh_solver_block: 3 / 4 ---Block_size: 51Use standard eigh solver.--- Eigsh_solver_block: 4 / 4 ---Block_size: 48Use standard eigh solver.Tree of FC basis block matrices:- (267, 252), data: False|-- (48, 48), data: True|-- (51, 47), data: True|-- (75, 70), data: True|-- (93, 87), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-07 22:31:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 22:31:07]-------------------------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/m (87)------------------------------ primitive cell ------------------------------Lattice vectors: a -3.337431505000001 3.337431505000001 2.200155000000000 b 3.337431505000001 -3.337431505000001 2.200155000000000 c 3.337431505000001 3.337431505000001 -2.200155000000000Atomic positions (fractional): 1 Li 0.81448024234791 0.41611449875918 0.23059474110710 6.941 2 Li 0.18551975765209 0.58388550124081 0.76940525889290 6.941 3 Li 0.41611449875918 0.18551975765209 0.60163425641127 6.941 4 Li 0.58388550124081 0.81448024234791 0.39836574358873 6.941 5 O 0.91069497196452 0.71121596357417 0.62191093553869 15.999 6 O 0.71121596357417 0.08930502803548 0.80052099160965 15.999 7 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 8 O 0.08930502803548 0.28878403642583 0.37808906446131 15.999 9 O 0.28878403642583 0.91069497196452 0.19947900839035 15.999 10 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029-------------------------------- supercell ---------------------------------Lattice vectors: a 6.674863010000001 0.000000000000000 0.000000000000000 b 0.000000000000000 6.674863010000001 0.000000000000000 c 0.000000000000000 0.000000000000000 8.800620000000000Atomic positions (fractional): 1 Li 0.41611449875918 0.81448024234791 0.00000000000000 6.941 > 1 2 Li 0.41611449875918 0.81448024234791 0.50000000000000 6.941 > 1 3 Li 0.58388550124081 0.18551975765209 0.00000000000000 6.941 > 3 4 Li 0.58388550124081 0.18551975765209 0.50000000000000 6.941 > 3 5 Li 0.68551975765209 0.91611449875919 0.25000000000000 6.941 > 5 6 Li 0.68551975765209 0.91611449875919 0.75000000000000 6.941 > 5 7 Li 0.31448024234791 0.08388550124081 0.25000000000000 6.941 > 7 8 Li 0.31448024234791 0.08388550124081 0.75000000000000 6.941 > 7 9 Li 0.91611449875919 0.31448024234791 0.25000000000000 6.941 > 1 10 Li 0.91611449875919 0.31448024234791 0.75000000000000 6.941 > 1 11 Li 0.08388550124081 0.68551975765209 0.25000000000000 6.941 > 3 12 Li 0.08388550124081 0.68551975765209 0.75000000000000 6.941 > 3 13 Li 0.18551975765209 0.41611449875918 0.00000000000000 6.941 > 5 14 Li 0.18551975765209 0.41611449875918 0.50000000000000 6.941 > 5 15 Li 0.81448024234791 0.58388550124081 0.00000000000000 6.941 > 7 16 Li 0.81448024234791 0.58388550124081 0.50000000000000 6.941 > 7 17 O 0.71121596357417 0.91069497196452 0.00000000000000 15.999 > 17 18 O 0.71121596357417 0.91069497196452 0.50000000000000 15.999 > 17 19 O 0.58930502803548 0.21121596357417 0.25000000000000 15.999 > 19 20 O 0.58930502803548 0.21121596357417 0.75000000000000 15.999 > 19 21 O 0.00000000000000 0.00000000000000 0.25000000000000 15.999 > 21 22 O 0.00000000000000 0.00000000000000 0.75000000000000 15.999 > 21 23 O 0.28878403642583 0.08930502803548 0.00000000000000 15.999 > 23 24 O 0.28878403642583 0.08930502803548 0.50000000000000 15.999 > 23 25 O 0.41069497196452 0.78878403642583 0.25000000000000 15.999 > 25 26 O 0.41069497196452 0.78878403642583 0.75000000000000 15.999 > 25 27 O 0.21121596357417 0.41069497196452 0.25000000000000 15.999 > 17 28 O 0.21121596357417 0.41069497196452 0.75000000000000 15.999 > 17 29 O 0.08930502803548 0.71121596357417 0.00000000000000 15.999 > 19 30 O 0.08930502803548 0.71121596357417 0.50000000000000 15.999 > 19 31 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 21 32 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 21 33 O 0.78878403642583 0.58930502803548 0.25000000000000 15.999 > 23 34 O 0.78878403642583 0.58930502803548 0.75000000000000 15.999 > 23 35 O 0.91069497196452 0.28878403642583 0.00000000000000 15.999 > 25 36 O 0.91069497196452 0.28878403642583 0.50000000000000 15.999 > 25 37 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 37 38 U 0.00000000000000 0.00000000000000 0.50000000000000 238.029 > 37 39 U 0.50000000000000 0.50000000000000 0.25000000000000 238.029 > 37 40 U 0.50000000000000 0.50000000000000 0.75000000000000 238.029 > 37----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.2291340 -0.0000028 0.0000000 0.0000028 4.2291340 0.0000000 0.0000000 0.0000000 4.4953360-------------------------- Born effective charges -------------------------- 1 Li 1.3798274 -0.1495997 0.0000000 -0.0940733 1.0031404 0.0000000 0.0000000 0.0000000 1.0321015 2 Li 1.3798274 -0.1495997 0.0000000 -0.0940733 1.0031404 0.0000000 0.0000000 0.0000000 1.0321015 3 Li 1.0031404 0.0940733 0.0000000 0.1495997 1.3798274 0.0000000 0.0000000 0.0000000 1.0321015 4 Li 1.0031404 0.0940733 0.0000000 0.1495997 1.3798274 0.0000000 0.0000000 0.0000000 1.0321015 5 O -3.0636444 -0.5929104 0.0000000 -0.6539954 -1.4828793 0.0000000 0.0000000 0.0000000 -1.2416676 6 O -1.4828793 0.6539954 0.0000000 0.5929104 -3.0636444 0.0000000 0.0000000 0.0000000 -1.2416676 7 O -1.1535305 -0.1133387 0.0000000 0.1133387 -1.1535305 0.0000000 0.0000000 0.0000000 -5.0164545 8 O -3.0636444 -0.5929104 0.0000000 -0.6539954 -1.4828793 0.0000000 0.0000000 0.0000000 -1.2416676 9 O -1.4828793 0.6539954 0.0000000 0.5929104 -3.0636444 0.0000000 0.0000000 0.0000000 -1.2416676 10 U 5.4806424 0.1022214 0.0000000 -0.1022214 5.4806424 0.0000000 0.0000000 0.0000000 5.8547187----------------------------------------------------------------------------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[ 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[ 21, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 37, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: 0.00000024 (xxx) 0.00000024 (xxx) 0.00000024 (xxx)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000002 (xy) -0.00000002 (xy) 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 2026-01-07 22:31:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 22:31:11]-------------------------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/m (87)------------------------------ primitive cell ------------------------------Lattice vectors: a -3.337431505000001 3.337431505000001 2.200155000000000 b 3.337431505000001 -3.337431505000001 2.200155000000000 c 3.337431505000001 3.337431505000001 -2.200155000000000Atomic positions (fractional): 1 Li 0.81448024234791 0.41611449875918 0.23059474110710 6.941 2 Li 0.18551975765209 0.58388550124081 0.76940525889290 6.941 3 Li 0.41611449875918 0.18551975765209 0.60163425641127 6.941 4 Li 0.58388550124081 0.81448024234791 0.39836574358873 6.941 5 O 0.91069497196452 0.71121596357417 0.62191093553869 15.999 6 O 0.71121596357417 0.08930502803548 0.80052099160965 15.999 7 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 8 O 0.08930502803548 0.28878403642583 0.37808906446131 15.999 9 O 0.28878403642583 0.91069497196452 0.19947900839035 15.999 10 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029-------------------------------- supercell ---------------------------------Lattice vectors: a 6.674863010000001 0.000000000000000 0.000000000000000 b 0.000000000000000 6.674863010000001 0.000000000000000 c 0.000000000000000 0.000000000000000 8.800620000000000Atomic positions (fractional): 1 Li 0.41611449875918 0.81448024234791 0.00000000000000 6.941 > 1 2 Li 0.41611449875918 0.81448024234791 0.50000000000000 6.941 > 1 3 Li 0.58388550124081 0.18551975765209 0.00000000000000 6.941 > 3 4 Li 0.58388550124081 0.18551975765209 0.50000000000000 6.941 > 3 5 Li 0.68551975765209 0.91611449875919 0.25000000000000 6.941 > 5 6 Li 0.68551975765209 0.91611449875919 0.75000000000000 6.941 > 5 7 Li 0.31448024234791 0.08388550124081 0.25000000000000 6.941 > 7 8 Li 0.31448024234791 0.08388550124081 0.75000000000000 6.941 > 7 9 Li 0.91611449875919 0.31448024234791 0.25000000000000 6.941 > 1 10 Li 0.91611449875919 0.31448024234791 0.75000000000000 6.941 > 1 11 Li 0.08388550124081 0.68551975765209 0.25000000000000 6.941 > 3 12 Li 0.08388550124081 0.68551975765209 0.75000000000000 6.941 > 3 13 Li 0.18551975765209 0.41611449875918 0.00000000000000 6.941 > 5 14 Li 0.18551975765209 0.41611449875918 0.50000000000000 6.941 > 5 15 Li 0.81448024234791 0.58388550124081 0.00000000000000 6.941 > 7 16 Li 0.81448024234791 0.58388550124081 0.50000000000000 6.941 > 7 17 O 0.71121596357417 0.91069497196452 0.00000000000000 15.999 > 17 18 O 0.71121596357417 0.91069497196452 0.50000000000000 15.999 > 17 19 O 0.58930502803548 0.21121596357417 0.25000000000000 15.999 > 19 20 O 0.58930502803548 0.21121596357417 0.75000000000000 15.999 > 19 21 O 0.00000000000000 0.00000000000000 0.25000000000000 15.999 > 21 22 O 0.00000000000000 0.00000000000000 0.75000000000000 15.999 > 21 23 O 0.28878403642583 0.08930502803548 0.00000000000000 15.999 > 23 24 O 0.28878403642583 0.08930502803548 0.50000000000000 15.999 > 23 25 O 0.41069497196452 0.78878403642583 0.25000000000000 15.999 > 25 26 O 0.41069497196452 0.78878403642583 0.75000000000000 15.999 > 25 27 O 0.21121596357417 0.41069497196452 0.25000000000000 15.999 > 17 28 O 0.21121596357417 0.41069497196452 0.75000000000000 15.999 > 17 29 O 0.08930502803548 0.71121596357417 0.00000000000000 15.999 > 19 30 O 0.08930502803548 0.71121596357417 0.50000000000000 15.999 > 19 31 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 21 32 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 21 33 O 0.78878403642583 0.58930502803548 0.25000000000000 15.999 > 23 34 O 0.78878403642583 0.58930502803548 0.75000000000000 15.999 > 23 35 O 0.91069497196452 0.28878403642583 0.00000000000000 15.999 > 25 36 O 0.91069497196452 0.28878403642583 0.50000000000000 15.999 > 25 37 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 37 38 U 0.00000000000000 0.00000000000000 0.50000000000000 238.029 > 37 39 U 0.50000000000000 0.50000000000000 0.25000000000000 238.029 > 37 40 U 0.50000000000000 0.50000000000000 0.75000000000000 238.029 > 37----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 4.2291340 -0.0000028 0.0000000 0.0000028 4.2291340 0.0000000 0.0000000 0.0000000 4.4953360-------------------------- Born effective charges -------------------------- 1 Li 1.3798274 -0.1495997 0.0000000 -0.0940733 1.0031404 0.0000000 0.0000000 0.0000000 1.0321015 2 Li 1.3798274 -0.1495997 0.0000000 -0.0940733 1.0031404 0.0000000 0.0000000 0.0000000 1.0321015 3 Li 1.0031404 0.0940733 0.0000000 0.1495997 1.3798274 0.0000000 0.0000000 0.0000000 1.0321015 4 Li 1.0031404 0.0940733 0.0000000 0.1495997 1.3798274 0.0000000 0.0000000 0.0000000 1.0321015 5 O -3.0636444 -0.5929104 0.0000000 -0.6539954 -1.4828793 0.0000000 0.0000000 0.0000000 -1.2416676 6 O -1.4828793 0.6539954 0.0000000 0.5929104 -3.0636444 0.0000000 0.0000000 0.0000000 -1.2416676 7 O -1.1535305 -0.1133387 0.0000000 0.1133387 -1.1535305 0.0000000 0.0000000 0.0000000 -5.0164545 8 O -3.0636444 -0.5929104 0.0000000 -0.6539954 -1.4828793 0.0000000 0.0000000 0.0000000 -1.2416676 9 O -1.4828793 0.6539954 0.0000000 0.5929104 -3.0636444 0.0000000 0.0000000 0.0000000 -1.2416676 10 U 5.4806424 0.1022214 0.0000000 -0.1022214 5.4806424 0.0000000 0.0000000 0.0000000 5.8547187----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000024 (xxx) 0.00000024 (xxx) 0.00000024 (xxx)Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... Generalized regular grid: [ 1 7 154 ]Grid generation matrix: [ 0 7 7 ] [ -7 0 -7 ] [ -11 -11 0 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.90, Number of G-points: 303, Lambda: 0.20Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/156) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 156Calculating 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 5.947 ( 0.000 0.000 0.000) 0.000 5.966 ( 0.000 0.000 0.000) 0.000 6.293 ( 0.000 0.000 0.000) 0.000 6.293 ( 0.000 0.000 0.000) 0.000 6.683 ( 0.000 0.000 0.000) 0.000 6.683 ( 0.000 0.000 0.000) 0.000 6.808 ( 0.000 0.000 0.000) 0.000 7.408 ( 0.000 0.000 0.000) 0.000 8.187 ( 0.000 0.000 0.000) 0.000 8.187 ( 0.000 0.000 0.000) 0.000 8.460 ( 0.000 0.000 0.000) 0.000 9.469 ( 0.000 0.000 0.000) 0.000 9.469 ( 0.000 0.000 0.000) 0.000 10.383 ( 0.000 0.000 0.000) 0.000 10.383 ( 0.000 0.000 0.000) 0.000 10.430 ( 0.000 0.000 0.000) 0.000 11.290 ( 0.000 0.000 0.000) 0.000 11.872 ( 0.000 0.000 0.000) 0.000 12.458 ( 0.000 0.000 0.000) 0.000 12.707 ( 0.000 0.000 0.000) 0.000 12.707 ( 0.000 0.000 0.000) 0.000 13.370 ( 0.000 0.000 0.000) 0.000 14.703 ( 0.000 0.000 0.000) 0.000 16.025 ( 0.000 0.000 0.000) 0.000 17.777 ( 0.000 0.000 0.000) 0.000 17.777 ( 0.000 0.000 0.000) 0.000 21.285 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/156) =======================q-point: ( 0.00 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.580 ( 29.822 -2.043 -0.000) 29.892 0.974 ( 21.687 22.024 0.000) 30.909 1.461 ( 26.311 36.946 0.000) 45.358 5.676 ( -9.765 -8.441 0.000) 12.908 5.911 ( -1.504 -1.628 -0.000) 2.217 6.223 ( -2.917 -2.787 0.000) 4.035 6.298 ( 0.213 0.119 -0.000) 0.244 6.702 ( -1.934 1.847 0.000) 2.675 6.869 ( 2.306 2.280 -0.000) 3.243 7.099 ( 12.330 7.804 -0.000) 14.592 7.385 ( -0.735 -0.878 -0.000) 1.145 8.065 ( -1.763 -9.098 -0.000) 9.268 8.406 ( -6.585 1.126 0.000) 6.680 9.055 ( -6.207 -12.506 -0.000) 13.962 9.367 ( -3.049 -2.822 0.000) 4.155 10.027 ( -13.761 -12.690 0.000) 18.719 10.035 ( -6.029 -7.918 -0.000) 9.952 10.399 ( 1.086 0.238 -0.000) 1.111 10.799 ( 9.164 8.185 -0.000) 12.287 11.544 ( 8.612 8.543 -0.000) 12.130 11.829 ( 1.335 -4.642 -0.000) 4.830 12.372 ( -3.998 -4.489 -0.000) 6.011 12.810 ( -5.785 14.548 0.000) 15.656 13.227 ( -6.576 -5.231 0.000) 8.403 13.947 ( 0.112 -11.454 -0.000) 11.455 14.720 ( 0.751 0.772 0.000) 1.077 16.242 ( 10.203 6.370 -0.000) 12.029 17.830 ( 3.619 0.959 -0.000) 3.744 21.314 ( 1.848 1.280 -0.000) 2.248 22.713 ( -6.264 0.895 0.000) 6.327======================= Grid point 2 (3/156) =======================q-point: ( 0.00 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.165 ( 25.122 0.222 -0.000) 25.123 1.821 ( 16.505 17.431 0.000) 24.005 2.609 ( 18.331 23.887 0.000) 30.110 5.388 ( -5.658 -1.265 0.000) 5.798 5.830 ( -1.595 -2.362 -0.000) 2.850 6.085 ( -3.449 -3.067 0.000) 4.615 6.303 ( 0.079 0.020 -0.000) 0.081 6.742 ( -1.953 6.706 0.000) 6.985 6.949 ( 1.018 0.858 -0.000) 1.331 7.383 ( 1.519 0.857 -0.000) 1.744 7.469 ( 11.711 -0.552 -0.000) 11.724 7.753 ( -6.428 -9.758 -0.000) 11.685 8.194 ( -6.253 -8.445 -0.000) 10.508 8.562 ( -13.016 -8.971 0.000) 15.808 9.290 ( -0.617 -0.434 0.000) 0.754 9.433 ( -14.277 -12.272 0.000) 18.826 9.837 ( 0.186 -4.672 -0.000) 4.675 10.432 ( 1.241 0.271 -0.000) 1.271 11.068 ( 5.915 -0.804 -0.000) 5.970 11.783 ( 2.299 -1.665 -0.000) 2.839 11.876 ( 6.493 6.225 -0.000) 8.995 12.138 ( -9.765 -0.916 0.000) 9.807 12.954 ( -9.749 -2.103 0.000) 9.974 13.011 ( -4.582 12.431 0.000) 13.249 13.697 ( 4.425 -14.800 -0.000) 15.448 14.759 ( 0.892 0.975 0.000) 1.322 16.561 ( 9.750 0.790 -0.000) 9.782 17.958 ( 3.311 3.793 0.000) 5.035 21.435 ( 5.673 2.418 -0.000) 6.167 22.550 ( -10.158 0.723 0.000) 10.184======================= Grid point 3 (4/156) =======================q-point: ( 0.00 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.573 ( 10.235 0.454 -0.000) 10.245 2.350 ( 6.469 7.097 0.000) 9.603 3.221 ( 6.723 7.792 0.000) 10.292 5.370 ( -0.359 3.019 0.000) 3.040 5.763 ( -0.490 -1.317 -0.000) 1.405 5.974 ( -1.786 -1.345 0.000) 2.236 6.303 ( -0.013 -0.020 -0.000) 0.024 6.884 ( -1.353 7.829 0.000) 7.945 6.952 ( -0.215 -0.367 -0.000) 0.425 7.248 ( -5.475 -10.943 -0.000) 12.236 7.468 ( 2.127 1.553 -0.000) 2.634 7.732 ( 4.847 -3.538 -0.000) 6.001 7.950 ( 5.458 -5.831 -0.000) 7.987 8.197 ( -13.361 0.195 0.000) 13.362 8.991 ( -6.768 -5.491 0.000) 8.715 9.308 ( 0.372 1.153 0.000) 1.212 9.807 ( 1.358 -1.029 -0.000) 1.704 10.456 ( 0.517 0.113 -0.000) 0.529 11.021 ( 0.004 -5.002 -0.000) 5.002 11.854 ( 2.160 1.180 -0.000) 2.461 12.005 ( -3.587 1.729 0.000) 3.982 12.063 ( 2.327 2.157 -0.000) 3.173 12.751 ( -5.194 -0.579 0.000) 5.226 13.107 ( -3.061 4.226 0.000) 5.218 13.558 ( 3.716 -6.185 -0.000) 7.216 14.790 ( 0.382 0.438 0.000) 0.581 16.674 ( 3.216 -1.810 -0.000) 3.690 18.095 ( 1.460 2.739 0.000) 3.104 21.618 ( 5.244 1.500 -0.000) 5.454 22.354 ( -6.904 -0.002 0.000) 6.904======================= Grid point 7 (5/156) =======================q-point: ( 0.28 -0.01 0.01)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.415 ( 9.003 -7.405 10.627) 15.774 2.166 ( -9.174 12.313 17.860) 23.552 3.692 ( 1.171 5.499 32.535) 33.017 5.507 ( -3.247 -3.373 -9.145) 10.274 5.574 ( 2.878 2.628 -11.576) 12.214 5.979 ( 3.783 -1.249 1.027) 4.114 6.668 ( 2.780 -9.553 3.370) 10.505 6.897 ( -2.806 -4.836 6.405) 8.502 6.935 ( -1.295 -8.638 6.064) 10.633 7.308 ( -2.649 5.328 0.875) 6.014 7.743 ( -8.513 -9.594 -6.289) 14.285 7.886 ( 5.019 7.675 4.644) 10.279 8.422 ( 12.769 0.095 3.506) 13.242 8.835 ( -6.945 -3.796 -11.267) 13.769 9.046 ( 0.332 -4.170 -5.474) 6.890 9.532 ( 0.064 7.856 -4.829) 9.222 9.761 ( -8.351 -8.774 -2.950) 12.467 10.298 ( 14.220 -8.291 1.763) 16.554 10.742 ( -11.889 11.833 -10.380) 19.726 11.060 ( 2.642 12.334 -3.124) 12.995 12.028 ( -0.765 -6.766 3.401) 7.611 12.278 ( 2.471 -6.061 -1.568) 6.731 12.765 ( -7.217 -2.890 -0.060) 7.774 12.915 ( 8.283 3.123 -1.593) 8.994 13.615 ( -2.569 -3.266 7.012) 8.151 16.512 ( 11.385 -21.874 12.938) 27.847 17.165 ( -14.317 -1.740 24.654) 28.563 18.244 ( 1.275 6.520 6.707) 9.440 20.294 ( 2.039 11.488 -25.805) 28.320 22.588 ( 0.594 5.052 6.344) 8.132======================= Grid point 8 (6/156) =======================q-point: ( 0.28 -0.01 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.680 ( 12.437 5.280 -1.351) 13.578 2.190 ( -11.646 15.426 8.335) 21.049 3.774 ( -0.668 0.133 24.855) 24.864 5.362 ( -1.714 -2.834 -5.907) 6.772 5.707 ( 2.814 0.946 -8.842) 9.327 6.095 ( 0.380 6.874 -2.692) 7.393 6.519 ( 0.809 -8.940 2.194) 9.241 6.688 ( -5.078 -3.036 9.341) 11.057 6.762 ( 0.647 -4.562 5.551) 7.214 7.297 ( -4.787 -0.643 -0.478) 4.853 7.575 ( 1.622 1.085 0.893) 2.146 8.070 ( 2.979 -1.371 0.528) 3.322 8.540 ( 0.875 -5.641 8.337) 10.104 8.640 ( -8.170 6.152 -6.792) 12.277 8.888 ( -9.517 -6.449 -6.136) 13.031 9.464 ( 9.434 -7.164 1.358) 11.923 9.707 ( 2.596 0.381 2.639) 3.722 10.262 ( 2.795 -8.388 2.580) 9.210 10.848 ( 3.284 3.111 -6.115) 7.606 11.333 ( 3.680 3.975 -7.766) 9.468 11.798 ( -2.172 -5.140 -1.112) 5.690 12.369 ( 2.802 4.012 1.531) 5.127 12.560 ( -4.336 -1.589 -5.403) 7.108 13.060 ( 5.246 -8.613 -0.106) 10.086 13.485 ( -6.205 5.454 4.347) 9.335 16.181 ( -8.614 -11.835 15.844) 21.570 16.952 ( -9.750 9.372 15.873) 20.853 18.452 ( 3.583 6.060 9.458) 11.791 20.533 ( 8.684 -1.135 -21.258) 22.992 22.695 ( 2.390 0.882 5.183) 5.775======================= Grid point 9 (7/156) =======================q-point: ( 0.28 -0.01 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.950 ( -2.649 9.254 4.457) 10.608 2.416 ( 0.916 11.863 -14.380) 18.664 3.678 ( -6.669 0.216 22.096) 23.081 5.347 ( 1.615 1.665 -4.863) 5.388 5.644 ( -3.338 -4.617 -3.547) 6.711 6.238 ( -9.012 -1.364 -5.388) 10.588 6.338 ( 4.188 4.673 2.789) 6.867 6.652 ( 1.352 1.506 7.116) 7.398 6.824 ( 8.269 -2.013 5.223) 9.985 7.231 ( 1.275 2.182 1.487) 2.932 7.553 ( -5.860 -1.878 2.107) 6.505 7.973 ( -1.078 -7.283 -4.809) 8.794 8.422 ( -2.107 -6.477 5.637) 8.841 8.564 ( -3.070 0.018 -0.397) 3.096 8.674 ( -5.729 9.048 1.655) 10.836 9.620 ( 7.781 -2.136 -4.478) 9.228 9.734 ( 6.552 -7.991 9.803) 14.243 10.126 ( -0.007 -5.610 8.524) 10.204 11.006 ( 13.595 -3.117 0.802) 13.971 11.398 ( 5.267 -4.576 -16.245) 17.680 11.744 ( 0.593 -1.928 0.083) 2.019 12.321 ( -4.571 -0.399 -0.886) 4.674 12.729 ( 3.689 10.963 -4.533) 12.424 12.797 ( -4.613 -11.161 3.667) 12.621 13.567 ( -3.235 6.766 -0.659) 7.528 15.785 ( -15.788 1.835 17.503) 23.643 17.054 ( -4.463 12.303 6.878) 14.784 18.602 ( 0.883 2.665 12.127) 12.447 20.619 ( 9.738 -8.915 -19.355) 23.429 22.719 ( 1.762 -2.394 6.691) 7.321======================= Grid point 10 (8/156) =======================q-point: ( 0.28 -0.01 -0.56)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.899 ( -13.625 -0.968 -5.873) 14.869 2.548 ( -4.957 5.800 -7.577) 10.753 3.634 ( -1.304 4.674 22.199) 22.723 5.422 ( -1.994 1.023 -4.523) 5.047 5.553 ( 4.834 -0.290 -3.159) 5.783 5.965 ( -7.973 -2.458 -1.198) 8.429 6.580 ( 0.116 4.048 -4.280) 5.892 6.633 ( 0.964 -1.429 12.152) 12.274 6.892 ( 3.922 -3.800 5.319) 7.624 7.424 ( -1.586 1.407 -0.054) 2.121 7.543 ( 7.419 14.457 3.742) 16.675 7.800 ( 0.026 -6.748 -5.893) 8.959 8.228 ( -0.678 -6.776 1.641) 7.005 8.652 ( 0.457 6.346 4.733) 7.930 8.799 ( -0.178 8.570 -0.042) 8.572 9.569 ( -1.505 -7.131 -5.350) 9.042 9.690 ( 7.815 -7.893 5.365) 12.335 10.088 ( 6.137 -5.622 11.302) 14.036 11.299 ( 12.713 -0.422 -0.692) 12.739 11.398 ( 6.629 -5.738 -14.462) 16.912 11.632 ( -3.623 -5.132 1.619) 6.487 12.253 ( -7.612 3.872 -5.310) 10.057 12.547 ( 1.512 -5.082 4.072) 6.685 13.015 ( 3.745 5.864 0.586) 6.982 13.564 ( -5.916 3.232 -1.829) 6.985 15.649 ( -7.031 9.200 16.464) 20.128 17.235 ( -6.444 14.360 5.852) 16.793 18.585 ( -2.840 -2.255 13.261) 13.748 20.580 ( 7.798 -11.881 -20.037) 24.565 22.693 ( 1.473 -2.850 7.898) 8.525======================= Grid point 11 (9/156) =======================q-point: ( 0.28 -0.01 -0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.451 ( -13.216 -5.518 -7.433) 16.136 2.490 ( -10.621 2.591 8.734) 13.993 3.720 ( 0.701 1.525 25.119) 25.175 5.431 ( 2.589 1.127 -2.161) 3.556 5.618 ( 0.554 -2.577 -11.047) 11.357 5.891 ( -2.779 5.904 -1.379) 6.670 6.482 ( 2.051 -1.670 5.912) 6.476 6.796 ( 4.072 2.186 8.707) 9.858 6.886 ( 4.031 -3.446 3.500) 6.354 7.429 ( -5.272 2.953 0.594) 6.072 7.719 ( 8.868 -9.261 -6.725) 14.478 7.931 ( -3.606 9.888 -0.351) 10.530 8.151 ( 2.154 3.583 8.001) 9.027 8.831 ( 6.187 2.769 -0.712) 6.816 8.932 ( -2.515 3.510 -8.838) 9.837 9.530 ( 4.036 1.465 3.172) 5.338 9.716 ( 11.644 -6.606 -4.999) 14.290 10.072 ( 1.793 -3.502 6.759) 7.821 11.201 ( -5.689 -11.544 -14.117) 19.103 11.288 ( -8.379 -2.620 -1.776) 8.957 11.768 ( 11.690 4.505 3.794) 13.090 12.175 ( -3.413 3.293 -3.922) 6.155 12.648 ( 7.343 2.005 2.658) 8.062 13.024 ( -3.025 -5.190 -1.605) 6.218 13.566 ( -0.643 3.908 2.784) 4.841 15.898 ( 8.751 12.359 15.887) 21.948 17.327 ( -7.371 6.346 14.115) 17.142 18.414 ( -5.389 -4.110 9.672) 11.810 20.462 ( 1.411 -8.010 -21.855) 23.320 22.660 ( -0.469 -1.608 6.936) 7.136======================= Grid point 13 (10/156) =======================q-point: ( 0.28 -0.01 -0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.661 ( -5.102 -16.035 20.296) 26.365 1.907 ( 7.694 13.451 19.195) 24.669 3.609 ( -6.819 5.871 36.649) 37.737 5.489 ( 1.894 -1.284 -11.274) 11.503 5.592 ( -3.366 3.369 -13.433) 14.252 6.017 ( 3.393 -6.398 4.166) 8.355 6.779 ( 2.843 -5.371 3.875) 7.207 6.968 ( 6.459 -0.805 4.799) 8.087 7.060 ( -1.237 -3.578 -0.023) 3.786 7.234 ( 6.081 -1.515 1.914) 6.553 7.722 ( 2.015 -1.691 1.663) 3.112 7.971 ( 4.495 2.879 -0.588) 5.370 8.359 ( -6.740 -8.953 -3.579) 11.764 8.990 ( 12.093 -0.822 -3.579) 12.638 9.008 ( -2.451 -0.860 -7.299) 7.748 9.352 ( -11.278 10.243 -7.121) 16.817 9.999 ( 14.084 2.603 -5.154) 15.222 10.216 ( -14.061 -9.171 -10.245) 19.667 10.743 ( 5.873 10.613 2.126) 12.315 10.869 ( -12.131 3.437 -3.338) 13.043 12.061 ( 1.506 -1.640 3.316) 3.994 12.416 ( 3.882 -4.391 -2.190) 6.257 12.720 ( 6.034 -2.335 0.209) 6.474 12.946 ( -6.911 1.894 0.241) 7.170 13.642 ( 3.970 -1.972 7.461) 8.679 16.761 ( 2.514 -15.424 21.663) 26.711 17.219 ( 27.085 -11.510 12.037) 31.796 18.188 ( -5.417 4.338 10.775) 12.816 20.124 ( -17.248 15.379 -28.424) 36.633 22.520 ( -4.788 4.416 7.807) 10.168======================= Grid point 14 (11/156) =======================q-point: (-0.44 -0.01 0.01)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 540Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.343 ( -3.974 12.656 -1.534) 13.353 2.813 ( 3.216 -3.151 -4.664) 6.482 4.562 ( -1.016 2.834 -9.253) 9.730 5.074 ( 1.862 0.994 5.720) 6.097 5.362 ( -1.550 -2.837 2.051) 3.829 6.078 ( -1.687 0.682 -2.030) 2.726 6.545 ( 0.602 5.578 1.262) 5.751 6.947 ( -0.036 -0.191 0.870) 0.891 7.063 ( 1.977 3.172 -3.675) 5.242 7.380 ( 2.413 -0.209 0.785) 2.546 7.581 ( -2.044 -6.015 -2.508) 6.830 7.894 ( -0.413 4.041 4.863) 6.336 8.448 ( 2.009 -3.717 2.927) 5.140 8.710 ( -10.838 2.252 -6.324) 12.749 8.828 ( 5.485 -3.596 3.806) 7.583 9.346 ( 2.829 2.149 2.854) 4.557 9.812 ( -1.855 -1.089 -2.754) 3.494 10.201 ( -0.387 7.364 0.093) 7.375 10.463 ( 2.314 -8.586 6.713) 11.142 11.254 ( -0.389 -10.725 1.474) 10.832 11.790 ( 0.958 11.299 0.078) 11.340 12.376 ( -4.161 0.819 -4.024) 5.846 12.600 ( 7.203 -1.004 4.273) 8.435 12.909 ( -4.517 1.214 -0.323) 4.689 13.767 ( 1.086 2.338 -2.370) 3.502 16.469 ( -2.228 9.378 -2.611) 9.987 18.039 ( 5.161 -1.714 -10.454) 11.784 18.558 ( -2.360 -2.050 -2.446) 3.969 19.657 ( -1.010 -4.309 9.486) 10.467 22.815 ( -0.076 -1.327 -1.274) 1.841======================= Grid point 15 (12/156) =======================q-point: (-0.44 -0.01 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 540Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.798 ( 2.543 26.475 -10.536) 28.607 2.617 ( -14.338 -4.998 -5.027) 15.995 4.581 ( -4.703 5.133 -8.335) 10.859 5.187 ( 4.039 0.778 4.199) 5.877 5.263 ( 0.642 -4.216 1.176) 4.423 6.089 ( -3.222 5.985 -5.335) 8.641 6.731 ( 1.653 7.605 2.312) 8.119 6.895 ( -5.203 0.094 6.119) 8.033 7.078 ( -0.795 -1.166 -3.066) 3.375 7.363 ( 1.123 -7.510 -2.147) 7.891 7.622 ( 5.013 6.381 7.406) 10.986 7.831 ( -5.170 -0.422 -0.627) 5.225 8.340 ( 0.694 -8.917 6.754) 11.208 8.567 ( -5.545 4.164 -6.685) 9.632 8.847 ( -0.080 3.325 2.930) 4.432 9.654 ( 17.889 1.454 5.933) 18.903 9.704 ( -4.471 -0.319 -3.168) 5.489 10.034 ( 0.343 -21.352 1.938) 21.442 10.650 ( 11.591 6.211 6.167) 14.525 10.965 ( -4.163 -9.378 1.809) 10.418 12.005 ( -1.498 6.042 3.858) 7.324 12.300 ( -1.277 -1.361 -1.595) 2.455 12.747 ( -2.833 -1.859 0.270) 3.399 12.851 ( 3.420 6.174 0.959) 7.122 13.811 ( -5.470 5.069 -3.317) 8.162 16.746 ( -8.387 25.322 -4.787) 27.101 17.657 ( -21.685 -2.535 -5.783) 22.586 18.848 ( 19.696 -3.602 -12.982) 23.863 19.485 ( 4.686 -13.017 14.750) 20.223 22.790 ( 2.644 -3.334 -1.152) 4.409======================= Grid point 16 (13/156) =======================q-point: (-0.44 -0.01 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 540Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.986 ( -25.371 -8.815 -5.019) 27.323 2.440 ( 4.955 20.412 -10.281) 23.386 4.593 ( -4.577 4.978 -6.909) 9.668 5.127 ( -1.429 -3.427 1.399) 3.968 5.317 ( 4.729 -1.467 3.320) 5.961 6.138 ( -3.754 3.120 -3.839) 6.210 6.714 ( -8.730 -1.057 3.819) 9.588 6.891 ( 0.946 4.105 2.667) 4.986 7.073 ( -2.570 3.109 -2.465) 4.727 7.313 ( 3.548 -1.903 -2.161) 4.570 7.538 ( 0.388 -3.571 0.012) 3.592 8.037 ( -3.148 1.211 9.754) 10.320 8.212 ( 9.058 1.021 -1.403) 9.222 8.637 ( -3.024 9.279 3.991) 10.544 8.887 ( -0.208 -2.048 -1.214) 2.390 9.565 ( -1.766 -16.753 2.537) 17.036 9.683 ( 2.983 0.993 -3.049) 4.380 10.102 ( 19.883 0.646 6.714) 20.996 10.601 ( -9.671 -10.130 2.130) 14.166 10.994 ( 10.508 2.348 2.203) 10.990 11.990 ( -7.600 2.011 1.693) 8.041 12.342 ( 6.989 0.363 3.193) 7.692 12.564 ( -9.793 0.986 -1.548) 9.964 13.029 ( 2.533 -1.459 0.492) 2.964 13.774 ( -7.085 5.847 -3.933) 9.993 16.815 ( -24.312 8.092 1.420) 25.663 17.565 ( 1.064 20.493 -13.362) 24.488 18.858 ( 3.413 -17.902 -12.874) 22.313 19.505 ( 14.131 -5.035 16.599) 22.373 22.792 ( 3.410 -2.652 -1.036) 4.442======================= Grid point 18 (14/156) =======================q-point: (-0.44 -0.01 0.58)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 540Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.518 ( 20.728 7.517 2.769) 22.222 2.673 ( -2.086 -16.122 3.651) 16.661 4.460 ( 1.892 -6.244 -9.583) 11.594 5.156 ( 0.544 5.483 5.531) 7.808 5.365 ( -1.140 -0.452 1.015) 1.592 6.095 ( 5.231 -2.057 -0.165) 5.623 6.521 ( 0.528 1.812 -1.787) 2.600 6.907 ( -2.475 -1.505 -1.440) 3.235 7.039 ( -0.313 0.131 -2.004) 2.033 7.382 ( -1.041 -0.434 1.437) 1.827 7.613 ( -0.246 -0.766 -0.205) 0.830 7.887 ( 0.086 1.500 0.234) 1.521 8.336 ( -7.283 -9.142 -6.248) 13.254 8.544 ( 2.885 -0.676 3.569) 4.639 8.930 ( 1.753 -1.910 1.708) 3.104 9.472 ( -0.003 0.919 -1.116) 1.446 9.695 ( -0.991 9.126 -4.342) 10.154 10.366 ( -0.760 9.996 -7.469) 12.501 10.531 ( -7.990 6.926 11.343) 15.507 11.226 ( -12.609 0.570 -0.694) 12.641 11.784 ( 8.845 -0.935 0.217) 8.897 12.296 ( 4.241 -8.012 -3.131) 9.590 12.551 ( -6.165 4.033 0.237) 7.370 13.026 ( 3.024 3.819 0.818) 4.940 13.693 ( 3.409 -7.347 0.021) 8.100 16.364 ( 9.071 -7.827 -6.497) 13.629 17.734 ( 1.052 -21.683 1.725) 21.777 18.945 ( 0.891 21.333 -7.782) 22.725 19.635 ( -6.189 1.374 9.175) 11.152 22.838 ( -1.694 2.504 -1.909) 3.576======================= Grid point 19 (15/156) =======================q-point: ( 0.56 -0.01 -0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 540Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.096 ( 0.719 -16.828 7.523) 18.447 2.229 ( 18.618 -3.288 3.421) 19.213 4.422 ( 7.079 -5.782 -8.188) 12.271 5.274 ( -5.385 -1.527 -0.211) 5.602 5.305 ( 1.175 6.054 4.995) 7.936 6.129 ( 4.135 -5.377 4.797) 8.308 6.584 ( 3.045 -1.272 -7.999) 8.654 6.798 ( -4.408 -0.176 -1.117) 4.551 7.074 ( 1.897 0.971 -0.678) 2.236 7.407 ( 0.969 3.114 0.795) 3.357 7.552 ( -3.726 -3.080 -4.442) 6.565 7.803 ( 2.484 -5.757 -0.148) 6.272 8.218 ( -0.986 7.042 -3.498) 7.924 8.624 ( 4.136 1.604 6.892) 8.196 8.836 ( -2.357 -5.548 -1.296) 6.165 9.486 ( 6.350 -4.284 -2.267) 7.988 9.956 ( -12.253 14.720 -9.887) 21.554 10.275 ( -9.890 8.657 10.986) 17.131 10.687 ( -6.175 9.427 -8.392) 14.051 10.960 ( -8.177 1.439 2.599) 8.700 11.878 ( 2.541 -2.897 -4.064) 5.601 12.255 ( 5.875 -3.560 1.498) 7.031 12.671 ( 2.633 7.466 -0.049) 7.917 12.945 ( -6.549 -6.670 -1.758) 9.512 13.688 ( 9.460 -6.969 1.517) 11.847 16.440 ( 17.502 -14.852 -5.707) 23.653 17.439 ( 6.637 -9.489 2.585) 11.865 19.226 ( -7.156 4.824 -18.552) 20.461 19.554 ( -8.237 11.177 20.323) 24.613 22.848 ( -3.270 3.361 -2.059) 5.121======================= Grid point 20 (16/156) =======================q-point: (-0.44 -0.01 -0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 540Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.521 ( -8.159 -14.497 9.481) 19.147 2.660 ( 16.897 -3.022 -2.798) 17.392 4.495 ( 6.163 -1.927 -7.348) 9.782 5.113 ( -4.922 -1.279 1.509) 5.305 5.410 ( -0.872 2.053 5.636) 6.061 6.093 ( 1.876 -2.589 3.065) 4.429 6.530 ( -2.004 -2.187 -3.442) 4.544 6.832 ( 3.458 3.367 -3.607) 6.025 7.086 ( -1.111 -2.970 -4.900) 5.837 7.349 ( 0.554 -0.911 -3.515) 3.673 7.591 ( 2.699 3.435 2.491) 5.029 7.848 ( -1.120 2.737 0.096) 2.959 8.440 ( 2.555 6.827 1.252) 7.396 8.642 ( 6.055 -8.058 5.283) 11.380 8.799 ( 2.014 3.765 -1.283) 4.458 9.454 ( -7.285 -0.409 -4.033) 8.337 9.796 ( -4.024 0.260 1.972) 4.489 10.382 ( -13.175 -2.792 -7.952) 15.640 10.468 ( -4.942 9.166 7.034) 12.567 11.158 ( 2.053 13.534 -3.569) 14.147 11.788 ( 0.603 -8.167 -0.589) 8.210 12.366 ( 6.799 -1.177 4.454) 8.213 12.633 ( -6.470 -4.867 -4.889) 9.458 12.872 ( 0.183 6.580 0.645) 6.614 13.722 ( 6.281 -5.488 -0.511) 8.356 16.427 ( 6.340 -8.029 -0.328) 10.236 17.656 ( 22.228 -2.410 -6.490) 23.281 18.933 ( -19.262 -0.502 -7.375) 20.632 19.676 ( -2.811 6.472 11.953) 13.880 22.841 ( -2.561 1.742 -1.640) 3.505======================= Grid point 21 (17/156) =======================q-point: (-0.16 -0.02 0.02)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.183 ( -7.303 5.874 -25.096) 26.789 1.441 ( 7.752 -12.643 -25.215) 29.253 2.621 ( -0.786 -16.245 -46.790) 49.536 5.767 ( 0.216 5.677 7.922) 9.748 5.825 ( -0.102 -0.666 14.831) 14.847 6.027 ( -0.851 1.170 1.750) 2.270 6.770 ( -2.485 4.759 -2.020) 5.736 6.892 ( 6.019 5.172 -5.938) 9.911 7.006 ( -4.923 5.176 -7.705) 10.507 7.229 ( 1.755 4.092 -3.416) 5.612 7.679 ( -1.054 10.344 -9.275) 13.933 8.048 ( 6.135 5.871 4.478) 9.599 8.407 ( -8.450 1.650 0.178) 8.611 9.030 ( 5.948 -6.339 6.354) 10.767 9.264 ( -0.395 4.161 5.872) 7.208 9.440 ( -1.360 -14.462 13.408) 19.768 10.153 ( 6.061 15.233 5.504) 17.294 10.414 ( -15.211 3.838 -0.024) 15.688 10.612 ( 11.042 -8.250 -0.856) 13.810 10.897 ( -1.682 -16.294 11.732) 20.149 12.010 ( 0.165 1.328 -3.422) 3.674 12.497 ( -0.683 6.768 1.039) 6.882 12.765 ( 2.322 1.165 -3.498) 4.357 12.853 ( -2.975 -5.763 1.326) 6.619 13.521 ( 0.906 0.944 -6.531) 6.661 16.428 ( -2.526 -0.185 -16.899) 17.088 17.163 ( 3.207 46.687 -24.034) 52.608 17.976 ( 0.460 -5.048 -6.192) 8.003 20.533 ( -0.893 -22.837 32.469) 39.706 22.263 ( -0.397 -11.296 -9.002) 14.450======================= Grid point 23 (18/156) =======================q-point: (-0.16 -0.02 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.237 ( 11.362 7.715 -4.316) 14.396 1.907 ( 19.734 2.299 -15.227) 25.031 3.030 ( 9.586 7.636 -34.451) 36.566 5.516 ( -7.009 -5.680 -1.305) 9.115 5.894 ( -1.463 5.247 11.871) 13.061 5.988 ( 0.135 -3.322 8.142) 8.795 6.465 ( -11.776 -4.421 -9.568) 15.804 6.660 ( -3.912 -2.012 -9.858) 10.795 6.949 ( -4.101 3.407 -1.175) 5.459 7.299 ( 6.920 -2.224 0.437) 7.282 7.717 ( 8.219 -0.166 -6.367) 10.398 7.989 ( -2.783 -4.599 1.501) 5.582 8.173 ( -11.121 2.559 0.722) 11.435 8.944 ( -5.989 -12.281 -1.402) 13.735 9.159 ( -1.862 0.409 8.948) 9.149 9.607 ( -5.683 -3.176 2.151) 6.856 9.980 ( -0.744 -6.639 -2.616) 7.174 10.126 ( -10.706 9.022 7.896) 16.074 11.023 ( 12.061 6.766 -0.863) 13.856 11.299 ( 14.371 6.074 14.814) 21.514 11.905 ( -7.112 -3.114 -2.683) 8.215 12.283 ( -4.476 -4.717 1.706) 6.723 12.731 ( -3.543 -0.666 1.086) 3.766 12.985 ( 2.606 5.770 0.449) 6.347 13.511 ( 1.155 -2.687 -1.367) 3.228 15.833 ( -20.736 -15.821 -23.245) 34.937 16.864 ( 4.860 1.292 -16.304) 17.062 18.109 ( 6.404 0.313 -7.214) 9.651 20.901 ( 3.733 7.973 22.740) 24.385 22.487 ( 3.256 2.984 -4.726) 6.469======================= Grid point 24 (19/156) =======================q-point: (-0.16 -0.02 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.709 ( 14.282 2.828 0.395) 14.565 2.397 ( 16.718 7.966 -0.148) 18.520 3.214 ( -1.427 0.254 -19.954) 20.006 5.374 ( 1.730 -0.999 -1.882) 2.744 5.750 ( -6.375 -6.952 4.731) 10.553 6.031 ( -1.666 7.807 5.623) 9.764 6.374 ( 0.906 2.228 -7.791) 8.154 6.595 ( 1.261 -2.162 -0.748) 2.612 6.917 ( -3.666 2.585 -0.953) 4.586 7.382 ( 3.576 -1.577 0.236) 3.915 7.588 ( -2.822 -15.294 -0.848) 15.575 8.030 ( 6.214 4.402 -7.604) 10.761 8.045 ( -10.471 6.900 2.658) 12.818 8.544 ( -3.183 -13.654 -7.591) 15.943 8.948 ( -6.574 -9.708 6.652) 13.480 9.465 ( -2.185 3.805 -7.504) 8.692 9.934 ( -1.674 2.857 -1.226) 3.530 10.095 ( -8.164 5.016 6.064) 11.339 11.317 ( 4.636 -2.516 -5.240) 7.435 11.658 ( -8.086 3.801 1.738) 9.102 11.693 ( 7.358 7.154 11.728) 15.584 12.183 ( 3.332 -3.814 0.363) 5.077 12.629 ( -6.919 2.596 2.695) 7.866 13.056 ( -2.358 -1.657 -1.989) 3.502 13.514 ( 5.379 -2.175 4.442) 7.307 15.290 ( -5.562 -9.006 -17.774) 20.687 16.943 ( 7.352 -8.006 -7.449) 13.177 18.257 ( 4.620 2.022 -9.862) 11.077 21.100 ( -2.382 9.461 18.329) 20.764 22.539 ( -1.560 1.944 -8.326) 8.691======================= Grid point 25 (20/156) =======================q-point: (-0.16 -0.02 -0.41)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.823 ( -0.140 -5.176 -4.732) 7.015 2.823 ( 0.171 -1.406 18.146) 18.201 3.078 ( 3.083 -0.761 -23.633) 23.845 5.486 ( -1.459 -5.049 -0.587) 5.288 5.529 ( 6.180 2.181 5.063) 8.282 6.168 ( -1.115 6.666 -4.994) 8.404 6.407 ( -2.864 1.195 -3.491) 4.671 6.590 ( 4.557 -6.365 9.068) 11.980 6.909 ( -5.856 5.047 -2.850) 8.239 7.250 ( -1.449 -3.441 -2.285) 4.377 7.405 ( 0.678 -1.496 -0.928) 1.886 8.041 ( -2.284 4.759 0.403) 5.294 8.251 ( 3.423 1.629 -6.475) 7.503 8.289 ( 4.953 -7.329 -11.909) 14.835 8.709 ( -0.190 -2.579 6.722) 7.202 9.530 ( -1.581 3.508 -11.192) 11.835 9.963 ( -8.318 2.315 -6.521) 10.820 10.044 ( -0.792 6.753 11.318) 13.203 11.160 ( -7.050 -0.573 -6.684) 9.732 11.712 ( -3.136 5.163 4.660) 7.629 11.873 ( -0.628 1.272 9.294) 9.402 12.217 ( 6.459 -4.851 -1.922) 8.303 12.651 ( -1.513 11.044 -1.536) 11.253 12.900 ( 0.539 -8.095 7.650) 11.151 13.562 ( 1.228 -2.402 1.782) 3.233 15.170 ( 6.254 -3.457 -15.666) 17.219 16.864 ( 2.691 -8.094 -5.307) 10.046 18.349 ( 1.957 -1.027 -9.956) 10.198 21.181 ( -6.862 6.975 16.817) 19.456 22.562 ( 0.725 1.530 -9.009) 9.167======================= Grid point 27 (21/156) =======================q-point: (-0.16 -0.02 -0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.598 ( -4.399 -7.919 -10.976) 14.232 2.330 ( -13.992 -18.067 5.562) 23.518 3.260 ( 2.059 0.025 -19.232) 19.342 5.391 ( 1.909 -1.132 1.359) 2.602 5.788 ( 7.712 4.233 3.237) 9.374 6.164 ( -2.347 -3.870 -2.650) 5.244 6.392 ( -1.420 3.447 -7.194) 8.103 6.561 ( 4.892 -2.267 10.821) 12.089 6.838 ( -9.740 5.269 -1.619) 11.191 7.270 ( -1.099 1.643 1.087) 2.256 7.487 ( 5.296 2.589 -3.807) 7.017 8.039 ( -1.260 -3.028 -7.120) 7.839 8.291 ( 2.206 6.267 -13.184) 14.763 8.469 ( 13.596 -1.661 2.929) 14.006 8.884 ( 6.666 9.593 9.007) 14.751 9.523 ( -1.399 0.172 -7.419) 7.552 9.806 ( -10.201 4.179 -2.290) 11.259 10.218 ( 2.376 5.775 3.420) 7.120 11.065 ( -9.624 5.331 -2.350) 11.250 11.643 ( -3.772 -5.935 9.874) 12.122 11.812 ( -1.620 0.394 3.442) 3.824 12.247 ( 5.690 -2.942 -3.363) 7.235 12.772 ( 0.820 -4.382 12.257) 13.043 13.004 ( 4.852 14.051 -2.413) 15.060 13.426 ( -3.759 -7.461 0.601) 8.375 15.404 ( 15.670 3.717 -21.805) 27.107 16.739 ( -3.521 -2.862 -6.302) 7.765 18.285 ( -0.726 -5.747 -9.433) 11.069 21.114 ( -8.029 2.203 16.273) 18.279 22.611 ( 1.204 -0.205 -5.366) 5.503======================= Grid point 28 (22/156) =======================q-point: (-0.16 -0.02 -0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.402 ( -1.608 -5.362 -19.415) 20.206 1.644 ( -7.745 -18.668 -6.914) 21.361 3.077 ( -6.892 -11.489 -32.788) 35.420 5.527 ( 5.141 6.074 1.059) 8.027 5.908 ( -3.193 0.118 11.550) 11.983 6.055 ( 1.559 -3.595 4.988) 6.343 6.558 ( 6.599 9.464 -16.241) 19.922 6.682 ( 5.092 1.614 1.315) 5.501 6.807 ( -8.284 11.724 -3.323) 14.735 7.231 ( 2.162 -4.710 0.217) 5.187 7.666 ( 2.688 2.261 -1.574) 3.849 7.897 ( -2.150 -2.078 -4.081) 5.059 8.469 ( 1.553 2.363 -4.956) 5.706 8.801 ( 11.063 5.772 4.014) 13.108 9.152 ( 1.023 4.362 6.524) 7.915 9.667 ( 6.567 5.572 3.053) 9.137 9.724 ( -5.568 7.332 3.047) 9.697 10.380 ( 1.548 5.638 -2.204) 6.248 10.849 ( -9.016 -6.647 4.699) 12.147 11.322 ( -5.148 -13.729 12.199) 19.073 11.904 ( 2.242 5.185 -3.453) 6.621 12.352 ( 5.004 1.491 1.469) 5.425 12.724 ( -1.003 0.483 8.825) 8.895 13.124 ( -7.092 -7.866 0.552) 10.605 13.367 ( 5.445 7.354 -5.503) 10.678 16.040 ( 24.481 16.640 -30.525) 42.521 16.584 ( -10.212 2.911 -10.190) 14.717 18.114 ( -0.886 -7.346 -8.223) 11.062 20.936 ( -7.126 -4.656 21.420) 23.050 22.538 ( -3.034 -6.011 -2.113) 7.057======================= Grid point 29 (23/156) =======================q-point: ( 0.12 -0.03 0.03)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 540Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.698 ( 5.762 12.356 18.048) 22.618 0.936 ( -10.010 21.113 22.013) 32.102 1.641 ( 2.968 27.023 46.219) 53.621 5.810 ( 0.307 -12.035 0.930) 12.074 6.118 ( 0.710 -0.311 -12.762) 12.785 6.169 ( -0.502 1.106 -8.288) 8.377 6.577 ( -0.576 -24.030 28.461) 37.253 6.770 ( 8.754 -10.539 8.102) 15.917 6.809 ( -6.394 1.443 1.078) 6.643 7.118 ( -1.663 5.326 7.220) 9.125 7.475 ( 0.270 -3.633 8.139) 8.917 8.118 ( -5.118 -4.683 -2.198) 7.277 8.407 ( 6.118 -4.055 0.116) 7.341 9.153 ( -4.964 0.444 -4.755) 6.888 9.368 ( 0.699 -4.728 -3.876) 6.154 9.803 ( 0.587 12.111 -21.797) 24.942 10.222 ( -4.306 -13.803 -1.619) 14.550 10.364 ( 6.527 -5.518 2.738) 8.974 10.606 ( -2.764 13.442 -1.408) 13.795 11.229 ( 0.308 14.604 -16.747) 22.222 11.928 ( -1.654 -1.981 4.428) 5.126 12.505 ( -1.292 0.536 1.048) 1.748 12.710 ( 9.738 -1.267 0.836) 9.856 12.988 ( -3.945 12.699 -17.388) 21.890 13.428 ( -1.850 2.534 0.808) 3.240 16.150 ( 7.418 -0.332 10.756) 13.070 16.369 ( -8.377 -58.605 59.547) 83.967 17.874 ( -1.408 5.341 3.450) 6.512 21.144 ( 0.466 8.046 -20.657) 22.174 22.254 ( 1.871 24.909 -16.070) 29.702======================= Grid point 30 (24/156) =======================q-point: ( 0.12 -0.03 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 540Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.009 ( -1.081 14.367 16.652) 22.020 1.539 ( 14.163 24.885 3.605) 28.859 2.458 ( 14.518 21.771 24.522) 35.862 5.523 ( -5.490 -5.477 0.398) 7.765 6.046 ( -4.886 -7.562 7.617) 11.793 6.131 ( -1.054 -0.435 -3.957) 4.118 6.250 ( 1.701 -1.587 4.619) 5.172 6.696 ( 2.735 -3.162 2.384) 4.813 6.833 ( 4.110 -1.666 -6.810) 8.127 7.252 ( -1.339 4.682 -2.172) 5.332 7.544 ( 0.096 5.463 9.073) 10.591 7.865 ( -3.778 -6.498 -0.110) 7.518 8.364 ( -2.232 -7.488 4.328) 8.932 8.853 ( -13.786 -4.550 -1.157) 14.564 9.251 ( 0.881 -4.886 -2.933) 5.766 9.717 ( -11.642 -13.934 -2.032) 18.270 9.805 ( 0.446 -5.999 -3.794) 7.112 10.341 ( 4.880 -6.420 1.471) 8.197 10.901 ( 8.384 2.760 -1.023) 8.886 11.589 ( 2.459 12.357 -11.852) 17.297 11.828 ( 0.853 -3.436 3.458) 4.949 12.361 ( -8.871 -0.363 1.016) 8.936 12.993 ( 2.876 -1.324 -11.601) 12.025 13.121 ( 2.111 10.596 0.016) 10.804 13.366 ( -2.077 -5.605 -10.657) 12.219 15.324 ( -15.408 -12.285 37.783) 42.613 16.402 ( 11.448 1.661 6.899) 13.469 17.983 ( -1.037 8.016 4.376) 9.191 21.254 ( 4.415 -0.379 -8.486) 9.574 22.589 ( 1.174 2.627 -6.552) 7.156======================= Grid point 31 (25/156) =======================q-point: ( 0.12 -0.03 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 540Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.390 ( 9.251 10.415 8.171) 16.150 2.298 ( 11.469 17.301 7.884) 22.204 3.020 ( 7.247 8.028 3.468) 11.357 5.416 ( -3.354 4.195 -1.394) 5.549 5.813 ( -5.398 -3.833 1.455) 6.779 6.071 ( -1.570 -1.659 4.130) 4.719 6.291 ( 2.773 -0.629 1.595) 3.261 6.787 ( 5.848 1.039 -2.142) 6.314 6.862 ( 2.095 -2.266 -8.733) 9.262 7.302 ( 1.215 -0.786 -2.830) 3.178 7.429 ( -5.814 -5.308 1.632) 8.041 7.858 ( -0.751 6.472 9.755) 11.730 8.040 ( -3.618 -9.866 9.840) 14.396 8.501 ( -14.502 -0.038 -0.574) 14.514 9.070 ( -7.182 -9.048 -8.321) 14.237 9.370 ( -0.343 -2.579 6.779) 7.261 9.752 ( 6.602 -5.054 2.334) 8.635 10.309 ( 5.205 -6.826 -4.141) 9.531 11.002 ( 6.337 -6.793 3.036) 9.773 11.747 ( 3.497 -0.903 -0.483) 3.643 11.936 ( 2.911 6.098 -7.659) 10.214 12.196 ( -8.125 3.428 1.523) 8.949 12.865 ( -5.255 -6.314 1.490) 8.349 13.148 ( -5.875 -1.175 -12.373) 13.747 13.424 ( 5.985 4.877 0.302) 7.726 14.986 ( -7.123 -0.524 16.794) 18.250 16.634 ( 4.322 3.921 3.760) 6.942 18.139 ( -0.733 6.956 4.694) 8.423 21.360 ( 9.224 -3.520 -7.270) 12.261 22.538 ( -4.863 -1.552 1.615) 5.354======================= Grid point 32 (26/156) =======================q-point: ( 0.12 -0.03 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 540Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.716 ( 1.160 6.987 4.675) 8.487 2.635 ( -1.911 1.597 17.310) 17.488 3.147 ( 0.416 -1.824 -11.924) 12.070 5.454 ( -5.972 3.377 0.673) 6.894 5.681 ( -0.601 0.874 -6.709) 6.792 6.024 ( 0.473 -1.119 6.325) 6.441 6.322 ( 1.789 -2.142 3.136) 4.198 6.785 ( 2.681 -10.050 -2.332) 10.659 6.900 ( 1.135 1.927 -4.741) 5.242 7.198 ( 0.814 2.736 2.210) 3.610 7.423 ( 0.221 2.647 -3.394) 4.310 7.957 ( 1.919 1.355 7.238) 7.610 8.023 ( 2.739 8.240 10.029) 13.266 8.202 ( -12.639 -0.919 1.079) 12.718 8.850 ( 0.224 -0.351 -5.898) 5.912 9.350 ( 1.973 -3.358 6.138) 7.270 9.816 ( 5.814 -3.347 5.319) 8.561 10.280 ( 6.232 -6.827 -8.826) 12.780 11.031 ( 5.388 0.546 5.306) 7.582 11.755 ( 5.610 -8.331 -0.462) 10.055 12.050 ( -1.969 2.144 -6.604) 7.217 12.155 ( -8.116 7.317 2.854) 11.293 12.625 ( 4.719 -10.653 1.020) 11.696 13.074 ( -3.806 2.491 -7.067) 8.404 13.588 ( -0.734 5.454 -0.935) 5.582 14.906 ( -3.402 2.604 8.997) 9.965 16.774 ( -2.967 8.135 3.154) 9.215 18.198 ( -3.140 1.854 4.773) 6.007 21.457 ( 9.202 -7.390 -9.330) 15.044 22.398 ( -2.925 -1.678 6.120) 6.988======================= Grid point 34 (27/156) =======================q-point: ( 0.12 -0.03 -0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 540Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.674 ( -16.675 4.356 2.473) 17.411 2.299 ( -16.667 -10.602 9.578) 21.953 2.958 ( -6.741 -11.572 3.860) 13.937 5.347 ( -2.497 0.879 0.479) 2.690 5.810 ( 4.025 4.832 -0.314) 6.297 6.049 ( 2.471 0.099 2.234) 3.333 6.282 ( 0.796 -2.888 0.795) 3.100 6.616 ( 2.989 -9.439 -1.166) 9.969 6.939 ( 0.193 0.751 -2.777) 2.883 7.400 ( -2.418 1.464 -1.796) 3.349 7.566 ( 6.014 14.890 1.539) 16.132 7.880 ( -11.738 -1.254 5.971) 13.229 8.069 ( 8.567 -4.138 0.220) 9.516 8.398 ( 5.476 16.853 5.602) 18.585 9.082 ( 9.554 9.204 -5.658) 14.422 9.319 ( 3.536 -2.861 5.696) 7.289 9.851 ( 2.945 -1.027 3.872) 4.972 10.282 ( 7.259 -6.968 -8.123) 12.932 11.195 ( -0.708 3.259 5.383) 6.332 11.686 ( 9.873 -9.002 -0.808) 13.385 11.913 ( -8.780 -2.096 -8.964) 12.721 12.154 ( -5.838 7.749 2.680) 10.065 12.678 ( 12.074 -4.503 -1.224) 12.945 13.030 ( -1.827 -1.651 0.809) 2.591 13.653 ( -4.458 6.222 -8.542) 11.469 14.953 ( 1.126 5.109 13.684) 14.650 16.811 ( -8.613 4.795 4.863) 10.992 18.107 ( -5.422 -0.267 4.748) 7.212 21.400 ( 2.479 -8.784 -10.056) 13.581 22.393 ( 4.748 -1.182 5.151) 7.104======================= Grid point 35 (28/156) =======================q-point: ( 0.12 -0.03 -0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 540Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.219 ( -26.481 -2.143 -2.642) 26.699 1.626 ( -24.467 -8.250 11.063) 28.091 2.353 ( -18.185 -17.674 28.456) 38.116 5.481 ( 7.786 5.705 1.178) 9.724 6.041 ( 8.119 4.482 8.448) 12.545 6.103 ( 1.739 0.611 -6.338) 6.600 6.252 ( 1.386 -1.313 2.414) 3.078 6.571 ( 5.824 -2.783 0.122) 6.456 6.933 ( 0.068 -2.442 0.220) 2.453 7.321 ( -6.390 0.318 -2.075) 6.726 7.564 ( -10.869 -1.266 7.762) 13.416 8.005 ( 3.356 10.512 -0.255) 11.037 8.193 ( 11.904 -4.738 -0.704) 12.832 8.912 ( 7.755 15.242 1.243) 17.146 9.279 ( 2.496 -0.184 -2.400) 3.468 9.657 ( 14.340 9.240 -3.309) 17.377 9.939 ( 3.102 4.439 1.702) 5.677 10.281 ( 7.487 -7.751 -5.979) 12.324 10.993 ( -8.259 -8.614 1.721) 12.057 11.593 ( -13.515 -2.856 -12.785) 18.822 11.865 ( 6.939 0.048 1.652) 7.133 12.307 ( 0.036 12.807 -0.237) 12.809 12.736 ( 4.666 -10.046 1.297) 11.152 13.022 ( 3.188 2.054 -2.806) 4.717 13.624 ( -7.278 0.884 -15.024) 16.717 15.266 ( 13.527 13.073 31.719) 36.878 16.567 ( -8.402 -9.032 11.180) 16.648 17.998 ( -7.177 2.364 3.582) 8.362 21.259 ( -0.405 -5.183 -10.534) 11.747 22.468 ( 2.425 -1.735 -3.128) 4.321======================= Grid point 37 (29/156) =======================q-point: ( 0.40 -0.03 0.03)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.360 ( 6.772 -1.425 -3.020) 7.550 2.666 ( -6.318 7.369 9.451) 13.547 4.242 ( 1.661 -1.928 20.277) 20.436 5.244 ( -3.136 -2.318 -9.258) 10.046 5.460 ( 3.123 3.657 -7.003) 8.495 6.033 ( 3.903 2.437 1.970) 5.006 6.543 ( -0.094 -6.818 1.683) 7.023 6.920 ( -2.115 -3.786 3.889) 5.824 6.944 ( -2.316 -3.414 6.763) 7.922 7.415 ( -7.193 -2.500 -2.361) 7.973 7.533 ( 3.311 5.171 1.712) 6.375 7.986 ( 1.317 -2.625 -3.208) 4.349 8.540 ( 10.875 -0.046 4.600) 11.808 8.587 ( -2.174 0.450 -5.578) 6.003 8.918 ( -1.805 2.942 -4.200) 5.437 9.405 ( -6.156 -6.550 -2.345) 9.290 9.737 ( 3.534 -0.732 3.517) 5.039 10.172 ( 3.888 -6.930 2.604) 8.362 10.688 ( -6.485 6.885 -13.758) 16.695 11.258 ( -0.403 6.136 0.789) 6.200 11.808 ( -1.303 -9.722 -1.460) 9.917 12.289 ( 5.882 1.715 3.704) 7.160 12.661 ( -6.211 -5.020 -1.301) 8.091 12.923 ( 3.426 1.320 -1.701) 4.047 13.690 ( -1.525 -0.723 4.807) 5.094 16.362 ( 6.315 -9.473 7.779) 13.789 17.702 ( -10.368 4.317 20.372) 23.263 18.486 ( 2.737 4.436 4.358) 6.794 19.970 ( 2.279 2.084 -19.142) 19.390 22.759 ( 0.341 1.059 4.097) 4.245======================= Grid point 38 (30/156) =======================q-point: ( 0.40 -0.03 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.741 ( 8.941 16.688 -11.069) 21.930 2.579 ( -15.858 7.456 4.702) 18.143 4.221 ( -4.115 1.645 18.008) 18.545 5.198 ( 1.727 0.097 -5.767) 6.021 5.547 ( 0.687 -1.754 -7.069) 7.316 6.173 ( -0.239 6.690 -4.926) 8.312 6.454 ( -0.461 -2.038 3.703) 4.252 6.751 ( -1.732 -4.066 4.390) 6.229 6.899 ( 1.868 1.187 11.491) 11.702 7.296 ( -2.569 0.759 2.294) 3.526 7.628 ( -1.340 -1.387 -0.737) 2.065 7.889 ( 0.992 -5.460 -3.805) 6.729 8.505 ( -3.066 -8.520 -4.471) 10.099 8.628 ( -0.343 0.460 5.751) 5.779 8.839 ( -8.838 6.060 -3.645) 11.319 9.384 ( 11.110 -3.800 2.492) 12.004 9.766 ( 3.682 -4.038 4.825) 7.290 10.236 ( 7.905 0.093 6.332) 10.129 10.681 ( 3.841 -3.395 -12.203) 13.236 11.109 ( 0.662 -13.219 -0.531) 13.247 11.768 ( -0.224 1.980 1.583) 2.545 12.423 ( -4.655 -5.407 0.243) 7.138 12.564 ( 6.519 10.360 -0.196) 12.242 12.889 ( -2.033 -5.166 -0.701) 5.596 13.690 ( -4.927 6.694 2.333) 8.633 16.337 ( -6.146 4.382 8.724) 11.537 17.459 ( -17.716 8.503 11.609) 22.824 18.740 ( 9.220 2.542 9.350) 13.375 20.016 ( 7.824 -8.311 -18.692) 21.902 22.778 ( 2.551 -2.271 4.291) 5.485======================= Grid point 39 (31/156) =======================q-point: ( 0.40 -0.03 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.177 ( -14.499 6.603 -1.339) 15.988 2.385 ( -4.023 13.401 -10.461) 17.470 4.152 ( -7.189 4.907 17.332) 19.395 5.308 ( 3.794 3.112 -3.633) 6.105 5.421 ( -1.598 -6.160 -5.645) 8.506 6.210 ( -9.503 3.022 -1.296) 10.055 6.459 ( 2.495 3.440 1.792) 4.612 6.744 ( 4.473 -1.950 4.261) 6.478 6.974 ( 1.881 -1.065 8.748) 9.011 7.406 ( 5.511 1.334 0.629) 5.705 7.507 ( -2.779 2.903 0.280) 4.028 7.803 ( -3.046 1.201 -0.382) 3.297 8.201 ( 0.100 -9.603 -1.370) 9.701 8.705 ( -1.418 1.644 0.565) 2.244 8.828 ( -0.465 4.787 -1.168) 4.949 9.461 ( -0.584 -0.924 -0.484) 1.196 9.745 ( 10.481 -13.409 10.327) 19.907 10.271 ( -0.504 -3.312 11.022) 11.520 10.796 ( 13.002 -8.140 -18.187) 23.793 11.002 ( 9.806 -2.985 -1.744) 10.398 11.768 ( 0.280 -1.570 6.210) 6.411 12.278 ( -1.502 -1.090 -0.352) 1.889 12.665 ( -6.073 -4.465 0.019) 7.538 12.930 ( 4.597 8.593 -0.012) 9.746 13.699 ( -7.579 5.959 0.295) 9.646 16.238 ( -16.502 10.320 13.699) 23.801 17.448 ( -7.130 14.810 1.485) 16.504 18.885 ( 2.740 -2.569 14.336) 14.820 19.970 ( 10.188 -12.753 -19.731) 25.607 22.775 ( 3.200 -3.619 4.994) 6.948======================= Grid point 41 (32/156) =======================q-point: ( 0.40 -0.03 -0.54)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.638 ( -23.202 -4.552 -8.666) 25.182 2.709 ( -1.696 10.855 0.222) 10.989 4.163 ( -2.009 4.922 18.304) 19.060 5.284 ( 0.760 -4.342 -6.174) 7.586 5.441 ( 0.661 2.717 -6.055) 6.669 6.062 ( -8.440 3.745 3.056) 9.726 6.507 ( 0.777 -2.697 -0.688) 2.890 6.822 ( 5.785 -0.184 6.457) 8.671 6.959 ( 0.523 -1.894 5.786) 6.111 7.411 ( 2.681 -0.712 -1.967) 3.401 7.604 ( -0.674 -0.924 0.540) 1.265 7.926 ( 0.772 4.540 -2.639) 5.307 8.197 ( 6.112 6.647 6.479) 11.114 8.663 ( -0.543 -1.834 -6.252) 6.538 8.948 ( -1.499 4.590 -0.350) 4.841 9.452 ( 3.152 1.284 0.109) 3.405 9.593 ( 2.430 -10.488 5.576) 12.124 10.185 ( 2.480 -6.664 9.759) 12.074 10.844 ( 6.035 -6.920 -18.542) 20.690 11.220 ( 13.057 -4.317 0.000) 13.753 11.740 ( -2.086 1.400 4.836) 5.449 12.272 ( -6.836 5.910 -1.137) 9.108 12.533 ( 5.230 -2.599 1.737) 6.093 13.047 ( -1.208 -2.635 -0.918) 3.041 13.672 ( -4.868 5.619 1.724) 7.632 16.172 ( -7.748 9.688 12.114) 17.339 17.684 ( -4.955 16.000 6.114) 17.830 18.721 ( -2.602 -11.481 11.191) 16.243 19.949 ( 7.397 -6.683 -18.379) 20.908 22.767 ( 2.060 -2.298 4.919) 5.807======================= Grid point 43 (33/156) =======================q-point: ( 0.40 -0.03 -0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.870 ( 17.241 12.912 6.375) 22.464 2.190 ( -7.686 -19.130 14.012) 24.927 4.281 ( 1.308 -1.565 21.834) 21.929 5.245 ( 1.432 -0.172 -8.698) 8.816 5.443 ( -4.576 3.457 -8.756) 10.468 6.054 ( 1.587 -3.603 4.159) 5.727 6.739 ( 7.789 0.278 1.162) 7.880 6.929 ( 5.376 -4.566 -0.403) 7.064 6.984 ( 4.062 -1.480 5.788) 7.225 7.268 ( -3.796 -1.459 2.083) 4.569 7.566 ( 3.220 2.148 -2.738) 4.741 8.114 ( -2.325 7.627 3.849) 8.854 8.301 ( -5.218 -11.148 -11.194) 16.638 8.733 ( 3.696 -5.947 -2.534) 7.446 8.879 ( 3.261 1.694 -2.382) 4.379 9.570 ( -10.051 12.198 0.509) 15.814 9.667 ( 8.259 0.093 -1.157) 8.340 10.299 ( -12.916 -6.640 -10.092) 17.685 10.613 ( 6.999 13.422 -0.274) 15.140 11.052 ( -11.622 0.754 -3.243) 12.089 11.990 ( 10.304 -4.348 1.110) 11.239 12.374 ( -3.292 2.352 0.641) 4.096 12.563 ( 7.206 -4.903 -1.730) 8.886 13.053 ( -3.965 4.790 -1.771) 6.465 13.662 ( 6.965 -6.239 6.668) 11.485 16.777 ( 24.707 -8.614 5.124) 26.663 17.220 ( -2.453 -16.057 19.353) 25.266 18.574 ( -5.298 10.034 13.473) 17.615 19.930 ( -12.731 9.169 -23.262) 28.058 22.737 ( -3.732 2.729 4.109) 6.186======================= Grid point 44 (34/156) =======================q-point: ( 0.40 -0.03 -0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.580 ( -3.102 -20.002 10.393) 22.753 2.466 ( 9.387 9.508 9.724) 16.525 4.256 ( 1.424 -2.638 21.978) 22.182 5.308 ( 1.951 2.065 -7.353) 7.882 5.392 ( -5.188 1.368 -10.310) 11.622 5.969 ( 3.888 -5.959 5.951) 9.276 6.716 ( 0.322 -7.834 3.438) 