# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/692e5367-36ed-4a32-8ec4-2d99b3cf8def/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 Y2SO2 / P-3m1 (164) / materials id 12894](https://mdr.nims.go.jp/datasets/fc09f17e-73f5-434a-bbcb-17197b032df6) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 00:10:33]-------------------------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: [3 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P-3m1 (164)Number of symmetry operations in supercell: 216------------------------------ primitive cell ------------------------------Lattice vectors: a 3.761218230327404 0.000000000000000 0.000000000000000 b -1.880609115163702 3.257310536640682 0.000000000000000 c 0.000000000000000 0.000000000000000 6.533908940000000Atomic positions (fractional): *1 O 0.33333333333333 0.66666666666667 0.37012730871786 15.999 2 O 0.66666666666667 0.33333333333333 0.62987269128214 15.999 *3 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 *4 Y 0.66666666666667 0.33333333333333 0.28220015200911 88.906 5 Y 0.33333333333333 0.66666666666667 0.71779984799089 88.906-------------------------------- unit cell ---------------------------------Lattice vectors: a 3.761218230327404 0.000000000000000 0.000000000000000 b -1.880609115163702 3.257310536640682 0.000000000000000 c 0.000000000000000 0.000000000000000 6.533908940000000Atomic positions (fractional): *1 O 0.33333333333333 0.66666666666667 0.37012730871786 15.999 > 1 2 O 0.66666666666667 0.33333333333333 0.62987269128214 15.999 > 2 *3 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 > 3 *4 Y 0.66666666666667 0.33333333333333 0.28220015200911 88.906 > 4 5 Y 0.33333333333333 0.66666666666667 0.71779984799089 88.906 > 5-------------------------------- super cell --------------------------------Lattice vectors: a 11.283654690982212 0.000000000000000 0.000000000000000 b -5.641827345491106 9.771931609922046 0.000000000000000 c 0.000000000000000 0.000000000000000 13.067817880000000Atomic positions (fractional): *1 O 0.11111111111111 0.22222222222222 0.18506365435893 15.999 > 1 2 O 0.44444444444444 0.22222222222222 0.18506365435893 15.999 > 1 3 O 0.77777777777778 0.22222222222222 0.18506365435893 15.999 > 1 4 O 0.11111111111111 0.55555555555556 0.18506365435893 15.999 > 1 5 O 0.44444444444444 0.55555555555556 0.18506365435893 15.999 > 1 6 O 0.77777777777778 0.55555555555556 0.18506365435893 15.999 > 1 7 O 0.11111111111111 0.88888888888889 0.18506365435893 15.999 > 1 8 O 0.44444444444444 0.88888888888889 0.18506365435893 15.999 > 1 9 O 0.77777777777778 0.88888888888889 0.18506365435893 15.999 > 1 10 O 0.11111111111111 0.22222222222222 0.68506365435893 15.999 > 1 11 O 0.44444444444444 0.22222222222222 0.68506365435893 15.999 > 1 12 O 0.77777777777778 0.22222222222222 0.68506365435893 15.999 > 1 13 O 0.11111111111111 0.55555555555556 0.68506365435893 15.999 > 1 14 O 0.44444444444444 0.55555555555556 0.68506365435893 15.999 > 1 15 O 0.77777777777778 0.55555555555556 0.68506365435893 15.999 > 1 16 O 0.11111111111111 0.88888888888889 0.68506365435893 15.999 > 1 17 O 0.44444444444444 0.88888888888889 0.68506365435893 15.999 > 1 18 O 0.77777777777778 0.88888888888889 0.68506365435893 15.999 > 1 19 O 0.22222222222222 0.11111111111111 0.31493634564107 15.999 > 2 20 O 0.55555555555556 0.11111111111111 0.31493634564107 15.999 > 2 21 O 0.88888888888889 0.11111111111111 0.31493634564107 15.999 > 2 22 O 0.22222222222222 0.44444444444444 0.31493634564107 15.999 > 2 23 O 0.55555555555556 0.44444444444444 0.31493634564107 15.999 > 2 24 O 0.88888888888889 0.44444444444444 0.31493634564107 15.999 > 2 25 O 0.22222222222222 0.77777777777778 0.31493634564107 15.999 > 2 26 O 0.55555555555556 0.77777777777778 0.31493634564107 15.999 > 2 27 O 0.88888888888889 0.77777777777778 0.31493634564107 15.999 > 2 28 O 0.22222222222222 0.11111111111111 0.81493634564107 15.999 > 2 29 O 0.55555555555556 0.11111111111111 0.81493634564107 15.999 > 2 30 O 0.88888888888889 0.11111111111111 0.81493634564107 15.999 > 2 31 O 0.22222222222222 0.44444444444444 0.81493634564107 15.999 > 2 32 O 0.55555555555556 0.44444444444444 0.81493634564107 15.999 > 2 33 O 0.88888888888889 0.44444444444444 0.81493634564107 15.999 > 2 34 O 0.22222222222222 0.77777777777778 0.81493634564107 15.999 > 2 35 O 0.55555555555556 0.77777777777778 0.81493634564107 15.999 > 2 36 O 0.88888888888889 0.77777777777778 0.81493634564107 15.999 > 2 *37 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 > 3 38 S 0.33333333333333 0.00000000000000 0.00000000000000 32.065 > 3 39 S 0.66666666666667 0.00000000000000 0.00000000000000 32.065 > 3 40 S 0.00000000000000 0.33333333333333 0.00000000000000 32.065 > 3 41 S 0.33333333333333 0.33333333333333 0.00000000000000 32.065 > 3 42 S 0.66666666666667 0.33333333333333 0.00000000000000 32.065 > 3 43 S 0.00000000000000 0.66666666666667 0.00000000000000 32.065 > 3 44 S 0.33333333333333 0.66666666666667 0.00000000000000 32.065 > 3 45 S 0.66666666666667 0.66666666666667 0.00000000000000 32.065 > 3 46 S 0.00000000000000 0.00000000000000 0.50000000000000 32.065 > 3 47 S 0.33333333333333 0.00000000000000 0.50000000000000 32.065 > 3 48 S 0.66666666666667 0.00000000000000 0.50000000000000 32.065 > 3 49 S 0.00000000000000 0.33333333333333 0.50000000000000 32.065 > 3 50 S 0.33333333333333 0.33333333333333 0.50000000000000 32.065 > 3 51 S 0.66666666666667 0.33333333333333 0.50000000000000 32.065 > 3 52 S 0.00000000000000 0.66666666666667 0.50000000000000 32.065 > 3 53 S 0.33333333333333 0.66666666666667 0.50000000000000 32.065 > 3 54 S 0.66666666666667 0.66666666666667 0.50000000000000 32.065 > 3 *55 Y 0.22222222222222 0.11111111111111 0.14110007600455 88.906 > 4 56 Y 0.55555555555556 0.11111111111111 0.14110007600455 88.906 > 4 57 Y 0.88888888888889 0.11111111111111 0.14110007600455 88.906 > 4 58 Y 0.22222222222222 0.44444444444444 0.14110007600455 88.906 > 4 59 Y 0.55555555555556 0.44444444444444 0.14110007600455 88.906 > 4 60 Y 0.88888888888889 0.44444444444444 0.14110007600455 88.906 > 4 61 Y 0.22222222222222 0.77777777777778 0.14110007600455 88.906 > 4 62 Y 0.55555555555556 0.77777777777778 0.14110007600455 88.906 > 4 63 Y 0.88888888888889 0.77777777777778 0.14110007600455 88.906 > 4 64 Y 0.22222222222222 0.11111111111111 0.64110007600455 88.906 > 4 65 Y 0.55555555555556 0.11111111111111 0.64110007600455 88.906 > 4 66 Y 0.88888888888889 0.11111111111111 0.64110007600455 88.906 > 4 67 Y 0.22222222222222 0.44444444444444 0.64110007600455 88.906 > 4 68 Y 0.55555555555556 0.44444444444444 0.64110007600455 88.906 > 4 69 Y 0.88888888888889 0.44444444444444 0.64110007600455 88.906 > 4 70 Y 0.22222222222222 0.77777777777778 0.64110007600455 88.906 > 4 71 Y 0.55555555555556 0.77777777777778 0.64110007600455 88.906 > 4 72 Y 0.88888888888889 0.77777777777778 0.64110007600455 88.906 > 4 73 Y 0.11111111111111 0.22222222222222 0.35889992399545 88.906 > 5 74 Y 0.44444444444444 0.22222222222222 0.35889992399545 88.906 > 5 75 Y 0.77777777777778 0.22222222222222 0.35889992399545 88.906 > 5 76 Y 0.11111111111111 0.55555555555556 0.35889992399545 88.906 > 5 77 Y 0.44444444444444 0.55555555555556 0.35889992399545 88.906 > 5 78 Y 0.77777777777778 0.55555555555556 0.35889992399545 88.906 > 5 79 Y 0.11111111111111 0.88888888888889 0.35889992399545 88.906 > 5 80 Y 0.44444444444444 0.88888888888889 0.35889992399545 88.906 > 5 81 Y 0.77777777777778 0.88888888888889 0.35889992399545 88.906 > 5 82 Y 0.11111111111111 0.22222222222222 0.85889992399545 88.906 > 5 83 Y 0.44444444444444 0.22222222222222 0.85889992399545 88.906 > 5 84 Y 0.77777777777778 0.22222222222222 0.85889992399545 88.906 > 5 85 Y 0.11111111111111 0.55555555555556 0.85889992399545 88.906 > 5 86 Y 0.44444444444444 0.55555555555556 0.85889992399545 88.906 > 5 87 Y 0.77777777777778 0.55555555555556 0.85889992399545 88.906 > 5 88 Y 0.11111111111111 0.88888888888889 0.85889992399545 88.906 > 5 89 Y 0.44444444444444 0.88888888888889 0.85889992399545 88.906 > 5 90 Y 0.77777777777778 0.88888888888889 0.85889992399545 88.906 > 5----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.2871655 0.0000000 0.0000000 0.0000000 5.2871655 0.0000000 0.0000000 0.0000000 5.1595556-------------------------- Born effective charges -------------------------- 1 O -2.6417611 0.0000000 0.0000000 0.0000000 -2.6417611 0.0000000 0.0000000 0.0000000 -2.6969116 2 O -2.6417611 0.0000000 0.0000000 0.0000000 -2.6417611 0.0000000 0.0000000 0.0000000 -2.6969116 3 S -2.1667536 0.0000000 0.0000000 0.0000000 -2.1667536 0.0000000 0.0000000 0.0000000 -2.2442459 4 Y 3.7251379 0.0000000 0.0000000 0.0000000 3.7251379 0.0000000 0.0000000 0.0000000 3.8190345 5 Y 3.7251379 0.0000000 0.0000000 0.0000000 3.7251379 0.0000000 0.0000000 0.0000000 3.8190345----------------------------------------------------------------------------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: 270/270Permutation basis: 2400/2400Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 224Number of blocks in projector: 170Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 102Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 66Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 56Use standard eigh solver.Tree of FC basis block matrices:- (224, 218), data: False|-- (56, 53), data: True|-- (66, 66), data: True|-- (102, 99), data: True-----Solver_atoms: 1 -- 90 / 90Time (Solver_compr_matrix_reshape): 0.005Solver_block: 80 / 80 - Time: 0.097Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.104--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 270/270Permutation basis: 2400/2400Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 224Number of blocks in projector: 170Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 102Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 66Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 56Use standard eigh solver.Tree of FC basis block matrices:- (224, 218), data: False|-- (56, 53), data: True|-- (66, 66), data: True|-- (102, 99), data: TrueMax drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 00:10:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 00:10:37]-------------------------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): [3 3 2]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P-3m1 (164)------------------------------ primitive cell ------------------------------Lattice vectors: a 3.761218230327404 0.000000000000000 0.000000000000000 b -1.880609115163702 3.257310536640682 0.000000000000000 c 0.000000000000000 0.000000000000000 6.533908940000000Atomic positions (fractional): 1 O 0.33333333333333 0.66666666666667 0.37012730871786 15.999 2 O 0.66666666666667 0.33333333333333 0.62987269128214 15.999 3 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 4 Y 0.66666666666667 0.33333333333333 0.28220015200911 88.906 5 Y 0.33333333333333 0.66666666666667 0.71779984799089 88.906-------------------------------- supercell ---------------------------------Lattice vectors: a 11.283654690982212 0.000000000000000 0.000000000000000 b -5.641827345491106 9.771931609922046 0.000000000000000 c 0.000000000000000 0.000000000000000 13.067817880000000Atomic positions (fractional): 1 O 0.11111111111111 0.22222222222222 0.18506365435893 15.999 > 1 2 O 0.44444444444444 0.22222222222222 0.18506365435893 15.999 > 1 3 O 0.77777777777778 0.22222222222222 0.18506365435893 15.999 > 1 4 O 0.11111111111111 0.55555555555556 0.18506365435893 15.999 > 1 5 O 0.44444444444444 0.55555555555556 0.18506365435893 15.999 > 1 6 O 0.77777777777778 0.55555555555556 0.18506365435893 15.999 > 1 7 O 0.11111111111111 0.88888888888889 0.18506365435893 15.999 > 1 8 O 0.44444444444444 0.88888888888889 0.18506365435893 15.999 > 1 9 O 0.77777777777778 0.88888888888889 0.18506365435893 15.999 > 1 10 O 0.11111111111111 0.22222222222222 0.68506365435893 15.999 > 1 11 O 0.44444444444444 0.22222222222222 0.68506365435893 15.999 > 1 12 O 0.77777777777778 0.22222222222222 0.68506365435893 15.999 > 1 13 O 0.11111111111111 0.55555555555556 0.68506365435893 15.999 > 1 14 O 0.44444444444444 0.55555555555556 0.68506365435893 15.999 > 1 15 O 0.77777777777778 0.55555555555556 0.68506365435893 15.999 > 1 16 O 0.11111111111111 0.88888888888889 0.68506365435893 15.999 > 1 17 O 0.44444444444444 0.88888888888889 0.68506365435893 15.999 > 1 18 O 0.77777777777778 0.88888888888889 0.68506365435893 15.999 > 1 19 O 0.22222222222222 0.11111111111111 0.31493634564107 15.999 > 19 20 O 0.55555555555556 0.11111111111111 0.31493634564107 15.999 > 19 21 O 0.88888888888889 0.11111111111111 0.31493634564107 15.999 > 19 22 O 0.22222222222222 0.44444444444444 0.31493634564107 15.999 > 19 23 O 0.55555555555556 0.44444444444444 0.31493634564107 15.999 > 19 24 O 0.88888888888889 0.44444444444444 0.31493634564107 15.999 > 19 25 O 0.22222222222222 0.77777777777778 0.31493634564107 15.999 > 19 26 O 0.55555555555556 0.77777777777778 0.31493634564107 15.999 > 19 27 O 0.88888888888889 0.77777777777778 0.31493634564107 15.999 > 19 28 O 0.22222222222222 0.11111111111111 0.81493634564107 15.999 > 19 29 O 0.55555555555556 0.11111111111111 