8.561 6.980 ( 2.440 -2.102 -1.302) 3.474 7.020 ( 0.803 -1.705 3.337) 3.832 7.306 ( 2.540 6.226 1.958) 7.004 7.780 ( -4.834 -2.096 -6.461) 8.337 7.825 ( 3.192 -2.762 -0.948) 4.326 8.324 ( 3.638 3.789 6.719) 8.528 8.649 ( -0.014 -3.470 -12.409) 12.885 8.910 ( 2.493 -3.996 -3.054) 5.613 9.582 ( -4.585 6.914 3.609) 9.047 9.830 ( -4.720 -9.308 -7.167) 12.660 10.083 ( 1.028 11.222 -1.016) 11.315 10.789 ( -11.496 1.124 -8.167) 14.146 11.000 ( 1.751 12.267 -1.576) 12.491 12.038 ( 4.109 -7.145 0.935) 8.295 12.260 ( 0.354 -6.125 1.424) 6.298 12.739 ( 7.356 2.645 0.904) 7.869 12.904 ( -8.976 -1.969 -3.533) 9.845 13.717 ( 5.522 -4.052 5.618) 8.858 16.566 ( 9.227 -25.844 12.285) 30.066 17.477 ( 17.766 4.829 11.407) 21.658 18.554 ( -12.004 4.969 13.940) 19.055 19.888 ( -9.432 10.789 -22.715) 26.858 22.732 ( -2.698 3.393 4.422) 6.192======================= Grid point 45 (35/156) =======================q-point: (-0.32 -0.04 0.04)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 540Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.632 ( -7.720 20.399 -10.029) 24.007 2.497 ( 7.259 -7.941 -13.859) 17.545 4.279 ( -0.988 0.442 -23.771) 23.796 5.284 ( 3.235 1.044 10.722) 11.248 5.374 ( -2.737 -3.900 7.486) 8.874 6.053 ( -2.992 4.434 -4.869) 7.233 6.726 ( -0.580 9.151 -1.534) 9.296 7.001 ( 0.979 4.665 -0.356) 4.780 7.006 ( 0.779 1.296 -4.475) 4.723 7.322 ( 2.255 -6.743 -0.375) 7.120 7.607 ( 5.835 8.679 5.944) 12.029 7.968 ( -6.070 -4.181 -2.726) 7.859 8.432 ( -1.384 -6.949 5.639) 9.055 8.661 ( -5.337 6.789 1.195) 8.718 8.931 ( 2.305 2.571 5.540) 6.528 9.454 ( 3.245 -5.632 3.353) 7.314 9.711 ( 3.901 -0.503 1.366) 4.164 10.274 ( -11.908 -6.103 5.755) 14.566 10.544 ( 9.775 2.874 5.700) 11.675 11.041 ( -1.083 -9.897 0.394) 9.964 12.058 ( 1.651 9.204 0.434) 9.361 12.294 ( -3.053 0.643 -2.071) 3.745 12.715 ( 7.763 2.822 3.792) 9.089 12.915 ( -7.548 0.110 -1.138) 7.635 13.755 ( 1.728 4.218 -6.146) 7.652 16.736 ( -6.626 24.280 -8.525) 26.572 17.644 ( 10.484 -0.439 -21.214) 23.667 18.383 ( -2.760 -4.992 -6.444) 8.606 19.796 ( -1.683 -14.473 21.587) 26.044 22.703 ( -0.175 -3.860 -4.369) 5.833======================= Grid point 46 (36/156) =======================q-point: (-0.32 -0.04 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 540Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.044 ( 1.535 19.687 -16.576) 25.781 2.255 ( -12.088 -8.985 -14.275) 20.752 4.270 ( 1.918 -1.186 -26.573) 26.669 5.274 ( -1.315 -0.614 8.684) 8.805 5.351 ( 3.780 -2.282 9.377) 10.364 6.124 ( -4.273 6.533 -5.537) 9.571 6.854 ( -3.053 4.017 -2.813) 5.776 7.008 ( -2.352 0.462 1.905) 3.062 7.055 ( -0.454 2.193 -0.626) 2.326 7.235 ( -1.613 -1.428 1.310) 2.521 7.705 ( -7.712 0.347 2.351) 8.070 7.977 ( 5.584 1.273 -0.227) 5.731 8.260 ( 1.326 0.788 5.840) 6.040 8.806 ( -1.668 9.489 7.664) 12.311 8.961 ( -5.084 -0.577 2.921) 5.892 9.309 ( 11.292 -14.423 -3.231) 18.600 9.835 ( -0.661 -10.397 10.412) 14.729 9.991 ( 7.845 4.944 10.488) 13.999 10.800 ( -7.513 -6.067 -2.142) 9.891 10.839 ( 7.360 4.210 0.045) 8.479 12.112 ( -0.825 0.364 -1.302) 1.584 12.326 ( 0.427 0.398 6.487) 6.513 12.744 ( -8.621 3.523 -1.881) 9.501 12.948 ( 4.818 0.821 -0.266) 4.894 13.792 ( -4.124 2.812 -6.630) 8.299 17.188 ( -1.868 24.460 -18.265) 30.584 17.406 ( -28.844 3.501 -6.908) 29.866 18.435 ( 8.148 -6.499 -13.139) 16.771 19.580 ( 17.747 -16.264 23.851) 33.887 22.655 ( 3.341 -3.237 -4.971) 6.808======================= Grid point 48 (37/156) =======================q-point: (-0.32 -0.04 0.47)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 540Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.346 ( 1.264 5.285 2.167) 5.850 2.633 ( 5.699 -8.741 -4.794) 11.483 4.182 ( -3.174 -3.789 -19.112) 19.741 5.319 ( -1.514 2.139 7.769) 8.199 5.423 ( 1.775 1.363 7.094) 7.438 5.932 ( 2.785 -4.955 -4.434) 7.209 6.569 ( -5.158 2.357 -2.381) 6.151 6.923 ( -3.399 -2.252 -2.678) 4.878 6.982 ( -1.642 1.251 -5.134) 5.533 7.453 ( 4.348 -3.547 -2.163) 6.014 7.585 ( -5.697 7.766 5.989) 11.342 7.913 ( 2.671 -7.774 1.441) 8.345 8.316 ( -4.098 -4.573 -7.871) 9.983 8.671 ( 1.343 2.998 10.806) 11.295 8.857 ( 2.200 -5.417 1.014) 5.934 9.569 ( -6.769 -9.127 -0.715) 11.386 9.668 ( -4.328 15.277 0.097) 15.878 10.218 ( 1.070 5.816 -6.937) 9.115 10.870 ( 3.482 9.651 15.238) 18.370 11.277 ( 10.358 1.708 1.366) 10.586 11.810 ( -11.450 -1.568 -0.251) 11.559 12.170 ( -0.082 -5.184 -3.029) 6.005 12.696 ( -6.893 -1.679 -1.852) 7.333 12.964 ( 5.951 6.276 3.934) 9.502 13.641 ( -1.969 -6.031 -3.844) 7.418 16.181 ( -9.274 -9.983 -11.444) 17.794 17.581 ( 4.804 -15.925 -9.713) 19.262 18.651 ( 3.976 12.516 -12.959) 18.450 20.017 ( 1.280 6.564 20.487) 21.551 22.781 ( 0.889 2.230 -4.542) 5.137======================= Grid point 49 (38/156) =======================q-point: (-0.32 -0.04 0.61)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 540Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.760 ( 18.087 5.501 6.056) 19.852 2.405 ( -0.880 -15.468 6.877) 16.950 4.048 ( 1.754 -5.295 -17.172) 18.056 5.336 ( 0.685 -0.583 3.130) 3.257 5.457 ( -4.342 5.295 5.833) 8.995 5.987 ( 10.178 -3.365 -2.505) 11.008 6.529 ( -3.948 -1.536 0.473) 4.262 6.836 ( -2.280 2.342 -6.215) 7.022 6.994 ( -0.452 1.409 -4.484) 4.721 7.405 ( -0.129 -0.378 1.550) 1.600 7.620 ( -7.644 -10.720 -3.017) 13.507 7.695 ( 5.827 -1.256 2.986) 6.667 8.252 ( -3.890 6.739 -0.809) 7.823 8.672 ( -0.027 -0.627 2.648) 2.721 8.819 ( 3.037 -7.497 -1.484) 8.224 9.408 ( 1.670 0.348 5.237) 5.508 9.905 ( -4.676 13.832 -10.756) 18.135 10.330 ( -3.891 6.259 -11.508) 13.666 11.023 ( -7.477 10.153 15.930) 20.316 11.296 ( -15.090 2.367 2.866) 15.541 11.708 ( 5.984 -1.608 -3.683) 7.208 12.151 ( 8.168 -5.508 3.933) 10.608 12.626 ( -1.764 6.316 -3.373) 7.374 13.039 ( -5.028 -4.059 -1.291) 6.590 13.530 ( 7.177 -6.641 1.561) 9.901 15.948 ( 8.166 -10.393 -12.061) 17.893 17.336 ( 4.199 -14.211 -3.454) 15.216 18.906 ( 0.614 5.289 -17.560) 18.349 20.148 ( -5.815 10.295 21.444) 24.487 22.830 ( -1.682 3.098 -5.171) 6.259======================= Grid point 50 (39/156) =======================q-point: (-0.32 -0.04 -0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 540Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.938 ( -7.214 -9.414 7.317) 13.935 2.204 ( 16.198 -7.765 3.659) 18.332 4.086 ( 7.285 -0.852 -16.658) 18.202 5.264 ( -3.653 -1.041 2.780) 4.707 5.546 ( -0.054 4.784 5.987) 7.663 6.101 ( 7.140 -6.829 5.086) 11.112 6.443 ( -0.589 2.805 -5.620) 6.309 6.780 ( -4.920 1.199 -3.676) 6.258 6.975 ( -3.628 -1.353 -8.615) 9.446 7.275 ( -1.198 -5.148 -2.963) 6.059 7.551 ( 5.826 3.827 1.909) 7.228 7.874 ( 3.712 5.932 4.163) 8.142 8.406 ( 3.679 8.567 3.581) 9.988 8.624 ( -1.030 -8.108 -3.382) 8.845 8.716 ( 3.506 -2.237 -1.248) 4.342 9.492 ( 1.089 1.572 5.696) 6.009 9.961 ( -11.867 6.102 -10.514) 16.989 10.332 ( -3.129 1.854 -10.047) 10.685 10.922 ( -16.349 3.070 8.780) 18.809 11.171 ( -5.078 11.775 4.417) 13.563 11.748 ( 1.958 -3.730 -0.309) 4.224 12.261 ( 9.850 -1.782 4.374) 10.924 12.714 ( -7.058 -9.690 -2.064) 12.165 12.863 ( 1.037 12.860 -2.552) 13.151 13.552 ( 7.250 -7.797 0.798) 10.677 16.071 ( 16.439 -4.002 -9.739) 19.522 17.200 ( 6.586 -8.303 -6.832) 12.609 18.897 ( -5.227 -0.956 -16.284) 17.129 20.194 ( -7.936 7.118 21.351) 23.864 22.839 ( -2.716 1.986 -4.656) 5.744======================= Grid point 51 (40/156) =======================q-point: (-0.32 -0.04 -0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 540Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.602 ( -14.355 4.580 4.810) 15.817 2.388 ( 17.938 -9.838 -9.605) 22.601 4.232 ( 3.067 2.256 -18.775) 19.157 5.214 ( -0.556 1.316 7.408) 7.544 5.530 ( -3.149 -3.007 7.837) 8.966 6.068 ( 1.327 -2.889 -0.132) 3.182 6.557 ( -1.076 7.589 -1.127) 7.747 6.841 ( 4.513 3.542 -4.708) 7.422 6.902 ( 0.429 2.556 -7.534) 7.968 7.299 ( 3.782 0.520 -0.998) 3.946 7.596 ( -2.483 -3.803 -0.967) 4.644 8.029 ( -2.514 6.890 4.179) 8.442 8.479 ( 4.825 -7.158 5.169) 10.061 8.714 ( 6.948 -3.098 -0.335) 7.614 8.767 ( 1.428 7.631 0.486) 7.778 9.483 ( -8.370 5.975 -0.452) 10.294 9.759 ( -3.651 -4.500 -1.812) 6.072 10.312 ( -4.155 6.162 -2.238) 7.761 10.664 ( -6.754 -5.599 9.503) 12.933 11.262 ( -1.183 -3.735 0.872) 4.013 11.764 ( 2.689 6.672 1.299) 7.310 12.423 ( -6.383 -1.601 -2.128) 6.916 12.481 ( 9.492 0.351 2.048) 9.717 13.043 ( -6.471 5.938 1.257) 8.872 13.584 ( 7.990 -1.476 -4.735) 9.404 16.395 ( 5.476 10.310 -5.648) 12.968 17.309 ( 18.315 -5.626 -17.121) 25.695 18.672 ( -10.131 -3.869 -11.667) 15.929 20.088 ( -7.660 -1.849 21.089) 22.513 22.792 ( -2.492 -1.067 -3.867) 4.723======================= Grid point 52 (41/156) =======================q-point: (-0.05 -0.05 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 143Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.668 ( -0.000 0.000 -31.675) 31.675 0.668 ( -0.000 0.000 -31.675) 31.675 1.247 ( -0.000 0.000 -58.886) 58.886 5.992 ( -0.000 0.000 -2.439) 2.439 6.121 ( 0.000 -0.000 13.348) 13.348 6.121 ( 0.000 -0.000 13.348) 13.348 6.800 ( -0.000 0.000 -8.153) 8.153 6.800 ( -0.000 0.000 -8.153) 8.153 6.814 ( -0.000 0.000 -0.633) 0.633 7.300 ( -0.000 0.000 -0.158) 0.158 8.169 ( 0.000 -0.000 1.742) 1.742 8.169 ( 0.000 -0.000 1.742) 1.742 8.451 ( 0.000 -0.000 0.877) 0.877 8.696 ( 0.000 -0.000 0.483) 0.483 9.423 ( 0.000 -0.000 4.166) 4.166 9.423 ( 0.000 -0.000 4.166) 4.166 10.398 ( 0.000 -0.000 3.163) 3.163 10.439 ( -0.000 0.000 -5.079) 5.079 10.439 ( -0.000 0.000 -5.079) 5.079 11.035 ( 0.000 -0.000 20.565) 20.565 11.953 ( -0.000 0.000 -4.746) 4.746 12.516 ( -0.000 0.000 -4.580) 4.580 12.726 ( -0.000 0.000 -1.781) 1.781 12.726 ( -0.000 0.000 -1.781) 1.781 13.412 ( -0.000 0.000 -3.957) 3.957 16.127 ( -0.000 0.000 -9.771) 9.771 17.814 ( -0.000 0.000 -3.534) 3.534 17.814 ( -0.000 0.000 -3.534) 3.534 20.693 ( 0.000 -0.000 28.227) 28.227 21.731 ( -0.000 0.000 -21.007) 21.007======================= Grid point 53 (42/156) =======================q-point: (-0.05 -0.05 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.787 ( 8.747 8.613 -17.895) 21.700 1.098 ( 23.183 12.220 -13.955) 29.690 1.937 ( 19.297 24.502 -37.462) 48.745 5.687 ( -9.748 -8.679 -1.032) 13.092 6.127 ( -0.748 0.663 9.002) 9.057 6.171 ( -0.842 -1.649 7.075) 7.313 6.375 ( -12.408 -12.167 -26.889) 32.016 6.689 ( -5.333 0.440 0.262) 5.358 6.927 ( 2.927 -0.749 -4.618) 5.518 7.125 ( 7.061 3.816 -1.890) 8.246 7.463 ( 0.401 0.958 -6.924) 7.002 8.049 ( -1.252 -9.124 1.483) 9.328 8.412 ( -7.220 2.967 -0.331) 7.813 9.036 ( -3.956 -11.603 1.593) 12.362 9.329 ( -2.469 -2.204 3.833) 5.064 9.852 ( -0.984 0.168 13.528) 13.565 10.053 ( -9.537 -14.358 -0.749) 17.253 10.393 ( -2.906 2.456 0.892) 3.908 10.757 ( 12.675 8.961 2.420) 15.711 11.337 ( 9.256 9.774 15.169) 20.281 11.908 ( 0.313 -3.425 -4.337) 5.535 12.398 ( -6.123 -3.943 -1.943) 7.538 12.836 ( -4.966 13.420 -1.410) 14.379 13.021 ( 6.390 -0.638 17.575) 18.712 13.456 ( 5.937 -0.948 4.872) 7.738 15.712 ( -28.036 -23.454 -43.489) 56.810 16.430 ( 5.383 -2.351 -18.778) 19.675 17.872 ( 3.525 1.502 -4.057) 5.580 21.213 ( 3.490 3.916 13.568) 14.547 22.430 ( 7.242 11.886 14.488) 20.090======================= Grid point 54 (43/156) =======================q-point: (-0.05 -0.05 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.251 ( 19.933 2.739 -7.794) 21.577 1.911 ( 18.903 17.423 -5.981) 26.394 2.752 ( 12.191 16.785 -14.775) 25.469 5.390 ( -5.476 -1.875 -0.607) 5.820 5.919 ( -5.984 -5.811 -4.750) 9.599 6.097 ( -1.966 -0.681 -0.468) 2.133 6.284 ( 0.822 1.176 -0.687) 1.591 6.673 ( -2.331 6.192 5.967) 8.910 6.941 ( 1.709 -1.985 0.139) 2.623 7.300 ( 5.824 -0.827 3.506) 6.848 7.577 ( 3.241 -3.199 -4.971) 6.741 7.795 ( -2.780 -4.141 -4.655) 6.822 8.247 ( -7.467 -3.936 -4.149) 9.405 8.575 ( -11.113 -10.873 -1.376) 15.608 9.240 ( -3.384 -5.013 5.402) 8.109 9.457 ( -10.550 -7.144 -2.967) 13.082 9.850 ( 2.334 -4.145 -1.102) 4.883 10.378 ( -1.507 0.641 4.769) 5.042 11.095 ( 7.940 -0.250 -2.008) 8.193 11.683 ( 6.290 5.104 8.684) 11.876 11.866 ( 0.770 0.814 1.144) 1.601 12.161 ( -7.737 -1.433 -2.204) 8.171 12.904 ( -8.430 2.413 6.063) 10.660 13.049 ( -3.798 6.790 -3.527) 8.542 13.511 ( 8.832 -8.449 10.898) 16.375 15.055 ( -8.680 -6.289 -22.722) 25.123 16.628 ( 9.110 -1.238 -6.008) 10.982 18.010 ( 3.344 4.072 -5.044) 7.294 21.360 ( 4.688 3.061 8.268) 9.985 22.527 ( -6.112 2.402 0.763) 6.611======================= Grid point 55 (44/156) =======================q-point: (-0.05 -0.05 0.47)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.631 ( 9.472 0.814 -5.153) 10.814 2.520 ( 8.529 8.788 -13.841) 18.481 3.126 ( 2.711 4.104 7.470) 8.943 5.374 ( 0.509 3.132 -0.618) 3.233 5.715 ( -3.375 -3.540 4.472) 6.627 6.042 ( -1.122 -0.572 -6.282) 6.407 6.332 ( 0.850 1.242 -3.120) 3.465 6.798 ( -0.339 5.534 10.495) 11.869 6.937 ( 0.279 -0.063 -0.385) 0.479 7.274 ( -5.661 -9.413 -1.973) 11.160 7.386 ( 3.417 -0.749 2.987) 4.600 7.896 ( 4.433 0.216 -11.166) 12.016 8.029 ( 2.736 -4.989 -7.239) 9.208 8.213 ( -11.980 -0.634 -1.530) 12.094 8.917 ( -5.819 -5.736 6.533) 10.462 9.372 ( -0.165 1.217 -5.968) 6.093 9.858 ( 2.000 -0.641 -4.758) 5.201 10.357 ( -0.775 -0.132 8.889) 8.924 11.083 ( 0.722 -4.994 -5.315) 7.329 11.829 ( 1.650 1.950 2.585) 3.634 11.985 ( 1.620 4.331 5.111) 6.893 12.063 ( -1.231 -0.289 -3.370) 3.599 12.757 ( -5.696 0.575 -0.330) 5.735 13.040 ( -1.999 -0.295 6.530) 6.836 13.541 ( 3.953 -2.143 1.179) 4.648 14.887 ( -1.891 -1.049 -9.412) 9.657 16.711 ( 3.068 -2.141 -3.411) 5.063 18.148 ( 1.467 2.653 -5.201) 6.020 21.519 ( 3.739 1.627 9.541) 10.376 22.414 ( -4.749 0.303 -5.713) 7.435======================= Grid point 59 (45/156) =======================q-point: ( 0.23 -0.05 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 540Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.219 ( 6.787 10.721 7.361) 14.669 1.781 ( -10.153 17.890 18.596) 27.730 2.960 ( 2.157 13.511 37.416) 39.839 5.595 ( 0.024 -8.478 0.007) 8.478 5.841 ( 1.263 0.794 -13.517) 13.599 6.047 ( 2.043 2.101 -6.356) 6.999 6.590 ( 6.815 -15.743 7.844) 18.863 6.667 ( -1.814 -7.539 11.799) 14.119 6.843 ( -5.793 -2.733 2.338) 6.819 7.293 ( -2.477 4.962 0.409) 5.561 7.729 ( -0.653 6.946 7.307) 10.103 7.896 ( -4.857 -6.586 -5.026) 9.604 8.350 ( 11.032 -3.524 3.148) 12.001 9.015 ( -6.319 -4.272 -5.145) 9.201 9.159 ( 0.836 -4.507 -5.652) 7.277 9.651 ( 1.637 -1.487 -5.916) 6.316 9.844 ( -10.526 -9.355 -5.643) 15.171 10.248 ( 11.767 -9.852 2.612) 15.568 10.845 ( -7.302 9.681 -0.319) 12.130 11.255 ( 1.101 16.575 -14.627) 22.133 11.936 ( -0.340 -6.358 4.898) 8.033 12.380 ( 2.784 -2.213 -8.394) 9.116 12.721 ( -1.139 -3.179 3.525) 4.881 12.972 ( 4.801 4.160 -3.637) 7.320 13.489 ( -4.256 -1.085 4.222) 6.092 16.179 ( 14.103 -24.948 21.337) 35.730 16.653 ( -16.885 2.699 23.115) 28.752 18.116 ( -0.141 7.643 5.509) 9.423 20.822 ( 1.703 5.380 -23.860) 24.518 22.473 ( 1.886 6.614 3.507) 7.720======================= Grid point 60 (46/156) =======================q-point: ( 0.23 -0.05 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 540Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.598 ( -2.241 13.485 8.966) 16.348 2.099 ( 5.014 21.745 0.958) 22.336 3.243 ( 3.140 4.237 25.106) 25.654 5.440 ( -2.059 -1.882 -2.055) 3.465 5.887 ( -0.666 -1.608 -7.937) 8.126 6.125 ( 1.063 2.495 1.061) 2.912 6.389 ( -0.054 -6.439 11.230) 12.945 6.598 ( 6.513 -4.439 -0.160) 7.883 6.707 ( -4.596 1.169 -3.426) 5.850 7.304 ( -3.824 0.703 -0.073) 3.889 7.563 ( -2.499 -3.671 0.443) 4.463 8.011 ( 1.789 4.785 4.964) 7.124 8.338 ( -1.305 -7.581 9.863) 12.508 8.770 ( -12.035 1.234 -3.847) 12.695 9.017 ( -5.541 -7.911 -6.574) 11.683 9.436 ( 6.274 -8.143 1.008) 10.329 9.666 ( 0.651 -5.200 1.189) 5.373 10.206 ( 4.506 -9.653 2.850) 11.027 10.890 ( 4.139 -3.122 0.793) 5.245 11.584 ( 1.839 9.817 -14.438) 17.556 11.782 ( 1.216 -6.081 2.475) 6.677 12.363 ( -4.789 1.140 -0.141) 4.925 12.743 ( 3.864 2.693 -12.926) 13.757 13.043 ( 1.845 -10.925 1.482) 11.178 13.422 ( -3.979 9.142 1.475) 10.079 15.735 ( -11.605 -10.346 26.383) 30.624 16.691 ( -1.227 11.395 9.414) 14.832 18.285 ( -0.577 8.202 6.659) 10.580 20.932 ( 8.012 -4.824 -16.484) 18.952 22.600 ( 2.267 -0.125 3.427) 4.111======================= Grid point 61 (47/156) =======================q-point: ( 0.23 -0.05 0.34)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 540Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.819 ( -2.087 12.675 7.304) 14.776 2.693 ( 8.577 14.121 -9.400) 19.009 3.224 ( -6.349 -2.176 19.062) 20.209 5.451 ( 0.692 4.365 -5.036) 6.700 5.710 ( -8.227 -3.406 -3.100) 9.429 6.164 ( -0.704 -4.007 7.169) 8.243 6.334 ( 3.193 0.381 3.761) 4.948 6.669 ( -0.794 3.735 -7.252) 8.196 6.749 ( 6.315 -1.102 -0.077) 6.411 7.211 ( 1.507 -1.429 0.390) 2.113 7.479 ( -5.575 -0.128 4.172) 6.965 8.030 ( -0.496 -3.657 0.482) 3.721 8.215 ( 1.926 -0.359 11.928) 12.088 8.545 ( -14.148 3.175 2.386) 14.695 8.741 ( -2.732 -2.129 -7.156) 7.950 9.484 ( 2.539 -4.428 10.214) 11.418 9.701 ( 14.660 -5.119 1.506) 15.601 10.039 ( 0.487 -10.285 -0.889) 10.335 10.949 ( 11.174 -4.164 3.843) 12.529 11.656 ( 1.925 -5.388 -2.599) 6.284 11.820 ( 3.844 1.101 -11.893) 12.548 12.303 ( -0.993 0.548 1.954) 2.259 12.716 ( -6.916 -9.774 3.516) 12.479 12.908 ( 0.370 7.164 -11.463) 13.523 13.579 ( -0.729 6.270 -0.522) 6.334 15.383 ( -12.100 1.615 20.085) 23.504 16.927 ( -3.589 14.455 5.244) 15.790 18.398 ( -2.631 4.674 7.654) 9.346 20.974 ( 11.454 -10.669 -14.508) 21.342 22.577 ( -0.054 -3.100 6.528) 7.227======================= Grid point 62 (48/156) =======================q-point: ( 0.23 -0.05 -0.52)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 540Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.956 ( -8.358 6.590 0.359) 10.650 2.719 ( -12.665 -6.997 -7.004) 16.075 3.172 ( 1.084 4.385 20.145) 20.645 5.477 ( -6.899 -1.432 -0.888) 7.102 5.639 ( 3.864 7.701 -5.856) 10.418 6.010 ( -0.638 -6.371 -1.680) 6.620 6.389 ( 0.311 -1.123 10.189) 10.255 6.649 ( -2.641 -1.691 1.197) 3.357 6.832 ( 3.270 -0.775 -2.885) 4.428 7.407 ( -0.091 6.122 1.567) 6.320 7.473 ( 8.108 8.887 2.609) 12.310 7.902 ( 1.853 -7.667 -3.143) 8.491 8.185 ( -5.593 -3.830 2.340) 7.171 8.506 ( -0.870 11.374 8.345) 14.134 8.830 ( 4.239 7.377 -2.835) 8.968 9.418 ( 2.749 -5.956 9.782) 11.778 9.855 ( 3.827 -9.029 -3.159) 10.303 9.889 ( 11.770 -5.567 0.297) 13.023 11.226 ( 12.699 4.839 5.931) 14.828 11.511 ( 2.839 -13.004 1.162) 13.361 11.822 ( -2.526 -2.997 -15.258) 15.753 12.340 ( -6.031 6.053 -2.454) 8.890 12.467 ( 3.502 -5.314 3.391) 7.211 13.035 ( -0.067 3.632 -2.639) 4.490 13.615 ( -4.057 2.480 -3.425) 5.860 15.295 ( -5.176 7.794 16.970) 19.378 17.111 ( -8.572 13.113 5.730) 16.681 18.363 ( -5.281 0.679 8.251) 9.820 20.959 ( 10.497 -12.809 -16.118) 23.109 22.516 ( 0.704 -2.407 8.801) 9.151======================= Grid point 63 (49/156) =======================q-point: ( 0.23 -0.05 -0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 540Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.624 ( -21.856 -3.849 -8.525) 23.773 2.292 ( -15.946 -3.671 9.722) 19.033 3.170 ( -3.711 -2.505 27.139) 27.505 5.423 ( 1.174 2.836 1.573) 3.448 5.859 ( 1.805 -0.223 -11.617) 11.759 5.945 ( 3.256 3.655 -1.552) 5.135 6.339 ( 0.609 -0.898 7.244) 7.325 6.600 ( 1.686 -1.136 9.136) 9.359 6.869 ( 3.056 -2.097 -2.081) 4.251 7.416 ( -4.179 0.777 0.682) 4.305 7.846 ( 8.392 -8.382 -4.986) 12.866 7.931 ( -5.116 7.880 0.196) 9.397 7.989 ( 2.725 6.132 7.496) 10.061 8.795 ( 6.978 8.041 3.064) 11.079 9.111 ( 3.190 3.893 -7.724) 9.219 9.429 ( 8.051 0.937 5.973) 10.068 9.872 ( 10.729 -3.714 -7.545) 13.632 9.955 ( 5.325 -5.060 3.177) 8.004 11.203 ( -4.090 -11.993 4.477) 13.439 11.570 ( -5.199 -1.774 -14.436) 15.445 11.684 ( 8.074 3.147 2.455) 9.007 12.307 ( -6.671 7.357 -7.436) 12.406 12.594 ( 9.084 -0.870 2.160) 9.378 13.028 ( -1.387 -2.508 1.048) 3.051 13.561 ( -3.671 0.866 -3.280) 4.998 15.528 ( 7.651 12.559 19.773) 24.642 17.034 ( -10.645 -1.879 13.315) 17.150 18.252 ( -6.845 1.633 6.087) 9.304 20.890 ( 4.806 -8.200 -18.730) 21.004 22.509 ( 0.617 -0.299 7.116) 7.149======================= Grid point 65 (50/156) =======================q-point: ( 0.23 -0.05 -0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 540Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.218 ( -9.657 -8.569 22.128) 25.619 1.482 ( 1.182 18.656 21.012) 28.124 2.786 ( -13.695 11.791 42.076) 45.792 5.673 ( 6.635 -6.549 -4.417) 10.316 5.881 ( -2.738 2.786 -13.833) 14.374 6.006 ( -0.231 -2.257 -4.758) 5.272 6.711 ( 2.484 -6.794 2.420) 7.628 6.803 ( 11.324 -8.350 12.781) 19.008 7.023 ( 0.284 -2.148 3.834) 4.404 7.172 ( 4.080 1.351 3.013) 5.249 7.623 ( -1.081 -0.366 7.290) 7.379 8.007 ( 8.812 0.523 -2.366) 9.139 8.407 ( -6.544 -9.010 -1.123) 11.193 9.006 ( 10.367 1.136 -0.991) 10.476 9.203 ( 0.857 -2.852 -8.318) 8.835 9.566 ( -8.376 7.219 -12.812) 16.924 10.057 ( 17.042 -4.991 -0.819) 17.776 10.356 ( -8.883 -11.267 -3.260) 14.713 10.729 ( -2.077 14.432 -0.467) 14.588 11.029 ( -12.639 10.004 -12.657) 20.495 11.987 ( 2.388 -1.877 3.653) 4.751 12.428 ( 4.628 -6.656 0.677) 8.135 12.754 ( 2.136 0.648 -4.268) 4.816 12.926 ( -8.429 2.977 1.699) 9.099 13.502 ( 3.515 -0.322 5.619) 6.636 16.314 ( 7.984 -17.501 22.084) 29.287 16.887 ( 22.180 -10.389 20.481) 31.927 17.995 ( -3.075 3.529 7.757) 9.060 20.731 ( -13.547 11.687 -29.182) 34.230 22.366 ( -8.531 7.164 5.365) 12.364======================= Grid point 66 (51/156) =======================q-point: ( 0.51 -0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.427 ( -0.055 19.533 -6.647) 20.633 2.857 ( -0.276 0.840 0.448) 0.991 4.551 ( 1.358 2.010 9.783) 10.079 5.073 ( -1.531 1.012 -5.009) 5.335 5.385 ( 1.255 -1.002 -4.039) 4.347 6.113 ( -0.154 3.704 -1.413) 3.967 6.503 ( 0.262 1.914 2.392) 3.074 6.901 ( -2.177 -4.038 3.500) 5.770 7.056 ( 1.427 2.434 4.444) 5.264 7.375 ( -1.102 -1.200 0.275) 1.652 7.623 ( -0.346 -2.916 -1.218) 3.179 7.833 ( -1.095 -0.885 -0.002) 1.408 8.448 ( 0.923 -3.826 -2.267) 4.542 8.678 ( 7.951 0.231 5.893) 9.900 8.891 ( -6.566 0.815 -6.429) 9.225 9.298 ( -1.682 -1.995 1.769) 3.152 9.804 ( 5.421 -1.540 3.999) 6.910 10.175 ( -1.949 5.273 2.268) 6.062 10.456 ( -1.321 -9.175 -6.588) 11.372 11.202 ( -1.737 -13.083 3.263) 13.595 11.794 ( 0.040 8.579 0.134) 8.580 12.434 ( 2.242 7.097 -0.929) 7.500 12.510 ( 2.265 -8.920 3.279) 9.770 12.929 ( -4.471 2.387 -1.459) 5.274 13.783 ( 0.755 3.680 0.781) 3.837 16.466 ( 1.809 8.904 3.047) 9.583 18.074 ( -3.864 1.476 7.070) 8.191 18.585 ( 1.362 0.524 -0.227) 1.477 19.635 ( 1.029 -6.242 -7.346) 9.694 22.810 ( 0.072 -1.771 1.760) 2.498======================= Grid point 67 (52/156) =======================q-point: (-0.49 -0.06 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.012 ( 3.073 27.436 -10.174) 29.423 2.683 ( -16.789 -0.815 -1.589) 16.884 4.578 ( -6.234 5.288 7.878) 11.353 5.158 ( 4.652 2.674 -1.390) 5.543 5.326 ( -0.524 -5.067 -5.954) 7.836 6.197 ( -2.363 6.570 -5.554) 8.922 6.617 ( 0.323 5.054 7.936) 9.415 6.781 ( -2.393 -1.229 4.593) 5.323 7.110 ( -1.058 -0.581 2.740) 2.994 7.333 ( 4.690 -3.761 3.508) 6.960 7.545 ( -0.524 -0.417 -0.351) 0.757 7.831 ( -0.644 2.154 0.735) 2.366 8.242 ( -2.895 -10.066 1.507) 10.581 8.732 ( -4.853 -1.915 -5.421) 7.524 8.794 ( 0.608 4.999 0.192) 5.039 9.478 ( 12.674 0.827 8.753) 15.425 9.723 ( 0.851 -7.352 4.398) 8.609 10.145 ( 3.884 -17.204 -14.421) 22.782 10.507 ( 7.688 7.582 7.924) 13.394 10.923 ( -2.037 -6.412 2.269) 7.100 11.891 ( 0.340 0.599 6.887) 6.921 12.301 ( 1.001 -7.503 1.580) 7.732 12.750 ( -0.333 5.592 -1.253) 5.740 12.856 ( -1.806 5.006 -0.919) 5.401 13.848 ( -4.906 5.553 -0.226) 7.413 16.748 ( -8.893 20.405 4.958) 22.804 17.716 ( -19.810 3.814 -0.228) 20.175 18.934 ( 19.215 -0.384 5.977) 20.127 19.434 ( 3.025 -15.812 -11.040) 19.521 22.780 ( 2.684 -3.573 2.105) 4.940======================= Grid point 68 (53/156) =======================q-point: (-0.49 -0.06 0.34)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.088 ( -28.680 -5.048 -5.077) 29.560 2.616 ( 2.720 18.671 -6.755) 20.041 4.555 ( -6.369 5.908 9.085) 12.570 5.184 ( -1.802 -4.913 -5.212) 7.386 5.305 ( 4.078 1.251 -2.054) 4.735 6.218 ( -5.875 2.429 -3.983) 7.502 6.597 ( -5.733 0.222 6.603) 8.748 6.820 ( 3.907 1.246 4.466) 6.063 7.074 ( -1.921 1.065 2.730) 3.504 7.350 ( 3.637 -2.728 -1.120) 4.683 7.545 ( 3.374 -1.182 -0.315) 3.589 7.894 ( -0.778 -1.289 2.788) 3.168 8.191 ( 6.314 6.040 3.810) 9.532 8.629 ( -4.702 2.404 -3.101) 6.124 8.901 ( 2.901 0.748 -0.125) 2.999 9.483 ( 0.199 -12.387 4.903) 13.324 9.667 ( 3.424 -1.353 5.858) 6.918 10.148 ( 16.988 -3.957 -11.290) 20.778 10.510 ( -6.462 -6.178 5.671) 10.587 10.968 ( 8.855 0.743 0.452) 8.897 11.900 ( -0.371 -0.275 7.041) 7.056 12.278 ( 6.398 -0.878 2.674) 6.989 12.606 ( -10.771 1.258 -2.324) 11.090 13.029 ( 1.613 0.626 -0.407) 1.777 13.821 ( -7.002 5.112 -0.639) 8.693 16.713 ( -21.899 9.070 8.575) 25.206 17.761 ( -1.962 20.199 -5.571) 21.045 18.949 ( 0.612 -20.512 6.969) 21.672 19.406 ( 14.925 -2.252 -9.872) 18.036 22.779 ( 3.505 -2.677 2.221) 4.938======================= Grid point 70 (54/156) =======================q-point: ( 0.51 -0.06 -0.37)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.519 ( 14.130 11.296 -2.538) 18.268 2.562 ( -5.706 -18.717 7.013) 20.787 4.506 ( 2.818 -5.930 6.193) 9.025 5.105 ( 0.441 4.448 -1.790) 4.815 5.401 ( -2.635 1.776 -4.299) 5.346 6.083 ( 1.291 -1.714 0.961) 2.352 6.556 ( 4.896 1.681 -1.152) 5.303 6.901 ( 1.701 -3.624 1.547) 4.292 7.026 ( -0.594 -0.757 3.602) 3.728 7.339 ( -0.195 -1.941 2.480) 3.155 7.611 ( -2.714 0.534 0.428) 2.799 7.931 ( 5.065 2.443 -4.228) 7.035 8.413 ( -8.452 -2.074 -1.822) 8.891 8.580 ( 2.247 -11.172 -6.535) 13.137 8.868 ( 2.051 1.436 4.439) 5.096 9.486 ( 3.391 6.059 -0.200) 6.946 9.762 ( -3.045 4.879 -1.705) 5.998 10.372 ( -0.610 7.054 4.425) 8.349 10.502 ( -3.624 9.381 -6.372) 11.906 11.246 ( -9.400 -0.849 -1.015) 9.492 11.763 ( 10.078 -1.649 1.040) 10.265 12.377 ( 3.296 -7.642 -4.112) 9.283 12.518 ( -5.546 3.680 2.756) 7.204 13.022 ( 4.404 5.319 -0.525) 6.925 13.664 ( 1.390 -8.178 2.774) 8.747 16.441 ( 9.502 -5.976 -0.868) 11.258 17.605 ( -2.292 -22.406 10.706) 24.938 18.910 ( -1.667 19.013 9.836) 21.471 19.703 ( -4.022 3.201 -14.313) 15.208 22.846 ( -1.311 2.536 1.176) 3.088======================= Grid point 71 (55/156) =======================q-point: ( 0.51 -0.06 -0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.911 ( -6.708 -21.863 9.134) 24.625 2.202 ( 21.420 5.932 0.543) 22.232 4.458 ( 6.160 -6.819 5.453) 10.685 5.222 ( -0.227 4.462 1.137) 4.610 5.343 ( -5.222 1.229 -5.716) 7.839 6.030 ( 2.168 -5.827 5.062) 8.018 6.739 ( 7.427 -1.159 -6.343) 9.835 6.794 ( -3.123 -2.427 1.597) 4.265 7.048 ( 1.911 0.870 2.232) 3.064 7.357 ( 2.136 3.086 3.620) 5.215 7.643 ( 1.094 4.487 -2.338) 5.177 7.842 ( -3.557 -13.144 -5.139) 14.554 8.334 ( 0.329 8.864 -5.367) 10.368 8.493 ( 1.698 -3.580 3.409) 5.227 8.855 ( -0.352 -4.380 -0.380) 4.411 9.533 ( 7.723 -6.907 -1.944) 10.541 10.053 ( -9.888 14.223 8.606) 19.343 10.140 ( -13.805 9.941 -7.151) 18.454 10.870 ( 3.669 14.230 -3.222) 15.044 10.939 ( -14.634 -2.187 -5.444) 15.766 11.920 ( 7.248 -4.809 0.224) 8.701 12.238 ( 4.074 -8.048 -0.263) 9.024 12.651 ( 2.903 6.990 1.949) 7.816 13.010 ( -8.414 -2.378 -4.393) 9.785 13.630 ( 10.763 -7.044 4.114) 13.505 16.472 ( 15.746 -19.961 2.572) 25.554 17.338 ( 7.508 -2.788 7.107) 10.707 19.138 ( -7.670 8.528 19.600) 22.709 19.645 ( -8.972 6.961 -21.727) 24.516 22.858 ( -3.192 3.091 1.167) 4.594======================= Grid point 72 (56/156) =======================q-point: ( 0.51 -0.06 -0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.372 ( -6.261 -8.906 4.535) 11.794 2.686 ( 14.106 1.227 0.486) 14.168 4.480 ( 5.954 -3.483 8.651) 11.065 5.163 ( -5.596 -1.019 -6.020) 8.282 5.346 ( -0.258 2.805 -0.154) 2.821 6.025 ( 3.113 0.466 3.912) 5.021 6.581 ( -2.697 -5.636 -1.138) 6.351 6.905 ( 3.635 1.015 -3.163) 4.925 7.084 ( 0.032 -1.425 3.832) 4.088 7.451 ( -3.799 -6.041 -5.294) 8.886 7.531 ( 2.388 6.639 2.956) 7.649 7.874 ( 2.987 1.542 -2.058) 3.942 8.453 ( 7.316 -0.524 1.462) 7.479 8.520 ( -1.952 -1.133 1.023) 2.478 8.834 ( 3.313 4.075 -1.417) 5.440 9.536 ( -0.113 -5.738 -3.485) 6.715 9.719 ( -8.936 -0.548 4.269) 9.919 10.346 ( -8.004 4.899 5.388) 10.821 10.591 ( -10.362 0.962 -11.731) 15.681 11.229 ( 1.628 12.620 -3.085) 13.093 11.800 ( 0.242 -11.139 -0.684) 11.163 12.263 ( 6.747 -1.700 5.202) 8.687 12.708 ( -1.946 -7.238 -1.411) 7.627 12.887 ( -3.709 8.776 -2.614) 9.879 13.706 ( 6.698 -3.912 2.100) 8.036 16.364 ( 7.729 -9.323 6.134) 13.575 17.705 ( 21.971 1.805 1.912) 22.128 18.910 ( -21.238 2.318 9.936) 23.562 19.664 ( -1.933 3.552 -11.355) 12.053 22.843 ( -2.477 1.272 1.446) 3.137======================= Grid point 73 (57/156) =======================q-point: (-0.21 -0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 540Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.674 ( -6.206 13.474 -21.931) 26.477 1.938 ( 6.238 -8.153 -22.343) 24.588 3.525 ( -0.345 -8.832 -39.871) 40.839 5.527 ( 0.259 -0.805 12.735) 12.763 5.530 ( -0.090 -1.387 13.146) 13.219 6.080 ( -0.900 6.473 -4.866) 8.148 6.822 ( -1.020 4.918 -3.046) 5.874 6.987 ( 2.735 4.526 -3.182) 6.172 7.092 ( -2.292 0.538 -1.449) 2.765 7.263 ( 1.378 0.609 0.214) 1.522 7.821 ( -4.090 6.534 -4.567) 8.960 7.939 ( 8.268 7.788 5.798) 12.753 8.387 ( -8.014 -2.880 2.339) 8.831 8.913 ( 2.788 -1.545 4.614) 5.608 9.125 ( 4.044 2.711 7.665) 9.081 9.235 ( -3.100 -11.844 6.096) 13.677 9.978 ( 3.882 8.748 11.566) 15.012 10.270 ( -7.008 -10.690 11.726) 17.346 10.657 ( 5.290 4.795 -4.042) 8.204 10.831 ( -1.943 -8.407 -2.437) 8.966 12.069 ( -0.129 -1.182 -2.308) 2.597 12.457 ( 0.140 7.751 3.502) 8.506 12.813 ( 4.985 2.137 -0.792) 5.481 12.861 ( -5.545 -1.637 -2.148) 6.168 13.674 ( 0.568 1.677 -7.861) 8.058 16.826 ( -2.820 4.713 -20.735) 21.450 17.538 ( 4.250 32.804 -14.226) 36.008 18.122 ( -0.748 -4.498 -7.753) 8.994 19.893 ( -0.767 -25.129 29.036) 38.408 22.464 ( -0.101 -5.506 -9.116) 10.650======================= Grid point 75 (58/156) =======================q-point: (-0.21 -0.06 0.35)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 540Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.378 ( -6.885 5.623 -8.791) 12.502 2.218 ( 14.415 -3.665 -14.078) 20.480 3.709 ( 2.566 2.175 -30.345) 30.531 5.469 ( -0.907 -4.144 6.608) 7.853 5.640 ( 0.027 6.327 12.714) 14.202 5.884 ( -3.486 -4.062 -0.550) 5.381 6.612 ( -8.919 -2.351 -6.055) 11.034 6.887 ( -4.812 -3.609 -9.612) 11.339 6.975 ( -4.074 2.054 -1.119) 4.698 7.293 ( 6.157 -3.743 0.144) 7.207 7.802 ( 6.408 -4.963 -1.707) 8.283 7.926 ( -7.555 7.489 4.939) 11.729 8.201 ( -3.691 -3.635 -4.069) 6.587 8.912 ( -1.809 -5.391 9.999) 11.503 8.968 ( -5.047 -1.229 3.939) 6.519 9.560 ( 4.130 1.609 1.436) 4.659 9.966 ( -10.509 0.563 6.117) 12.173 10.058 ( 0.840 1.533 -2.687) 3.206 11.004 ( 12.009 3.316 10.991) 16.614 11.028 ( 11.749 8.556 2.504) 14.749 11.978 ( -6.493 -5.179 -3.967) 9.204 12.255 ( -8.796 -0.033 0.745) 8.828 12.723 ( 0.379 -6.979 -0.353) 6.998 12.966 ( 1.244 9.324 1.993) 9.616 13.595 ( -2.347 -4.769 -5.679) 7.778 16.253 ( -23.655 -12.225 -17.792) 32.025 17.198 ( 4.355 -9.028 -15.293) 18.286 18.296 ( 5.528 5.323 -10.845) 13.285 20.391 ( 8.202 9.841 25.375) 28.426 22.615 ( 3.695 2.867 -6.604) 8.092======================= Grid point 76 (59/156) =======================q-point: (-0.21 -0.06 0.49)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 540Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.638 ( 8.888 10.016 5.650) 14.534 2.388 ( 10.476 -4.870 0.464) 11.562 3.669 ( -3.617 -3.463 -22.175) 22.733 5.384 ( 1.161 -2.226 2.055) 3.244 5.684 ( -7.190 -0.110 1.240) 7.297 5.841 ( 3.801 4.265 9.679) 11.239 6.540 ( 1.286 3.435 -6.559) 7.514 6.684 ( -2.562 -8.044 -7.392) 11.221 6.955 ( -2.028 2.483 -2.125) 3.846 7.381 ( 4.795 -0.935 -0.218) 4.890 7.611 ( -1.857 -13.637 -1.456) 13.839 7.934 ( -10.697 7.415 7.332) 14.939 8.197 ( 2.329 4.721 -7.655) 9.290 8.676 ( -1.159 -9.075 -4.614) 10.246 8.818 ( -2.953 -8.028 6.159) 10.541 9.547 ( -0.153 4.563 2.398) 5.157 9.864 ( -7.655 4.999 -0.533) 9.158 10.167 ( -0.548 4.069 -8.094) 9.076 11.316 ( 8.942 3.073 8.074) 12.434 11.481 ( 8.108 9.887 6.845) 14.503 11.651 ( -10.590 -4.792 -2.088) 11.810 12.135 ( -0.954 -0.564 3.505) 3.676 12.613 ( -1.913 -0.718 -1.380) 2.465 13.106 ( -4.525 -0.043 -2.144) 5.007 13.453 ( 4.108 -4.549 1.789) 6.385 15.653 ( -8.315 -9.787 -16.702) 21.068 17.103 ( 6.057 -11.243 -7.763) 14.945 18.514 ( 3.879 4.298 -14.813) 15.904 20.674 ( -0.736 9.819 22.223) 24.307 22.709 ( -0.002 2.532 -7.634) 8.043======================= Grid point 77 (60/156) =======================q-point: (-0.21 -0.06 -0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 540Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.876 ( 3.605 -2.615 0.158) 4.456 2.446 ( 0.342 -4.306 17.262) 17.794 3.560 ( 2.789 -1.418 -22.124) 22.344 5.378 ( -0.646 -1.885 5.001) 5.383 5.588 ( 0.900 2.035 -4.309) 4.850 6.072 ( 5.436 5.299 12.093) 14.279 6.415 ( -2.559 -6.932 -2.494) 7.799 6.692 ( -0.826 0.885 -12.185) 12.245 6.965 ( -4.332 2.725 -2.261) 5.595 7.285 ( -2.487 -6.190 -1.377) 6.812 7.428 ( 3.537 0.267 -0.655) 3.607 7.949 ( -0.129 6.181 7.490) 9.711 8.371 ( 2.300 5.312 -4.690) 7.450 8.531 ( 0.627 -3.918 -9.539) 10.332 8.610 ( 0.776 -7.502 2.037) 7.812 9.718 ( -0.937 3.642 15.406) 15.858 9.804 ( -2.141 4.288 -14.929) 15.680 10.192 ( -4.352 3.530 -11.355) 12.663 11.287 ( -10.078 0.123 -5.020) 11.260 11.519 ( -5.302 4.557 12.922) 14.692 11.731 ( 1.852 2.311 4.725) 5.576 12.180 ( 7.123 -2.744 5.556) 9.441 12.701 ( 3.233 8.132 -3.772) 9.529 12.832 ( -5.265 -8.500 -0.950) 10.044 13.506 ( 2.588 -2.544 3.712) 5.191 15.504 ( 8.031 -3.749 -15.524) 17.876 16.987 ( 2.421 -7.550 -6.480) 10.240 18.609 ( 0.340 -0.042 -15.085) 15.089 20.784 ( -5.077 6.129 21.152) 22.600 22.744 ( -0.634 1.541 -8.086) 8.256======================= Grid point 79 (61/156) =======================q-point: (-0.21 -0.06 -0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 540Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.809 ( 1.830 -5.220 -8.865) 10.449 2.145 ( -9.277 -10.916 10.475) 17.747 3.708 ( 5.245 2.297 -22.056) 22.787 5.339 ( 0.222 0.865 3.762) 3.866 5.721 ( 2.031 2.717 3.483) 4.862 6.060 ( 2.808 -10.759 9.329) 14.514 6.488 ( 1.444 11.259 -5.018) 12.411 6.604 ( 1.616 -1.769 -8.977) 9.291 6.883 ( -7.501 3.427 -2.721) 8.684 7.248 ( -0.473 2.099 0.773) 2.286 7.567 ( 3.418 0.197 -3.360) 4.797 8.117 ( -0.213 5.219 0.909) 5.302 8.396 ( 9.609 -9.749 2.317) 13.883 8.538 ( 1.342 2.976 -9.248) 9.807 8.726 ( 5.786 10.241 5.611) 13.032 9.611 ( -3.456 -2.094 1.132) 4.197 9.860 ( -8.515 3.350 -4.949) 10.403 10.220 ( 3.358 2.740 -3.897) 5.828 11.064 ( -13.887 0.685 3.350) 14.302 11.443 ( -6.336 -1.882 7.712) 10.157 11.741 ( 2.967 0.081 3.537) 4.617 12.303 ( 7.717 -1.659 -0.493) 7.909 12.568 ( -3.772 -2.661 4.996) 6.802 13.098 ( 3.635 15.455 -5.011) 16.649 13.396 ( 0.073 -9.085 1.927) 9.287 15.825 ( 19.573 5.571 -17.706) 26.975 16.894 ( -1.433 -2.247 -8.717) 9.116 18.527 ( -3.252 -4.320 -13.879) 14.895 20.715 ( -7.401 -0.171 21.535) 22.772 22.737 ( -1.303 -0.792 -6.240) 6.424======================= Grid point 80 (62/156) =======================q-point: (-0.21 -0.06 -0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 540Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.714 ( -17.109 7.198 -9.556) 20.877 1.872 ( 15.631 -13.201 -15.578) 25.715 3.738 ( -1.958 -3.965 -29.958) 30.283 5.432 ( 3.024 3.362 8.092) 9.270 5.663 ( -4.639 -2.952 11.842) 13.056 5.994 ( 3.101 -1.947 -0.496) 3.695 6.692 ( 2.903 5.491 -2.596) 6.732 6.834 ( 3.733 7.688 -9.313) 12.640 6.889 ( -0.740 10.613 -3.925) 11.339 7.236 ( 2.476 -4.806 -0.790) 5.464 7.635 ( 1.214 5.676 3.302) 6.678 8.010 ( -5.703 -5.837 -5.769) 9.993 8.496 ( 9.285 -5.694 4.934) 11.958 8.730 ( 1.111 10.930 0.546) 11.000 9.001 ( 2.693 3.000 7.549) 8.558 9.596 ( -3.207 -9.311 2.926) 10.273 9.690 ( -3.677 13.243 0.955) 13.777 10.414 ( 8.527 1.994 0.140) 8.758 10.699 ( -12.851 -6.594 8.324) 16.671 11.137 ( -5.102 -12.253 5.714) 14.450 11.959 ( 5.014 7.926 -1.888) 9.567 12.344 ( -1.967 1.571 -1.128) 2.759 12.617 ( 5.312 3.647 3.225) 7.205 13.095 ( -7.352 -5.512 2.042) 9.413 13.511 ( 6.257 6.917 -7.645) 12.060 16.560 ( 21.011 21.622 -18.113) 35.172 16.832 ( -1.173 -0.150 -15.456) 15.501 18.317 ( -4.543 -6.382 -11.270) 13.725 20.438 ( -9.255 -10.100 25.295) 28.766 22.632 ( -2.944 -4.756 -5.648) 7.949======================= Grid point 81 (63/156) =======================q-point: ( 0.07 -0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.622 ( -28.195 28.627 0.000) 40.181 0.695 ( 0.125 31.809 0.000) 31.810 0.937 ( 17.885 41.958 0.000) 45.611 5.798 ( 0.434 -11.846 -0.000) 11.854 5.928 ( -0.032 -1.722 -0.000) 1.723 6.267 ( 0.148 -2.232 -0.000) 2.237 6.284 ( -0.140 -0.871 -0.000) 0.882 6.656 ( 1.687 -4.661 -0.000) 4.957 6.843 ( -0.006 3.031 0.000) 3.031 7.005 ( -2.005 16.031 0.000) 16.156 7.395 ( -0.039 -1.089 -0.000) 1.089 8.140 ( -4.761 -4.317 0.000) 6.427 8.405 ( 4.957 -4.815 -0.000) 6.910 9.204 ( -4.168 -3.849 0.000) 5.673 9.410 ( 0.544 -4.972 -0.000) 5.001 10.126 ( -0.659 -11.540 -0.000) 11.559 10.231 ( 1.027 -12.233 -0.000) 12.276 10.334 ( -0.968 -4.580 -0.000) 4.681 10.667 ( -0.209 10.580 0.000) 10.582 11.446 ( -0.018 12.394 0.000) 12.394 11.859 ( -3.380 -1.549 0.000) 3.718 12.477 ( -6.040 1.461 0.000) 6.215 12.709 ( 16.172 0.604 -0.000) 16.183 13.295 ( 0.390 -6.505 -0.000) 6.517 14.070 ( -5.631 -2.246 0.000) 6.063 14.712 ( 0.006 0.970 0.000) 0.970 16.062 ( -1.616 3.838 0.000) 4.164 17.838 ( -1.787 5.427 0.000) 5.714 21.295 ( -0.138 0.643 0.000) 0.657 22.728 ( 3.742 -3.889 -0.000) 5.397======================= Grid point 82 (64/156) =======================q-point: ( 0.07 -0.07 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.813 ( -0.908 19.858 0.000) 19.878 1.497 ( 12.476 25.047 0.000) 27.982 2.184 ( 20.973 29.467 0.000) 36.169 5.526 ( -5.701 -4.353 0.000) 7.173 5.861 ( -1.232 -2.821 -0.000) 3.079 6.159 ( -3.322 -3.100 0.000) 4.544 6.285 ( 1.504 -1.241 -0.000) 1.950 6.657 ( 8.545 -4.940 -0.000) 9.870 6.932 ( 0.527 3.505 0.000) 3.544 7.336 ( 0.641 12.232 0.000) 12.249 7.368 ( 0.010 -0.336 -0.000) 0.336 7.869 ( -5.448 -8.285 -0.000) 9.915 8.316 ( -3.340 -9.119 -0.000) 9.712 8.862 ( -14.002 -5.051 0.000) 14.885 9.279 ( 0.860 -5.030 -0.000) 5.103 9.741 ( -13.851 -13.595 0.000) 19.408 9.849 ( -1.947 -8.772 -0.000) 8.985 10.324 ( 8.154 -6.866 -0.000) 10.660 10.909 ( 7.619 1.002 -0.000) 7.685 11.744 ( -0.066 -3.354 -0.000) 3.354 11.773 ( 3.053 11.930 0.000) 12.314 12.340 ( -7.775 -0.035 0.000) 7.775 13.056 ( 0.617 1.979 0.000) 2.073 13.133 ( -0.119 2.180 0.000) 2.183 13.702 ( -9.946 -10.067 -0.000) 14.152 14.749 ( 0.176 2.027 0.000) 2.035 16.326 ( 11.353 4.136 -0.000) 12.083 17.937 ( -1.596 8.244 0.000) 8.398 21.326 ( 3.708 -0.805 -0.000) 3.794 22.690 ( -1.530 -3.283 -0.000) 3.622======================= Grid point 83 (65/156) =======================q-point: ( 0.07 -0.07 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.299 ( 11.221 11.607 0.000) 16.144 2.179 ( 8.882 15.122 0.000) 17.537 3.008 ( 12.696 13.112 0.000) 18.251 5.437 ( -4.575 5.701 0.000) 7.310 5.779 ( -0.962 -1.992 -0.000) 2.212 6.026 ( -2.932 -2.485 0.000) 3.843 6.288 ( 1.369 -1.347 -0.000) 1.920 6.789 ( 9.770 -3.577 -0.000) 10.405 6.975 ( -1.692 1.742 0.000) 2.429 7.364 ( -4.641 -8.242 -0.000) 9.459 7.419 ( 2.161 2.612 0.000) 3.390 7.717 ( -3.476 6.572 0.000) 7.435 7.931 ( -4.146 -11.161 -0.000) 11.906 8.505 ( -14.833 -0.141 0.000) 14.833 9.190 ( -11.395 -10.385 0.000) 15.417 9.269 ( 3.371 -1.725 -0.000) 3.786 9.726 ( 4.861 -5.627 -0.000) 7.436 10.356 ( 8.487 -7.060 -0.000) 11.040 10.966 ( 4.926 -6.989 -0.000) 8.551 11.743 ( 5.225 -2.925 -0.000) 5.988 12.029 ( 0.875 7.551 0.000) 7.602 12.180 ( -8.800 3.417 0.000) 9.440 12.844 ( -5.004 -7.793 -0.000) 9.261 13.287 ( -12.511 6.652 0.000) 14.170 13.431 ( 8.213 -3.487 -0.000) 8.922 14.794 ( -0.645 2.365 0.000) 2.451 16.593 ( 4.540 4.550 0.000) 6.428 18.090 ( -1.178 7.423 0.000) 7.516 21.429 ( 9.924 -3.486 -0.000) 10.518 22.527 ( -6.777 -2.981 0.000) 7.404======================= Grid point 84 (66/156) =======================q-point: ( 0.07 -0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.662 ( 1.288 7.746 0.000) 7.852 2.442 ( -2.041 1.407 0.000) 2.479 3.277 ( 1.527 -2.578 -0.000) 2.997 5.450 ( -7.223 3.902 0.000) 8.210 5.757 ( 0.107 0.809 0.000) 0.816 5.955 ( -0.119 -0.389 -0.000) 0.407 6.288 ( 1.347 -1.344 -0.000) 1.903 6.780 ( 6.957 -13.917 -0.000) 15.559 6.970 ( -1.892 2.043 0.000) 2.785 7.172 ( 0.900 3.013 0.000) 3.145 7.499 ( -0.596 1.245 0.000) 1.380 7.841 ( -1.915 8.351 0.000) 8.568 7.915 ( 6.769 5.966 -0.000) 9.022 8.192 ( -13.053 -0.864 0.000) 13.081 8.917 ( -0.074 -1.297 -0.000) 1.299 9.284 ( 2.543 -3.373 -0.000) 4.224 9.759 ( 5.640 -3.429 -0.000) 6.601 10.377 ( 7.643 -7.215 -0.000) 10.511 10.969 ( 4.650 0.593 -0.000) 4.687 11.756 ( 6.751 -9.044 -0.000) 11.285 12.122 ( -2.947 3.108 0.000) 4.283 12.123 ( -9.183 7.716 0.000) 11.994 12.613 ( 5.500 -10.596 -0.000) 11.938 13.149 ( -4.947 -0.275 0.000) 4.954 13.599 ( -0.562 8.272 0.000) 8.291 14.813 ( -1.763 1.708 0.000) 2.455 16.740 ( -3.115 8.145 0.000) 8.720 18.149 ( -3.562 2.174 0.000) 4.172 21.554 ( 10.609 -7.378 -0.000) 12.922 22.332 ( -4.331 -1.885 0.000) 4.724======================= Grid point 86 (67/156) =======================q-point: ( 0.07 -0.07 -0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.646 ( -17.463 7.211 0.000) 18.893 2.161 ( -14.532 -9.692 0.000) 17.468 2.944 ( -12.233 -17.910 -0.000) 21.689 5.346 ( -2.943 1.166 0.000) 3.166 5.800 ( 1.088 1.651 0.000) 1.978 6.015 ( 2.970 2.614 -0.000) 3.956 6.289 ( 1.354 -1.325 -0.000) 1.894 6.625 ( 7.128 -12.726 -0.000) 14.586 6.979 ( -1.875 1.813 0.000) 2.608 7.435 ( -3.304 -1.476 0.000) 3.619 7.537 ( 9.811 14.898 0.000) 17.838 7.812 ( -15.204 1.955 0.000) 15.329 8.061 ( 6.796 -1.728 -0.000) 7.012 8.338 ( 7.163 17.394 0.000) 18.811 9.149 ( 11.830 9.334 -0.000) 15.069 9.254 ( 2.521 -3.186 -0.000) 4.062 9.808 ( 3.798 -0.806 -0.000) 3.882 10.372 ( 6.554 -7.396 -0.000) 9.882 11.132 ( 0.353 3.254 0.000) 3.273 11.693 ( 10.726 -10.328 -0.000) 14.890 12.034 ( -7.681 -0.664 0.000) 7.709 12.100 ( -7.211 9.200 0.000) 11.689 12.686 ( 13.539 -4.471 -0.000) 14.258 13.020 ( -3.694 -3.237 0.000) 4.911 13.771 ( -1.966 10.795 0.000) 10.972 14.793 ( -2.315 0.573 0.000) 2.385 16.758 ( -9.290 3.522 0.000) 9.935 18.059 ( -5.759 0.378 0.000) 5.771 21.503 ( 1.484 -8.492 -0.000) 8.621 22.340 ( 7.218 -0.755 -0.000) 7.257======================= Grid point 87 (68/156) =======================q-point: ( 0.07 -0.07 -0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.290 ( -31.543 10.665 0.000) 33.297 1.485 ( -24.398 -12.474 0.000) 27.402 2.017 ( -24.869 -29.842 -0.000) 38.846 5.475 ( 7.334 5.874 -0.000) 9.396 5.868 ( 2.281 1.141 -0.000) 2.550 6.155 ( 3.359 3.293 -0.000) 4.704 6.287 ( 1.194 -1.423 -0.000) 1.858 6.579 ( 8.076 -6.915 -0.000) 10.632 6.934 ( -3.611 -0.548 0.000) 3.652 7.376 ( -0.180 -0.052 0.000) 0.187 7.444 ( -17.783 -2.322 0.000) 17.934 8.007 ( 4.286 11.374 0.000) 12.155 8.199 ( 11.308 -4.085 -0.000) 12.023 8.899 ( 8.693 16.400 0.000) 18.561 9.293 ( 3.966 0.089 -0.000) 3.967 9.709 ( 15.394 13.119 -0.000) 20.226 9.914 ( 5.438 1.965 -0.000) 5.782 10.345 ( 5.833 -7.343 -0.000) 9.378 10.971 ( -6.032 -8.586 -0.000) 10.494 11.776 ( -12.116 -3.069 0.000) 12.499 11.815 ( 5.592 0.509 -0.000) 5.615 12.301 ( 0.740 15.517 0.000) 15.535 12.712 ( 2.446 -12.097 -0.000) 12.342 13.053 ( 8.157 4.226 -0.000) 9.187 13.971 ( -0.340 9.366 0.000) 9.373 14.748 ( -1.967 -0.172 0.000) 1.974 16.446 ( -10.414 -11.090 -0.000) 15.213 17.961 ( -7.474 3.152 0.000) 8.112 21.354 ( -0.961 -4.303 -0.000) 4.409 22.530 ( 9.461 0.399 -0.000) 9.470======================= Grid point 89 (69/156) =======================q-point: ( 0.35 -0.08 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 540Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.457 ( 6.302 11.683 -6.030) 14.580 2.433 ( -8.256 12.041 12.686) 19.341 3.754 ( 1.751 1.090 26.591) 26.670 5.408 ( -2.365 -4.665 -5.502) 7.591 5.635 ( 3.112 2.727 -9.778) 10.618 6.026 ( 5.731 4.499 -1.726) 7.488 6.475 ( 1.228 -6.435 4.773) 8.105 6.782 ( -3.112 -4.065 9.739) 11.003 6.819 ( -3.268 -4.771 3.917) 6.984 7.432 ( -5.380 4.178 1.366) 6.948 7.555 ( -2.118 -6.165 -4.204) 7.757 8.014 ( 1.941 2.823 0.552) 3.470 8.392 ( 12.652 -2.628 6.977) 14.686 8.776 ( -5.406 -3.254 -8.511) 10.595 9.005 ( 1.169 2.073 -4.630) 5.205 9.425 ( -7.159 -11.014 0.427) 13.143 9.694 ( 0.550 -3.486 0.256) 3.539 10.107 ( 7.567 -7.812 3.421) 11.402 10.946 ( -10.185 5.109 -7.337) 13.552 11.284 ( 1.118 5.642 -6.705) 8.834 11.821 ( 0.444 -9.501 1.256) 9.594 12.270 ( 5.166 5.375 -3.195) 8.111 12.655 ( -2.526 -7.820 1.498) 8.354 12.969 ( 1.430 1.459 -2.288) 3.067 13.585 ( -2.245 1.545 4.796) 5.517 16.142 ( 9.104 -10.746 13.842) 19.747 17.256 ( -12.842 8.227 21.621) 26.459 18.387 ( 1.744 6.574 5.005) 8.445 20.398 ( 2.463 -1.188 -21.373) 21.547 22.654 ( 1.052 0.875 5.820) 5.979======================= Grid point 90 (70/156) =======================q-point: ( 0.35 -0.08 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 540Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.934 ( 3.913 17.151 -6.064) 18.607 2.497 ( -8.105 12.581 1.993) 15.098 3.785 ( -2.617 1.790 23.409) 23.622 5.325 ( 0.261 -0.309 -6.083) 6.097 5.695 ( -0.712 -2.167 -7.297) 7.645 6.259 ( 2.902 7.554 -0.416) 8.103 6.387 ( -2.106 -3.026 2.048) 4.217 6.645 ( -0.955 -2.745 6.300) 6.939 6.697 ( 0.855 -0.218 4.693) 4.776 7.255 ( -3.381 -1.506 1.459) 3.978 7.615 ( 0.115 0.839 1.866) 2.050 7.982 ( -0.160 -5.661 -4.310) 7.117 8.439 ( 1.037 -5.378 10.296) 11.663 8.643 ( -3.164 -4.067 -7.049) 8.732 8.878 ( -12.862 4.605 0.090) 13.661 9.353 ( 14.501 -4.599 0.694) 15.229 9.628 ( 3.045 -7.030 7.586) 10.782 10.111 ( 4.185 -4.956 5.875) 8.752 10.817 ( 1.593 -4.341 0.211) 4.628 11.309 ( 2.932 -4.112 -18.652) 19.324 11.715 ( 2.009 -4.867 3.653) 6.409 12.369 ( -0.404 -7.069 3.365) 7.840 12.653 ( 3.712 11.182 -7.289) 13.854 12.895 ( -4.406 -4.359 0.221) 6.202 13.638 ( -3.017 7.365 2.343) 8.297 16.055 ( -6.913 -0.529 18.456) 19.716 17.221 ( -11.757 15.745 10.514) 22.286 18.572 ( 1.993 5.079 6.889) 8.788 20.402 ( 9.542 -10.779 -18.018) 23.063 22.671 ( 2.465 -2.906 5.861) 6.991======================= Grid point 91 (71/156) =======================q-point: ( 0.35 -0.08 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 540Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.174 ( -11.367 10.011 1.620) 15.233 2.622 ( -2.769 7.839 -12.083) 14.667 3.729 ( -6.674 4.277 23.034) 24.359 5.418 ( 2.906 5.005 -6.788) 8.920 5.532 ( -3.448 -5.436 -4.976) 8.137 6.161 ( -9.369 -2.276 4.080) 10.469 6.508 ( 4.117 6.694 0.142) 7.860 6.644 ( 0.127 -1.666 0.987) 1.940 6.785 ( 5.801 -2.040 7.592) 9.770 7.356 ( 7.399 7.124 4.050) 11.040 7.510 ( -5.543 -0.403 0.480) 5.578 7.841 ( -1.945 -3.800 -3.461) 5.496 8.239 ( -0.792 -8.934 -1.127) 9.040 8.647 ( 0.765 5.819 3.398) 6.782 8.828 ( -3.241 4.116 1.957) 5.593 9.513 ( 9.133 -6.687 -2.501) 11.593 9.537 ( 6.573 -10.560 8.189) 14.893 10.014 ( -1.739 -3.815 12.117) 12.822 10.969 ( 14.971 -0.566 1.410) 15.048 11.289 ( 4.482 -4.865 -22.924) 23.860 11.639 ( 2.633 -7.289 5.208) 9.338 12.265 ( 4.412 -4.621 1.528) 6.569 12.671 ( -10.317 -0.591 -0.186) 10.335 12.950 ( 2.507 8.176 -2.405) 8.883 13.687 ( -5.216 4.590 0.543) 6.970 15.887 ( -13.103 7.011 19.723) 24.694 17.392 ( -8.650 18.209 3.568) 20.473 18.638 ( -2.062 0.579 9.585) 9.821 20.358 ( 12.321 -14.488 -17.507) 25.850 22.648 ( 2.671 -3.842 7.082) 8.489======================= Grid point 93 (72/156) =======================q-point: ( 0.35 -0.08 -0.49)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 540Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.854 ( -22.077 -2.069 -11.428) 24.945 2.669 ( -6.290 3.973 3.374) 8.169 3.728 ( -2.343 3.674 23.357) 23.760 5.391 ( 0.410 -2.751 -3.923) 4.809 5.603 ( 1.611 3.732 -9.249) 10.103 5.990 ( -6.676 4.662 3.262) 8.772 6.510 ( -3.216 -4.784 3.315) 6.650 6.702 ( 4.414 2.353 2.614) 5.644 6.809 ( 3.284 -3.797 7.429) 8.966 7.460 ( 2.752 0.781 -2.021) 3.502 7.600 ( 2.172 -6.049 -0.445) 6.443 7.947 ( 1.437 16.523 1.930) 16.697 8.102 ( 2.234 -3.862 1.506) 4.709 8.739 ( 1.758 0.627 -0.244) 1.882 8.960 ( 1.607 6.491 -1.165) 6.788 9.460 ( 5.891 -9.786 6.903) 13.346 9.503 ( 4.382 -1.273 -5.089) 6.835 9.979 ( 5.261 -3.765 9.753) 11.704 11.184 ( 8.645 -10.614 -2.852) 13.983 11.299 ( 4.054 -2.730 -17.351) 18.026 11.598 ( 4.264 1.898 7.660) 8.970 12.331 ( -1.897 2.768 -3.512) 4.858 12.496 ( -0.941 0.611 1.082) 1.559 13.056 ( -0.139 -1.471 0.030) 1.478 13.639 ( -5.599 3.177 0.924) 6.503 15.867 ( -4.961 10.404 17.176) 20.685 17.510 ( -9.866 8.348 9.828) 16.236 18.525 ( -5.034 -2.460 7.613) 9.453 20.339 ( 9.797 -8.832 -18.688) 22.875 22.639 ( 2.228 -1.737 7.296) 7.824======================= Grid point 97 (73/156) =======================q-point: (-0.37 -0.08 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.825 ( -5.052 27.722 -8.803) 29.521 2.730 ( 4.701 -4.307 -8.597) 10.704 4.642 ( -0.609 3.671 -9.935) 10.609 5.109 ( 1.990 2.049 5.001) 5.759 5.281 ( -1.625 -4.225 1.253) 4.697 6.149 ( -1.730 5.706 -4.137) 7.257 6.710 ( 0.486 8.817 3.240) 9.406 6.946 ( 0.553 0.512 4.713) 4.773 7.104 ( -1.414 -0.336 -4.146) 4.393 7.313 ( 2.978 -7.534 1.608) 8.259 7.526 ( 2.243 4.151 1.397) 4.921 7.963 ( -5.461 1.655 4.159) 7.061 8.292 ( 3.593 -9.609 3.600) 10.872 8.742 ( -9.473 1.565 -5.984) 11.314 8.822 ( 4.342 2.672 4.881) 7.058 9.371 ( 3.704 -0.442 4.768) 6.054 9.732 ( 1.582 -7.229 -3.228) 8.074 10.097 ( -3.025 -18.697 8.479) 20.751 10.490 ( 1.559 14.261 1.701) 14.447 11.018 ( -0.546 -8.190 1.911) 8.428 12.014 ( 0.347 6.624 3.966) 7.728 12.316 ( -1.054 -8.276 0.685) 8.371 12.657 ( 5.985 8.945 0.969) 10.806 12.944 ( -6.025 1.349 -1.493) 6.352 13.856 ( 1.235 4.914 -3.374) 6.087 16.853 ( -2.237 25.534 -2.454) 25.749 18.004 ( 5.555 -1.377 -12.320) 13.584 18.502 ( -2.962 -2.976 -4.922) 6.470 19.445 ( -0.609 -15.607 10.928) 19.063 22.760 ( -0.038 -3.482 -1.110) 3.654======================= Grid point 98 (74/156) =======================q-point: (-0.37 -0.08 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.342 ( -0.453 20.661 -12.223) 24.010 2.496 ( -15.268 -4.869 -9.202) 18.479 4.668 ( -2.043 2.515 -10.717) 11.196 5.162 ( -1.714 -2.250 1.298) 3.112 5.218 ( 4.053 -0.392 3.310) 5.247 6.232 ( -4.368 5.765 -4.789) 8.674 6.863 ( -2.334 3.430 2.222) 4.706 6.909 ( -4.601 1.720 7.640) 9.082 7.073 ( 2.468 1.511 -1.433) 3.229 7.218 ( 3.397 -6.432 -0.064) 7.274 7.642 ( -7.523 -0.633 4.289) 8.683 7.948 ( 7.296 8.201 2.853) 11.342 8.146 ( 0.206 -8.777 4.203) 9.734 8.712 ( -4.236 8.924 1.336) 9.968 8.900 ( -1.057 0.725 2.649) 2.943 9.473 ( 7.746 -16.000 -11.962) 21.427 9.610 ( 11.719 -9.706 9.848) 18.126 9.777 ( 2.581 0.406 10.668) 10.983 10.780 ( -3.132 3.155 3.217) 5.488 10.870 ( -1.455 1.503 -1.569) 2.615 12.069 ( -0.821 0.789 7.614) 7.698 12.193 ( 6.071 -6.079 3.998) 9.476 12.791 ( -9.793 3.894 -2.561) 10.845 12.962 ( 3.160 3.391 -0.992) 4.740 13.902 ( -4.146 3.226 -3.813) 6.491 17.361 ( -18.615 26.728 2.201) 32.646 17.625 ( -12.808 3.081 -14.023) 19.240 18.728 ( 11.006 -9.602 -15.153) 21.047 19.153 ( 15.426 -15.056 17.149) 27.545 22.719 ( 2.863 -2.841 -1.209) 4.210======================= Grid point 101 (75/156) =======================q-point: (-0.37 -0.08 0.66)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.696 ( 17.592 7.803 -0.312) 19.248 2.253 ( -4.237 -20.654 7.613) 22.416 4.316 ( 2.201 -6.458 -8.031) 10.538 5.284 ( 0.587 5.682 3.042) 6.472 5.368 ( -2.873 0.993 0.813) 3.147 6.021 ( 5.377 -4.715 -0.192) 7.155 6.554 ( -1.134 0.302 -2.307) 2.589 6.885 ( -0.801 1.025 0.363) 1.351 7.063 ( -1.735 1.991 -1.432) 3.004 7.365 ( -0.440 -0.818 2.551) 2.715 7.611 ( 2.172 0.653 1.324) 2.626 7.745 ( 0.880 -14.024 -5.277) 15.010 8.278 ( -4.206 3.205 -2.294) 5.764 8.583 ( -0.536 3.643 4.869) 6.105 8.843 ( 3.084 -5.758 -0.562) 6.556 9.369 ( 2.685 -4.630 -0.737) 5.402 10.093 ( -2.583 19.874 -6.762) 21.151 10.501 ( -6.435 3.841 -2.060) 7.772 10.788 ( -5.109 15.502 4.120) 16.834 11.231 ( -12.671 -0.015 2.521) 12.920 11.747 ( 8.502 -2.739 0.183) 8.935 12.112 ( 5.218 -9.079 -0.477) 10.483 12.672 ( -2.356 7.292 -0.695) 7.695 13.067 ( -2.913 -0.427 -1.750) 3.425 13.494 ( 6.469 -10.223 2.099) 12.279 16.137 ( 8.330 -12.428 -6.061) 16.142 17.361 ( 1.927 -12.069 1.336) 12.294 19.291 ( -0.213 9.712 -18.261) 20.684 19.715 ( -5.241 6.253 19.019) 20.696 22.903 ( -1.537 3.125 -1.922) 3.978======================= Grid point 102 (76/156) =======================q-point: (-0.37 -0.08 -0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.729 ( -10.044 -10.026 10.321) 17.548 2.214 ( 22.464 -2.597 -2.796) 22.786 4.334 ( 7.578 -1.914 -6.639) 10.256 5.244 ( -6.360 -1.129 -0.929) 6.526 5.418 ( -0.094 3.600 5.503) 6.577 6.026 ( 4.447 -3.398 2.915) 6.310 6.555 ( 0.461 -0.574 -4.954) 5.009 6.821 ( -4.024 2.111 -0.948) 4.642 7.096 ( -0.047 0.061 -1.991) 1.993 7.374 ( -2.439 -8.575 -6.796) 11.210 7.505 ( 5.122 4.887 1.992) 7.354 7.800 ( 6.786 3.249 3.301) 8.216 8.350 ( 2.694 3.786 1.027) 4.759 8.634 ( -3.166 -6.273 2.369) 7.415 8.739 ( 2.853 2.685 -1.361) 4.148 9.413 ( 5.937 -2.016 1.985) 6.577 10.130 ( -19.642 2.976 -4.565) 20.384 10.472 ( -2.342 5.827 -2.381) 6.717 10.804 ( -18.372 1.650 0.121) 18.446 11.136 ( -0.635 13.404 -0.435) 13.426 11.758 ( 2.594 -7.980 -0.617) 8.413 12.165 ( 11.279 -3.203 4.504) 12.561 12.757 ( -4.926 -6.291 -0.827) 8.033 12.919 ( -3.962 11.113 -3.654) 12.352 13.531 ( 10.861 -7.406 1.339) 13.214 16.184 ( 14.793 -6.831 -1.466) 16.360 17.313 ( 9.367 -3.376 -3.492) 10.552 19.260 ( -10.600 -0.192 -17.787) 20.707 19.757 ( -4.641 6.047 19.801) 21.218 22.905 ( -3.041 1.606 -1.700) 3.836======================= Grid point 104 (77/156) =======================q-point: (-0.09 -0.09 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 156Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.296 ( -0.000 0.000 -28.806) 28.806 1.296 ( -0.000 0.000 -28.806) 28.806 2.406 ( -0.000 0.000 -52.776) 52.776 5.816 ( 0.000 -0.000 15.307) 15.307 5.816 ( 0.000 -0.000 15.307) 15.307 6.063 ( -0.000 0.000 -4.360) 4.360 6.837 ( -0.000 0.000 -1.560) 1.560 6.957 ( -0.000 0.000 -6.641) 6.641 6.957 ( -0.000 0.000 -6.641) 6.641 7.290 ( 0.000 -0.000 1.453) 1.453 8.116 ( 0.000 -0.000 3.390) 3.390 8.116 ( 0.000 -0.000 3.390) 3.390 8.417 ( 0.000 -0.000 2.685) 2.685 8.693 ( -0.000 0.000 -0.600) 0.600 9.311 ( 0.000 -0.000 6.292) 6.292 9.311 ( 0.000 -0.000 6.292) 6.292 10.301 ( 0.000 -0.000 6.164) 6.164 10.553 ( 0.000 -0.000 24.736) 24.736 10.574 ( -0.000 0.000 -7.541) 7.541 10.574 ( -0.000 0.000 -7.541) 7.541 12.021 ( -0.000 0.000 -2.013) 2.013 12.588 ( -0.000 0.000 -1.276) 1.276 12.777 ( -0.000 0.000 -2.991) 2.991 12.777 ( -0.000 0.000 -2.991) 2.991 13.527 ( -0.000 0.000 -7.003) 7.003 16.420 ( -0.000 0.000 -18.241) 18.241 17.918 ( -0.000 0.000 -6.401) 6.401 17.918 ( -0.000 0.000 -6.401) 6.401 20.092 ( 0.000 -0.000 29.684) 29.684 22.116 ( -0.000 0.000 -16.165) 16.165======================= Grid point 106 (78/156) =======================q-point: (-0.09 -0.09 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 540Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.440 ( 7.903 8.560 -9.218) 14.856 2.006 ( 19.482 9.938 -3.781) 22.195 3.196 ( 3.407 6.108 -25.948) 26.874 5.413 ( -4.610 -3.239 -0.899) 5.705 5.890 ( -5.506 -4.843 5.718) 9.299 6.040 ( 0.863 6.858 7.590) 10.266 6.412 ( -5.276 -0.572 -9.041) 10.483 6.601 ( -1.761 -3.371 -2.221) 4.404 6.950 ( 2.098 -3.796 -0.700) 4.393 7.258 ( 5.503 0.277 0.923) 5.587 7.631 ( -1.360 -8.577 -0.886) 8.729 7.941 ( 2.299 3.985 -8.473) 9.642 8.301 ( -11.841 5.014 0.370) 12.864 8.630 ( -5.171 -14.592 -3.931) 15.973 9.086 ( -5.409 -7.634 8.484) 12.630 9.536 ( -4.915 -2.023 -3.601) 6.420 9.877 ( 6.575 -3.008 -1.267) 7.341 10.264 ( -7.455 2.024 5.182) 9.302 11.112 ( 12.809 1.560 1.349) 12.974 11.476 ( 9.077 8.718 10.113) 16.145 11.834 ( -5.028 -2.393 1.391) 5.739 12.220 ( -5.707 -0.787 -3.138) 6.560 12.723 ( -1.852 0.513 9.061) 9.263 13.137 ( -4.538 5.328 -4.313) 8.221 13.386 ( 6.067 -6.790 1.886) 9.299 15.550 ( -18.599 -10.112 -23.843) 31.885 16.784 ( 7.985 -5.555 -8.498) 12.916 18.166 ( 3.698 4.768 -10.003) 11.683 21.070 ( 4.540 5.938 19.221) 20.623 22.567 ( -0.444 3.590 -4.672) 5.909======================= Grid point 107 (79/156) =======================q-point: (-0.09 -0.09 0.52)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 540Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.749 ( 7.079 1.906 -5.163) 8.967 2.632 ( 13.396 12.466 8.978) 20.383 3.161 ( -6.438 -4.830 -16.265) 18.148 5.394 ( 2.874 2.799 -0.525) 4.046 5.615 ( -7.418 -5.342 3.498) 9.787 6.190 ( -0.251 5.083 -4.986) 7.124 6.440 ( 0.860 3.531 -7.276) 8.133 6.505 ( 1.301 -4.563 13.789) 14.583 6.961 ( 1.338 0.647 -1.471) 2.091 7.317 ( -2.199 -9.122 -0.947) 9.431 7.376 ( 0.090 0.958 -1.925) 2.152 8.090 ( 3.378 0.540 -4.883) 5.962 8.178 ( -7.414 5.187 -5.083) 10.379 8.305 ( -1.641 -6.688 -9.762) 11.947 8.759 ( -4.424 -6.760 7.692) 11.155 9.542 ( 0.398 2.292 -10.027) 10.294 9.977 ( 4.617 0.843 -3.787) 6.031 10.135 ( -4.984 -1.344 9.089) 10.452 11.211 ( 2.636 -4.915 -6.553) 8.605 11.733 ( 2.968 2.483 6.980) 7.981 11.845 ( 1.775 4.588 7.274) 8.781 12.150 ( -1.859 0.905 -3.405) 3.983 12.722 ( -3.574 6.128 5.198) 8.794 12.915 ( -2.473 -10.560 1.869) 11.006 13.513 ( 3.465 1.831 1.928) 4.368 15.161 ( -5.829 -2.808 -16.138) 17.387 16.806 ( 2.770 -2.781 -5.618) 6.853 18.311 ( 1.590 2.441 -10.607) 11.000 21.234 ( 2.152 2.225 17.565) 17.836 22.571 ( -1.693 0.699 -8.818) 9.006======================= Grid point 111 (80/156) =======================q-point: ( 0.19 -0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.158 ( -4.349 26.297 -2.178) 26.743 1.443 ( -8.171 24.750 12.529) 28.919 2.203 ( 5.879 23.625 33.704) 41.578 5.574 ( 1.439 -8.558 0.798) 8.714 6.081 ( 0.901 -5.831 -1.308) 6.044 6.137 ( 0.607 -2.476 -2.510) 3.577 6.241 ( -0.119 -4.786 11.409) 12.373 6.575 ( 3.874 -8.716 3.592) 10.192 6.861 ( -3.620 3.210 -3.993) 6.273 7.300 ( -2.166 5.344 -1.457) 5.948 7.551 ( -0.360 9.603 9.365) 13.419 7.981 ( -6.946 -7.497 -2.865) 10.614 8.296 ( 8.251 -5.834 1.988) 10.299 9.063 ( -2.596 -7.736 -0.457) 8.173 9.259 ( -1.568 -4.519 -3.337) 5.832 9.776 ( 1.816 -10.955 -6.746) 12.993 9.956 ( -7.352 -9.056 -2.925) 12.026 10.201 ( 5.338 -9.555 1.561) 11.056 10.832 ( -3.377 6.161 0.696) 7.060 11.564 ( 0.009 15.589 -13.489) 20.615 11.845 ( -1.719 -6.290 3.682) 7.488 12.529 ( -6.796 0.582 -0.307) 6.828 12.694 ( 18.689 0.723 -4.167) 19.162 13.073 ( 2.091 -2.621 -5.378) 6.337 13.538 ( -8.290 6.311 -14.179) 17.595 15.514 ( 4.249 -22.288 42.994) 48.614 16.310 ( -8.211 10.130 9.791) 16.307 18.025 ( -1.212 8.364 3.108) 9.005 21.197 ( 0.179 -1.032 -10.865) 10.916 22.502 ( 4.756 2.391 -6.512) 8.411======================= Grid point 112 (81/156) =======================q-point: ( 0.19 -0.10 0.24)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.394 ( -10.786 20.481 8.749) 24.745 2.066 ( 9.274 23.259 3.642) 25.303 2.820 ( 10.978 11.757 13.714) 21.138 5.479 ( -1.915 1.492 -2.292) 3.338 5.918 ( -3.579 -4.076 6.764) 8.671 6.109 ( -1.786 -1.550 0.011) 2.365 6.222 ( 3.272 -1.619 1.413) 3.914 6.564 ( 10.579 -6.035 1.977) 12.339 6.895 ( -2.520 4.875 -10.252) 11.628 7.317 ( -2.264 1.630 -2.072) 3.475 7.539 ( -5.180 -5.379 2.430) 7.854 7.885 ( -1.043 7.037 6.230) 9.457 8.160 ( -5.754 -9.900 6.678) 13.256 8.800 ( -11.203 -1.503 0.109) 11.304 9.134 ( 0.979 -5.850 -3.962) 7.134 9.436 ( -5.558 -11.198 -1.013) 12.542 9.659 ( 0.165 -7.989 -0.324) 7.997 10.150 ( 9.080 -11.002 2.367) 14.460 10.859 ( 5.217 -5.868 1.597) 8.013 11.694 ( 1.876 -4.966 2.994) 6.095 11.887 ( 1.379 10.052 -11.342) 15.218 12.352 ( -6.279 -1.365 1.301) 6.556 12.959 ( -2.055 -3.525 -1.072) 4.219 13.099 ( 10.781 -5.556 -10.213) 15.856 13.455 ( -9.266 10.024 -6.531) 15.133 15.159 ( -7.466 -3.910 26.982) 28.268 16.548 ( 2.164 12.523 4.622) 13.523 18.179 ( -2.706 9.780 3.469) 10.724 21.182 ( 6.573 -6.735 -7.403) 11.974 22.570 ( 2.134 -3.593 -0.376) 4.195======================= Grid point 113 (82/156) =======================q-point: ( 0.19 -0.10 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.680 ( -1.015 15.995 5.431) 16.923 2.609 ( 3.737 11.228 13.418) 17.891 3.105 ( 3.871 0.354 -4.668) 6.075 5.552 ( -2.220 7.809 -4.525) 9.294 5.760 ( -6.151 -1.329 -1.071) 6.383 6.029 ( -1.083 -2.225 4.945) 5.530 6.263 ( 3.485 -1.578 2.002) 4.318 6.654 ( 8.174 -8.157 2.717) 11.863 6.937 ( -3.323 4.980 -9.129) 10.917 7.212 ( -0.936 -4.202 -0.118) 4.307 7.434 ( -2.670 2.276 -1.310) 3.745 7.904 ( -0.133 -2.120 9.973) 10.196 8.024 ( -0.147 6.927 6.332) 9.386 8.512 ( -15.087 1.412 0.696) 15.169 8.899 ( -4.240 -6.418 -7.235) 10.560 9.298 ( 2.528 -4.708 7.444) 9.164 9.636 ( 9.831 -5.549 3.216) 11.737 10.105 ( 9.671 -11.770 -3.610) 15.655 10.870 ( 8.873 -4.479 3.324) 10.480 11.636 ( 5.544 -9.486 1.954) 11.160 12.072 ( -0.318 5.638 -9.729) 11.249 12.264 ( -1.036 1.498 1.535) 2.382 12.657 ( -7.963 -9.067 2.072) 12.244 13.139 ( -1.007 0.905 -9.037) 9.138 13.595 ( -0.623 8.139 -1.172) 8.246 15.015 ( -6.142 2.789 14.074) 15.607 16.842 ( -3.476 15.517 2.945) 16.172 18.283 ( -4.729 6.243 3.595) 8.618 21.200 ( 12.996 -11.338 -7.175) 18.680 22.469 ( -2.210 -4.450 3.596) 6.133======================= Grid point 114 (83/156) =======================q-point: ( 0.19 -0.10 -0.47)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.918 ( -6.810 11.460 2.286) 13.526 2.603 ( -11.337 -3.691 14.730) 18.951 3.045 ( -1.871 -7.857 -5.033) 9.517 5.500 ( -10.672 1.334 -1.636) 10.879 5.750 ( 1.588 4.775 -3.812) 6.313 5.997 ( 2.062 -1.139 2.470) 3.413 6.260 ( 1.042 -3.035 2.233) 3.909 6.553 ( 2.659 -9.380 5.174) 11.037 6.963 ( -2.491 2.942 -6.363) 7.440 7.357 ( 7.332 11.066 2.900) 13.588 7.469 ( 0.697 1.786 -2.356) 3.038 7.904 ( 4.825 -4.638 2.777) 7.246 8.149 ( -7.166 -1.261 0.851) 7.325 8.349 ( -3.838 15.244 6.001) 16.826 8.902 ( 6.605 5.040 -3.515) 9.021 9.251 ( 3.312 -4.939 5.979) 8.433 9.725 ( 8.200 -4.574 5.152) 10.710 10.080 ( 11.229 -11.362 -7.755) 17.758 11.098 ( 9.792 5.135 5.486) 12.343 11.482 ( 7.428 -16.662 1.286) 18.288 12.085 ( -5.787 0.905 -9.286) 10.979 12.347 ( -10.467 10.559 1.176) 14.914 12.418 ( 10.330 -7.264 1.357) 12.701 13.098 ( -3.576 -0.464 -2.456) 4.363 13.712 ( -1.417 4.955 -5.483) 7.525 14.988 ( -3.820 4.769 11.690) 13.190 17.013 ( -10.352 11.901 3.513) 16.160 18.240 ( -7.037 2.765 3.770) 8.448 21.225 ( 13.155 -13.214 -9.191) 20.788 22.354 ( -0.489 -1.999 6.140) 6.475======================= Grid point 115 (84/156) =======================q-point: ( 0.19 -0.10 -0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.774 ( -23.452 3.370 -5.661) 24.360 2.109 ( -20.372 -7.326 8.140) 23.128 2.672 ( -11.081 -12.370 18.487) 24.851 5.407 ( -1.452 4.066 -0.277) 4.327 5.898 ( 4.881 2.939 5.079) 7.632 6.060 ( 2.439 1.455 -5.446) 6.143 6.226 ( 1.329 -2.151 1.817) 3.114 6.457 ( 4.158 -4.896 4.447) 7.813 6.954 ( -2.021 0.272 -5.001) 5.401 7.405 ( -3.279 -0.816 0.204) 3.385 7.822 ( -1.704 -2.161 6.083) 6.676 7.922 ( -1.236 13.217 0.030) 13.275 7.947 ( 7.279 -4.365 -2.070) 8.736 8.731 ( 8.442 11.164 2.655) 14.246 9.222 ( 2.979 0.566 -1.024) 3.200 9.346 ( 13.710 8.168 -0.397) 15.964 9.831 ( 7.223 -0.275 4.376) 8.450 10.081 ( 10.987 -10.882 -7.329) 17.113 11.099 ( -1.760 -11.789 4.754) 12.833 11.595 ( 15.539 1.313 2.370) 15.774 11.885 ( -11.848 -0.775 -11.809) 16.746 12.391 ( -5.602 13.636 0.625) 14.755 12.591 ( 8.427 -3.247 -2.001) 9.250 12.997 ( -1.652 -0.839 1.490) 2.378 13.734 ( -3.114 0.374 -13.061) 13.432 15.095 ( 3.292 7.520 21.056) 22.599 16.809 ( -14.272 -6.128 7.890) 17.421 18.160 ( -7.893 4.363 2.924) 9.481 21.199 ( 6.820 -8.279 -10.361) 14.913 22.391 ( 3.577 1.704 3.822) 5.506======================= Grid point 118 (85/156) =======================q-point: ( 0.47 -0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 540Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.610 ( 2.504 22.460 -10.722) 25.014 2.799 ( -3.339 4.873 4.979) 7.726 4.241 ( 1.908 2.438 19.040) 19.290 5.207 ( -2.417 -0.658 -6.985) 7.420 5.507 ( 2.838 0.243 -7.246) 7.786 6.140 ( 3.062 7.061 -1.093) 7.774 6.460 ( -1.074 -0.811 1.712) 2.178 6.800 ( -1.914 -6.208 5.948) 8.808 6.913 ( -2.205 -0.345 8.445) 8.735 7.362 ( -3.245 -1.562 0.572) 3.646 7.621 ( 1.441 0.815 1.367) 2.147 7.897 ( -2.259 -4.504 -5.185) 7.230 8.457 ( 10.782 -6.832 4.628) 13.577 8.612 ( -1.675 2.159 -2.351) 3.604 9.006 ( -1.417 1.942 -4.516) 5.116 9.261 ( -6.030 -6.076 2.146) 8.825 9.683 ( 7.142 -3.330 6.484) 10.205 10.098 ( 0.850 0.591 5.063) 5.168 10.716 ( -4.836 -3.641 -16.844) 17.898 11.136 ( -2.960 -13.348 2.279) 13.861 11.763 ( 0.663 0.835 3.188) 3.361 12.401 ( 5.812 1.614 2.340) 6.470 12.502 ( -0.651 -1.501 -1.350) 2.121 12.962 ( -4.407 1.895 -1.595) 5.055 13.741 ( 0.456 4.901 3.014) 5.771 16.336 ( 4.934 6.453 9.804) 12.732 17.816 ( -8.809 6.312 15.729) 19.101 18.569 ( 2.502 3.290 1.719) 4.476 19.900 ( 2.098 -8.279 -16.501) 18.580 22.745 ( 0.328 -2.276 4.505) 5.058======================= Grid point 119 (86/156) =======================q-point: ( 0.47 -0.10 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 540Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.211 ( 2.576 24.404 -8.721) 26.043 2.695 ( -15.077 3.344 0.031) 15.443 4.302 ( -5.425 5.487 17.986) 19.571 5.231 ( 2.399 3.128 -5.304) 6.608 5.467 ( -1.725 -4.981 -7.317) 9.018 6.332 ( -1.124 7.226 -7.386) 10.394 6.453 ( -2.166 1.705 7.185) 7.695 6.686 ( 0.950 -2.015 4.837) 5.325 6.915 ( 2.651 -0.158 13.188) 13.452 7.313 ( 1.645 -0.544 0.376) 1.773 7.575 ( -1.606 -2.406 -1.755) 3.384 7.823 ( 0.374 0.330 -0.672) 0.837 8.258 ( -4.282 -11.964 -1.860) 12.842 8.690 ( 1.465 3.245 3.967) 5.331 8.903 ( -4.920 -0.521 -4.747) 6.857 9.313 ( 13.193 -2.899 6.694) 15.075 9.585 ( 2.883 -12.349 7.823) 14.900 10.315 ( 0.276 6.727 9.948) 12.012 10.567 ( 4.699 -6.477 -22.969) 24.323 10.880 ( 2.185 -6.038 0.448) 6.436 11.729 ( 2.541 -5.770 8.569) 10.638 12.245 ( 2.891 -9.250 3.423) 10.278 12.802 ( -1.047 8.339 -3.509) 9.107 12.874 ( -3.236 4.175 -0.629) 5.319 13.826 ( -3.938 5.537 2.100) 7.112 16.533 ( -8.705 12.223 15.768) 21.767 17.685 ( -15.253 12.996 2.761) 20.228 18.778 ( 7.348 0.820 6.940) 10.140 19.751 ( 9.150 -15.794 -16.964) 24.919 22.707 ( 2.726 -3.992 4.845) 6.844======================= Grid point 120 (87/156) =======================q-point: ( 0.47 -0.10 -0.61)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 540Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.202 ( -26.753 -1.336 -5.935) 27.436 2.721 ( 0.122 13.743 -3.521) 14.187 4.268 ( -7.196 5.239 18.042) 20.118 5.301 ( -2.236 -4.709 -5.984) 7.936 5.393 ( 3.407 4.372 -6.202) 8.318 6.260 ( -9.390 2.335 2.073) 9.896 6.517 ( -1.062 0.671 -1.449) 1.918 6.704 ( 4.503 -1.553 6.694) 8.216 6.943 ( 1.422 -1.736 9.610) 9.869 7.366 ( 3.417 -2.495 -0.852) 4.316 7.559 ( 2.729 0.856 -0.953) 3.015 7.909 ( 0.067 0.482 -2.705) 2.749 8.086 ( 4.039 4.945 5.128) 8.189 8.714 ( -3.325 -1.126 -3.723) 5.117 8.894 ( 4.398 2.489 0.729) 5.105 9.376 ( 4.413 -11.979 5.122) 13.756 9.517 ( 7.947 -1.657 7.267) 10.895 10.219 ( -7.762 -1.029 8.900) 11.854 10.654 ( 10.279 -4.512 -22.989) 25.584 10.962 ( 8.825 -2.190 0.378) 9.100 11.713 ( 5.164 -2.635 10.689) 12.160 12.226 ( 7.530 -2.600 2.571) 8.371 12.659 ( -12.112 2.647 -2.815) 12.714 13.040 ( 1.160 1.413 -0.498) 1.895 13.807 ( -6.535 4.038 1.691) 7.866 16.455 ( -16.687 8.911 16.403) 25.039 17.806 ( -7.034 16.803 0.672) 18.228 18.762 ( -1.138 -8.981 8.315) 12.292 19.715 ( 13.956 -9.170 -16.942) 23.788 22.702 ( 3.679 -2.698 5.106) 6.848======================= Grid point 123 (88/156) =======================q-point: ( 0.47 -0.10 -0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 540Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.741 ( -10.820 -17.388 7.246) 21.724 2.174 ( 15.575 11.676 2.622) 19.642 4.201 ( 3.739 -5.485 18.442) 19.600 5.271 ( 1.254 2.180 -5.169) 5.748 5.515 ( -5.511 3.011 -10.762) 12.460 5.918 ( 0.422 -7.488 5.276) 9.169 6.718 ( -0.419 -2.390 5.562) 6.068 6.828 ( 10.367 -3.571 -1.121) 11.022 6.992 ( 1.782 1.408 2.909) 3.691 7.284 ( 0.417 3.598 2.738) 4.541 7.649 ( 4.364 3.625 0.613) 5.706 8.009 ( -7.260 -14.447 -9.634) 18.821 8.284 ( -0.127 7.020 6.532) 9.590 8.605 ( 3.248 -3.263 -9.088) 10.187 8.856 ( 3.424 -4.137 -0.216) 5.374 9.562 ( 3.656 -5.390 -0.967) 6.584 9.928 ( -5.463 10.767 3.550) 12.585 10.228 ( -8.697 2.266 -0.914) 9.034 10.903 ( -0.855 12.490 -3.752) 13.069 11.118 ( -11.797 6.614 -8.765) 16.116 11.881 ( 9.829 -5.798 2.837) 11.759 12.260 ( 0.095 -10.300 -1.338) 10.387 12.604 ( 4.599 5.317 2.078) 7.330 13.111 ( -9.704 0.785 -4.805) 10.857 13.524 ( 11.875 -5.833 5.916) 14.492 16.329 ( 12.518 -23.895 11.444) 29.302 17.162 ( 9.084 3.547 9.381) 13.531 18.752 ( -6.511 6.598 17.607) 19.898 20.117 ( -9.877 7.063 -23.757) 26.680 22.801 ( -3.203 2.748 4.267) 6.002======================= Grid point 125 (89/156) =======================q-point: (-0.25 -0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.077 ( -4.903 18.058 -16.913) 25.223 2.349 ( 4.903 -5.298 -17.236) 18.687 4.242 ( -0.246 -3.335 -28.981) 29.173 5.288 ( 1.778 -0.364 9.615) 9.785 5.306 ( -1.650 -2.275 8.280) 8.744 6.190 ( -0.675 6.733 -5.322) 8.609 6.886 ( -0.334 5.410 -2.589) 6.006 7.018 ( 0.896 1.276 0.176) 1.569 7.085 ( -1.665 1.556 1.766) 2.883 7.223 ( 1.891 -3.498 3.323) 5.182 7.804 ( 3.238 9.024 5.593) 11.099 7.906 ( -2.123 1.300 -2.867) 3.797 8.282 ( -2.017 -7.435 8.137) 11.205 8.848 ( -5.052 8.757 1.668) 10.246 8.981 ( 5.087 1.891 5.653) 7.837 9.185 ( 0.805 -14.417 -1.459) 14.513 9.704 ( 1.105 -3.125 13.610) 14.008 10.027 ( -1.739 -9.778 11.634) 15.296 10.743 ( 0.853 9.768 -3.625) 10.454 10.895 ( -0.391 -3.762 -2.799) 4.705 12.101 ( 0.021 -3.460 -0.704) 3.531 12.329 ( -0.018 2.463 9.011) 9.342 12.831 ( 3.344 6.493 -1.414) 7.439 12.914 ( -3.605 -0.151 -2.597) 4.445 13.829 ( 0.374 2.304 -6.833) 7.220 17.242 ( -3.384 15.793 -18.236) 24.361 17.791 ( 5.812 19.273 -10.691) 22.793 18.286 ( -1.977 -3.607 -7.955) 8.956 19.349 ( -0.558 -26.568 22.958) 35.117 22.616 ( -0.028 -3.569 -5.439) 6.505======================= Grid point 128 (90/156) =======================q-point: (-0.25 -0.11 0.54)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.538 ( 0.569 10.992 2.612) 11.312 2.362 ( 5.379 -14.341 2.392) 15.502 4.083 ( -4.496 -5.229 -17.026) 18.370 5.314 ( 1.482 -0.905 3.308) 3.736 5.540 ( -1.914 7.753 10.094) 12.871 5.835 ( 2.062 -4.031 -5.825) 7.377 6.628 ( -5.115 1.609 -2.228) 5.806 6.822 ( 2.002 -4.815 -3.743) 6.418 7.004 ( -0.262 0.781 -3.256) 3.358 7.400 ( 4.707 -2.164 -1.728) 5.461 7.644 ( -3.704 -8.430 -0.967) 9.259 7.767 ( -6.566 2.478 7.518) 10.284 8.333 ( -2.514 4.036 -5.042) 6.931 8.662 ( 6.597 -4.655 6.975) 10.669 8.748 ( -3.726 -3.562 -1.088) 5.268 9.445 ( -4.554 -1.963 4.219) 6.511 9.978 ( -2.201 12.234 -7.447) 14.491 10.345 ( 3.607 5.333 -8.334) 10.531 11.080 ( 2.966 9.768 11.868) 15.654 11.349 ( 11.983 5.130 6.982) 14.787 11.722 ( -9.244 -6.551 -3.454) 11.845 12.077 ( -3.551 -3.487 1.492) 5.196 12.667 ( -0.279 -0.248 -3.349) 3.370 13.107 ( -1.068 5.804 2.498) 6.408 13.447 ( -0.347 -11.060 -1.405) 11.154 15.955 ( -9.361 -10.501 -12.037) 18.515 17.249 ( 4.107 -12.548 -5.916) 14.468 18.861 ( 3.592 6.617 -18.479) 19.954 20.204 ( 0.762 9.166 22.843) 24.625 22.840 ( 0.733 2.883 -4.866) 5.704======================= Grid point 129 (91/156) =======================q-point: (-0.25 -0.11 -0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.826 ( 10.070 0.038 3.361) 10.616 2.138 ( -2.976 -7.804 12.683) 15.186 3.965 ( 2.871 -1.770 -16.530) 16.870 5.315 ( -0.692 -0.835 1.040) 1.503 5.597 ( -5.235 6.562 5.442) 10.004 5.901 ( 10.158 -5.265 1.687) 11.565 6.480 ( -2.535 -0.836 -3.227) 4.188 6.918 ( -4.766 3.225 -6.275) 8.514 7.017 ( -0.589 0.508 -4.705) 4.768 7.324 ( -1.991 -9.706 -2.760) 10.285 7.421 ( 4.102 1.338 1.226) 4.486 7.775 ( 2.865 3.947 8.431) 9.740 8.398 ( -1.938 6.307 1.917) 6.871 8.630 ( 1.525 -7.342 -3.752) 8.385 8.671 ( 0.813 -1.299 -3.387) 3.717 9.439 ( 1.995 1.431 10.491) 10.774 10.124 ( -3.374 5.997 -15.331) 16.804 10.429 ( -4.238 2.545 -10.796) 11.874 11.251 ( -9.315 7.859 11.495) 16.753 11.337 ( -12.438 3.904 1.198) 13.091 11.660 ( 7.019 -3.579 1.750) 8.071 12.041 ( 8.743 -4.086 6.660) 11.725 12.791 ( 2.105 6.169 -4.042) 7.669 12.898 ( -6.739 -4.611 -4.809) 9.476 13.412 ( 5.310 -4.594 5.137) 8.700 15.775 ( 8.418 -4.680 -10.146) 13.990 17.118 ( 2.197 -5.897 -5.766) 8.535 18.965 ( -1.223 0.788 -19.219) 19.274 20.325 ( -3.843 5.189 22.925) 23.817 22.883 ( -1.214 1.525 -5.201) 5.555======================= Grid point 131 (92/156) =======================q-point: (-0.25 -0.11 -0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.908 ( -12.112 6.876 5.288) 14.898 1.993 ( 15.962 -11.636 -2.455) 19.905 4.117 ( 6.931 3.356 -16.534) 18.239 5.256 ( -2.757 0.166 3.446) 4.417 5.593 ( -3.051 -0.934 8.554) 9.129 5.965 ( 7.875 -4.821 -0.210) 9.235 6.579 ( -0.530 9.424 -2.697) 9.817 6.773 ( 0.362 -1.965 -6.419) 6.723 6.954 ( -4.243 0.834 -4.231) 6.050 7.252 ( 0.185 1.715 -1.333) 2.180 7.609 ( 2.142 1.291 -0.625) 2.578 8.009 ( 7.132 5.481 7.418) 11.659 8.406 ( -1.130 -9.811 -1.935) 10.064 8.539 ( 4.616 3.360 6.319) 8.517 8.753 ( 2.625 4.866 -5.369) 7.706 9.516 ( 2.987 0.936 5.741) 6.539 10.009 ( -13.587 -1.263 -7.960) 15.798 10.338 ( -1.450 -1.690 -6.140) 6.531 10.941 ( -16.101 -1.410 6.947) 17.593 11.325 ( -4.805 -2.868 4.896) 7.435 11.693 ( 4.076 3.856 0.511) 5.634 12.247 ( 11.652 0.686 4.428) 12.484 12.575 ( -6.958 -2.543 -3.505) 8.195 13.162 ( -3.364 12.147 -0.127) 12.604 13.380 ( 9.415 -6.245 -1.339) 11.378 16.101 ( 18.589 6.928 -8.793) 21.699 17.092 ( 3.015 -1.584 -9.971) 10.537 18.852 ( -6.518 -3.221 -17.445) 18.899 20.251 ( -6.682 -1.973 22.899) 23.936 22.850 ( -2.482 -1.019 -4.322) 5.087======================= Grid point 141 (93/156) =======================q-point: ( 0.31 -0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.595 ( 1.137 22.234 -7.000) 23.337 2.165 ( -7.857 17.196 12.550) 22.692 3.167 ( 2.631 6.066 29.296) 30.033 5.462 ( 0.332 -3.452 -0.704) 3.539 5.857 ( 1.649 0.706 -10.986) 11.132 6.068 ( 5.061 -0.856 -0.579) 5.165 6.347 ( 2.051 -5.382 7.722) 9.633 6.563 ( -1.909 -3.035 9.916) 10.545 6.809 ( -3.787 -0.591 -3.550) 5.224 7.393 ( -3.135 4.434 1.822) 5.728 7.653 ( -7.140 -9.233 -4.083) 12.365 7.967 ( 1.808 7.063 3.636) 8.147 8.264 ( 9.698 -4.355 5.300) 11.879 8.877 ( 0.539 -7.697 -1.205) 7.809 9.118 ( -2.589 0.691 -5.485) 6.104 9.413 ( -3.367 -13.795 -0.472) 14.208 9.730 ( -5.975 -7.078 -3.211) 9.804 10.033 ( 9.305 -9.817 3.779) 14.044 10.950 ( -9.082 -0.429 3.845) 9.871 11.560 ( 0.449 10.666 -16.484) 19.639 11.749 ( 2.244 -9.901 4.934) 11.287 12.423 ( 0.773 3.938 -9.192) 10.030 12.624 ( 5.126 -4.514 -0.175) 6.833 13.001 ( 0.580 -0.725 -0.636) 1.125 13.526 ( -4.046 4.655 -0.255) 6.173 15.769 ( 7.646 -12.277 22.689) 26.907 16.857 ( -12.017 14.152 15.980) 24.496 18.289 ( 0.791 8.346 4.234) 9.392 20.816 ( 1.695 -5.384 -18.069) 18.930 22.537 ( 2.731 -0.078 4.844) 5.561======================= Grid point 142 (94/156) =======================q-point: ( 0.31 -0.12 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.948 ( -8.775 18.130 3.900) 20.516 2.525 ( 5.895 17.217 -3.265) 18.488 3.294 ( -0.240 1.561 22.524) 22.579 5.444 ( 0.199 2.110 -5.631) 6.017 5.843 ( -3.563 -2.701 -6.292) 7.719 6.161 ( 1.875 0.882 6.917) 7.220 6.302 ( 0.329 -0.972 6.847) 6.924 6.537 ( 5.390 -1.990 3.909) 6.949 6.776 ( -3.031 4.596 -10.377) 11.747 7.240 ( -4.726 -4.700 -0.089) 6.666 7.562 ( -1.146 1.957 3.038) 3.791 8.040 ( -0.133 -2.103 -0.927) 2.302 8.205 ( -0.808 -4.384 11.741) 12.559 8.784 ( -0.641 -2.547 -3.578) 4.438 8.867 ( -14.648 -3.530 -2.079) 15.210 9.338 ( 12.443 -1.910 1.581) 12.688 9.491 ( 1.395 -10.578 4.466) 11.567 9.994 ( 4.637 -9.249 5.411) 11.676 10.766 ( 3.613 -6.773 3.358) 8.378 11.610 ( 3.227 -9.375 4.133) 10.741 11.741 ( 2.493 3.898 -18.645) 19.210 12.308 ( -0.222 -7.263 2.450) 7.669 12.837 ( 1.112 3.001 -7.596) 8.243 12.894 ( -3.183 1.023 -2.846) 4.390 13.607 ( -2.007 7.608 0.305) 7.874 15.605 ( -6.645 -2.212 23.937) 24.941 17.042 ( -7.664 20.883 6.793) 23.259 18.455 ( -2.258 7.550 4.471) 9.061 20.736 ( 9.767 -13.349 -13.795) 21.539 22.550 ( 2.432 -4.002 5.384) 7.136======================= Grid point 143 (95/156) =======================q-point: ( 0.31 -0.12 0.41)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.117 ( -8.217 14.300 3.587) 16.878 2.865 ( -0.361 1.344 -10.843) 10.932 3.229 ( -6.192 3.356 24.434) 25.429 5.574 ( 2.502 7.023 -7.924) 10.880 5.631 ( -7.075 -3.889 -4.925) 9.457 6.076 ( -4.942 -3.035 4.412) 7.286 6.361 ( 1.829 0.891 8.081) 8.333 6.624 ( 4.807 -3.581 5.816) 8.352 6.830 ( -2.028 3.586 -10.747) 11.509 7.262 ( 7.799 5.765 4.398) 10.649 7.482 ( -5.286 1.467 1.539) 5.697 7.916 ( -1.770 -6.023 -2.197) 6.651 8.204 ( 2.694 -2.220 4.353) 5.580 8.608 ( -6.812 4.632 0.623) 8.261 8.777 ( 0.406 2.653 1.460) 3.055 9.338 ( 4.449 -8.029 8.813) 12.725 9.588 ( 15.584 -6.408 -0.750) 16.867 9.823 ( -1.019 -8.017 4.634) 9.316 10.910 ( 14.873 0.165 3.806) 15.353 11.452 ( 3.650 -12.631 5.161) 14.125 11.827 ( 1.279 -0.562 -20.049) 20.097 12.226 ( 7.391 -6.173 1.974) 9.830 12.658 ( -11.599 3.224 1.429) 12.123 13.039 ( 0.232 4.145 -5.764) 7.103 13.688 ( -2.883 3.999 -0.949) 5.020 15.459 ( -8.786 5.033 20.526) 22.887 17.315 ( -10.520 20.032 3.595) 22.910 18.484 ( -5.954 3.527 5.422) 8.792 20.680 ( 14.657 -15.899 -13.264) 25.368 22.495 ( 1.520 -4.125 7.275) 8.500======================= Grid point 145 (96/156) =======================q-point: ( 0.31 -0.12 -0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.069 ( -18.246 3.427 -8.327) 20.346 2.592 ( -12.297 -4.978 3.505) 13.721 3.226 ( -2.711 1.288 23.988) 24.175 5.455 ( -3.483 -0.768 -2.807) 4.539 5.800 ( 3.253 6.084 -8.717) 11.117 5.939 ( -3.128 0.835 1.415) 3.533 6.353 ( -0.596 -2.089 9.106) 9.361 6.583 ( 0.495 -3.228 9.210) 9.772 6.835 ( -0.349 0.111 -8.108) 8.116 7.480 ( -0.885 2.875 -0.336) 3.027 7.614 ( 10.225 -6.327 0.106) 12.025 7.871 ( 2.865 11.572 3.625) 12.460 8.113 ( -4.355 -2.201 -1.190) 5.023 8.686 ( 2.424 4.027 4.429) 6.459 8.998 ( 7.140 8.005 -2.438) 11.000 9.307 ( 4.356 -4.621 7.284) 9.664 9.655 ( 9.269 -8.525 -8.469) 15.176 9.793 ( 8.031 -2.260 8.050) 11.593 11.160 ( 9.052 -15.808 2.935) 18.451 11.373 ( 9.484 5.673 8.221) 13.773 11.762 ( -3.743 -2.313 -18.893) 19.399 12.356 ( 11.458 -2.242 1.325) 11.750 12.532 ( -11.771 8.380 -4.243) 15.060 13.053 ( -1.100 -1.506 -0.038) 1.866 13.656 ( -4.782 1.032 -3.070) 5.776 15.479 ( -2.157 8.730 19.716) 21.670 17.313 ( -15.292 3.313 8.620) 17.864 18.403 ( -7.291 3.294 4.402) 9.132 20.698 ( 12.972 -9.768 -15.440) 22.407 22.478 ( 2.136 -0.706 7.925) 8.239======================= Grid point 149 (97/156) =======================q-point: (-0.42 -0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 540Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.002 ( -2.173 29.931 -8.481) 31.185 2.853 ( 1.890 -1.009 -3.349) 3.976 4.639 ( 1.022 5.629 8.934) 10.608 5.113 ( -0.992 2.545 -4.202) 5.012 5.325 ( 0.565 -4.053 -5.131) 6.563 6.232 ( -0.808 7.118 -4.227) 8.318 6.605 ( 0.534 6.567 6.191) 9.041 6.827 ( -0.979 -2.428 6.575) 7.077 7.106 ( 1.339 1.219 5.940) 6.210 7.295 ( -1.374 -6.753 -1.330) 7.019 7.539 ( 0.495 -2.641 -1.832) 3.253 7.850 ( -1.430 2.300 4.226) 5.019 8.287 ( 0.482 -10.162 -1.020) 10.224 8.724 ( 4.537 3.188 3.770) 6.705 8.869 ( -4.190 -1.748 -5.383) 7.042 9.266 ( -0.079 -1.317 5.243) 5.406 9.724 ( 2.218 -6.681 6.829) 9.808 10.099 ( -0.223 -17.966 -11.630) 21.402 10.432 ( -0.646 14.010 3.647) 14.491 10.966 ( -1.194 -6.953 3.044) 7.684 11.889 ( -0.360 -1.042 8.082) 8.157 12.270 ( 0.808 -11.147 