0.81493634564107 15.999 > 19 30 O 0.88888888888889 0.11111111111111 0.81493634564107 15.999 > 19 31 O 0.22222222222222 0.44444444444444 0.81493634564107 15.999 > 19 32 O 0.55555555555556 0.44444444444444 0.81493634564107 15.999 > 19 33 O 0.88888888888889 0.44444444444444 0.81493634564107 15.999 > 19 34 O 0.22222222222222 0.77777777777778 0.81493634564107 15.999 > 19 35 O 0.55555555555556 0.77777777777778 0.81493634564107 15.999 > 19 36 O 0.88888888888889 0.77777777777778 0.81493634564107 15.999 > 19 37 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 > 37 38 S 0.33333333333333 0.00000000000000 0.00000000000000 32.065 > 37 39 S 0.66666666666667 0.00000000000000 0.00000000000000 32.065 > 37 40 S 0.00000000000000 0.33333333333333 0.00000000000000 32.065 > 37 41 S 0.33333333333333 0.33333333333333 0.00000000000000 32.065 > 37 42 S 0.66666666666667 0.33333333333333 0.00000000000000 32.065 > 37 43 S 0.00000000000000 0.66666666666667 0.00000000000000 32.065 > 37 44 S 0.33333333333333 0.66666666666667 0.00000000000000 32.065 > 37 45 S 0.66666666666667 0.66666666666667 0.00000000000000 32.065 > 37 46 S 0.00000000000000 0.00000000000000 0.50000000000000 32.065 > 37 47 S 0.33333333333333 0.00000000000000 0.50000000000000 32.065 > 37 48 S 0.66666666666667 0.00000000000000 0.50000000000000 32.065 > 37 49 S 0.00000000000000 0.33333333333333 0.50000000000000 32.065 > 37 50 S 0.33333333333333 0.33333333333333 0.50000000000000 32.065 > 37 51 S 0.66666666666667 0.33333333333333 0.50000000000000 32.065 > 37 52 S 0.00000000000000 0.66666666666667 0.50000000000000 32.065 > 37 53 S 0.33333333333333 0.66666666666667 0.50000000000000 32.065 > 37 54 S 0.66666666666667 0.66666666666667 0.50000000000000 32.065 > 37 55 Y 0.22222222222222 0.11111111111111 0.14110007600455 88.906 > 55 56 Y 0.55555555555556 0.11111111111111 0.14110007600455 88.906 > 55 57 Y 0.88888888888889 0.11111111111111 0.14110007600455 88.906 > 55 58 Y 0.22222222222222 0.44444444444444 0.14110007600455 88.906 > 55 59 Y 0.55555555555556 0.44444444444444 0.14110007600455 88.906 > 55 60 Y 0.88888888888889 0.44444444444444 0.14110007600455 88.906 > 55 61 Y 0.22222222222222 0.77777777777778 0.14110007600455 88.906 > 55 62 Y 0.55555555555556 0.77777777777778 0.14110007600455 88.906 > 55 63 Y 0.88888888888889 0.77777777777778 0.14110007600455 88.906 > 55 64 Y 0.22222222222222 0.11111111111111 0.64110007600455 88.906 > 55 65 Y 0.55555555555556 0.11111111111111 0.64110007600455 88.906 > 55 66 Y 0.88888888888889 0.11111111111111 0.64110007600455 88.906 > 55 67 Y 0.22222222222222 0.44444444444444 0.64110007600455 88.906 > 55 68 Y 0.55555555555556 0.44444444444444 0.64110007600455 88.906 > 55 69 Y 0.88888888888889 0.44444444444444 0.64110007600455 88.906 > 55 70 Y 0.22222222222222 0.77777777777778 0.64110007600455 88.906 > 55 71 Y 0.55555555555556 0.77777777777778 0.64110007600455 88.906 > 55 72 Y 0.88888888888889 0.77777777777778 0.64110007600455 88.906 > 55 73 Y 0.11111111111111 0.22222222222222 0.35889992399545 88.906 > 73 74 Y 0.44444444444444 0.22222222222222 0.35889992399545 88.906 > 73 75 Y 0.77777777777778 0.22222222222222 0.35889992399545 88.906 > 73 76 Y 0.11111111111111 0.55555555555556 0.35889992399545 88.906 > 73 77 Y 0.44444444444444 0.55555555555556 0.35889992399545 88.906 > 73 78 Y 0.77777777777778 0.55555555555556 0.35889992399545 88.906 > 73 79 Y 0.11111111111111 0.88888888888889 0.35889992399545 88.906 > 73 80 Y 0.44444444444444 0.88888888888889 0.35889992399545 88.906 > 73 81 Y 0.77777777777778 0.88888888888889 0.35889992399545 88.906 > 73 82 Y 0.11111111111111 0.22222222222222 0.85889992399545 88.906 > 73 83 Y 0.44444444444444 0.22222222222222 0.85889992399545 88.906 > 73 84 Y 0.77777777777778 0.22222222222222 0.85889992399545 88.906 > 73 85 Y 0.11111111111111 0.55555555555556 0.85889992399545 88.906 > 73 86 Y 0.44444444444444 0.55555555555556 0.85889992399545 88.906 > 73 87 Y 0.77777777777778 0.55555555555556 0.85889992399545 88.906 > 73 88 Y 0.11111111111111 0.88888888888889 0.85889992399545 88.906 > 73 89 Y 0.44444444444444 0.88888888888889 0.85889992399545 88.906 > 73 90 Y 0.77777777777778 0.88888888888889 0.85889992399545 88.906 > 73----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.2871655 0.0000000 0.0000000 0.0000000 5.2871655 0.0000000 0.0000000 0.0000000 5.1595556-------------------------- Born effective charges -------------------------- 1 O -2.6417611 0.0000000 0.0000000 0.0000000 -2.6417611 0.0000000 0.0000000 0.0000000 -2.6969116 2 O -2.6417611 0.0000000 0.0000000 0.0000000 -2.6417611 0.0000000 0.0000000 0.0000000 -2.6969116 3 S -2.1667536 0.0000000 0.0000000 0.0000000 -2.1667536 0.0000000 0.0000000 0.0000000 -2.2442459 4 Y 3.7251379 0.0000000 0.0000000 0.0000000 3.7251379 0.0000000 0.0000000 0.0000000 3.8190345 5 Y 3.7251379 0.0000000 0.0000000 0.0000000 3.7251379 0.0000000 0.0000000 0.0000000 3.8190345----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 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]Computing fc3[ 55, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 00:10:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 00:10:41]-------------------------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): [3 3 2]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P-3m1 (164)------------------------------ primitive cell ------------------------------Lattice vectors: a 3.761218230327404 0.000000000000000 0.000000000000000 b -1.880609115163702 3.257310536640682 0.000000000000000 c 0.000000000000000 0.000000000000000 6.533908940000000Atomic positions (fractional): 1 O 0.33333333333333 0.66666666666667 0.37012730871786 15.999 2 O 0.66666666666667 0.33333333333333 0.62987269128214 15.999 3 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 4 Y 0.66666666666667 0.33333333333333 0.28220015200911 88.906 5 Y 0.33333333333333 0.66666666666667 0.71779984799089 88.906-------------------------------- supercell ---------------------------------Lattice vectors: a 11.283654690982212 0.000000000000000 0.000000000000000 b -5.641827345491106 9.771931609922046 0.000000000000000 c 0.000000000000000 0.000000000000000 13.067817880000000Atomic positions (fractional): 1 O 0.11111111111111 0.22222222222222 0.18506365435893 15.999 > 1 2 O 0.44444444444444 0.22222222222222 0.18506365435893 15.999 > 1 3 O 0.77777777777778 0.22222222222222 0.18506365435893 15.999 > 1 4 O 0.11111111111111 0.55555555555556 0.18506365435893 15.999 > 1 5 O 0.44444444444444 0.55555555555556 0.18506365435893 15.999 > 1 6 O 0.77777777777778 0.55555555555556 0.18506365435893 