3.131) 11.606 12.676 ( 4.342 12.853 -2.328) 13.765 12.974 ( -5.314 1.658 -1.357) 5.730 13.890 ( 0.920 5.359 0.031) 5.437 16.820 ( 1.177 22.816 6.114) 23.650 18.103 ( -2.433 1.469 2.436) 3.743 18.584 ( 0.657 -0.477 -3.058) 3.164 19.397 ( 0.725 -15.789 -6.148) 16.959 22.749 ( 0.034 -3.627 2.189) 4.236======================= Grid point 150 (98/156) =======================q-point: (-0.42 -0.13 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 540Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.548 ( -2.948 18.074 -7.706) 19.868 2.647 ( -14.934 -0.092 -5.798) 16.020 4.693 ( -5.513 4.829 7.070) 10.183 5.214 ( 3.752 2.125 -2.934) 5.215 5.222 ( -1.408 -4.124 -5.515) 7.029 6.333 ( -4.387 5.100 -5.354) 8.597 6.713 ( -3.561 3.228 10.411) 11.467 6.778 ( -0.477 0.839 5.642) 5.724 7.090 ( 0.189 -0.607 2.241) 2.330 7.219 ( 6.602 -5.772 0.095) 8.770 7.529 ( -0.440 -0.964 4.276) 4.406 7.917 ( -0.864 3.031 -0.310) 3.167 8.082 ( 2.831 -3.232 2.571) 5.006 8.730 ( -4.451 2.213 -2.069) 5.384 8.855 ( 0.961 0.802 1.620) 2.047 9.394 ( 11.005 -11.689 8.980) 18.396 9.546 ( 3.353 -3.856 11.448) 12.537 9.861 ( 8.414 -8.305 -23.500) 26.306 10.675 ( -6.919 6.891 7.026) 12.030 10.880 ( -0.252 1.187 0.689) 1.396 11.837 ( 4.503 -4.275 13.089) 14.487 12.139 ( 5.631 -6.146 2.540) 8.714 12.845 ( -9.726 3.731 -2.535) 10.721 12.985 ( 2.252 4.469 -1.177) 5.141 13.944 ( -3.951 3.275 -0.239) 5.137 17.183 ( -17.777 16.391 14.509) 28.199 17.874 ( -10.944 12.805 -9.491) 19.334 18.881 ( 10.275 -9.227 9.154) 16.568 19.056 ( 12.227 -13.818 -16.300) 24.620 22.707 ( 2.821 -2.841 2.346) 4.640======================= Grid point 153 (99/156) =======================q-point: ( 0.58 -0.13 -0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 540Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.765 ( 12.612 10.254 -5.848) 17.274 2.105 ( -6.908 -21.400 6.479) 23.402 4.350 ( 3.285 -7.549 5.141) 9.706 5.228 ( -0.444 6.096 1.073) 6.206 5.431 ( -2.328 1.163 -6.088) 6.621 5.999 ( 0.548 -5.665 1.939) 6.012 6.594 ( 4.636 0.659 -0.986) 4.785 6.857 ( -0.360 0.933 2.232) 2.446 7.041 ( -2.872 2.170 3.296) 4.881 7.302 ( 1.511 -0.857 3.170) 3.614 7.604 ( 3.398 -1.156 -0.494) 3.623 7.865 ( 1.761 -10.909 -6.278) 12.709 8.363 ( -2.245 0.420 -5.687) 6.128 8.498 ( -3.078 2.439 2.972) 4.925 8.831 ( 3.139 -3.945 2.032) 5.436 9.417 ( 2.736 -6.031 -3.651) 7.562 10.139 ( -1.650 21.197 3.063) 21.481 10.440 ( -8.734 2.180 4.154) 9.915 10.825 ( 0.780 17.223 -4.186) 17.742 11.233 ( -9.372 -0.167 -3.049) 9.856 11.716 ( 8.410 -2.900 2.087) 9.138 12.160 ( 2.476 -11.554 -3.634) 12.362 12.648 ( -2.691 7.239 2.848) 8.231 13.119 ( 2.358 3.546 -3.030) 5.226 13.438 ( 2.693 -12.190 3.265) 12.904 16.195 ( 7.831 -15.361 0.600) 17.252 17.274 ( -0.127 -8.190 6.942) 10.737 19.234 ( -2.344 10.777 18.757) 21.759 19.788 ( -3.140 4.380 -21.106) 21.783 22.909 ( -1.266 2.959 1.337) 3.485======================= Grid point 154 (100/156) =======================q-point: ( 0.58 -0.13 -0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 540Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.563 ( -10.160 -6.617 5.087) 13.149 2.291 ( 20.420 1.244 -4.121) 20.868 4.336 ( 6.779 -3.852 6.607) 10.220 5.276 ( -4.003 0.663 -0.912) 4.159 5.382 ( -3.278 1.565 -3.777) 5.241 5.952 ( 3.511 -0.209 4.689) 5.862 6.631 ( 0.097 -5.499 -1.983) 5.846 6.837 ( -0.204 3.460 -0.723) 3.541 7.078 ( 0.024 1.084 2.901) 3.097 7.447 ( 4.192 1.791 2.223) 5.072 7.549 ( -3.034 -6.901 -7.894) 10.915 7.736 ( 8.947 1.388 2.570) 9.411 8.369 ( 0.542 -3.640 -1.601) 4.013 8.581 ( -2.281 5.657 0.814) 6.154 8.758 ( 2.462 -1.029 -0.273) 2.682 9.399 ( 6.106 -4.734 -0.550) 7.746 10.116 ( -19.619 0.187 5.029) 20.254 10.469 ( -4.121 9.778 2.747) 10.961 10.880 ( -15.224 -2.917 -6.754) 16.908 11.206 ( 0.090 14.321 -6.094) 15.564 11.764 ( 3.706 -9.305 0.502) 10.029 12.088 ( 8.984 -3.649 2.541) 10.024 12.733 ( -1.685 -1.317 2.653) 3.408 13.018 ( -7.112 4.586 -5.345) 10.009 13.492 ( 12.678 -5.043 2.353) 13.846 16.139 ( 12.393 -8.790 5.685) 16.223 17.331 ( 11.639 0.949 1.732) 11.805 19.258 ( -10.305 3.266 18.758) 21.650 19.750 ( -5.848 2.020 -19.880) 20.820 22.907 ( -3.048 1.202 1.560) 3.629======================= Grid point 156 (101/156) =======================q-point: (-0.14 -0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 143Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.846 ( -0.000 0.000 -24.258) 24.258 1.846 ( -0.000 0.000 -24.258) 24.258 3.407 ( -0.000 0.000 -43.701) 43.701 5.514 ( 0.000 -0.000 13.429) 13.429 5.514 ( 0.000 -0.000 13.429) 13.429 6.165 ( -0.000 0.000 -5.284) 5.284 6.881 ( -0.000 0.000 -2.723) 2.723 7.064 ( -0.000 0.000 -3.452) 3.452 7.064 ( -0.000 0.000 -3.452) 3.452 7.231 ( 0.000 -0.000 4.238) 4.238 8.035 ( 0.000 -0.000 4.171) 4.171 8.035 ( 0.000 -0.000 4.171) 4.171 8.329 ( 0.000 -0.000 6.179) 6.179 8.737 ( -0.000 0.000 -3.982) 3.982 9.176 ( 0.000 -0.000 6.547) 6.547 9.176 ( 0.000 -0.000 6.547) 6.547 10.049 ( 0.000 -0.000 23.313) 23.313 10.145 ( 0.000 -0.000 8.852) 8.852 10.731 ( -0.000 0.000 -7.245) 7.245 10.731 ( -0.000 0.000 -7.245) 7.245 12.046 ( -0.000 0.000 -0.526) 0.526 12.544 ( 0.000 -0.000 5.694) 5.694 12.844 ( -0.000 0.000 -3.399) 3.399 12.844 ( -0.000 0.000 -3.399) 3.399 13.689 ( -0.000 0.000 -8.268) 8.268 16.858 ( -0.000 0.000 -23.566) 23.566 18.071 ( -0.000 0.000 -8.127) 8.127 18.071 ( -0.000 0.000 -8.127) 8.127 19.477 ( 0.000 -0.000 29.673) 29.673 22.398 ( -0.000 0.000 -11.075) 11.075======================= Grid point 158 (102/156) =======================q-point: (-0.14 -0.14 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.603 ( -6.491 13.107 -6.663) 16.072 2.094 ( 16.562 -5.077 -4.609) 17.925 3.740 ( -2.010 -0.046 -25.311) 25.391 5.384 ( -1.283 -3.295 4.273) 5.546 5.757 ( 3.640 1.031 10.241) 10.917 5.863 ( -7.812 5.413 2.830) 9.916 6.578 ( -4.953 -0.600 -7.508) 9.014 6.745 ( -3.446 -9.950 -8.149) 13.314 6.961 ( 2.259 -3.344 -0.429) 4.058 7.253 ( 4.644 0.980 -0.463) 4.768 7.639 ( 0.064 -7.250 -0.295) 7.256 8.110 ( 2.644 8.255 -6.549) 10.863 8.219 ( -12.562 2.981 6.062) 14.264 8.699 ( -1.447 -10.471 -1.117) 10.629 8.921 ( -5.188 -6.235 6.762) 10.560 9.575 ( -2.122 0.602 -0.083) 2.207 9.892 ( 7.983 -1.050 -0.491) 8.066 10.213 ( -7.321 4.310 -0.485) 8.510 11.023 ( 15.752 2.716 6.493) 17.253 11.290 ( 8.852 11.051 8.163) 16.344 11.832 ( -6.795 -7.318 -1.384) 10.082 12.268 ( -8.045 1.254 -1.028) 8.207 12.599 ( 2.235 -4.342 2.503) 5.487 13.180 ( -0.597 10.224 1.063) 10.297 13.410 ( -1.283 -12.124 -4.158) 12.881 16.005 ( -23.602 -10.582 -19.468) 32.373 16.968 ( 6.822 -8.840 -9.220) 14.481 18.420 ( 4.792 5.612 -14.364) 16.148 20.614 ( 6.074 8.820 23.840) 26.135 22.689 ( 1.960 3.408 -6.239) 7.375======================= Grid point 159 (103/156) =======================q-point: (-0.14 -0.14 0.56)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.804 ( 2.387 4.799 0.473) 5.381 2.358 ( 7.872 2.594 13.657) 15.975 3.587 ( -4.727 -3.425 -21.372) 22.154 5.358 ( 1.748 -0.086 3.336) 3.767 5.636 ( -4.622 -2.603 -5.082) 7.346 6.018 ( -0.244 9.093 16.492) 18.834 6.458 ( -1.733 -9.420 -4.935) 10.775 6.646 ( 4.170 4.117 -11.753) 13.133 6.987 ( 1.940 0.517 -0.914) 2.206 7.310 ( 3.054 -6.673 0.720) 7.374 7.438 ( -6.197 -1.221 -2.949) 6.971 8.026 ( -6.496 0.130 8.312) 10.550 8.326 ( 1.434 7.059 -7.831) 10.640 8.524 ( -0.046 -3.758 -8.803) 9.572 8.632 ( -2.826 -7.947 4.059) 9.360 9.674 ( 2.986 5.664 6.423) 9.069 9.894 ( -4.194 -2.228 -5.402) 7.193 10.222 ( 1.669 0.790 -9.854) 10.026 11.325 ( 7.512 -2.426 -3.077) 8.472 11.562 ( 2.754 0.054 7.745) 8.220 11.694 ( -0.164 5.406 7.642) 9.363 12.141 ( -4.934 0.964 4.645) 6.845 12.644 ( 2.818 4.364 -0.284) 5.202 12.961 ( -6.917 -11.289 -4.703) 14.051 13.446 ( 3.103 2.667 4.644) 6.190 15.504 ( -8.346 -3.734 -15.813) 18.266 16.938 ( 2.256 -3.101 -7.009) 7.989 18.584 ( 1.983 2.238 -15.659) 15.942 20.819 ( 1.844 2.922 21.940) 22.210 22.750 ( 0.023 0.957 -7.976) 8.033======================= Grid point 163 (104/156) =======================q-point: ( 0.14 -0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.216 ( -26.736 26.645 0.000) 37.746 1.347 ( 0.431 28.758 0.000) 28.761 1.755 ( 15.693 33.550 0.000) 37.039 5.576 ( 1.824 -7.467 -0.000) 7.687 5.878 ( -0.225 -2.777 -0.000) 2.786 6.207 ( 0.275 -3.156 -0.000) 3.168 6.256 ( -0.202 -1.747 -0.000) 1.758 6.514 ( 2.193 -7.680 -0.000) 7.987 6.927 ( -0.046 4.619 0.000) 4.619 7.373 ( -0.250 -0.647 -0.000) 0.693 7.380 ( -3.321 17.124 0.000) 17.443 8.011 ( -7.260 -7.375 -0.000) 10.349 8.274 ( 7.055 -6.793 -0.000) 9.794 9.063 ( -2.102 -9.232 -0.000) 9.468 9.292 ( -1.158 -5.317 -0.000) 5.442 9.906 ( -2.409 -9.239 -0.000) 9.547 9.929 ( 2.344 -15.132 -0.000) 15.312 10.190 ( -1.966 -8.805 -0.000) 9.021 10.826 ( -1.846 3.757 0.000) 4.186 11.743 ( -0.108 14.240 0.000) 14.241 11.785 ( -2.796 -5.773 -0.000) 6.414 12.491 ( -7.319 -0.872 0.000) 7.371 12.758 ( 22.042 4.203 -0.000) 22.439 13.124 ( 1.792 -8.517 -0.000) 8.704 13.998 ( -9.222 -4.193 0.000) 10.130 14.747 ( 0.033 2.376 0.000) 2.376 16.214 ( -4.612 10.881 0.000) 11.818 17.992 ( -1.630 8.617 0.000) 8.770 21.293 ( -0.752 -1.496 -0.000) 1.674 22.614 ( 6.513 -6.480 -0.000) 9.188======================= Grid point 164 (105/156) =======================q-point: ( 0.14 -0.14 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.295 ( -13.144 23.710 0.000) 27.110 2.000 ( 7.046 21.277 0.000) 22.413 2.691 ( 16.591 17.580 0.000) 24.173 5.519 ( -2.394 4.004 0.000) 4.665 5.801 ( -1.046 -2.444 -0.000) 2.658 6.093 ( -3.140 -3.065 0.000) 4.388 6.247 ( 2.339 -2.267 -0.000) 3.258 6.541 ( 11.434 -5.124 -0.000) 12.530 7.013 ( -1.600 4.010 0.000) 4.318 7.385 ( 0.896 2.160 0.000) 2.338 7.471 ( -6.201 -3.220 0.000) 6.987 7.810 ( -4.131 5.436 0.000) 6.827 8.087 ( -7.862 -10.803 -0.000) 13.361 8.794 ( -9.876 -2.260 0.000) 10.131 9.173 ( 3.636 -4.372 -0.000) 5.687 9.453 ( -12.335 -13.186 -0.000) 18.056 9.665 ( -0.053 -8.437 -0.000) 8.437 10.122 ( 12.218 -11.657 -0.000) 16.887 10.841 ( 5.363 -6.590 -0.000) 8.496 11.657 ( 2.851 -5.669 -0.000) 6.346 12.022 ( -0.076 10.819 0.000) 10.819 12.329 ( -5.189 -1.897 0.000) 5.525 12.953 ( -3.710 -6.383 -0.000) 7.383 13.201 ( 13.295 -0.928 -0.000) 13.327 13.612 ( -16.715 2.516 0.000) 16.904 14.810 ( -0.657 3.687 0.000) 3.745 16.500 ( 2.832 13.157 0.000) 13.458 18.143 ( -3.335 10.364 0.000) 10.887 21.253 ( 5.834 -6.621 -0.000) 8.825 22.583 ( 2.001 -6.380 -0.000) 6.687======================= Grid point 165 (106/156) =======================q-point: ( 0.14 -0.14 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.620 ( -0.739 17.449 0.000) 17.465 2.442 ( 1.720 9.141 0.000) 9.301 3.171 ( 8.033 2.324 -0.000) 8.362 5.611 ( -6.250 9.683 0.000) 11.525 5.759 ( -0.283 0.260 0.000) 0.384 5.978 ( -1.891 -1.977 -0.000) 2.736 6.247 ( 2.368 -2.388 -0.000) 3.363 6.620 ( 7.692 -9.998 -0.000) 12.614 7.029 ( -3.452 3.396 0.000) 4.843 7.210 ( -3.615 -5.132 -0.000) 6.278 7.493 ( 1.044 4.112 0.000) 4.242 7.769 ( -0.133 -3.731 -0.000) 3.733 7.942 ( -2.130 11.252 0.000) 11.452 8.507 ( -14.943 0.610 0.000) 14.956 8.993 ( -6.753 -7.851 -0.000) 10.356 9.205 ( 4.780 -4.383 -0.000) 6.485 9.600 ( 7.834 -5.950 -0.000) 9.837 10.147 ( 13.323 -12.051 -0.000) 17.965 10.832 ( 7.721 -4.526 -0.000) 8.950 11.612 ( 6.732 -10.176 -0.000) 12.202 12.181 ( -2.407 6.333 0.000) 6.775 12.245 ( -0.693 1.377 0.000) 1.541 12.635 ( -8.309 -8.704 -0.000) 12.033 13.234 ( -1.432 -2.626 -0.000) 2.991 13.614 ( -1.870 9.889 0.000) 10.065 14.860 ( -2.356 3.635 0.000) 4.332 16.810 ( -3.534 15.911 0.000) 16.299 18.246 ( -5.391 6.826 0.000) 8.698 21.272 ( 13.620 -11.197 -0.000) 17.632 22.433 ( -3.192 -5.382 -0.000) 6.257======================= Grid point 166 (107/156) =======================q-point: ( 0.14 -0.14 -0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.892 ( -6.601 13.292 0.000) 14.841 2.423 ( -9.718 -2.539 0.000) 10.044 3.114 ( -3.787 -12.390 -0.000) 12.956 5.525 ( -12.636 3.159 0.000) 13.024 5.786 ( 0.246 1.332 0.000) 1.355 5.963 ( 1.783 1.335 -0.000) 2.227 6.248 ( 2.404 -2.353 -0.000) 3.364 6.494 ( 4.383 -11.055 -0.000) 11.892 7.033 ( -3.239 3.534 0.000) 4.793 7.321 ( 9.299 10.160 0.000) 13.773 7.515 ( -3.808 0.054 0.000) 3.808 7.853 ( 8.305 -1.596 -0.000) 8.457 8.142 ( -6.216 -0.186 0.000) 6.219 8.284 ( -6.399 16.224 0.000) 17.441 8.944 ( 6.905 4.136 -0.000) 8.049 9.185 ( 3.829 -4.873 -0.000) 6.197 9.670 ( 8.494 -4.437 -0.000) 9.583 10.165 ( 12.397 -12.027 -0.000) 17.272 11.035 ( 8.784 4.779 -0.000) 10.000 11.467 ( 8.979 -17.375 -0.000) 19.558 12.185 ( -6.165 2.578 0.000) 6.682 12.328 ( -12.473 10.460 0.000) 16.279 12.404 ( 12.038 -6.548 -0.000) 13.703 13.122 ( -4.853 -1.980 0.000) 5.241 13.784 ( 0.486 7.184 0.000) 7.200 14.858 ( -3.691 2.290 0.000) 4.344 16.975 ( -11.102 11.487 0.000) 15.975 18.202 ( -7.652 3.489 0.000) 8.410 21.322 ( 14.370 -13.273 -0.000) 19.561 22.287 ( -1.168 -1.864 -0.000) 2.200======================= Grid point 167 (108/156) =======================q-point: ( 0.14 -0.14 -0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.859 ( -21.274 11.065 0.000) 23.979 1.977 ( -20.928 -6.545 0.000) 21.928 2.483 ( -17.814 -23.200 -0.000) 29.250 5.418 ( -2.831 4.976 0.000) 5.725 5.822 ( 1.806 0.419 -0.000) 1.854 6.082 ( 3.361 3.394 0.000) 4.776 6.249 ( 2.299 -2.274 -0.000) 3.234 6.411 ( 6.537 -6.549 -0.000) 9.253 7.017 ( -4.040 1.460 0.000) 4.296 7.405 ( -2.808 -1.314 0.000) 3.100 7.747 ( -1.412 -1.052 0.000) 1.760 7.920 ( -3.834 12.514 0.000) 13.088 7.971 ( 8.765 -4.747 -0.000) 9.968 8.701 ( 9.177 12.350 0.000) 15.386 9.205 ( 3.990 -0.614 -0.000) 4.037 9.384 ( 14.631 12.180 -0.000) 19.038 9.777 ( 7.764 -2.118 -0.000) 8.048 10.163 ( 10.937 -11.382 -0.000) 15.785 11.043 ( -0.715 -11.408 -0.000) 11.430 11.569 ( 15.656 -0.041 -0.000) 15.656 12.028 ( -10.870 -0.068 0.000) 10.870 12.357 ( -3.489 12.050 0.000) 12.545 12.620 ( 6.342 0.629 -0.000) 6.373 12.980 ( -2.216 -0.413 0.000) 2.254 13.944 ( 2.625 4.228 0.000) 4.977 14.808 ( -3.658 0.704 0.000) 3.725 16.725 ( -15.911 -7.134 0.000) 17.438 18.130 ( -8.267 5.108 0.000) 9.717 21.305 ( 6.691 -8.432 -0.000) 10.764 22.354 ( 6.118 2.883 -0.000) 6.763======================= Grid point 170 (109/156) =======================q-point: ( 0.42 -0.15 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.853 ( 2.321 23.095 -12.222) 26.233 2.662 ( -5.028 9.049 7.909) 13.028 3.788 ( 1.831 3.094 24.331) 24.595 5.340 ( -1.703 -1.205 -5.657) 6.029 5.672 ( 2.438 0.315 -8.708) 9.048 6.139 ( 8.028 5.901 1.908) 10.145 6.418 ( -3.295 0.194 3.305) 4.671 6.714 ( -1.262 -3.640 0.263) 3.862 6.725 ( -3.981 -2.523 9.553) 10.652 7.369 ( -6.818 -5.037 -1.351) 8.584 7.579 ( 2.241 3.013 2.333) 4.421 8.003 ( -2.187 -3.073 -4.219) 5.659 8.312 ( 12.152 -5.110 7.846) 15.341 8.700 ( -2.830 -2.449 -4.023) 5.495 9.081 ( 3.939 1.294 -3.002) 5.119 9.204 ( -10.218 -8.847 3.144) 13.877 9.568 ( 3.522 -6.790 4.184) 8.719 9.979 ( 4.712 -3.204 6.212) 8.429 10.936 ( -10.565 -5.282 0.717) 11.833 11.275 ( 0.255 -3.890 -19.402) 19.790 11.660 ( 3.051 -7.225 6.505) 10.189 12.363 ( 0.704 -7.512 1.752) 7.745 12.562 ( 4.494 8.955 -5.050) 11.220 12.988 ( -4.187 0.823 -0.750) 4.332 13.675 ( -0.087 5.943 2.778) 6.561 16.054 ( 5.842 1.680 17.496) 18.522 17.491 ( -9.838 13.674 14.666) 22.335 18.522 ( 2.049 5.997 2.628) 6.861 20.263 ( 2.126 -11.074 -17.731) 21.013 22.630 ( 0.937 -2.774 6.362) 7.004======================= Grid point 171 (110/156) =======================q-point: ( 0.42 -0.15 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.341 ( -3.580 19.122 -2.937) 19.675 2.713 ( -6.026 7.558 -2.661) 10.025 3.862 ( -4.475 5.041 23.954) 24.884 5.364 ( 1.396 4.207 -7.389) 8.617 5.622 ( -3.612 -4.232 -7.492) 9.332 6.318 ( -4.768 -0.706 6.309) 7.939 6.448 ( 3.620 6.490 0.400) 7.442 6.585 ( 2.341 -2.337 4.786) 5.818 6.708 ( 0.851 -0.126 1.486) 1.717 7.268 ( 0.898 2.274 3.712) 4.445 7.603 ( -2.187 -0.964 -0.720) 2.496 7.871 ( -1.330 -3.669 -3.683) 5.366 8.262 ( -0.307 -9.970 2.815) 10.364 8.639 ( -1.070 3.002 -0.330) 3.204 8.924 ( -4.868 -1.363 2.986) 5.871 9.228 ( 14.203 -6.807 1.220) 15.797 9.423 ( 4.089 -12.050 7.577) 14.810 10.096 ( -2.536 4.042 10.828) 11.833 10.739 ( 4.398 -1.755 3.037) 5.626 11.215 ( 2.305 -4.145 -27.739) 28.141 11.547 ( 5.255 -10.701 8.514) 14.650 12.172 ( 3.397 -9.373 3.450) 10.550 12.876 ( -8.100 1.602 -0.617) 8.280 12.894 ( 2.963 9.530 -4.369) 10.894 13.775 ( -2.783 5.203 2.472) 6.398 16.120 ( -7.018 5.432 23.353) 24.982 17.619 ( -12.321 21.078 3.288) 24.635 18.666 ( -0.221 3.552 4.089) 5.421 20.091 ( 11.386 -17.560 -15.527) 26.059 22.587 ( 2.669 -4.471 6.546) 8.365======================= Grid point 172 (111/156) =======================q-point: ( 0.42 -0.15 -0.56)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.322 ( -20.405 3.674 -5.146) 21.362 2.771 ( -3.559 5.628 -1.738) 6.882 3.831 ( -6.762 4.476 23.762) 25.108 5.428 ( -3.749 -3.955 -6.165) 8.228 5.549 ( 3.006 6.366 -8.552) 11.077 6.160 ( -8.461 2.496 5.598) 10.448 6.536 ( 1.583 -3.877 8.553) 9.523 6.652 ( 0.008 2.182 -8.406) 8.684 6.731 ( 4.339 -2.877 9.228) 10.595 7.377 ( 4.508 -3.225 0.323) 5.552 7.572 ( -0.089 2.323 -0.232) 2.336 7.911 ( 1.584 11.138 3.125) 11.676 8.061 ( 1.309 -7.478 -3.029) 8.174 8.745 ( -1.144 0.671 0.876) 1.589 8.871 ( 4.960 3.029 1.706) 6.056 9.280 ( 8.101 -12.490 4.432) 15.533 9.401 ( 10.524 -3.349 3.058) 11.459 9.991 ( -8.320 1.699 11.580) 14.359 10.938 ( 11.416 -3.711 1.463) 12.093 11.213 ( 3.862 -2.007 -26.644) 26.997 11.480 ( 7.640 -5.777 10.095) 13.916 12.170 ( 9.243 -3.397 2.803) 10.239 12.721 ( -11.900 4.076 -3.057) 12.945 13.050 ( 0.511 1.141 -0.590) 1.382 13.767 ( -5.553 2.803 1.786) 6.471 16.049 ( -10.347 7.330 22.221) 25.585 17.757 ( -13.439 13.268 3.460) 19.199 18.630 ( -4.703 -0.768 4.575) 6.606 20.059 ( 15.861 -11.588 -15.832) 25.229 22.574 ( 3.594 -2.588 7.094) 8.363======================= Grid point 177 (112/156) =======================q-point: (-0.30 -0.16 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 540Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.373 ( -3.409 20.643 -11.833) 24.037 2.646 ( 3.424 -3.141 -11.443) 12.351 4.689 ( -0.182 0.546 -13.145) 13.157 5.151 ( 1.375 1.632 3.136) 3.793 5.201 ( -1.259 -2.864 1.676) 3.549 6.291 ( -0.414 6.305 -4.496) 7.755 6.883 ( -0.446 6.767 3.839) 7.792 6.962 ( 2.003 0.980 5.943) 6.348 7.071 ( -4.459 -1.876 -1.631) 5.104 7.152 ( 3.134 -6.576 2.602) 7.735 7.684 ( 3.485 9.112 6.702) 11.836 7.957 ( -7.621 -1.383 -0.915) 7.799 8.097 ( 4.513 -8.391 6.872) 11.748 8.828 ( -5.376 6.462 0.860) 8.450 8.889 ( 3.405 3.229 3.384) 5.785 9.298 ( 3.663 -6.778 -6.046) 9.793 9.478 ( -1.679 -14.049 3.935) 14.686 9.781 ( -0.286 -9.005 12.318) 15.262 10.789 ( -0.329 11.842 -0.475) 11.856 10.928 ( 0.254 -0.941 -0.283) 1.015 12.071 ( -0.016 -0.219 9.234) 9.237 12.120 ( 0.053 -8.133 5.322) 9.720 12.870 ( 3.001 8.661 -2.233) 9.434 12.964 ( -3.217 0.572 -2.133) 3.902 13.942 ( 0.264 2.802 -3.850) 4.769 17.497 ( -1.973 32.122 -3.987) 32.428 17.993 ( 4.128 1.365 -9.119) 10.102 18.442 ( -2.237 -2.263 -6.996) 7.685 18.992 ( 0.037 -26.377 9.923) 28.182 22.686 ( -0.006 -2.945 -1.324) 3.229======================= Grid point 181 (113/156) =======================q-point: (-0.30 -0.16 -0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 540Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.805 ( 12.587 1.690 -2.353) 12.916 1.904 ( -4.883 -9.348 9.833) 14.419 4.214 ( 2.960 -2.501 -6.762) 7.794 5.339 ( -1.487 0.116 -3.437) 3.746 5.440 ( -2.375 4.105 7.415) 8.802 5.917 ( 4.651 -4.001 -0.708) 6.176 6.540 ( -0.070 -0.459 -2.347) 2.392 6.949 ( -4.201 3.049 0.347) 5.202 7.124 ( -3.274 3.585 -2.621) 5.518 7.364 ( 3.103 -0.990 0.984) 3.402 7.433 ( 1.869 -9.961 -4.522) 11.098 7.633 ( 5.052 0.900 4.689) 6.951 8.347 ( -1.238 2.237 1.563) 2.996 8.682 ( -0.456 4.610 1.373) 4.832 8.710 ( 0.199 -5.911 -2.739) 6.518 9.304 ( 3.070 -1.518 2.758) 4.397 10.408 ( -4.402 7.757 -11.441) 14.506 10.565 ( -5.597 2.105 0.205) 5.983 11.116 ( -6.868 11.177 -0.730) 13.139 11.244 ( -11.023 3.245 6.455) 13.180 11.655 ( 7.087 -6.106 -0.216) 9.357 11.934 ( 8.057 -5.872 3.188) 10.467 12.838 ( -2.070 5.456 -0.108) 5.837 13.020 ( -5.375 -0.718 -6.763) 8.668 13.304 ( 8.965 -7.118 5.225) 12.583 15.915 ( 7.733 -6.301 -3.389) 10.535 17.204 ( 2.144 -3.455 -2.041) 4.550 19.393 ( -2.406 1.371 -21.906) 22.080 19.848 ( -2.985 4.312 23.049) 23.638 22.955 ( -1.351 1.421 -1.798) 2.660======================= Grid point 193 (114/156) =======================q-point: ( 0.26 -0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 540Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.722 ( -12.813 25.267 -4.320) 28.657 1.956 ( -1.672 22.506 6.453) 23.473 2.605 ( 6.582 13.547 22.886) 27.398 5.481 ( 1.974 0.053 -1.728) 2.624 5.941 ( 1.151 -4.870 7.066) 8.658 6.110 ( 2.326 -1.316 -7.220) 7.698 6.191 ( -0.928 -1.788 5.291) 5.661 6.420 ( 2.116 -4.935 4.264) 6.856 6.941 ( -1.525 4.166 -7.421) 8.646 7.372 ( -2.252 3.038 0.010) 3.782 7.681 ( -7.945 -4.569 2.084) 9.399 7.899 ( -0.566 4.097 1.875) 4.541 8.176 ( 6.250 -4.790 3.129) 8.473 8.861 ( 2.922 -9.897 1.714) 10.460 9.187 ( -4.087 -2.327 -1.207) 4.855 9.487 ( 2.350 -13.869 -6.458) 15.478 9.774 ( -8.457 -9.384 0.702) 12.653 9.967 ( 5.350 -11.924 1.686) 13.177 10.864 ( -6.767 -2.857 3.637) 8.196 11.650 ( 2.530 -10.703 3.866) 11.658 11.876 ( -0.109 12.024 -12.706) 17.494 12.468 ( -4.545 -6.585 3.003) 8.546 12.765 ( 16.185 5.196 -9.127) 19.294 12.997 ( 0.472 -2.554 0.672) 2.682 13.656 ( -7.443 4.527 -13.250) 15.857 15.222 ( 2.532 -6.941 28.435) 29.379 16.615 ( -8.576 18.347 7.517) 21.602 18.219 ( 0.098 9.555 2.403) 9.853 21.105 ( -0.026 -7.997 -9.298) 12.264 22.474 ( 5.445 -3.564 1.156) 6.609======================= Grid point 194 (115/156) =======================q-point: ( 0.26 -0.17 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 540Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.845 ( -14.336 20.980 4.577) 25.819 2.504 ( 5.550 17.245 7.034) 19.434 2.974 ( 8.131 3.291 6.111) 10.691 5.569 ( 0.086 6.129 -6.671) 9.059 5.876 ( -3.547 -0.181 4.260) 5.546 6.070 ( -2.359 -1.924 2.244) 3.782 6.182 ( 3.665 -1.298 2.196) 4.466 6.478 ( 7.367 -2.237 1.937) 7.939 7.004 ( -2.372 5.016 -9.471) 10.977 7.263 ( -5.169 -6.548 -2.342) 8.665 7.500 ( -1.985 2.738 2.653) 4.299 7.983 ( -4.937 -5.472 8.769) 11.455 8.016 ( -0.596 3.030 2.843) 4.198 8.764 ( -4.315 -2.179 1.908) 5.197 8.998 ( -5.578 -6.931 -7.186) 11.437 9.264 ( -0.075 -5.104 4.863) 7.050 9.472 ( 3.464 -8.648 -1.593) 9.452 9.891 ( 9.615 -12.522 4.340) 16.374 10.703 ( 4.927 -7.417 2.407) 9.224 11.513 ( 5.964 -11.744 3.991) 13.763 12.072 ( 0.075 6.230 -11.977) 13.500 12.267 ( -0.199 -6.524 1.629) 6.727 12.853 ( -8.247 -2.969 0.708) 8.794 13.084 ( 6.262 1.801 -8.545) 10.746 13.642 ( -3.854 6.913 -3.758) 8.761 15.134 ( -4.092 1.091 19.596) 20.049 16.938 ( -5.889 23.398 3.343) 24.358 18.386 ( -4.272 9.296 2.216) 10.468 20.953 ( 9.176 -14.689 -7.010) 18.684 22.463 ( 2.656 -5.862 2.815) 7.025======================= Grid point 195 (116/156) =======================q-point: ( 0.26 -0.17 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 540Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.045 ( -7.151 17.496 2.833) 19.112 2.772 ( -4.314 4.232 17.613) 18.621 3.052 ( 1.213 -5.053 -6.401) 8.245 5.724 ( -3.963 7.253 -6.209) 10.338 5.738 ( -4.629 -0.491 -4.668) 6.593 5.981 ( -1.042 -2.015 3.815) 4.439 6.240 ( 0.964 -0.522 4.061) 4.207 6.504 ( 2.076 -5.350 5.173) 7.726 7.035 ( -3.587 3.460 -7.623) 9.107 7.192 ( 6.467 2.864 2.321) 7.444 7.492 ( -3.112 3.609 -3.500) 5.913 7.863 ( -0.509 -2.799 7.234) 7.774 8.130 ( 4.431 2.293 1.872) 5.329 8.577 ( -11.900 3.967 2.024) 12.706 8.811 ( 1.875 -1.544 -3.943) 4.631 9.177 ( 3.307 -5.766 6.517) 9.309 9.534 ( 8.949 -3.391 3.684) 10.255 9.827 ( 11.316 -13.529 -2.472) 17.810 10.830 ( 13.568 0.599 3.389) 13.998 11.346 ( 6.231 -16.913 4.107) 18.487 12.165 ( -0.671 2.950 -10.531) 10.957 12.193 ( 6.579 -6.522 0.074) 9.264 12.626 ( -12.432 5.334 1.354) 13.595 13.150 ( -0.774 -0.365 -4.101) 4.189 13.730 ( -0.620 4.342 -2.757) 5.180 15.092 ( -5.235 4.079 13.716) 15.237 17.254 ( -11.997 20.979 2.156) 24.263 18.406 ( -8.212 5.474 2.346) 10.145 20.892 ( 16.634 -16.533 -7.059) 24.492 22.367 ( 0.138 -4.626 4.659) 6.567======================= Grid point 197 (117/156) =======================q-point: ( 0.26 -0.17 -0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 540Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.173 ( -13.691 11.227 -2.303) 17.855 2.502 ( -16.447 -6.455 7.432) 19.168 2.836 ( -5.042 -9.346 10.211) 14.732 5.529 ( -8.646 1.453 -4.413) 9.816 5.845 ( -0.222 3.443 2.800) 4.443 5.999 ( 3.140 1.809 -4.056) 5.439 6.205 ( 0.299 -2.161 3.940) 4.504 6.407 ( 0.493 -4.225 6.692) 7.929 7.015 ( -3.423 1.745 -7.837) 8.728 7.489 ( -4.397 0.685 -0.621) 4.494 7.570 ( 14.443 2.487 3.499) 15.068 7.828 ( 3.657 1.887 0.821) 4.196 8.129 ( -6.405 -0.097 -0.284) 6.412 8.593 ( 2.970 6.028 3.806) 7.723 9.056 ( 11.156 8.922 -2.876) 14.571 9.179 ( 3.258 -1.415 4.685) 5.879 9.652 ( 8.455 -1.651 5.245) 10.085 9.817 ( 13.364 -12.387 -6.260) 19.268 11.070 ( 4.679 -18.191 5.087) 19.460 11.241 ( 16.212 5.730 3.838) 17.618 12.088 ( -6.640 -0.448 -11.725) 13.482 12.315 ( 10.653 -2.688 2.137) 11.193 12.607 ( -8.404 13.118 -2.188) 15.732 13.062 ( -3.417 -2.618 -0.649) 4.353 13.772 ( -0.862 0.416 -7.405) 7.467 15.094 ( -2.504 4.672 16.153) 17.000 17.172 ( -19.473 1.341 4.718) 20.081 18.338 ( -8.779 5.909 2.010) 10.771 20.954 ( 15.721 -10.322 -8.907) 20.809 22.334 ( 1.978 0.546 5.427) 5.802======================= Grid point 201 (118/156) =======================q-point: ( 0.54 -0.18 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.180 ( -0.011 27.854 -8.808) 29.213 2.874 ( -0.589 2.259 1.095) 2.579 4.346 ( 1.330 6.800 18.565) 19.816 5.226 ( -1.960 2.507 -6.338) 7.092 5.468 ( 1.945 -3.478 -8.147) 9.069 6.313 ( 2.225 8.633 -2.354) 9.220 6.494 ( -1.760 3.342 3.402) 5.083 6.684 ( -0.379 -4.250 6.375) 7.671 6.905 ( -1.444 -0.887 11.740) 11.862 7.320 ( -1.616 -3.645 -0.042) 3.987 7.577 ( 0.820 -3.349 -1.657) 3.826 7.839 ( -2.678 -0.017 -2.860) 3.919 8.274 ( 5.419 -9.594 2.944) 11.405 8.680 ( -0.947 3.632 0.321) 3.767 8.958 ( 2.191 -5.083 -3.121) 6.354 9.154 ( -3.800 -4.277 5.648) 8.039 9.541 ( 1.930 -11.084 9.219) 14.546 10.240 ( 3.247 12.000 6.014) 13.810 10.586 ( -2.684 -6.929 -24.401) 25.508 10.897 ( -3.103 -6.901 3.528) 8.349 11.689 ( 0.660 -8.178 10.965) 13.695 12.202 ( 0.602 -10.510 3.368) 11.053 12.737 ( 4.039 12.750 -3.379) 13.795 12.998 ( -4.813 1.507 -0.943) 5.130 13.861 ( 0.663 5.492 2.519) 6.078 16.587 ( 2.760 15.265 16.349) 22.537 17.982 ( -5.884 9.717 7.299) 13.503 