15.999 > 1 7 O 0.11111111111111 0.88888888888889 0.18506365435893 15.999 > 1 8 O 0.44444444444444 0.88888888888889 0.18506365435893 15.999 > 1 9 O 0.77777777777778 0.88888888888889 0.18506365435893 15.999 > 1 10 O 0.11111111111111 0.22222222222222 0.68506365435893 15.999 > 1 11 O 0.44444444444444 0.22222222222222 0.68506365435893 15.999 > 1 12 O 0.77777777777778 0.22222222222222 0.68506365435893 15.999 > 1 13 O 0.11111111111111 0.55555555555556 0.68506365435893 15.999 > 1 14 O 0.44444444444444 0.55555555555556 0.68506365435893 15.999 > 1 15 O 0.77777777777778 0.55555555555556 0.68506365435893 15.999 > 1 16 O 0.11111111111111 0.88888888888889 0.68506365435893 15.999 > 1 17 O 0.44444444444444 0.88888888888889 0.68506365435893 15.999 > 1 18 O 0.77777777777778 0.88888888888889 0.68506365435893 15.999 > 1 19 O 0.22222222222222 0.11111111111111 0.31493634564107 15.999 > 19 20 O 0.55555555555556 0.11111111111111 0.31493634564107 15.999 > 19 21 O 0.88888888888889 0.11111111111111 0.31493634564107 15.999 > 19 22 O 0.22222222222222 0.44444444444444 0.31493634564107 15.999 > 19 23 O 0.55555555555556 0.44444444444444 0.31493634564107 15.999 > 19 24 O 0.88888888888889 0.44444444444444 0.31493634564107 15.999 > 19 25 O 0.22222222222222 0.77777777777778 0.31493634564107 15.999 > 19 26 O 0.55555555555556 0.77777777777778 0.31493634564107 15.999 > 19 27 O 0.88888888888889 0.77777777777778 0.31493634564107 15.999 > 19 28 O 0.22222222222222 0.11111111111111 0.81493634564107 15.999 > 19 29 O 0.55555555555556 0.11111111111111 0.81493634564107 15.999 > 19 30 O 0.88888888888889 0.11111111111111 0.81493634564107 15.999 > 19 31 O 0.22222222222222 0.44444444444444 0.81493634564107 15.999 > 19 32 O 0.55555555555556 0.44444444444444 0.81493634564107 15.999 > 19 33 O 0.88888888888889 0.44444444444444 0.81493634564107 15.999 > 19 34 O 0.22222222222222 0.77777777777778 0.81493634564107 15.999 > 19 35 O 0.55555555555556 0.77777777777778 0.81493634564107 15.999 > 19 36 O 0.88888888888889 0.77777777777778 0.81493634564107 15.999 > 19 37 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 > 37 38 S 0.33333333333333 0.00000000000000 0.00000000000000 32.065 > 37 39 S 0.66666666666667 0.00000000000000 0.00000000000000 32.065 > 37 40 S 0.00000000000000 0.33333333333333 0.00000000000000 32.065 > 37 41 S 0.33333333333333 0.33333333333333 0.00000000000000 32.065 > 37 42 S 0.66666666666667 0.33333333333333 0.00000000000000 32.065 > 37 43 S 0.00000000000000 0.66666666666667 0.00000000000000 32.065 > 37 44 S 0.33333333333333 0.66666666666667 0.00000000000000 32.065 > 37 45 S 0.66666666666667 0.66666666666667 0.00000000000000 32.065 > 37 46 S 0.00000000000000 0.00000000000000 0.50000000000000 32.065 > 37 47 S 0.33333333333333 0.00000000000000 0.50000000000000 32.065 > 37 48 S 0.66666666666667 0.00000000000000 0.50000000000000 32.065 > 37 49 S 0.00000000000000 0.33333333333333 0.50000000000000 32.065 > 37 50 S 0.33333333333333 0.33333333333333 0.50000000000000 32.065 > 37 51 S 0.66666666666667 0.33333333333333 0.50000000000000 32.065 > 37 52 S 0.00000000000000 0.66666666666667 0.50000000000000 32.065 > 37 53 S 0.33333333333333 0.66666666666667 0.50000000000000 32.065 > 37 54 S 0.66666666666667 0.66666666666667 0.50000000000000 32.065 > 37 55 Y 0.22222222222222 0.11111111111111 0.14110007600455 88.906 > 55 56 Y 0.55555555555556 0.11111111111111 0.14110007600455 88.906 > 55 57 Y 0.88888888888889 0.11111111111111 0.14110007600455 88.906 > 55 58 Y 0.22222222222222 0.44444444444444 0.14110007600455 88.906 > 55 59 Y 0.55555555555556 0.44444444444444 0.14110007600455 88.906 > 55 60 Y 0.88888888888889 0.44444444444444 0.14110007600455 88.906 > 55 61 Y 0.22222222222222 0.77777777777778 0.14110007600455 88.906 > 55 62 Y 0.55555555555556 0.77777777777778 0.14110007600455 88.906 > 55 63 Y 0.88888888888889 0.77777777777778 0.14110007600455 88.906 > 55 64 Y 0.22222222222222 0.11111111111111 0.64110007600455 88.906 > 55 65 Y 0.55555555555556 0.11111111111111 0.64110007600455 88.906 > 55 66 Y 0.88888888888889 0.11111111111111 0.64110007600455 88.906 > 55 67 Y 0.22222222222222 0.44444444444444 0.64110007600455 88.906 > 55 68 Y 0.55555555555556 0.44444444444444 0.64110007600455 88.906 > 55 69 Y 0.88888888888889 0.44444444444444 0.64110007600455 88.906 > 55 70 Y 0.22222222222222 0.77777777777778 0.64110007600455 88.906 > 55 71 Y 0.55555555555556 0.77777777777778 0.64110007600455 88.906 > 55 72 Y 0.88888888888889 0.77777777777778 0.64110007600455 88.906 > 55 73 Y 0.11111111111111 0.22222222222222 0.35889992399545 88.906 > 73 74 Y 0.44444444444444 0.22222222222222 0.35889992399545 88.906 > 73 75 Y 0.77777777777778 0.22222222222222 0.35889992399545 88.906 > 73 76 Y 0.11111111111111 0.55555555555556 0.35889992399545 88.906 > 73 77 Y 0.44444444444444 0.55555555555556 0.35889992399545 88.906 > 73 78 Y 0.77777777777778 0.55555555555556 0.35889992399545 88.906 > 73 79 Y 0.11111111111111 0.88888888888889 0.35889992399545 88.906 > 73 80 Y 0.44444444444444 0.88888888888889 0.35889992399545 88.906 > 73 81 Y 0.77777777777778 0.88888888888889 0.35889992399545 88.906 > 73 82 Y 0.11111111111111 0.22222222222222 0.85889992399545 88.906 > 73 83 Y 0.44444444444444 0.22222222222222 0.85889992399545 88.906 > 73 84 Y 0.77777777777778 0.22222222222222 0.85889992399545 88.906 > 73 85 Y 0.11111111111111 0.55555555555556 0.85889992399545 88.906 > 73 86 Y 0.44444444444444 0.55555555555556 0.85889992399545 88.906 > 73 87 Y 0.77777777777778 0.55555555555556 0.85889992399545 88.906 > 73 88 Y 0.11111111111111 0.88888888888889 0.85889992399545 88.906 > 73 89 Y 0.44444444444444 0.88888888888889 0.85889992399545 88.906 > 73 90 Y 0.77777777777778 0.88888888888889 0.85889992399545 88.906 > 73----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 5.2871655 0.0000000 0.0000000 0.0000000 5.2871655 0.0000000 0.0000000 0.0000000 5.1595556-------------------------- Born effective charges -------------------------- 1 O -2.6417611 0.0000000 0.0000000 0.0000000 -2.6417611 0.0000000 0.0000000 0.0000000 -2.6969116 2 O -2.6417611 0.0000000 0.0000000 0.0000000 -2.6417611 0.0000000 0.0000000 0.0000000 -2.6969116 3 S -2.1667536 0.0000000 0.0000000 0.0000000 -2.1667536 0.0000000 0.0000000 0.0000000 -2.2442459 4 Y 3.7251379 0.0000000 0.0000000 0.0000000 3.7251379 0.0000000 0.0000000 0.0000000 3.8190345 5 Y 3.7251379 0.0000000 0.0000000 0.0000000 3.7251379 0.0000000 0.0000000 0.0000000 3.8190345----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz)Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 15 15 8 ]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: 0.96, Number of G-points: 301, Lambda: 0.23Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/192) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 192Calculating 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 4.222 ( 0.000 0.000 0.000) 0.000 4.222 ( 0.000 0.000 0.000) 0.000 6.336 ( 0.000 0.000 0.000) 0.000 6.336 ( 0.000 0.000 0.000) 0.000 7.586 ( 0.000 0.000 0.000) 0.000 7.815 ( 0.000 0.000 0.000) 0.000 11.356 ( 0.000 0.000 0.000) 0.000 11.356 ( 0.000 0.000 0.000) 0.000 13.030 ( 0.000 0.000 0.000) 0.000 13.204 ( 0.000 0.000 0.000) 0.000 13.204 ( 0.000 0.000 0.000) 0.000 13.815 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/192) =======================q-point: ( 0.07 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.623 ( 26.557 15.333 -2.017) 30.732 0.844 ( 35.152 20.295 0.545) 40.594 1.330 ( 55.851 32.246 0.606) 64.494 4.249 ( 2.296 1.326 0.793) 2.767 4.384 ( 13.273 7.663 -0.872) 15.351 6.347 ( 0.953 0.550 -0.238) 1.126 7.172 ( -3.345 -1.931 0.573) 3.904 7.584 ( 0.106 0.061 -0.212) 0.245 7.805 ( -0.857 -0.495 2.713) 2.888 11.332 ( -2.193 -1.266 0.992) 2.720 12.453 ( -27.725 -16.007 -3.844) 32.244 13.196 ( -0.582 -0.336 -0.897) 1.121 13.681 ( -1.359 -0.785 32.343) 32.381 13.740 ( 14.774 8.530 -22.561) 28.285 16.035 ( 2.053 1.185 -6.595) 7.008======================= Grid point 2 (3/192) =======================q-point: ( 0.13 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.257 ( 27.049 15.617 -1.898) 31.291 1.649 ( 32.786 18.929 0.959) 37.870 2.628 ( 53.621 30.958 -0.153) 61.916 4.328 ( 4.228 2.441 1.892) 5.236 4.815 ( 22.316 12.884 -1.982) 25.845 6.382 ( 2.093 1.208 -0.613) 2.493 7.038 ( -8.072 -4.660 2.732) 9.712 7.602 ( 1.402 0.809 -1.668) 2.324 7.775 ( -1.715 -0.990 6.203) 6.511 11.246 ( -5.202 -3.003 1.561) 6.206 11.821 ( -25.062 -14.470 -2.156) 29.020 13.184 ( -0.222 -0.128 -1.475) 1.497 13.385 ( -15.999 -9.237 8.118) 20.179 14.207 ( 17.425 10.060 3.057) 20.352 16.085 ( 1.747 1.009 -10.756) 10.944======================= Grid point 3 (4/192) =======================q-point: ( 0.20 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.897 ( 26.894 15.527 -2.144) 31.129 2.385 ( 29.377 16.961 1.287) 33.946 3.843 ( 48.535 28.022 -2.707) 56.108 4.443 ( 5.399 3.117 3.436) 7.118 5.393 ( 25.656 14.813 -3.517) 29.833 6.447 ( 3.323 1.919 -1.131) 4.000 6.808 ( -10.599 -6.119 8.196) 14.730 7.632 ( 0.425 0.245 -4.152) 4.181 7.734 ( -1.191 -0.687 10.006) 10.100 11.080 ( -8.928 -5.155 1.479) 10.415 11.292 ( -19.362 -11.179 -1.110) 22.385 12.964 ( -19.218 -11.096 6.106) 23.016 13.195 ( 1.252 0.723 -1.538) 2.111 14.548 ( 11.538 6.662 4.259) 13.987 16.103 ( -0.384 -0.222 -12.655) 12.663======================= Grid point 4 (5/192) =======================q-point: ( 0.27 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.516 ( 25.184 14.540 -2.900) 29.224 3.035 ( 25.569 14.762 1.050) 29.543 4.575 ( 5.525 3.190 5.172) 8.213 4.863 ( 35.472 20.480 -9.806) 42.117 5.978 ( 22.459 12.966 -5.769) 26.567 6.537 ( 4.203 2.427 -1.606) 5.112 6.604 ( -3.787 -2.186 19.944) 20.418 7.598 ( -2.827 -1.632 1.981) 3.819 7.737 ( 0.998 0.576 3.985) 4.148 10.830 ( -11.960 -6.905 0.940) 13.842 10.917 ( -12.319 -7.112 -0.726) 14.243 12.494 ( -20.200 -11.663 3.734) 23.622 13.245 ( 2.899 1.674 -1.212) 3.560 14.760 ( 6.547 3.780 4.889) 9.003 16.065 ( -2.740 -1.582 -13.041) 13.419======================= Grid point 5 (6/192) =======================q-point: ( 0.33 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.069 ( 21.226 12.255 -3.780) 24.799 3.596 ( 21.958 12.677 -0.052) 25.355 4.696 ( 4.580 2.644 6.333) 8.251 5.348 ( 3.605 2.082 -15.715) 16.257 6.419 ( 17.393 10.042 1.577) 20.146 6.638 ( 4.205 2.428 -1.745) 5.159 6.798 ( 18.756 10.829 21.540) 30.546 7.526 ( -2.941 -1.698 5.653) 6.595 7.759 ( 0.725 0.419 -1.537) 1.750 10.534 ( -12.518 -7.227 0.388) 14.459 10.711 ( -5.133 -2.964 -0.493) 5.948 12.020 ( -19.694 -11.370 1.452) 22.786 13.324 ( 3.576 2.065 -0.799) 4.206 14.869 ( 2.977 1.719 5.050) 6.108 15.982 ( -3.983 -2.299 -11.902) 12.760======================= Grid point 6 (7/192) =======================q-point: ( 0.40 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.498 ( 14.592 8.425 -3.771) 17.266 4.077 ( 18.908 10.916 -1.611) 21.892 4.785 ( 2.841 1.640 5.754) 6.623 5.198 ( -12.094 -6.983 -6.625) 15.457 6.727 ( 3.107 1.794 -1.362) 3.837 6.807 ( 13.339 7.701 1.507) 15.476 7.276 ( 18.435 10.644 14.889) 25.977 7.471 ( -1.163 -0.672 5.411) 5.575 7.771 ( 0.267 0.154 -5.008) 5.018 10.265 ( -9.630 -5.560 0.082) 11.120 10.674 ( 1.960 1.131 0.030) 2.263 11.574 ( -17.769 -10.259 -0.200) 20.519 13.403 ( 2.872 1.658 -0.449) 3.347 14.912 ( 0.895 0.517 4.076) 4.205 15.891 ( -3.436 -1.984 -8.676) 9.541======================= Grid point 7 (8/192) =======================q-point: ( 0.47 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.738 ( 5.295 3.057 -1.711) 6.349 4.495 ( 16.586 9.576 -2.176) 19.275 4.829 ( 0.903 0.521 2.454) 2.666 4.870 ( -14.994 -8.657 -0.142) 17.314 6.778 ( 1.142 0.660 -0.515) 1.416 7.012 ( 4.070 2.350 0.633) 4.742 7.436 ( -0.016 -0.009 1.540) 1.540 7.625 ( 8.185 4.726 9.799) 13.615 7.766 ( -0.894 -0.516 -6.488) 6.570 10.104 ( -3.639 -2.101 0.000) 4.201 10.786 ( 6.264 3.617 0.511) 7.252 11.208 ( -11.698 -6.754 -0.718) 13.526 13.451 ( 1.090 0.629 -0.146) 1.267 14.922 ( 0.108 0.062 1.602) 1.606 15.832 ( -1.340 -0.774 -3.228) 3.580======================= Grid point 16 (9/192) =======================q-point: ( 0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.097 ( 15.990 27.695 0.000) 31.980 1.439 ( 19.350 33.516 0.000) 38.700 2.280 ( 31.218 54.071 0.000) 62.436 4.310 ( 2.573 4.456 0.000) 5.145 4.673 ( 11.480 19.884 0.000) 22.960 6.371 ( 1.056 1.829 0.000) 2.112 7.085 ( -3.956 -6.852 0.000) 7.912 7.594 ( 0.627 1.087 0.000) 1.255 7.783 ( -0.974 -1.688 0.000) 1.949 11.281 ( -2.247 -3.892 0.000) 4.494 11.993 ( -14.874 -25.763 0.000) 29.749 13.130 ( -2.721 -4.712 0.000) 5.441 13.515 ( -6.680 -11.570 0.000) 13.360 14.109 ( 11.614 20.115 0.000) 23.227 16.066 ( 0.893 1.547 0.000) 1.787======================= Grid point 17 (10/192) =======================q-point: ( 0.13 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.696 ( 19.960 25.780 -1.048) 32.621 2.133 ( 23.173 26.609 0.657) 35.291 3.416 ( 38.710 43.521 -0.813) 58.251 4.424 ( 3.530 6.840 1.623) 7.866 5.161 ( 19.331 20.189 -1.647) 28.000 6.424 ( 2.221 2.902 -0.524) 3.692 6.896 ( -7.736 -8.971 3.112) 12.248 7.625 ( 1.095 1.356 -2.120) 2.745 7.738 ( -1.402 -2.519 5.073) 5.835 11.162 ( -5.999 -5.581 0.864) 8.239 