18.628 ( 2.105 2.326 -1.275) 3.386 19.630 ( 1.283 -16.655 -14.411) 22.061 22.673 ( 0.160 -3.990 4.973) 6.378======================= Grid point 202 (119/156) =======================q-point: (-0.46 -0.18 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.656 ( -9.069 11.619 -2.773) 14.998 2.752 ( -8.060 5.852 -4.666) 10.999 4.425 ( -6.167 5.196 18.158) 19.868 5.320 ( 2.704 4.558 -7.121) 8.877 5.362 ( -2.780 -4.317 -7.789) 9.329 6.436 ( -6.190 2.824 -0.929) 6.867 6.530 ( -0.483 4.484 3.213) 5.537 6.649 ( 1.072 -1.965 6.363) 6.746 6.895 ( 2.615 -1.452 14.207) 14.519 7.255 ( 5.001 -3.735 -2.669) 6.788 7.529 ( 0.951 -1.856 -3.094) 3.732 7.919 ( 0.465 5.938 1.149) 6.066 8.048 ( -1.635 -5.763 0.172) 5.993 8.750 ( 0.387 2.322 0.676) 2.449 8.847 ( -0.765 -3.192 -0.809) 3.380 9.227 ( 12.202 -7.802 7.131) 16.143 9.315 ( 5.094 -8.332 10.477) 14.322 10.432 ( -1.332 -3.539 -25.810) 26.086 10.499 ( -4.808 7.640 4.971) 10.305 10.845 ( 2.846 0.954 2.335) 3.803 11.557 ( 7.914 -8.694 13.718) 18.067 12.077 ( 5.665 -5.947 3.355) 8.872 12.894 ( -8.898 3.168 -2.136) 9.683 13.008 ( 1.781 4.457 -1.062) 4.916 13.919 ( -3.518 3.036 2.432) 5.245 16.782 ( -11.500 9.484 23.612) 27.924 18.018 ( -13.085 17.236 -4.701) 22.145 18.757 ( 2.286 -3.552 3.441) 5.448 19.391 ( 14.643 -15.648 -15.781) 26.614 22.627 ( 2.919 -3.014 5.190) 6.674======================= Grid point 208 (120/156) =======================q-point: (-0.18 -0.18 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 156Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.290 ( -0.000 0.000 -18.536) 18.536 2.290 ( -0.000 0.000 -18.536) 18.536 4.192 ( -0.000 0.000 -31.725) 31.725 5.282 ( 0.000 -0.000 8.655) 8.655 5.282 ( 0.000 -0.000 8.655) 8.655 6.272 ( -0.000 0.000 -4.934) 4.934 6.948 ( -0.000 0.000 -3.761) 3.761 7.087 ( 0.000 -0.000 1.598) 1.598 7.087 ( 0.000 -0.000 1.598) 1.598 7.127 ( 0.000 -0.000 5.228) 5.228 7.961 ( 0.000 -0.000 2.541) 2.541 7.961 ( 0.000 -0.000 2.541) 2.541 8.148 ( 0.000 -0.000 11.551) 11.551 8.876 ( -0.000 0.000 -9.963) 9.963 9.048 ( 0.000 -0.000 5.768) 5.768 9.048 ( 0.000 -0.000 5.768) 5.768 9.613 ( 0.000 -0.000 18.429) 18.429 9.938 ( 0.000 -0.000 11.127) 11.127 10.860 ( -0.000 0.000 -4.948) 4.948 10.860 ( -0.000 0.000 -4.948) 4.948 12.045 ( 0.000 -0.000 0.533) 0.533 12.358 ( 0.000 -0.000 12.044) 12.044 12.912 ( -0.000 0.000 -3.118) 3.118 12.912 ( -0.000 0.000 -3.118) 3.118 13.853 ( -0.000 0.000 -7.202) 7.202 17.367 ( -0.000 0.000 -25.133) 25.133 18.245 ( -0.000 0.000 -8.559) 8.559 18.245 ( -0.000 0.000 -8.559) 8.559 18.870 ( 0.000 -0.000 29.068) 29.068 22.575 ( -0.000 0.000 -6.092) 6.092======================= Grid point 211 (121/156) =======================q-point: (-0.18 -0.18 0.61)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 540Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.750 ( -4.032 7.405 3.017) 8.955 2.117 ( 5.443 -6.372 10.042) 13.080 3.984 ( -4.343 -3.286 -16.220) 17.110 5.305 ( 1.438 0.068 1.129) 1.830 5.685 ( 4.546 1.672 12.175) 13.103 5.782 ( -6.595 2.151 -5.322) 8.743 6.544 ( -3.128 -6.249 -2.782) 7.522 6.866 ( 7.112 6.420 -7.506) 12.172 7.015 ( 0.974 0.325 -2.956) 3.129 7.307 ( 4.367 -5.768 -0.647) 7.264 7.481 ( -8.782 -4.593 -1.292) 9.994 7.820 ( -6.857 0.297 10.398) 12.459 8.447 ( -1.874 5.856 -0.882) 6.211 8.541 ( 5.739 -4.861 -0.069) 7.521 8.689 ( -2.464 -2.065 -4.620) 5.629 9.446 ( -2.534 0.685 10.009) 10.347 10.150 ( 0.876 3.508 -14.218) 14.671 10.430 ( 4.406 2.283 -9.388) 10.619 11.255 ( 9.716 4.925 7.760) 13.375 11.464 ( 8.517 1.382 7.077) 11.159 11.578 ( -7.398 -2.523 -0.378) 7.826 12.016 ( -7.497 -1.718 5.955) 9.727 12.708 ( 5.232 4.507 -4.571) 8.281 13.076 ( -9.089 -10.800 -5.890) 15.295 13.325 ( 2.897 2.567 6.897) 7.909 15.777 ( -8.872 -4.907 -10.166) 14.357 17.084 ( 1.044 -2.835 -6.687) 7.338 18.950 ( 2.647 2.216 -19.534) 19.837 20.347 ( 1.884 3.242 23.457) 23.755 22.887 ( 0.833 1.147 -5.078) 5.273======================= Grid point 222 (122/156) =======================q-point: ( 0.38 -0.19 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 540Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.089 ( -2.451 22.492 -9.834) 24.670 2.494 ( -3.170 13.171 7.631) 15.549 3.262 ( 2.232 4.031 25.599) 26.011 5.444 ( -0.248 1.513 -4.785) 5.025 5.863 ( 0.965 -0.695 -9.157) 9.234 6.055 ( 7.415 1.246 5.503) 9.318 6.309 ( -1.617 0.135 6.644) 6.840 6.523 ( -2.234 -1.190 9.285) 9.624 6.823 ( -1.332 1.868 -9.324) 9.602 7.406 ( -9.994 -6.717 -1.611) 12.148 7.539 ( 2.408 2.637 1.221) 3.774 8.037 ( 0.702 -1.002 1.956) 2.307 8.171 ( 6.003 -4.240 4.526) 8.631 8.734 ( 2.921 -4.972 0.994) 5.851 9.141 ( 3.416 -8.642 -1.954) 9.496 9.156 ( -8.214 -1.535 0.001) 8.356 9.521 ( -3.768 -11.458 0.329) 12.066 9.849 ( 6.947 -6.063 6.306) 11.171 10.850 ( -10.883 -7.488 5.501) 14.310 11.506 ( 6.023 -11.670 6.874) 14.823 11.728 ( -0.814 4.168 -20.392) 20.830 12.321 ( -1.050 -11.063 2.154) 11.320 12.715 ( 7.936 9.958 -9.124) 15.665 12.991 ( -3.972 0.313 0.348) 4.000 13.650 ( -1.502 6.077 -0.982) 6.336 15.628 ( 4.009 -1.785 22.873) 23.290 17.237 ( -8.695 21.101 9.731) 24.811 18.468 ( 1.543 8.286 2.399) 8.763 20.603 ( 1.471 -14.276 -14.595) 20.469 22.494 ( 2.150 -3.439 6.387) 7.566======================= Grid point 223 (123/156) =======================q-point: ( 0.38 -0.19 0.34)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 540Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.332 ( -11.246 16.967 2.793) 20.546 2.804 ( 4.625 8.397 -4.946) 10.787 3.347 ( -3.475 3.743 24.582) 25.107 5.530 ( 1.416 5.950 -8.609) 10.561 5.770 ( -5.276 -3.775 -6.599) 9.254 6.158 ( -1.266 -0.742 8.609) 8.734 6.342 ( -0.273 3.201 5.949) 6.761 6.506 ( 4.581 -0.679 2.936) 5.483 6.851 ( 0.035 0.967 -10.574) 10.618 7.192 ( -1.359 1.440 2.870) 3.487 7.600 ( -4.145 1.741 0.889) 4.583 7.951 ( -1.411 -5.095 -3.244) 6.203 8.135 ( 2.942 -3.063 8.354) 9.371 8.704 ( -0.490 -2.106 -4.238) 4.758 8.823 ( -5.078 -3.056 4.706) 7.568 9.229 ( 7.723 -11.541 1.261) 13.944 9.291 ( 8.188 -6.156 3.174) 10.724 9.879 ( -2.739 0.228 10.046) 10.415 10.657 ( 6.732 -2.682 4.161) 8.356 11.347 ( 5.934 -14.710 8.200) 17.856 11.794 ( 1.340 1.257 -23.998) 24.068 12.110 ( 3.332 -9.524 2.312) 10.352 12.871 ( -8.031 2.720 0.520) 8.495 13.009 ( 2.729 4.966 -5.933) 8.204 13.739 ( -1.850 4.710 0.690) 5.107 15.616 ( -4.903 2.576 24.053) 24.682 17.556 ( -11.461 26.202 2.716) 28.728 18.602 ( -4.394 6.051 2.215) 7.799 20.376 ( 12.434 -19.634 -11.729) 26.032 22.449 ( 2.526 -5.015 6.453) 8.555======================= Grid point 224 (124/156) =======================q-point: ( 0.38 -0.19 -0.52)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 540Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.395 ( -12.905 10.850 -1.681) 16.943 2.810 ( -7.374 -4.900 -2.178) 9.118 3.316 ( -5.677 3.618 24.972) 25.863 5.557 ( -5.978 -2.714 -6.540) 9.267 5.734 ( 2.923 6.916 -8.943) 11.677 6.050 ( -6.119 0.920 5.396) 8.210 6.357 ( -0.206 -1.019 7.432) 7.504 6.557 ( 1.920 -2.798 7.346) 8.092 6.865 ( -0.774 0.135 -10.731) 10.760 7.346 ( 8.072 -0.078 2.420) 8.427 7.572 ( -2.791 4.832 -0.043) 5.580 7.851 ( -0.629 2.740 2.355) 3.667 8.124 ( 2.477 -4.344 -1.930) 5.360 8.690 ( -1.806 -0.334 4.017) 4.417 8.837 ( 7.231 5.540 0.750) 9.140 9.180 ( 7.585 -6.597 5.080) 11.263 9.400 ( 14.633 -9.778 -2.129) 17.728 9.770 ( -6.482 2.605 9.370) 11.688 10.895 ( 13.137 -4.868 2.458) 14.224 11.201 ( 8.187 -6.841 11.566) 15.736 11.803 ( -0.618 -1.374 -23.933) 23.981 12.116 ( 10.171 -3.515 2.225) 10.989 12.775 ( -9.924 6.587 -1.819) 12.049 13.073 ( -0.561 -0.851 -1.767) 2.039 13.750 ( -3.735 1.741 -0.443) 4.144 15.575 ( -5.689 5.151 22.518) 23.790 17.683 ( -19.070 11.694 3.352) 22.620 18.562 ( -7.449 4.099 2.224) 8.789 20.353 ( 18.581 -12.742 -12.284) 25.661 22.421 ( 3.061 -2.325 7.309) 8.258======================= Grid point 229 (125/156) =======================q-point: (-0.34 -0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.573 ( -1.861 20.904 -7.704) 22.356 2.825 ( 1.851 -1.252 -6.042) 6.442 4.754 ( 0.221 4.277 6.073) 7.431 5.170 ( -0.216 2.384 -4.349) 4.964 5.238 ( 0.078 -3.424 -4.978) 6.042 6.386 ( -0.218 6.247 -4.981) 7.993 6.742 ( -0.133 5.359 8.762) 10.272 6.801 ( 0.184 -0.132 8.908) 8.910 7.094 ( 0.034 -1.849 4.223) 4.610 7.132 ( -0.248 -6.788 -2.362) 7.191 7.525 ( 0.531 0.504 6.247) 6.290 7.924 ( -0.383 3.910 1.586) 4.236 8.073 ( -0.300 -8.494 -1.444) 8.621 8.792 ( 0.407 3.431 2.388) 4.200 8.852 ( -0.098 0.218 0.394) 0.461 9.208 ( 0.104 -5.157 7.712) 9.278 9.519 ( 0.183 -10.316 12.888) 16.509 9.774 ( -0.068 -10.150 -24.985) 26.968 10.753 ( -0.092 13.742 4.115) 14.345 10.907 ( -0.152 0.430 2.244) 2.290 11.778 ( -0.049 -7.421 15.725) 17.388 12.070 ( 0.125 -7.221 2.446) 7.625 12.917 ( 2.776 8.509 -2.134) 9.201 13.001 ( -2.983 0.899 -1.501) 3.458 13.983 ( 0.195 3.023 -0.114) 3.031 17.358 ( 0.459 24.425 16.421) 29.435 18.158 ( -0.993 4.882 -6.495) 8.186 18.572 ( 0.307 -0.532 -5.492) 5.527 18.976 ( 0.244 -22.724 -7.287) 23.865 22.674 ( 0.005 -2.890 2.391) 3.751======================= Grid point 233 (126/156) =======================q-point: ( 0.66 -0.20 -0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.750 ( -6.361 -8.034 3.906) 10.967 1.926 ( 10.933 3.089 -8.225) 14.025 4.222 ( 3.231 -3.641 6.047) 7.763 5.326 ( -1.231 2.469 3.342) 4.334 5.460 ( -2.506 1.160 -8.426) 8.867 5.890 ( 1.583 -2.890 3.557) 4.848 6.568 ( 3.247 -2.157 -0.278) 3.908 6.936 ( -5.147 4.281 1.087) 6.782 7.107 ( -3.709 3.742 3.787) 6.489 7.333 ( 5.356 3.993 1.599) 6.870 7.499 ( 7.479 -11.247 0.064) 13.506 7.635 ( -0.445 -4.491 -6.229) 7.693 8.372 ( 0.184 -0.638 -3.956) 4.011 8.619 ( -2.357 6.563 4.273) 8.179 8.739 ( 0.659 -3.687 0.324) 3.760 9.310 ( 2.238 -3.324 -3.247) 5.157 10.422 ( -6.757 2.695 11.370) 13.498 10.546 ( -3.478 7.799 -0.278) 8.544 11.149 ( -5.272 7.174 -0.310) 8.908 11.265 ( -6.996 6.308 -10.115) 13.822 11.632 ( 7.055 -4.964 2.554) 8.996 11.926 ( 4.786 -7.853 -2.360) 9.495 12.798 ( -4.358 5.730 3.595) 8.047 13.165 ( -6.431 -3.494 -5.466) 9.135 13.200 ( 13.424 -3.898 3.283) 14.359 15.916 ( 6.411 -7.921 3.278) 10.705 17.192 ( 2.372 -0.982 3.196) 4.099 19.381 ( -2.484 3.435 21.943) 22.349 19.862 ( -3.045 1.775 -23.284) 23.549 22.957 ( -1.289 1.218 1.657) 2.427======================= Grid point 244 (127/156) =======================q-point: ( 0.21 -0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.754 ( -23.904 23.404 0.000) 33.453 1.911 ( 0.711 23.626 0.000) 23.637 2.339 ( 13.617 20.511 0.000) 24.620 5.515 ( 2.967 2.250 -0.000) 3.724 5.820 ( -0.573 -2.368 -0.000) 2.436 6.137 ( 0.395 -3.377 -0.000) 3.400 6.209 ( -0.177 -2.554 -0.000) 2.560 6.371 ( 3.311 -4.722 -0.000) 5.767 7.033 ( -0.077 5.115 0.000) 5.115 7.383 ( -0.624 1.916 0.000) 2.015 7.629 ( -7.794 1.142 0.000) 7.877 7.887 ( -3.332 -0.485 0.000) 3.367 8.142 ( 4.684 -4.769 -0.000) 6.685 8.839 ( 2.847 -10.670 -0.000) 11.044 9.196 ( -2.337 -3.668 -0.000) 4.349 9.603 ( 3.685 -15.066 -0.000) 15.510 9.715 ( -3.484 -8.774 -0.000) 9.440 9.961 ( -2.847 -12.426 -0.000) 12.748 10.823 ( -5.454 -3.760 0.000) 6.625 11.607 ( 2.214 -10.781 -0.000) 11.006 12.026 ( -0.177 11.800 0.000) 11.801 12.418 ( -3.086 -6.314 -0.000) 7.028 12.861 ( 16.903 4.166 -0.000) 17.409 12.988 ( 0.609 -2.668 -0.000) 2.736 13.907 ( -8.480 -4.025 0.000) 9.387 14.817 ( 0.061 4.147 0.000) 4.148 16.539 ( -7.038 19.530 0.000) 20.759 18.194 ( -0.166 9.990 0.000) 9.992 21.198 ( -1.069 -8.090 -0.000) 8.160 22.469 ( 6.976 -6.604 -0.000) 9.606======================= Grid point 245 (128/156) =======================q-point: ( 0.21 -0.21 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.794 ( -15.656 22.418 0.000) 27.343 2.388 ( 2.741 14.754 0.000) 15.006 2.942 ( 13.104 6.363 -0.000) 14.568 5.689 ( -1.094 11.303 0.000) 11.356 5.770 ( -0.728 -0.320 0.000) 0.795 6.028 ( -2.615 -2.904 -0.000) 3.908 6.190 ( 2.844 -2.995 -0.000) 4.130 6.457 ( 7.298 -2.633 -0.000) 7.758 7.104 ( -3.106 4.499 0.000) 5.467 7.309 ( -5.952 -9.089 -0.000) 10.865 7.467 ( 0.950 5.578 0.000) 5.658 7.884 ( -7.148 -6.586 0.000) 9.720 7.972 ( -2.158 5.271 0.000) 5.695 8.743 ( -3.428 -2.793 0.000) 4.422 9.105 ( 2.150 -2.261 -0.000) 3.120 9.181 ( -9.882 -12.086 -0.000) 15.612 9.500 ( 0.329 -6.116 -0.000) 6.125 9.838 ( 14.341 -14.544 -0.000) 20.425 10.677 ( 5.268 -7.564 -0.000) 9.217 11.469 ( 6.594 -12.279 -0.000) 13.938 12.222 ( -1.366 7.696 0.000) 7.816 12.228 ( 0.790 -7.509 -0.000) 7.551 12.844 ( -8.715 -2.451 0.000) 9.053 13.172 ( 7.054 -0.790 -0.000) 7.098 13.706 ( -6.296 4.286 0.000) 7.617 14.904 ( -1.604 4.965 0.000) 5.218 16.903 ( -5.453 24.173 0.000) 24.780 18.363 ( -4.839 9.923 0.000) 11.040 21.025 ( 8.731 -14.822 -0.000) 17.203 22.435 ( 2.864 -7.040 -0.000) 7.600======================= Grid point 246 (129/156) =======================q-point: ( 0.21 -0.21 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.014 ( -6.994 18.791 0.000) 20.050 2.575 ( -4.609 3.676 0.000) 5.895 3.121 ( 2.958 -6.623 -0.000) 7.253 5.785 ( -0.069 1.740 0.000) 1.741 5.803 ( -11.396 7.204 0.000) 13.482 5.946 ( -0.273 -0.777 -0.000) 0.823 6.189 ( 3.033 -3.029 -0.000) 4.286 6.444 ( 0.763 -5.368 -0.000) 5.422 7.115 ( -4.248 4.329 0.000) 6.066 7.167 ( 4.709 1.178 -0.000) 4.854 7.585 ( -2.494 4.093 0.000) 4.793 7.728 ( 2.049 -0.680 -0.000) 2.159 8.110 ( 4.007 3.232 -0.000) 5.148 8.554 ( -11.909 3.322 0.000) 12.364 8.870 ( -0.190 -3.044 -0.000) 3.050 9.097 ( 4.103 -4.811 -0.000) 6.323 9.492 ( 6.488 -3.314 -0.000) 7.285 9.858 ( 15.857 -14.463 -0.000) 21.462 10.791 ( 12.653 0.624 -0.000) 12.669 11.301 ( 7.243 -18.140 -0.000) 19.533 12.177 ( 8.555 -6.481 -0.000) 10.733 12.292 ( -3.799 3.984 0.000) 5.505 12.611 ( -12.872 5.859 0.000) 14.143 13.192 ( -1.127 -2.025 -0.000) 2.318 13.767 ( 0.619 4.438 0.000) 4.481 14.942 ( -3.885 3.813 0.000) 5.444 17.231 ( -12.554 21.304 0.000) 24.728 18.382 ( -8.919 6.133 0.000) 10.824 20.966 ( 17.423 -16.581 -0.000) 24.052 22.317 ( -0.505 -4.971 -0.000) 4.997======================= Grid point 248 (130/156) =======================q-point: ( 0.21 -0.21 -0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.204 ( -11.515 14.615 0.000) 18.606 2.365 ( -15.113 -2.218 0.000) 15.275 2.769 ( -9.391 -18.558 -0.000) 20.799 5.595 ( -12.840 3.558 0.000) 13.324 5.799 ( 0.302 -0.119 -0.000) 0.324 6.013 ( 3.032 3.051 0.000) 4.301 6.191 ( 3.025 -2.778 -0.000) 4.107 6.336 ( 0.084 -3.605 -0.000) 3.606 7.106 ( -4.331 2.915 0.000) 5.220 7.499 ( -5.834 -1.469 0.000) 6.016 7.522 ( 14.286 4.812 -0.000) 15.074 7.821 ( 5.496 0.677 -0.000) 5.538 8.130 ( -6.384 -0.031 0.000) 6.384 8.551 ( 3.012 6.775 0.000) 7.414 9.096 ( 11.985 9.683 -0.000) 15.407 9.125 ( 3.690 -0.195 -0.000) 3.695 9.593 ( 8.383 -2.391 -0.000) 8.718 9.887 ( 14.640 -13.321 -0.000) 19.794 11.007 ( 3.929 -16.476 -0.000) 16.938 11.204 ( 17.540 3.240 -0.000) 17.837 12.227 ( -7.571 1.241 0.000) 7.672 12.277 ( 10.060 -3.552 -0.000) 10.669 12.626 ( -6.759 14.704 0.000) 16.183 13.070 ( -4.456 -2.818 0.000) 5.273 13.876 ( 3.357 1.215 -0.000) 3.570 14.902 ( -5.005 1.649 0.000) 5.269 17.123 ( -21.010 0.917 0.000) 21.030 18.317 ( -9.291 6.610 0.000) 11.403 21.049 ( 16.773 -10.564 -0.000) 19.822 22.275 ( 1.950 1.176 -0.000) 2.277======================= Grid point 252 (131/156) =======================q-point: ( 0.49 -0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 540Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.361 ( 0.646 22.848 -8.493) 24.384 2.818 ( -1.970 5.568 4.048) 7.161 3.896 ( 1.152 6.513 24.419) 25.298 5.367 ( -1.604 3.708 -7.137) 8.201 5.645 ( 1.842 -2.505 -8.776) 9.310 6.277 ( 8.100 6.800 5.367) 11.860 6.427 ( -5.300 0.054 4.969) 7.265 6.640 ( -3.894 -2.867 2.479) 5.434 6.698 ( 0.403 -1.031 1.499) 1.863 7.298 ( -3.182 -1.790 1.592) 3.983 7.606 ( 1.224 0.068 -1.145) 1.677 7.927 ( -4.426 -2.883 -4.531) 6.959 8.174 ( 9.624 -7.256 5.968) 13.449 8.692 ( -3.242 1.242 -0.521) 3.511 8.993 ( 7.405 -6.866 0.916) 10.140 9.049 ( -7.935 -6.911 2.474) 10.810 9.371 ( 0.540 -12.649 6.976) 14.455 10.064 ( 4.109 11.349 9.607) 15.427 10.799 ( -7.534 -5.637 4.672) 10.506 11.192 ( -0.113 -3.407 -30.349) 30.540 11.450 ( 2.705 -12.624 11.750) 17.457 12.134 ( 0.081 -10.582 3.158) 11.043 12.815 ( 4.298 10.911 -4.263) 12.477 13.011 ( -4.344 1.318 -0.310) 4.550 13.802 ( 0.298 5.284 2.752) 5.966 16.164 ( 2.458 7.177 23.792) 24.972 17.845 ( -5.639 19.550 5.637) 21.114 18.641 ( 1.868 5.086 -0.108) 5.420 19.939 ( 1.284 -18.865 -14.723) 23.965 22.550 ( 0.439 -4.302 6.748) 8.015======================= Grid point 253 (132/156) =======================q-point: ( 0.49 -0.22 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 540Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.675 ( -11.073 10.307 0.574) 15.139 2.837 ( -3.319 4.853 -3.444) 6.814 3.973 ( -5.402 4.590 24.809) 25.802 5.489 ( 1.572 6.256 -8.807) 10.916 5.535 ( -4.669 -3.260 -8.556) 10.278 6.322 ( -6.061 1.629 6.921) 9.343 6.516 ( -1.079 -2.188 7.482) 7.870 6.579 ( 7.548 2.789 4.013) 8.992 6.676 ( 0.446 -2.398 -2.423) 3.438 7.287 ( 3.094 -1.143 0.015) 3.299 7.604 ( -1.673 0.536 -3.451) 3.873 7.883 ( 0.542 5.581 1.371) 5.772 8.059 ( -0.723 -8.438 -0.445) 8.480 8.727 ( 1.780 4.709 0.843) 5.105 8.834 ( -1.221 -5.593 3.396) 6.656 9.100 ( 12.625 -5.020 4.905) 14.445 9.144 ( 6.812 -12.192 5.364) 14.961 10.247 ( -12.699 8.539 12.466) 19.737 10.747 ( 5.828 1.518 3.886) 7.167 11.143 ( 2.480 -2.254 -28.317) 28.514 11.290 ( 9.134 -11.943 8.350) 17.198 12.006 ( 5.712 -5.763 3.419) 8.805 12.930 ( -7.467 3.019 -1.314) 8.161 13.032 ( 1.278 3.252 -1.392) 3.762 13.859 ( -2.890 2.656 2.927) 4.897 16.242 ( -6.523 5.114 27.684) 28.898 18.081 ( -15.862 20.094 -1.702) 25.657 18.717 ( -2.918 1.093 0.898) 3.242 19.697 ( 16.535 -17.486 -13.566) 27.626 22.500 ( 2.932 -3.192 6.875) 8.127======================= Grid point 260 (133/156) =======================q-point: (-0.23 -0.23 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 143Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.610 ( -0.000 0.000 -12.491) 12.491 2.610 ( -0.000 0.000 -12.491) 12.491 4.687 ( -0.000 0.000 -15.291) 15.291 5.170 ( 0.000 -0.000 2.016) 2.016 5.170 ( 0.000 -0.000 2.016) 2.016 6.365 ( -0.000 0.000 -4.209) 4.209 6.992 ( 0.000 -0.000 7.365) 7.365 6.992 ( 0.000 -0.000 7.365) 7.365 7.030 ( -0.000 0.000 -3.823) 3.823 7.045 ( 0.000 -0.000 2.052) 2.052 7.854 ( 0.000 -0.000 16.333) 16.333 7.942 ( -0.000 0.000 -0.709) 0.709 7.942 ( -0.000 0.000 -0.709) 0.709 8.940 ( 0.000 -0.000 4.622) 4.622 8.940 ( 0.000 -0.000 4.622) 4.622 9.168 ( -0.000 0.000 -18.760) 18.760 9.297 ( 0.000 -0.000 12.237) 12.237 9.689 ( 0.000 -0.000 12.847) 12.847 10.928 ( -0.000 0.000 -1.580) 1.580 10.928 ( -0.000 0.000 -1.580) 1.580 12.021 ( 0.000 -0.000 3.128) 3.128 12.061 ( 0.000 -0.000 15.174) 15.174 12.970 ( -0.000 0.000 -2.416) 2.416 12.970 ( -0.000 0.000 -2.416) 2.416 13.972 ( -0.000 0.000 -4.071) 4.071 17.877 ( -0.000 0.000 -23.786) 23.786 18.272 ( 0.000 -0.000 28.994) 28.994 18.416 ( -0.000 0.000 -7.876) 7.876 18.416 ( -0.000 0.000 -7.876) 7.876 22.652 ( -0.000 0.000 -1.490) 1.490======================= Grid point 274 (134/156) =======================q-point: ( 0.33 -0.24 0.24)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.212 ( -16.446 20.227 -1.358) 26.105 2.385 ( 5.179 17.162 2.541) 18.105 2.801 ( 5.966 5.811 16.575) 18.550 5.557 ( 1.004 6.031 -6.372) 8.831 5.896 ( 1.268 0.712 6.303) 6.468 6.064 ( 3.356 -2.823 -6.232) 7.620 6.160 ( -1.878 -0.565 6.910) 7.182 6.377 ( 1.582 0.502 4.341) 4.647 7.032 ( -0.233 3.976 -9.297) 10.114 7.425 ( -8.276 -3.414 -0.743) 8.983 7.519 ( -0.759 -1.726 1.534) 2.431 7.948 ( 4.552 -2.069 4.523) 6.743 8.120 ( -2.728 -1.473 1.688) 3.530 8.686 ( 5.695 -5.756 2.593) 8.503 9.132 ( -4.156 -5.205 0.463) 6.676 9.233 ( 5.255 -7.978 -4.511) 10.564 9.539 ( -8.924 -12.629 -1.289) 15.517 9.725 ( 5.026 -9.039 5.259) 11.603 10.742 ( -9.628 -7.432 4.328) 12.910 11.380 ( 6.488 -14.275 4.681) 16.364 12.076 ( -0.465 5.977 -12.421) 13.792 12.280 ( -0.973 -9.459 1.819) 9.681 12.882 ( 11.733 5.239 -5.202) 13.863 12.988 ( -4.384 1.283 -0.740) 4.628 13.733 ( -3.729 2.744 -6.663) 8.114 15.164 ( 1.310 0.635 20.094) 20.147 17.089 ( -7.252 25.659 4.636) 27.064 18.428 ( 1.185 9.821 1.390) 9.990 20.843 ( 0.362 -16.567 -8.118) 18.452 22.384 ( 3.808 -4.533 3.938) 7.110======================= Grid point 275 (135/156) =======================q-point: ( 0.33 -0.24 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.268 ( -13.442 18.122 2.667) 22.720 2.795 ( 1.980 9.989 10.914) 14.927 2.991 ( 4.255 -1.094 3.411) 5.562 5.710 ( 1.011 6.567 -7.920) 10.338 5.872 ( -4.083 -0.906 -2.913) 5.097 6.030 ( -2.211 -1.805 2.594) 3.857 6.212 ( 1.477 4.161 6.767) 8.080 6.457 ( 2.331 0.255 1.950) 3.049 7.054 ( 0.974 -3.464 -7.606) 8.414 7.172 ( -4.108 1.913 -1.035) 4.648 7.589 ( -4.476 4.816 -0.625) 6.605 7.909 ( -3.752 -1.870 8.292) 9.291 8.026 ( 4.925 -1.458 0.612) 5.172 8.693 ( 2.861 -4.472 2.744) 5.976 8.857 ( -6.554 -5.673 -5.462) 10.245 9.124 ( 1.087 -9.308 6.119) 11.192 9.342 ( 9.677 -5.262 -5.596) 12.355 9.681 ( 0.936 -3.889 9.241) 10.069 10.583 ( 7.721 -3.273 2.745) 8.824 11.200 ( 7.302 -16.880 5.416) 19.173 12.053 ( 3.990 -7.849 0.532) 8.821 12.210 ( -1.138 2.456 -12.827) 13.110 12.860 ( -9.176 2.858 0.418) 9.620 13.117 ( 3.972 0.703 -3.919) 5.624 13.749 ( -1.230 3.299 -1.352) 3.771 15.187 ( -3.172 3.370 15.976) 16.632 17.511 ( -11.437 28.935 1.526) 31.151 18.570 ( -6.281 7.700 0.983) 9.985 20.564 ( 12.814 -21.047 -6.244) 25.420 22.337 ( 2.444 -5.644 4.046) 7.362======================= Grid point 276 (136/156) =======================q-point: ( 0.33 -0.24 -0.47)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.403 ( -9.262 15.323 0.271) 17.907 2.799 ( -10.878 -3.196 10.833) 15.681 2.912 ( -2.109 -5.688 5.229) 8.009 5.707 ( -6.973 -1.152 -7.810) 10.533 5.889 ( -1.070 7.080 -3.946) 8.176 5.948 ( -0.442 -1.066 2.180) 2.467 6.224 ( -2.347 -1.169 6.640) 7.139 6.431 ( -2.433 -1.648 4.012) 4.973 7.073 ( 0.054 0.449 -8.778) 8.790 7.286 ( 9.198 3.284 3.206) 10.280 7.595 ( -4.826 5.153 -2.532) 7.501 7.798 ( -1.164 -1.233 3.173) 3.598 8.127 ( 4.785 -2.258 1.249) 5.436 8.610 ( -2.031 -1.425 3.010) 3.901 8.853 ( 7.293 5.566 -2.023) 9.394 9.081 ( 6.542 -2.956 4.282) 8.359 9.456 ( 13.491 -8.711 -2.821) 16.305 9.615 ( -0.235 -0.949 5.543) 5.629 10.847 ( 14.584 -4.900 1.943) 15.507 10.992 ( 7.819 -9.324 7.782) 14.444 12.065 ( 9.093 -4.394 0.773) 10.129 12.212 ( -2.475 1.220 -12.983) 13.273 12.793 ( -8.249 9.080 -0.189) 12.269 13.114 ( -1.116 -2.998 -1.790) 3.666 13.784 ( -0.405 0.846 -2.351) 2.531 15.174 ( -4.353 3.249 14.895) 15.854 17.628 ( -22.584 11.387 1.893) 25.363 18.531 ( -9.068 6.310 0.900) 11.084 20.553 ( 20.963 -13.270 -6.778) 25.720 22.291 ( 2.284 -2.062 4.823) 5.721======================= Grid point 281 (137/156) =======================q-point: (-0.39 -0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 540Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.699 ( -0.536 18.589 -4.684) 19.178 2.903 ( 0.449 0.621 -1.666) 1.834 4.491 ( 0.309 5.692 18.407) 19.270 5.301 ( -1.092 3.762 -7.925) 8.840 5.388 ( 1.004 -3.314 -8.984) 9.628 6.483 ( 1.145 6.465 -2.413) 6.995 6.570 ( -2.061 3.129 6.504) 7.506 6.623 ( 1.118 -1.515 6.637) 6.899 6.868 ( -0.475 -2.357 15.079) 15.269 7.203 ( -0.348 -5.747 -3.529) 6.753 7.511 ( 0.284 -2.706 -3.715) 4.605 7.912 ( -1.292 5.798 -0.011) 5.940 8.081 ( 1.492 -7.427 1.062) 7.650 8.753 ( -1.208 3.319 1.175) 3.722 8.853 ( 2.371 -3.794 -0.290) 4.483 9.060 ( -1.592 -4.833 6.794) 8.488 9.261 ( 0.524 -12.664 11.606) 17.186 10.386 ( 0.130 -2.508 -31.557) 31.657 10.626 ( 1.224 13.817 6.554) 15.341 10.838 ( -1.999 0.206 4.344) 4.787 11.448 ( 0.370 -12.910 15.824) 20.425 12.010 ( 0.067 -7.098 3.235) 7.801 12.957 ( 2.598 7.294 -1.786) 7.946 13.026 ( -2.741 0.968 -0.870) 3.034 13.954 ( 0.140 2.977 2.666) 3.999 16.897 ( 0.596 11.545 26.602) 29.005 18.263 ( -2.104 17.065 -3.791) 17.608 18.668 ( 1.279 1.338 -3.833) 4.256 19.206 ( 0.264 -22.359 -13.135) 25.933 22.593 ( 0.026 -3.059 5.267) 6.091======================= Grid point 304 (138/156) =======================q-point: ( 0.45 -0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.518 ( -2.442 17.057 -6.173) 18.303 2.724 ( 0.146 8.468 4.401) 9.544 3.368 ( 1.094 5.803 25.606) 26.278 5.521 ( -0.598 5.580 -7.884) 9.677 5.823 ( 0.803 -2.622 -8.154) 8.602 6.117 ( 4.290 3.218 8.772) 10.281 6.337 ( -0.178 2.846 4.037) 4.943 6.497 ( -2.571 -1.174 6.284) 6.890 6.855 ( -0.615 -0.593 -10.123) 10.159 7.275 ( -5.076 -3.071 0.379) 5.945 7.627 ( 1.121 4.174 -0.842) 4.403 7.965 ( 1.972 -4.250 2.459) 5.291 8.076 ( 1.816 -4.652 2.093) 5.415 8.665 ( 0.950 -1.854 3.114) 3.747 8.944 ( -1.310 -7.687 1.179) 7.887 9.075 ( 1.138 -7.954 -2.882) 8.536 9.254 ( -2.729 -13.552 4.368) 14.498 9.864 ( 4.224 8.077 9.438) 13.121 10.691 ( -9.165 -6.293 5.484) 12.396 11.218 ( 5.296 -15.126 10.204) 18.999 11.782 ( -0.326 1.346 -24.888) 24.927 12.077 ( -0.145 -10.814 1.861) 10.974 12.910 ( 5.495 7.400 -4.662) 10.329 13.013 ( -4.458 1.440 0.081) 4.685 13.764 ( -0.346 4.340 0.581) 4.392 15.652 ( 1.411 3.029 24.402) 24.630 17.751 ( -4.790 26.601 3.585) 27.265 18.638 ( 1.558 7.377 0.331) 7.547 20.215 ( 0.998 -21.624 -11.650) 24.583 22.407 ( 0.936 -4.429 6.784) 8.156======================= Grid point 305 (139/156) =======================q-point: ( 0.45 -0.27 0.41)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.646 ( -10.425 11.810 2.004) 15.880 2.893 ( -0.594 0.484 -1.961) 2.105 3.437 ( -4.508 3.807 26.015) 26.676 5.675 ( 0.485 5.404 -9.144) 10.632 5.701 ( -4.752 -1.257 -7.226) 8.739 6.147 ( -2.197 -0.013 9.568) 9.817 6.388 ( -2.994 1.292 3.369) 4.688 6.508 ( 2.623 0.077 1.909) 3.246 6.817 ( 4.230 -3.029 -7.449) 9.086 7.263 ( 0.206 2.931 1.500) 3.299 7.659 ( -4.726 3.878 -1.963) 6.421 7.875 ( -1.293 -0.787 -0.175) 1.524 8.049 ( 3.993 -4.847 1.516) 6.461 8.701 ( 4.504 -1.903 5.575) 7.415 8.742 ( -2.590 -0.361 0.033) 2.615 9.013 ( 7.625 -7.318 3.979) 11.293 9.101 ( 11.420 -10.254 -0.584) 15.359 9.989 ( -11.763 8.087 12.128) 18.731 10.651 ( 8.755 1.162 4.793) 10.049 11.017 ( 8.472 -14.649 11.014) 20.191 11.805 ( 0.283 -0.092 -27.398) 27.399 11.941 ( 5.735 -5.692 2.714) 8.523 12.946 ( -6.133 3.890 -0.236) 7.266 13.068 ( 1.115 0.610 -2.013) 2.381 13.811 ( -1.972 2.116 1.510) 3.263 15.683 ( -3.765 3.024 25.179) 25.638 18.099 ( -18.321 22.177 -0.304) 28.767 18.708 ( -5.730 3.898 0.063) 6.930 19.942 ( 18.283 -19.068 -9.999) 28.246 22.355 ( 2.759 -3.298 6.770) 8.020======================= Grid point 312 (140/156) =======================q-point: (-0.27 -0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 156Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.810 ( -0.000 0.000 -7.022) 7.022 2.810 ( -0.000 0.000 -7.022) 7.022 4.801 ( 0.000 -0.000 4.061) 4.061 5.199 ( -0.000 0.000 -4.687) 4.687 5.199 ( -0.000 0.000 -4.687) 4.687 6.459 ( -0.000 0.000 -4.961) 4.961 6.805 ( 0.000 -0.000 10.035) 10.035 6.805 ( 0.000 -0.000 10.035) 10.035 7.053 ( -0.000 0.000 -2.613) 2.613 7.065 ( 0.000 -0.000 2.882) 2.882 7.534 ( 0.000 -0.000 11.596) 11.596 7.974 ( -0.000 0.000 -1.795) 1.795 7.974 ( -0.000 0.000 -1.795) 1.795 8.859 ( 0.000 -0.000 3.178) 3.178 8.859 ( 0.000 -0.000 3.178) 3.178 9.096 ( 0.000 -0.000 7.650) 7.650 9.403 ( 0.000 -0.000 13.490) 13.490 9.669 ( -0.000 0.000 -28.429) 28.429 10.924 ( 0.000 -0.000 1.979) 1.979 10.924 ( 0.000 -0.000 1.979) 1.979 11.675 ( 0.000 -0.000 19.813) 19.813 11.984 ( 0.000 -0.000 2.465) 2.465 13.011 ( -0.000 0.000 -1.591) 1.591 13.011 ( -0.000 0.000 -1.591) 1.591 14.015 ( -0.000 0.000 -0.159) 0.159 17.664 ( 0.000 -0.000 30.066) 30.066 18.339 ( -0.000 0.000 -20.730) 20.730 18.566 ( -0.000 0.000 -6.488) 6.488 18.566 ( -0.000 0.000 -6.488) 6.488 22.641 ( 0.000 -0.000 2.439) 2.439======================= Grid point 328 (141/156) =======================q-point: ( 0.29 -0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.210 ( -19.345 19.004 0.000) 27.118 2.347 ( 0.704 16.962 0.000) 16.976 2.642 ( 12.643 8.726 -0.000) 15.362 5.668 ( 2.710 11.407 0.000) 11.725 5.787 ( -0.802 -0.512 0.000) 0.951 6.065 ( 0.508 -3.288 -0.000) 3.327 6.148 ( -0.136 -3.177 -0.000) 3.180 6.335 ( 3.313 1.414 -0.000) 3.602 7.141 ( 0.016 4.919 0.000) 4.919 7.461 ( -7.304 -11.903 -0.000) 13.965 7.467 ( -1.014 6.092 0.000) 6.176 7.898 ( 3.434 -2.284 -0.000) 4.124 8.098 ( -4.814 -1.126 0.000) 4.944 8.656 ( 6.126 -5.545 -0.000) 8.263 9.127 ( -1.108 -3.451 -0.000) 3.625 9.294 ( 4.429 -13.634 -0.000) 14.336 9.550 ( -2.729 -5.191 -0.000) 5.864 9.664 ( -3.312 -15.235 -0.000) 15.591 10.694 ( -8.536 -7.363 0.000) 11.273 11.329 ( 6.462 -14.929 -0.000) 16.267 12.230 ( -1.045 -10.442 -0.000) 10.494 12.238 ( -0.147 7.985 0.000) 7.986 12.920 ( 9.228 2.502 -0.000) 9.561 13.010 ( -0.432 2.634 0.000) 2.669 13.836 ( -4.667 -2.506 0.000) 5.298 14.922 ( 0.056 5.453 0.000) 5.453 17.042 ( -6.702 27.089 0.000) 27.905 18.413 ( 1.050 10.364 0.000) 10.417 20.928 ( -0.278 -17.225 -0.000) 17.227 22.342 ( 4.700 -5.265 -0.000) 7.057======================= Grid point 329 (142/156) =======================q-point: ( 0.29 -0.29 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.239 ( -13.858 18.867 0.000) 23.409 2.632 ( -1.076 8.225 0.000) 8.295 2.994 ( 8.759 -0.807 -0.000) 8.796 5.788 ( -0.329 1.880 0.000) 1.909 5.964 ( -3.376 13.127 0.000) 13.554 5.971 ( -1.860 -2.344 -0.000) 2.993 6.121 ( 3.151 -3.390 -0.000) 4.628 6.432 ( 0.694 0.536 -0.000) 0.877 7.127 ( -1.038 -7.497 -0.000) 7.569 7.201 ( -3.346 4.327 0.000) 5.470 7.621 ( -1.172 8.594 0.000) 8.673 7.783 ( -6.193 -2.587 0.000) 6.711 8.017 ( 4.309 -1.106 -0.000) 4.449 8.666 ( 1.987 -4.545 -0.000) 4.960 8.947 ( -6.358 -9.358 -0.000) 11.314 9.026 ( 2.359 -6.011 -0.000) 6.457 9.476 ( -5.136 4.839 0.000) 7.056 9.513 ( 15.485 -15.546 -0.000) 21.943 10.553 ( 7.912 -3.497 -0.000) 8.651 11.142 ( 7.652 -17.547 -0.000) 19.143 12.042 ( 3.982 -8.826 -0.000) 9.682 12.350 ( -1.761 4.428 0.000) 4.765 12.855 ( -9.592 2.899 0.000) 10.020 13.158 ( 4.341 -1.004 -0.000) 4.455 13.769 ( -0.884 1.675 0.000) 1.894 15.012 ( -2.456 4.853 0.000) 5.439 17.495 ( -11.498 29.804 0.000) 31.945 18.560 ( -6.801 8.270 0.000) 10.708 20.629 ( 12.854 -21.476 -0.000) 25.029 22.293 ( 2.448 -5.985 -0.000) 6.466======================= Grid point 330 (143/156) =======================q-point: ( 0.29 -0.29 -0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.401 ( -8.276 16.836 0.000) 18.760 2.621 ( -8.911 1.126 0.000) 8.982 2.908 ( -3.765 -12.653 -0.000) 13.202 5.809 ( -1.080 0.159 0.000) 1.092 5.909 ( -15.120 3.307 0.000) 15.477 5.958 ( 1.986 1.920 -0.000) 2.762 6.122 ( 3.393 -3.075 -0.000) 4.579 6.395 ( -4.632 0.027 0.000) 4.632 7.200 ( -4.293 3.246 0.000) 5.382 7.221 ( 13.108 1.852 -0.000) 13.238 7.647 ( -7.701 1.324 0.000) 7.814 7.741 ( 1.563 2.635 0.000) 3.064 8.106 ( 6.059 -2.665 -0.000) 6.619 8.578 ( -2.121 -1.229 0.000) 2.451 8.887 ( 7.113 4.876 -0.000) 8.624 9.026 ( 6.149 -2.076 -0.000) 6.490 9.498 ( -1.569 3.835 0.000) 4.144 9.547 ( 16.750 -14.040 -0.000) 21.856 10.825 ( 15.258 -4.138 -0.000) 15.809 10.907 ( 7.204 -10.854 -0.000) 13.027 12.053 ( 9.800 -4.280 -0.000) 10.694 12.352 ( -4.291 1.746 0.000) 4.632 12.793 ( -7.863 9.880 0.000) 12.627 13.134 ( -1.203 -3.554 -0.000) 3.752 13.815 ( 2.130 0.348 -0.000) 2.158 15.012 ( -4.906 2.461 0.000) 5.489 17.608 ( -23.746 11.385 0.000) 26.335 18.522 ( -9.600 6.916 0.000) 11.831 20.624 ( 21.928 -13.397 -0.000) 25.697 22.239 ( 1.891 -1.964 -0.000) 2.727======================= Grid point 335 (144/156) =======================q-point: ( 0.56 -0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.772 ( 0.208 14.270 -2.456) 14.481 2.904 ( -0.413 2.562 1.307) 2.906 4.030 ( 0.243 5.112 25.338) 25.849 5.481 ( -1.036 5.890 -9.056) 10.852 5.586 ( 1.047 -2.480 -9.645) 10.014 6.401 ( 3.802 3.708 9.885) 11.222 6.443 ( -1.871 2.484 3.304) 4.537 6.576 ( -3.145 -3.782 8.551) 9.865 6.660 ( 0.992 -2.147 -4.136) 4.765 7.259 ( -0.448 -2.136 -1.713) 2.775 7.614 ( 0.427 0.611 -5.422) 5.473 7.917 ( -4.142 2.238 -0.454) 4.729 8.029 ( 4.910 -5.551 3.551) 8.218 8.732 ( -2.388 2.446 1.768) 3.848 8.858 ( 6.524 -5.095 0.212) 8.280 8.916 ( -5.586 -4.817 6.274) 9.683 9.070 ( 0.846 -13.841 6.475) 15.304 10.387 ( 2.034 17.212 11.847) 20.994 10.729 ( -3.464 -1.045 5.920) 6.938 11.126 ( -2.062 -8.446 -13.646) 16.181 11.143 ( 3.307 -9.772 -7.102) 12.525 11.941 ( 0.013 -6.961 3.310) 7.708 12.992 ( 2.489 5.458 -1.585) 6.205 13.038 ( -2.516 1.011 -0.364) 2.736 13.889 ( 0.069 2.735 3.230) 4.233 16.307 ( 0.382 5.288 29.508) 29.980 18.322 ( -1.821 24.405 -2.040) 24.557 18.732 ( 1.108 3.158 -2.418) 4.129 19.475 ( 0.314 -23.870 -12.302) 26.855 22.465 ( 0.071 -3.210 6.896) 7.607======================= Grid point 358 (145/156) =======================q-point: ( 0.40 -0.31 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 540Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.578 ( -14.158 13.757 0.796) 19.756 2.676 ( 9.471 9.926 0.212) 13.721 2.905 ( 2.815 4.755 16.822) 17.707 5.696 ( 0.137 6.379 -8.704) 10.793 5.925 ( -1.321 0.008 1.469) 1.976 6.015 ( 3.969 -1.187 -2.762) 4.978 6.200 ( -0.628 5.276 9.441) 10.834 6.421 ( 0.636 3.280 1.254) 3.569 7.062 ( -1.167 -3.983 -9.207) 10.099 7.271 ( -4.012 -3.330 0.639) 5.253 7.639 ( -0.429 8.014 -0.412) 8.036 7.882 ( 6.560 -2.842 3.766) 8.080 8.042 ( -5.400 -5.252 2.223) 7.855 8.602 ( 2.621 -3.127 2.210) 4.640 8.953 ( -0.204 -8.543 -1.784) 8.730 9.095 ( 5.530 -8.430 2.659) 10.427 9.239 ( -6.875 -14.860 -4.159) 16.893 9.680 ( 2.359 5.680 8.212) 10.260 10.588 ( -9.115 -6.218 4.018) 11.743 11.047 ( 6.575 -16.475 5.973) 18.717 12.014 ( -0.319 -9.322 0.596) 9.347 12.223 ( -0.072 2.615 -13.477) 13.729 12.978 ( 6.382 3.641 -1.033) 7.420 13.026 ( -4.141 1.720 -1.834) 4.845 13.777 ( -1.121 1.521 -1.481) 2.400 15.216 ( 0.434 3.517 16.217) 16.599 17.696 ( -4.245 30.486 1.772) 30.831 18.631 ( 1.351 8.874 0.279) 8.981 20.405 ( 0.609 -23.874 -6.451) 24.738 22.287 ( 1.531 -4.429 4.394) 6.423======================= Grid point 359 (146/156) =======================q-point: ( 0.40 -0.31 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 540Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.606 ( -9.708 13.137 1.543) 16.408 2.917 ( 1.752 -1.750 0.593) 2.546 2.962 ( -4.382 1.890 16.995) 17.652 5.818 ( -2.621 1.332 -3.347) 4.455 5.863 ( 0.302 2.249 -8.329) 8.632 5.996 ( -1.248 -1.186 3.086) 3.534 6.309 ( -5.011 4.038 5.632) 8.552 6.486 ( -1.800 1.782 0.437) 2.570 6.945 ( 7.434 -4.932 -4.489) 9.987 7.258 ( -2.584 3.883 -1.151) 4.804 7.703 ( -5.378 5.933 -2.782) 8.477 7.862 ( -3.833 -2.552 1.982) 5.013 7.999 ( 6.371 -1.102 2.899) 7.086 8.592 ( 3.683 -4.499 3.524) 6.799 8.777 ( -0.652 -0.954 -2.161) 2.450 8.935 ( 5.514 -6.625 3.483) 9.297 9.144 ( 14.013 -11.451 -3.162) 18.370 9.763 ( -10.340 8.263 9.185) 16.111 10.565 ( 10.385 0.939 3.191) 10.905 10.830 ( 7.324 -16.253 6.586) 19.005 11.897 ( 5.809 -5.659 1.486) 8.244 12.254 ( -1.270 1.322 -15.355) 15.464 12.945 ( -5.885 4.609 0.153) 7.477 13.106 ( 1.825 -1.682 -1.405) 2.852 13.793 ( -0.475 1.022 0.510) 1.238 15.256 ( -2.934 2.714 14.920) 15.446 18.100 ( -19.934 23.505 0.075) 30.820 18.709 ( -7.056 5.345 -0.089) 8.853 20.102 ( 19.567 -20.156 -5.329) 28.593 22.237 ( 2.499 -3.353 4.323) 6.014======================= Grid point 366 (147/156) =======================q-point: (-0.32 -0.32 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 143Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.908 ( -0.000 0.000 -2.682) 2.682 2.908 ( -0.000 0.000 -2.682) 2.682 4.556 ( 0.000 -0.000 18.417) 18.417 5.349 ( -0.000 0.000 -9.333) 9.333 5.349 ( -0.000 0.000 -9.333) 9.333 6.560 ( -0.000 0.000 -4.493) 4.493 6.608 ( 0.000 -0.000 8.334) 8.334 6.608 ( 0.000 -0.000 8.334) 8.334 6.833 ( 0.000 -0.000 17.147) 17.147 7.134 ( -0.000 0.000 -4.728) 4.728 7.478 ( -0.000 0.000 -4.288) 4.288 7.995 ( 0.000 -0.000 0.084) 0.084 7.995 ( 0.000 -0.000 0.084) 0.084 8.812 ( 0.000 -0.000 1.344) 1.344 8.812 ( 0.000 -0.000 1.344) 1.344 8.967 ( 0.000 -0.000 5.070) 5.070 9.115 ( 0.000 -0.000 13.890) 13.890 10.347 ( -0.000 0.000 -36.084) 36.084 10.850 ( 0.000 -0.000 5.003) 5.003 10.850 ( 0.000 -0.000 5.003) 5.003 11.248 ( 0.000 -0.000 21.256) 21.256 11.926 ( 0.000 -0.000 3.060) 3.060 13.037 ( -0.000 0.000 -0.887) 0.887 13.037 ( -0.000 0.000 -0.887) 0.887 13.985 ( 0.000 -0.000 2.741) 2.741 17.025 ( 0.000 -0.000 31.672) 31.672 18.683 ( -0.000 0.000 -4.861) 4.861 18.683 ( -0.000 0.000 -4.861) 4.861 18.728 ( -0.000 0.000 -16.912) 16.912 22.558 ( 0.000 -0.000 5.369) 5.369======================= Grid point 391 (148/156) =======================q-point: ( 0.52 -0.34 0.34)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 540Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.804 ( -0.835 9.408 -0.768) 9.476 2.861 ( 0.502 4.325 2.487) 5.014 3.484 ( 0.200 4.252 26.417) 26.758 5.662 ( -0.395 6.584 -8.371) 10.658 5.769 ( 0.411 -2.086 -7.799) 8.084 6.157 ( 0.568 0.697 11.246) 11.282 6.424 ( 1.819 4.443 0.177) 4.804 6.482 ( -1.969 -0.082 1.241) 2.329 6.768 ( -0.497 -6.336 -5.439) 8.365 7.280 ( -0.800 1.757 -0.666) 2.042 7.719 ( 0.337 4.791 -4.539) 6.609 7.902 ( -0.064 -1.213 2.827) 3.077 7.977 ( 0.855 -4.680 0.667) 4.804 8.638 ( -0.099 -0.902 6.420) 6.484 8.819 ( 1.321 -3.714 1.282) 4.145 8.890 ( -2.197 -7.641 -1.463) 8.084 8.972 ( 0.644 -11.522 3.715) 12.124 10.129 ( 1.860 14.986 12.475) 19.587 10.602 ( -5.086 -2.148 6.095) 8.224 10.873 ( 3.172 -16.622 10.938) 20.149 11.799 ( -0.052 0.374 -27.234) 27.236 11.881 ( -0.006 -7.043 1.518) 7.205 13.022 ( 2.906 3.214 -1.340) 4.535 13.042 ( -2.774 1.150 -0.122) 3.005 13.833 ( -0.034 2.114 2.019) 2.923 15.722 ( 0.194 2.838 25.933) 26.089 18.352 ( -1.535 28.674 -0.963) 28.731 18.771 ( 0.915 4.653 -1.383) 4.940 19.699 ( 0.288 -25.858 -9.170) 27.438 22.321 ( 0.145 -3.213 6.728) 7.457======================= Grid point 413 (149/156) =======================q-point: ( 0.36 -0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.559 ( -13.249 13.484 0.000) 18.903 2.636 ( 0.378 10.178 0.000) 10.185 2.764 ( 10.791 3.758 -0.000) 11.426 5.800 ( -0.660 1.603 0.000) 1.734 5.968 ( 2.059 15.680 0.000) 15.815 5.999 ( 0.548 -2.751 -0.000) 2.805 6.075 ( -0.143 -3.535 -0.000) 3.538 6.412 ( 1.118 5.007 0.000) 5.130 7.192 ( -3.775 -12.823 -0.000) 13.367 7.239 ( 0.089 4.095 0.000) 4.096 7.645 ( -0.994 10.408 0.000) 10.455 7.838 ( 4.273 -2.183 -0.000) 4.798 8.010 ( -5.319 -6.357 -0.000) 8.289 8.580 ( 2.932 -2.949 -0.000) 4.159 9.000 ( -0.078 -8.384 -0.000) 8.384 9.030 ( 4.067 -10.708 -0.000) 11.454 9.319 ( -3.107 -16.706 -0.000) 16.993 9.569 ( -0.117 7.203 0.000) 7.204 10.544 ( -8.530 -6.046 0.000) 10.455 10.984 ( 6.781 -16.859 -0.000) 18.171 12.004 ( -0.290 -10.149 -0.000) 10.153 12.370 ( -0.065 4.457 0.000) 4.458 12.982 ( 3.719 3.017 -0.000) 4.789 13.051 ( -0.928 1.033 0.000) 1.389 13.798 ( -1.476 -1.089 0.000) 1.834 15.039 ( 0.026 5.240 0.000) 5.240 17.677 ( -4.075 31.717 0.000) 31.977 18.628 ( 1.275 9.393 0.000) 9.479 20.473 ( 0.411 -24.730 -0.000) 24.733 22.239 ( 1.824 -4.418 -0.000) 4.780======================= Grid point 414 (150/156) =======================q-point: ( 0.36 -0.36 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.590 ( -9.357 13.718 0.000) 16.606 2.754 ( -3.746 3.507 0.000) 5.131 2.929 ( 1.902 -4.982 -0.000) 5.333 5.835 ( -1.087 1.883 0.000) 2.174 5.937 ( -0.214 -0.502 -0.000) 0.545 6.049 ( 3.336 -3.250 -0.000) 4.657 6.198 ( -10.823 8.062 0.000) 13.496 6.481 ( -2.570 3.347 0.000) 4.220 6.992 ( 7.509 -5.156 -0.000) 9.109 7.279 ( -2.825 2.752 0.000) 3.944 7.765 ( -3.567 0.816 0.000) 3.660 7.807 ( -6.587 7.592 0.000) 10.051 7.961 ( 6.667 -3.376 -0.000) 7.473 8.559 ( 3.373 -4.811 -0.000) 5.876 8.810 ( -0.181 -2.586 -0.000) 2.593 8.887 ( 5.468 -5.542 -0.000) 7.785 9.191 ( 15.698 -13.895 -0.000) 20.964 9.654 ( -10.548 9.774 0.000) 14.380 10.530 ( 10.810 0.856 -0.000) 10.844 10.760 ( 6.740 -16.702 -0.000) 18.011 11.882 ( 5.827 -5.675 -0.000) 8.134 12.417 ( -1.848 1.886 0.000) 2.640 12.943 ( -5.975 4.815 0.000) 7.674 13.121 ( 2.210 -2.464 -0.000) 3.309 13.787 ( 0.579 0.153 -0.000) 0.599 15.099 ( -3.019 3.004 0.000) 4.259 18.099 ( -20.488 23.962 0.000) 31.527 18.711 ( -7.442 5.791 0.000) 9.430 20.158 ( 20.039 -20.536 -0.000) 28.693 22.190 ( 2.374 -3.376 -0.000) 4.127======================= Grid point 421 (151/156) =======================q-point: ( 0.64 -0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 156Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.930 ( 0.000 -0.000 0.268) 0.268 2.930 ( 0.000 -0.000 0.268) 0.268 4.088 ( 0.000 -0.000 25.864) 25.864 5.557 ( -0.000 0.000 -10.115) 10.115 5.557 ( -0.000 0.000 -10.115) 10.115 6.467 ( 0.000 -0.000 16.903) 16.903 6.487 ( 0.000 -0.000 2.926) 2.926 6.487 ( 0.000 -0.000 2.926) 2.926 6.634 ( -0.000 0.000 -2.588) 2.588 7.230 ( -0.000 0.000 -4.259) 4.259 7.619 ( -0.000 0.000 -8.402) 8.402 7.965 ( 0.000 -0.000 2.733) 2.733 7.965 ( 0.000 -0.000 2.733) 2.733 8.800 ( 0.000 -0.000 0.028) 0.028 8.800 ( 0.000 -0.000 0.028) 0.028 8.843 ( 0.000 -0.000 12.095) 12.095 8.879 ( 0.000 -0.000 3.612) 3.612 10.726 ( 0.000 -0.000 6.804) 6.804 10.726 ( 0.000 -0.000 6.804) 6.804 10.810 ( 0.000 -0.000 20.827) 20.827 11.111 ( -0.000 0.000 -36.512) 36.512 11.861 ( 0.000 -0.000 3.153) 3.153 13.050 ( -0.000 0.000 -0.423) 0.423 13.050 ( -0.000 0.000 -0.423) 0.423 13.918 ( 0.000 -0.000 3.418) 3.418 16.366 ( 0.000 -0.000 31.594) 31.594 18.767 ( -0.000 0.000 -3.342) 3.342 18.767 ( -0.000 0.000 -3.342) 3.342 19.036 ( -0.000 0.000 -12.856) 12.856 22.428 ( 0.000 -0.000 6.943) 6.943======================= Grid point 451 (152/156) =======================q-point: ( 0.47 -0.38 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.798 ( -7.726 6.858 1.400) 10.425 2.824 ( 7.165 4.407 0.632) 8.436 3.002 ( 0.331 3.678 18.294) 18.663 5.818 ( 0.278 4.771 -5.757) 7.482 5.897 ( -0.856 -1.591 -3.920) 4.316 5.993 ( 0.844 -1.281 3.119) 3.475 6.372 ( 0.723 9.582 4.376) 10.559 6.499 ( -0.272 3.447 -1.543) 3.786 6.872 ( -0.899 -10.861 -4.220) 11.686 7.298 ( -0.375 2.760 -1.009) 2.962 7.801 ( -2.631 5.542 -3.275) 6.954 7.846 ( 5.838 -0.516 1.451) 6.038 7.954 ( -2.951 -1.416 2.350) 4.030 8.532 ( 0.099 -3.131 3.203) 4.480 8.809 ( 0.826 -4.492 -0.266) 4.575 8.897 ( 3.201 -8.404 3.111) 9.516 8.939 ( -3.832 -12.071 -2.413) 12.893 9.899 ( 1.110 12.660 9.012) 15.580 10.493 ( -5.470 -2.623 4.003) 7.268 10.696 ( 4.248 -15.659 6.000) 17.299 11.833 ( -0.035 -6.644 1.476) 6.806 12.267 ( -0.014 1.335 -15.883) 15.939 13.037 ( 1.829 1.905 -0.072) 2.642 13.052 ( -1.539 0.674 -0.729) 1.832 13.801 ( -0.138 0.705 1.282) 1.470 15.288 ( 0.057 2.732 14.907) 15.155 18.365 ( -1.378 31.039 -0.362) 31.072 18.791 ( 0.797 5.622 -0.627) 5.713 19.846 ( 0.243 -27.508 -4.894) 27.941 22.203 ( 0.227 -3.101 4.277) 5.288======================= Grid point 481 (153/156) =======================q-point: ( 0.59 -0.41 0.41)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 143Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.907 ( 0.000 -0.000 1.699) 1.699 2.907 ( 0.000 -0.000 1.699) 1.699 3.531 ( 0.000 -0.000 26.837) 26.837 5.745 ( -0.000 0.000 -7.808) 7.808 5.745 ( -0.000 0.000 -7.808) 7.808 6.163 ( 0.000 -0.000 12.215) 12.215 6.486 ( -0.000 0.000 -2.287) 2.287 6.486 ( -0.000 0.000 -2.287) 2.287 6.671 ( -0.000 0.000 -1.182) 1.182 7.301 ( -0.000 0.000 -2.441) 2.441 7.805 ( -0.000 0.000 -9.109) 9.109 7.897 ( 0.000 -0.000 3.382) 3.382 7.897 ( 0.000 -0.000 3.382) 3.382 8.627 ( 0.000 -0.000 8.635) 8.635 8.800 ( 0.000 -0.000 0.157) 0.157 8.800 ( 0.000 -0.000 0.157) 0.157 8.815 ( 0.000 -0.000 2.624) 2.624 10.405 ( 0.000 -0.000 17.863) 17.863 10.583 ( 0.000 -0.000 6.644) 6.644 10.583 ( 0.000 -0.000 6.644) 6.644 11.801 ( 0.000 -0.000 2.608) 2.608 11.802 ( -0.000 0.000 -29.269) 29.269 13.056 ( -0.000 0.000 -0.179) 0.179 13.056 ( -0.000 0.000 -0.179) 0.179 13.855 ( 0.000 -0.000 2.532) 2.532 15.755 ( 0.000 -0.000 26.511) 26.511 18.823 ( -0.000 0.000 -2.066) 2.066 18.823 ( -0.000 0.000 -2.066) 2.066 19.259 ( -0.000 0.000 -8.706) 8.706 22.284 ( 0.000 -0.000 6.688) 6.688======================= Grid point 511 (154/156) =======================q-point: ( 0.43 -0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.780 ( -6.536 6.991 0.000) 9.570 2.791 ( 0.067 4.551 0.000) 4.551 2.828 ( 6.214 2.302 -0.000) 6.626 5.850 ( -0.277 2.887 0.000) 2.901 5.952 ( 0.385 -1.612 -0.000) 1.657 5.998 ( -0.155 -3.590 -0.000) 3.594 6.306 ( 1.318 15.284 0.000) 15.341 6.516 ( -0.782 4.020 0.000) 4.096 6.920 ( -0.706 -12.573 -0.000) 12.593 7.311 ( 0.026 2.454 0.000) 2.454 7.819 ( 3.221 0.267 -0.000) 3.232 7.881 ( -3.310 -4.765 -0.000) 5.802 7.892 ( -0.377 11.612 0.000) 11.618 8.502 ( 0.362 -4.048 -0.000) 4.064 8.825 ( 0.037 -6.577 -0.000) 6.577 8.848 ( 2.468 -6.042 -0.000) 6.526 8.972 ( -2.110 -14.675 -0.000) 14.825 9.797 ( 0.654 12.247 0.000) 12.265 10.450 ( -5.299 -2.670 0.000) 5.934 10.633 ( 4.418 -15.148 -0.000) 15.779 11.818 ( -0.037 -6.671 -0.000) 6.671 12.436 ( -0.010 1.882 0.000) 1.882 13.037 ( 0.939 1.930 0.000) 2.146 13.060 ( -0.577 -0.013 0.000) 0.578 13.784 ( -0.186 -0.348 -0.000) 0.394 15.133 ( 0.004 3.204 0.000) 3.204 18.368 ( -1.330 31.811 0.000) 31.838 18.797 ( 0.755 5.956 0.000) 6.004 19.897 ( 0.222 -28.149 -0.000) 28.150 22.157 ( 0.265 -3.032 -0.000) 3.044======================= Grid point 540 (155/156) =======================q-point: ( 0.55 -0.45 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 156Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.872 ( 0.000 -0.000 1.495) 1.495 2.872 ( 0.000 -0.000 1.495) 1.495 3.043 ( 0.000 -0.000 18.546) 18.546 5.878 ( -0.000 0.000 -4.967) 4.967 5.878 ( -0.000 0.000 -4.967) 4.967 5.971 ( 0.000 -0.000 6.216) 6.216 6.541 ( -0.000 0.000 -2.145) 2.145 6.541 ( -0.000 0.000 -2.145) 2.145 6.688 ( -0.000 0.000 -0.548) 0.548 7.332 ( -0.000 0.000 -0.722) 0.722 7.843 ( 0.000 -0.000 1.609) 1.609 7.843 ( 0.000 -0.000 1.609) 1.609 7.975 ( -0.000 0.000 -6.671) 6.671 8.492 ( 0.000 -0.000 4.325) 4.325 8.770 ( 0.000 -0.000 1.624) 1.624 8.791 ( 0.000 -0.000 0.672) 0.672 8.791 ( 0.000 -0.000 0.672) 0.672 10.098 ( 0.000 -0.000 11.052) 11.052 10.468 ( 0.000 -0.000 4.143) 4.143 10.468 ( 0.000 -0.000 4.143) 4.143 11.758 ( 0.000 -0.000 1.479) 1.479 12.281 ( -0.000 0.000 -16.396) 16.396 13.058 ( -0.000 0.000 -0.065) 0.065 13.058 ( -0.000 0.000 -0.065) 0.065 13.808 ( 0.000 -0.000 2.121) 2.121 15.319 ( 0.000 -0.000 14.642) 14.642 18.854 ( -0.000 0.000 -0.988) 0.988 18.854 ( -0.000 0.000 -0.988) 0.988 19.395 ( -0.000 0.000 -4.419) 4.419 22.167 ( 0.000 -0.000 4.213) 4.213======================= Grid point 599 (156/156) =======================q-point: (-0.50 0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 Number of triplets: 78Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.839 ( 0.000 -0.000 0.000) 0.000 2.855 ( 0.000 -0.000 -0.000) 0.000 2.855 ( 0.000 0.000 0.000) 0.000 5.907 ( 0.000 0.000 0.000) 0.000 5.934 ( 0.000 0.000 0.000) 0.000 5.934 ( 0.000 0.000 0.000) 0.000 6.562 ( 0.000 0.000 -0.000) 0.000 6.562 ( 0.000 -0.000 0.000) 0.000 6.694 ( 0.000 0.000 -0.000) 0.000 7.338 ( 0.000 0.000 0.000) 0.000 7.828 ( 0.000 0.000 -0.000) 0.000 7.828 ( -0.000 0.000 -0.000) 0.000 8.049 ( 0.000 -0.000 0.000) 0.000 8.448 ( 0.000 0.000 -0.000) 0.000 8.752 ( 0.000 0.000 0.000) 0.000 8.782 ( 0.000 0.000 0.000) 0.000 8.782 ( 0.000 -0.000 0.000) 0.000 9.979 ( 0.000 0.000 -0.000) 0.000 10.423 ( 0.000 0.000 -0.000) 0.000 10.423 ( 0.000 -0.000 -0.000) 0.000 11.742 ( 0.000 0.000 0.000) 0.000 12.455 ( 0.000 0.000 0.000) 0.000 13.059 ( 0.000 0.000 -0.000) 0.000 13.059 ( 0.000 0.000 -0.000) 0.000 13.781 ( 0.000 0.000 0.000) 0.000 15.168 ( 0.000 0.000 0.000) 0.000 18.864 ( 0.000 0.000 0.000) 0.000 18.864 ( 0.000 0.000 -0.000) 0.000 19.440 ( 0.000 0.000 -0.000) 0.000 22.122 ( 0.000 0.000 -0.000) 0.000=================== End of collection of collisions ===================----------- Thermal conductivity (W/m-k) with tetrahedron method -----------# T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/32340 10.0 522.721 522.721 448.464 -0.000 0.000 0.000 3/32340 20.0 126.454 126.454 223.045 -0.000 0.000 0.000 3/32340 30.0 78.523 78.523 113.788 -0.000 0.000 0.000 3/32340 40.0 49.763 49.763 57.624 -0.000 0.000 0.000 3/32340 50.0 31.706 31.706 33.918 -0.000 0.000 0.000 3/32340 60.0 21.145 21.145 22.531 -0.000 0.000 0.000 3/32340 70.0 14.971 14.971 16.252 -0.000 0.000 0.000 3/32340 80.0 11.211 11.211 12.447 -0.000 0.000 0.000 3/32340 90.0 8.800 8.800 9.976 -0.000 0.000 0.000 3/32340 100.0 7.175 7.175 8.280 -0.000 0.000 0.000 3/32340 110.0 6.032 6.032 7.063 -0.000 0.000 0.000 3/32340 120.0 5.197 5.197 6.157 -0.000 0.000 0.000 3/32340 130.0 4.567 4.567 5.462 -0.000 0.000 0.000 3/32340 140.0 4.078 4.078 4.916 -0.000 0.000 0.000 3/32340 150.0 3.689 3.689 4.476 -0.000 0.000 0.000 3/32340 160.0 3.374 3.374 4.116 -0.000 0.000 0.000 3/32340 170.0 3.114 3.114 3.815 -0.000 0.000 0.000 3/32340 180.0 2.895 2.895 3.562 -0.000 0.000 0.000 3/32340 190.0 2.709 2.709 3.344 -0.000 0.000 0.000 3/32340 200.0 2.549 2.549 3.155 -0.000 0.000 0.000 3/32340 210.0 2.409 2.409 2.990 -0.000 0.000 0.000 3/32340 220.0 2.286 2.286 2.844 -0.000 0.000 0.000 3/32340 230.0 2.176 2.176 2.713 -0.000 0.000 0.000 3/32340 240.0 2.078 2.078 2.596 -0.000 0.000 0.000 3/32340 250.0 1.990 1.990 2.490 -0.000 0.000 0.000 3/32340 260.0 1.910 1.910 2.393 -0.000 0.000 0.000 3/32340 270.0 1.836 1.836 2.305 -0.000 0.000 0.000 3/32340 280.0 1.769 1.769 2.223 -0.000 0.000 0.000 3/32340 290.0 1.707 1.707 2.148 -0.000 0.000 0.000 3/32340 300.0 1.650 1.650 2.078 -0.000 0.000 0.000 3/32340 310.0 1.597 1.597 2.013 -0.000 0.000 0.000 3/32340 320.0 1.547 1.547 1.952 -0.000 0.000 0.000 3/32340 330.0 1.500 1.500 1.896 -0.000 0.000 0.000 3/32340 340.0 1.457 1.457 1.842 -0.000 0.000 0.000 3/32340 350.0 1.416 1.416 1.792 -0.000 0.000 0.000 3/32340 360.0 1.377 1.377 1.744 -0.000 0.000 0.000 3/32340 370.0 1.341 1.341 1.699 -0.000 0.000 0.000 3/32340 380.0 1.307 1.307 1.657 -0.000 0.000 0.000 3/32340 390.0 1.274 1.274 1.616 -0.000 0.000 0.000 3/32340 400.0 1.243 1.243 1.578 -0.000 0.000 0.000 3/32340 410.0 1.213 1.213 1.541 -0.000 0.000 0.000 3/32340 420.0 1.185 1.185 1.506 -0.000 0.000 0.000 3/32340 430.0 1.159 1.159 1.473 -0.000 0.000 0.000 3/32340 440.0 1.133 1.133 1.441 -0.000 0.000 0.000 3/32340 450.0 1.109 1.109 1.411 -0.000 0.000 0.000 3/32340 460.0 1.085 1.085 1.381 -0.000 0.000 0.000 3/32340 470.0 1.063 1.063 1.353 -0.000 0.000 0.000 3/32340 480.0 1.041 1.041 1.327 -0.000 0.000 0.000 3/32340 490.0 1.021 1.021 1.301 -0.000 0.000 0.000 3/32340 500.0 1.001 1.001 1.276 -0.000 0.000 0.000 3/32340 510.0 0.982 0.982 1.252 -0.000 0.000 0.000 3/32340 520.0 0.963 0.963 1.229 -0.000 0.000 0.000 3/32340 530.0 0.946 0.946 1.207 -0.000 0.000 0.000 3/32340 540.0 0.929 0.929 1.185 -0.000 0.000 0.000 3/32340 550.0 0.912 0.912 1.165 -0.000 0.000 0.000 3/32340 560.0 0.897 0.897 1.145 -0.000 0.000 0.000 3/32340 570.0 0.881 0.881 1.126 -0.000 0.000 0.000 3/32340 580.0 0.866 0.866 1.107 -0.000 0.000 0.000 3/32340 590.0 0.852 0.852 1.089 -0.000 0.000 0.000 3/32340 600.0 0.838 0.838 1.071 -0.000 0.000 0.000 3/32340 610.0 0.825 0.825 1.054 -0.000 0.000 0.000 3/32340 620.0 0.812 0.812 1.038 -0.000 0.000 0.000 3/32340 630.0 0.799 0.799 1.022 -0.000 0.000 0.000 3/32340 640.0 0.787 0.787 1.007 -0.000 0.000 0.000 3/32340 650.0 0.775 0.775 0.992 -0.000 0.000 0.000 3/32340 660.0 0.764 0.764 0.977 -0.000 0.000 0.000 3/32340 670.0 0.753 0.753 0.963 -0.000 0.000 0.000 3/32340 680.0 0.742 0.742 0.949 -0.000 0.000 0.000 3/32340 690.0 0.732 0.732 0.936 -0.000 0.000 0.000 3/32340 700.0 0.721 0.721 0.923 -0.000 0.000 0.000 3/32340 710.0 0.711 0.711 0.911 -0.000 0.000 0.000 3/32340 720.0 0.702 0.702 0.898 -0.000 0.000 0.000 3/32340 730.0 0.692 0.692 0.886 -0.000 0.000 0.000 3/32340 740.0 0.683 0.683 0.875 -0.000 0.000 0.000 3/32340 750.0 0.674 0.674 0.863 -0.000 0.000 0.000 3/32340 760.0 0.666 0.666 0.852 -0.000 0.000 0.000 3/32340 770.0 0.657 0.657 0.842 -0.000 0.000 0.000 3/32340 780.0 0.649 0.649 0.831 -0.000 0.000 0.000 3/32340 790.0 0.641 0.641 0.821 -0.000 0.000 0.000 3/32340 800.0 0.633 0.633 0.811 -0.000 0.000 0.000 3/32340 810.0 0.625 0.625 0.801 -0.000 0.000 0.000 3/32340 820.0 0.618 0.618 0.791 -0.000 0.000 0.000 3/32340 830.0 0.610 0.610 0.782 -0.000 0.000 0.000 3/32340 840.0 0.603 0.603 0.773 -0.000 0.000 0.000 3/32340 850.0 0.596 0.596 0.764 -0.000 0.000 0.000 3/32340 860.0 0.589 0.589 0.756 -0.000 0.000 0.000 3/32340 870.0 0.583 0.583 0.747 -0.000 0.000 0.000 3/32340 880.0 0.576 0.576 0.739 -0.000 0.000 0.000 3/32340 890.0 0.570 0.570 0.731 -0.000 0.000 0.000 3/32340 900.0 0.564 0.564 0.723 -0.000 0.000 0.000 3/32340 910.0 0.558 0.558 0.715 -0.000 0.000 0.000 3/32340 920.0 0.552 0.552 0.707 -0.000 0.000 0.000 3/32340 930.0 0.546 0.546 0.700 -0.000 0.000 0.000 3/32340 940.0 0.540 0.540 0.693 -0.000 0.000 0.000 3/32340 950.0 0.534 0.534 0.685 -0.000 0.000 0.000 3/32340 960.0 0.529 0.529 0.678 -0.000 0.000 0.000 3/32340 970.0 0.524 0.524 0.671 -0.000 0.000 0.000 3/32340 980.0 0.518 0.518 0.665 -0.000 0.000 0.000 3/32340 990.0 0.513 0.513 0.658 -0.000 0.000 0.000 3/32340 1000.0 0.508 0.508 0.652 -0.000 0.000 0.000 3/32340Thermal conductivity related properties were written into "kappa-m17154.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 22:33:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|