11.478 ( -16.777 -17.754 -0.771) 24.439 12.969 ( -5.219 -16.823 1.980) 17.725 13.301 ( -6.943 -1.395 0.790) 7.125 14.478 ( 9.368 14.575 2.397) 17.491 16.084 ( 0.618 -1.308 -6.739) 6.893======================= Grid point 18 (11/192) =======================q-point: ( 0.20 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.314 ( 20.374 24.273 -1.794) 31.741 2.786 ( 22.596 21.274 0.928) 31.049 4.471 ( 30.451 26.972 -3.075) 40.795 4.583 ( 8.734 15.139 1.781) 17.568 5.728 ( 21.795 17.192 -3.658) 27.999 6.509 ( 3.143 4.318 -1.529) 5.555 6.661 ( -7.374 -7.691 11.175) 15.440 7.627 ( -2.063 -0.909 -1.621) 2.777 7.708 ( 1.287 -1.747 6.165) 6.536 10.950 ( -9.600 -8.087 0.818) 12.579 11.064 ( -13.667 -10.079 -0.529) 16.990 12.610 ( -12.035 -20.262 3.165) 23.779 13.255 ( -0.671 3.183 -0.777) 3.345 14.733 ( 5.072 10.408 4.012) 12.254 16.056 ( -0.482 -4.472 -10.174) 11.124======================= Grid point 19 (12/192) =======================q-point: ( 0.27 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.897 ( 18.208 21.994 -2.702) 28.680 3.365 ( 20.639 16.936 0.452) 26.702 4.690 ( 2.611 7.420 5.159) 9.406 5.271 ( 15.808 18.179 -14.088) 27.907 6.232 ( 17.203 12.084 -2.633) 21.188 6.567 ( 5.062 0.552 8.629) 10.020 6.657 ( 7.410 7.843 11.456) 15.737 7.559 ( -3.085 -2.093 4.449) 5.805 7.724 ( 2.028 -1.923 -0.103) 2.797 10.689 ( -11.367 -6.717 0.664) 13.220 10.774 ( -8.632 -6.828 -0.619) 11.024 12.169 ( -14.535 -18.826 1.914) 23.861 13.310 ( 2.020 4.397 -0.841) 4.912 14.877 ( 1.308 7.112 5.021) 8.803 15.980 ( -1.337 -6.614 -11.277) 13.141======================= Grid point 20 (13/192) =======================q-point: ( 0.33 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.388 ( 13.352 18.318 -3.375) 22.918 3.865 ( 18.406 13.264 -0.662) 22.697 4.787 ( 0.998 4.818 5.412) 7.315 5.380 ( -10.001 3.167 -10.758) 15.026 6.646 ( 14.216 10.507 1.526) 17.743 6.696 ( 5.489 4.442 -0.226) 7.065 7.034 ( 20.275 11.223 15.988) 28.154 7.488 ( -2.318 -1.971 5.752) 6.508 7.736 ( 1.989 -2.681 -3.846) 5.093 10.409 ( -12.253 -5.035 0.291) 13.250 10.644 ( -0.340 -3.484 -0.257) 3.510 11.725 ( -14.663 -16.701 0.333) 22.227 13.400 ( 2.015 5.399 -0.612) 5.795 14.935 ( -1.006 4.255 4.963) 6.614 15.886 ( -1.145 -6.941 -9.982) 12.212======================= Grid point 21 (14/192) =======================q-point: ( 0.40 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.724 ( 5.757 13.171 -2.731) 14.631 4.287 ( 16.178 8.999 -1.410) 18.566 4.807 ( -1.445 -1.777 2.749) 3.578 5.175 ( -15.901 7.613 -1.972) 17.739 6.770 ( 1.862 2.517 -0.961) 3.275 6.954 ( 7.206 6.369 0.924) 9.661 7.428 ( 2.889 1.661 4.574) 5.660 7.477 ( 11.686 3.392 10.904) 16.339 7.740 ( 1.593 -3.180 -6.213) 7.159 10.186 ( -7.925 -2.295 0.087) 8.251 10.681 ( 6.415 -0.550 0.361) 6.448 11.324 ( -12.394 -13.476 -0.672) 18.321 13.478 ( 0.034 5.732 -0.333) 5.741 14.942 ( -1.480 2.041 3.173) 4.053 15.810 ( 0.187 -5.648 -5.957) 8.211======================= Grid point 22 (15/192) =======================q-point: ( 0.47 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.845 ( -4.140 7.171 0.000) 8.280 4.563 ( 3.236 -5.604 -0.000) 6.472 4.703 ( -0.108 0.187 -0.000) 0.216 5.065 ( -9.903 17.152 -0.000) 19.806 6.800 ( -0.812 1.406 0.000) 1.624 7.047 ( -0.665 1.152 -0.000) 1.331 7.427 ( 0.475 -0.823 0.000) 0.951 7.657 ( 1.203 -2.084 0.000) 2.406 7.722 ( 1.865 -3.231 -0.000) 3.730 10.101 ( -0.997 1.726 -0.000) 1.994 10.787 ( 2.496 -4.323 -0.000) 4.992 11.093 ( 1.978 -3.426 0.000) 3.956 13.509 ( -2.785 4.823 0.000) 5.570 14.937 ( -0.826 1.430 -0.000) 1.651 15.782 ( 2.315 -4.009 -0.000) 4.630======================= Grid point 33 (16/192) =======================q-point: ( 0.13 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.264 ( 16.658 28.853 0.000) 33.316 2.691 ( 15.721 27.229 0.000) 31.442 4.320 ( 23.915 41.422 0.000) 47.830 4.603 ( 6.910 11.968 0.000) 13.820 5.612 ( 13.332 23.092 0.000) 26.664 6.504 ( 2.917 5.052 0.000) 5.834 6.689 ( -6.040 -10.462 0.000) 12.080 7.650 ( 0.405 0.702 0.000) 0.810 7.676 ( -1.904 -3.298 0.000) 3.808 10.994 ( -6.408 -11.099 0.000) 12.816 11.146 ( -8.004 -13.864 0.000) 16.008 12.593 ( -11.256 -19.496 0.000) 22.512 13.286 ( 0.188 0.326 0.000) 0.377 14.752 ( 6.688 11.585 0.000) 13.377 16.029 ( -2.339 -4.050 0.000) 4.677======================= Grid point 34 (17/192) =======================q-point: ( 0.20 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.850 ( 16.445 27.210 -0.884) 31.805 3.229 ( 16.506 21.578 0.269) 27.168 4.717 ( 3.988 8.127 1.819) 9.234 5.208 ( 20.009 32.459 -5.314) 38.499 6.072 ( 15.167 15.772 -1.339) 21.922 6.522 ( -1.621 -4.078 5.439) 6.989 6.636 ( 4.757 7.624 2.400) 9.301 7.596 ( -3.325 -1.941 2.247) 4.457 7.663 ( 1.622 -2.744 -0.377) 3.209 10.754 ( -6.859 -9.890 0.142) 12.037 10.882 ( -9.837 -8.758 -0.066) 13.171 12.181 ( -11.450 -21.169 0.878) 24.083 13.325 ( 1.702 4.093 -0.370) 4.448 14.941 ( 2.432 9.311 2.678) 9.989 15.924 ( -2.106 -8.107 -5.231) 9.875======================= Grid point 35 (18/192) =======================q-point: ( 0.27 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.380 ( 13.026 24.228 -1.789) 27.566 3.713 ( 15.806 16.913 0.012) 23.150 4.820 ( 0.785 3.619 2.912) 4.711 5.608 ( -3.969 16.136 -11.252) 20.068 6.490 ( 16.982 11.239 3.832) 20.722 6.614 ( 8.647 5.928 3.644) 11.099 6.858 ( 10.951 10.605 7.255) 16.883 7.517 ( -3.275 -1.843 5.461) 6.629 7.659 ( 2.195 -4.406 -3.640) 6.122 10.555 ( -8.389 -6.305 0.526) 10.507 10.636 ( -6.010 -6.689 -0.428) 9.003 11.762 ( -11.618 -20.265 0.412) 23.363 13.423 ( 2.759 6.709 -0.526) 7.273 15.028 ( -2.018 7.268 4.825) 8.954 15.803 ( -0.420 -10.417 -8.107) 13.207======================= Grid point 36 (19/192) =======================q-point: ( 0.33 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.786 ( 6.992 19.645 -2.594) 21.013 4.128 ( 13.727 12.332 0.152) 18.454 4.817 ( -1.622 -2.409 1.728) 3.379 5.571 ( -14.521 16.070 -4.331) 22.087 6.742 ( 5.664 2.971 -0.353) 6.405 6.897 ( 8.623 10.553 0.747) 13.648 7.231 ( 17.850 7.396 10.738) 22.105 7.446 ( -2.215 -2.205 4.823) 5.747 7.656 ( 2.790 -4.810 -5.328) 7.701 10.319 ( -9.970 -3.962 0.292) 10.732 10.572 ( 3.143 -3.420 0.093) 4.646 11.367 ( -10.653 -17.654 -0.417) 20.624 13.543 ( 1.476 8.425 -0.481) 8.567 15.026 ( -4.407 4.365 4.684) 7.773 15.711 ( 1.903 -9.740 -7.234) 12.281======================= Grid point 37 (20/192) =======================q-point: ( 0.40 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.014 ( -1.583 14.532 -1.601) 14.705 4.425 ( 8.913 3.934 0.826) 9.777 4.734 ( -3.158 -3.375 -0.226) 4.627 5.493 ( -14.940 21.226 -0.313) 25.959 6.827 ( 0.707 2.982 -0.497) 3.104 7.063 ( 1.839 4.267 0.343) 4.659 7.401 ( 0.577 -2.962 1.946) 3.591 7.538 ( 10.216 0.672 7.395) 12.629 7.649 ( 1.742 -5.217 -5.691) 7.914 10.163 ( -4.630 -0.192 0.103) 4.635 10.646 ( 7.245 -2.896 0.432) 7.814 11.055 ( -5.480 -12.097 -0.628) 13.295 13.628 ( -2.163 8.423 -0.212) 8.699 14.989 ( -3.046 2.553 1.857) 4.387 15.670 ( 3.472 -7.807 -2.791) 8.988======================= Grid point 49 (21/192) =======================q-point: ( 0.20 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.393 ( 14.478 25.077 0.000) 28.957 3.659 ( 11.747 20.347 0.000) 23.494 4.830 ( 1.345 2.330 0.000) 2.691 5.765 ( 11.150 19.313 0.000) 22.301 6.348 ( 6.550 11.345 0.000) 13.100 6.568 ( 6.062 10.500 0.000) 12.124 6.825 ( 6.043 10.467 0.000) 12.087 7.557 ( -1.116 -1.933 0.000) 2.232 7.594 ( -2.128 -3.686 0.000) 4.256 10.577 ( -4.136 -7.164 0.000) 8.272 10.683 ( -6.086 -10.541 0.000) 12.171 11.755 ( -11.712 -20.286 0.000) 23.424 13.433 ( 3.773 6.535 0.000) 7.546 15.099 ( 3.365 5.829 0.000) 6.730 15.739 ( -5.447 -9.434 0.000) 10.893======================= Grid point 50 (22/192) =======================q-point: ( 0.27 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.845 ( 9.898 20.023 -1.308) 22.374 4.059 ( 11.336 17.192 0.664) 20.603 4.813 ( -1.757 -3.674 0.433) 4.095 5.972 ( -7.204 19.090 -4.316) 20.855 6.590 ( 12.559 1.991 2.720) 13.003 6.873 ( 8.958 14.873 0.176) 17.363 7.055 ( 9.577 8.106 3.763) 13.099 7.478 ( -4.325 -2.962 4.959) 7.216 7.560 ( 2.344 -4.102 -4.799) 6.734 10.424 ( -7.095 -6.856 0.266) 9.869 10.513 ( -1.339 -4.578 -0.081) 4.771 11.359 ( -10.157 -18.783 -0.146) 21.354 13.585 ( 3.948 8.904 -0.252) 9.743 15.163 ( -3.322 5.635 3.836) 7.583 15.570 ( -0.236 -11.859 -4.848) 12.814======================= Grid point 51 (23/192) =======================q-point: ( 0.33 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.153 ( 4.625 15.253 -3.307) 16.278 4.368 ( 5.312 10.991 3.797) 12.784 4.730 ( -1.311 -4.841 -1.140) 5.143 5.988 ( -13.989 23.084 -1.543) 27.036 6.798 ( 7.584 2.537 0.002) 7.997 7.081 ( 2.238 7.231 -0.221) 7.572 7.301 ( 8.458 -1.678 6.231) 10.639 7.396 ( 2.396 -2.663 1.312) 3.815 7.567 ( 2.088 -2.945 -3.130) 4.779 10.243 ( -5.901 -3.491 0.196) 6.859 10.514 ( 4.258 -1.926 0.285) 4.682 11.025 ( -7.162 -15.322 -0.524) 16.922 13.733 ( 1.256 9.662 -0.296) 9.748 15.105 ( -6.706 3.230 3.606) 8.270 15.504 ( 4.690 -10.014 -4.374) 11.892======================= Grid point 52 (24/192) =======================q-point: ( 0.40 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.293 ( -6.843 11.852 0.000) 13.685 4.447 ( 0.292 -0.506 -0.000) 0.584 4.702 ( 0.267 -0.463 -0.000) 0.534 5.978 ( -14.391 24.925 -0.000) 28.781 6.885 ( -1.253 2.170 0.000) 2.505 7.134 ( -1.637 2.836 -0.000) 3.275 7.300 ( 4.004 -6.936 0.000) 8.009 7.479 ( 3.811 -6.602 -0.000) 7.623 7.566 ( 1.201 -2.080 -0.000) 2.402 10.170 ( -0.378 0.654 -0.000) 0.755 10.571 ( 2.329 -4.033 -0.000) 4.657 10.853 ( 4.248 -7.357 0.000) 8.495 13.799 ( -4.381 7.588 0.000) 8.762 15.053 ( -2.292 3.970 -0.000) 4.585 15.499 ( 5.055 -8.755 -0.000) 10.109======================= Grid point 66 (25/192) =======================q-point: ( 0.27 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.176 ( 7.350 12.730 0.000) 14.699 4.404 ( 8.682 15.038 0.000) 17.364 4.707 ( -3.370 -5.836 0.000) 6.739 6.332 ( 7.811 13.529 0.000) 15.622 6.648 ( 3.194 5.532 0.000) 6.388 7.128 ( 4.732 8.196 0.000) 9.464 7.183 ( 2.988 5.176 0.000) 5.977 7.361 ( -4.190 -7.257 0.000) 8.380 7.532 ( 0.235 0.407 0.000) 0.470 10.281 ( -3.758 -6.510 0.000) 7.517 10.466 ( -0.015 -0.026 0.000) 0.030 11.007 ( -8.811 -15.262 0.000) 17.623 13.772 ( 5.071 8.784 0.000) 10.143 15.247 ( 0.796 1.378 0.000) 1.591 15.346 ( -4.773 -8.267 0.000) 9.546======================= Grid point 67 (26/192) =======================q-point: ( 0.33 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.389 ( 5.158 8.054 -2.315) 9.840 4.539 ( -7.124 3.016 4.754) 9.081 4.670 ( 4.239 0.987 -2.547) 5.043 6.462 ( -11.082 22.140 -0.529) 24.764 6.850 ( 10.866 2.558 0.256) 11.166 7.171 ( -1.571 -8.834 0.789) 9.007 7.194 ( -2.681 2.778 -0.264) 3.870 7.317 ( 6.256 -5.009 0.384) 8.023 7.544 ( 0.457 0.030 -0.252) 0.523 10.182 ( -1.767 -2.210 0.042) 2.830 10.506 ( 2.894 1.364 0.153) 3.203 10.753 ( -3.547 -10.999 -0.201) 11.558 13.912 ( 0.588 7.080 -0.070) 7.105 15.159 ( -6.180 2.211 1.517) 6.736 15.320 ( 5.356 -7.469 -1.595) 9.328======================= Grid point 82 (27/192) =======================q-point: ( 0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.506 ( -1.927 -3.338 0.000) 3.854 4.506 ( 1.927 3.338 0.000) 3.854 4.714 ( -0.000 -0.000 0.000) 0.000 6.788 ( -0.000 -0.000 0.000) 0.000 6.933 ( -5.155 -8.929 0.000) 10.311 6.933 ( 5.155 8.929 0.000) 10.311 7.240 ( -0.894 -1.548 0.000) 1.788 7.240 ( 0.894 1.548 0.000) 1.788 7.547 ( -0.000 -0.000 0.000) 0.000 10.159 ( -0.000 -0.000 0.000) 0.000 10.579 ( -2.988 -5.175 0.000) 5.976 10.579 ( 2.988 5.175 0.000) 5.976 13.991 ( -0.000 -0.000 0.000) 0.000 15.210 ( -1.692 -2.931 0.000) 3.385 15.210 ( 1.692 2.931 0.000) 3.385======================= Grid point 241 (28/192) =======================q-point: ( 0.00 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 184Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.769 ( 0.000 -0.000 39.514) 39.514 0.769 ( 0.000 0.000 39.514) 39.514 1.223 ( -0.000 -0.000 63.306) 63.306 4.141 ( 0.000 -0.000 -8.312) 8.312 4.141 ( 0.000 0.000 -8.312) 8.312 6.341 ( 0.000 -0.000 0.511) 0.511 6.341 ( 0.000 0.000 0.511) 0.511 7.361 ( -0.000 -0.000 -22.320) 22.320 10.087 ( -0.000 0.000 8.336) 8.336 11.381 ( 0.000 -0.000 2.421) 2.421 11.381 ( 0.000 0.000 2.421) 2.421 13.187 ( 0.000 -0.000 -1.682) 1.682 13.187 ( 0.000 0.000 -1.682) 1.682 13.809 ( 0.000 -0.000 -0.544) 0.544 16.744 ( 0.000 0.000 0.442) 0.442======================= Grid point 242 (29/192) =======================q-point: ( 0.07 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.962 ( 15.921 9.192 29.911) 35.108 0.979 ( 23.199 13.394 22.392) 34.914 1.887 ( 41.254 23.818 43.306) 64.379 4.186 ( 3.178 1.835 -7.399) 8.260 4.289 ( 12.583 7.265 -8.906) 17.042 6.347 ( 0.686 0.396 0.287) 0.842 6.679 ( 17.907 10.339 -17.193) 26.892 7.317 ( -2.942 -1.699 -20.761) 21.037 8.763 ( -42.188 -24.357 43.288) 65.169 11.371 ( -1.774 -1.024 2.913) 3.561 12.149 ( 0.480 0.277 -17.140) 17.149 13.165 ( -1.039 -0.600 -2.206) 2.511 13.299 ( 9.095 5.251 -13.616) 17.196 14.027 ( 16.601 9.585 4.678) 19.732 16.287 ( -21.531 -12.431 16.826) 30.021======================= Grid point 243 (30/192) =======================q-point: ( 0.13 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.431 ( 22.449 12.961 18.311) 31.737 1.670 ( 31.654 18.276 5.394) 36.947 2.923 ( 44.581 25.739 26.059) 57.698 4.290 ( 5.634 3.253 -5.778) 8.701 4.702 ( 21.565 12.450 -9.245) 26.562 6.374 ( 1.621 0.936 -0.186) 1.881 6.934 ( 2.367 1.366 -9.800) 10.173 7.314 ( 4.712 2.720 -18.574) 19.354 8.165 ( -14.653 -8.460 20.712) 26.744 11.289 ( -5.327 -3.076 2.682) 6.711 11.807 ( -20.628 -11.910 0.992) 23.840 13.147 ( -0.249 -0.144 -2.201) 2.220 13.290 ( -9.275 -5.355 -12.562) 16.508 14.453 ( 16.505 9.529 14.857) 24.165 15.963 ( -7.396 -4.270 -0.547) 8.558======================= Grid point 244 (31/192) =======================q-point: ( 0.20 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.984 ( 23.816 13.750 10.668) 29.497 2.397 ( 29.255 16.890 1.455) 33.812 3.927 ( 39.013 22.524 9.031) 45.945 4.446 ( 7.358 4.248 -3.252) 9.097 5.269 ( 25.703 14.840 -7.699) 30.662 6.425 ( 2.683 1.549 -0.980) 3.249 6.907 ( -1.524 -0.880 1.439) 2.273 7.474 ( 6.747 3.895 -10.559) 13.122 7.917 ( -7.721 -4.458 7.354) 11.557 11.114 ( -9.425 -5.442 1.949) 11.057 11.323 ( -19.121 -11.039 4.129) 22.461 12.953 ( -17.794 -10.273 -6.575) 21.573 13.162 ( 1.577 0.910 -1.731) 2.512 14.767 ( 10.168 5.871 16.471) 20.228 15.855 ( -3.014 -1.740 -11.777) 12.280======================= Grid point 245 (32/192) =======================q-point: ( 0.27 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.535 ( 22.440 12.956 4.713) 26.337 3.036 ( 24.621 14.215 -0.451) 28.433 4.627 ( 7.684 4.436 0.077) 8.873 4.691 ( 24.118 13.924 -8.828) 29.215 5.891 ( 26.326 15.199 -1.663) 30.444 6.500 ( 3.592 2.074 -2.022) 4.614 6.949 ( 6.190 3.574 13.766) 15.511 7.594 ( 3.124 1.804 -2.556) 4.421 7.770 ( -4.928 -2.845 -0.014) 5.690 10.852 ( -12.403 -7.161 1.302) 14.381 10.935 ( -13.313 -7.686 2.537) 15.581 12.494 ( -20.487 -11.828 -3.821) 23.963 13.221 ( 3.293 1.901 -1.157) 3.974 14.946 ( 5.242 3.026 14.038) 15.287 15.788 ( -2.865 -1.654 -14.929) 15.291======================= Grid point 246 (33/192) =======================q-point: ( 0.33 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.027 ( 18.911 10.918 -0.472) 21.841 3.562 ( 20.113 11.612 -3.271) 23.454 4.795 ( 6.167 3.561 3.578) 7.970 5.040 ( 6.039 3.487 -14.910) 16.460 6.471 ( 21.691 12.523 3.958) 25.358 6.590 ( 3.905 2.254 -3.025) 5.430 7.216 ( 15.578 8.994 18.874) 26.072 7.619 ( -0.879 -0.508 3.866) 3.997 7.684 ( -2.256 -1.302 -5.262) 5.871 10.550 ( -12.657 -7.307 1.158) 14.661 10.706 ( -5.945 -3.432 0.008) 6.864 12.006 ( -20.474 -11.820 -2.977) 23.828 13.308 ( 3.877 2.239 -0.747) 4.539 15.023 ( 1.381 0.797 10.642) 10.761 15.724 ( -2.221 -1.283 -14.150) 14.381======================= Grid point 247 (34/192) =======================q-point: ( 0.40 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.414 ( 13.532 7.813 -4.524) 16.268 3.999 ( 17.160 9.907 -6.619) 20.891 4.904 ( 2.841 1.640 6.134) 6.956 5.038 ( -4.962 -2.865 -8.067) 9.895 6.677 ( 3.302 1.906 -3.580) 5.230 6.886 ( 13.261 7.656 5.416) 16.242 7.552 ( 5.722 3.304 5.545) 8.626 7.570 ( -1.837 -1.061 4.133) 4.645 7.697 ( 6.953 4.014 5.113) 9.519 10.281 ( -9.542 -5.509 1.441) 11.112 10.657 ( 1.745 1.008 -1.678) 2.622 11.542 ( -18.424 -10.637 -3.089) 21.497 13.393 ( 3.101 1.791 -0.489) 3.614 15.018 ( -1.521 -0.878 6.543) 6.775 15.699 ( 0.372 0.215 -10.435) 10.444======================= Grid point 248 (35/192) =======================q-point: ( 0.47 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.654 ( 6.480 3.741 -6.332) 9.801 4.384 ( 15.213 8.783 -10.141) 20.284 4.850 ( -9.952 -5.746 0.033) 11.492 4.921 ( -1.484 -0.857 6.468) 6.691 6.739 ( 1.798 1.038 -3.399) 3.982 7.090 ( 3.832 2.212 6.098) 7.534 7.492 ( -2.892 -1.669 3.721) 4.999 7.566 ( -2.434 -1.405 -8.163) 8.634 7.901 ( 5.391 3.113 13.158) 14.557 10.122 ( -3.557 -2.054 1.762) 4.469 10.766 ( 5.771 3.332 -2.538) 7.131 11.170 ( -11.191 -6.461 -3.110) 13.291 13.447 ( 1.302 0.752 -0.281) 1.530 14.966 ( -2.538 -1.465 2.774) 4.035 15.746 ( 3.520 2.032 -5.319) 6.694======================= Grid point 249 (36/192) =======================q-point: (-0.47 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.707 ( -2.236 -1.291 -4.633) 5.304 4.467 ( -13.093 -7.559 -6.489) 16.452 4.841 ( -3.461 -1.998 3.241) 5.146 4.841 ( 12.880 7.437 -0.698) 14.889 6.758 ( -0.274 -0.158 -2.541) 2.560 7.073 ( -4.888 -2.822 5.689) 8.013 7.422 ( -7.042 -4.066 -7.255) 10.897 7.447 ( -4.985 -2.878 0.555) 5.783 7.922 ( -2.591 -1.496 8.620) 9.125 10.122 ( 3.532 2.039 1.754) 4.440 10.749 ( -5.934 -3.426 -3.123) 7.530 11.194 ( 11.885 6.862 -2.175) 13.895 13.452 ( -0.873 -0.504 -0.072) 1.011 14.911 ( -1.984 -1.146 0.528) 2.352 15.858 ( 5.748 3.319 -0.629) 6.667======================= Grid point 250 (37/192) =======================q-point: (-0.40 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.541 ( -11.840 -6.836 0.290) 13.675 4.070 ( -19.155 -11.059 -2.186) 22.227 4.708 ( -5.941 -3.430 -1.733) 7.075 5.221 ( 15.977 9.224 -4.629) 19.021 6.726 ( -2.354 -1.359 -1.392) 3.054 6.863 ( -13.388 -7.730 6.335) 16.707 7.053 ( -21.367 -12.336 -7.267) 25.720 7.400 ( -0.816 -0.471 -1.370) 1.663 7.837 ( -3.943 -2.276 2.091) 5.010 10.278 ( 9.288 5.362 1.310) 10.804 10.658 ( -0.733 -0.423 -1.477) 1.703 11.549 ( 16.751 9.671 -2.745) 19.536 13.409 ( -2.637 -1.522 0.151) 3.049 14.872 ( -1.463 -0.845 -0.090) 1.692 16.006 ( 6.465 3.733 2.936) 8.022======================= Grid point 251 (38/192) =======================q-point: (-0.33 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.162 ( -19.620 -11.328 5.550) 23.325 3.578 ( -22.425 -12.947 -1.279) 25.926 4.570 ( -5.632 -3.252 -6.228) 9.004 5.496 ( 2.094 1.209 -5.292) 5.818 6.414 ( -19.956 -11.522 3.266) 23.273 6.546 ( -20.298 -11.719 -2.386) 23.560 6.652 ( -3.789 -2.187 -0.378) 4.391 7.420 ( 2.789 1.610 -4.582) 5.600 7.740 ( -4.464 -2.578 -3.195) 6.065 10.536 ( 12.008 6.933 0.595) 13.878 10.726 ( 6.536 3.774 1.170) 7.637 11.958 ( 17.631 10.179 -4.657) 20.884 13.336 ( -3.311 -1.912 0.391) 3.843 14.832 ( -2.230 -1.287 0.898) 2.727 16.150 ( 5.473 3.160 5.117) 8.131======================= Grid point 252 (39/192) =======================q-point: (-0.27 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.642 ( -23.820 -13.752 9.872) 29.223 3.009 ( -25.744 -14.863 -0.607) 29.733 4.442 ( -5.284 -3.051 -8.340) 10.334 5.031 ( -36.846 -21.273 4.502) 42.784 5.981 ( -24.352 -14.060 -7.737) 29.164 6.363 ( 8.880 5.127 -0.137) 10.255 6.556 ( -4.146 -2.394 0.280) 4.796 7.534 ( 6.697 3.866 -4.056) 8.732 7.618 ( -5.844 -3.374 -7.912) 10.399 10.820 ( 11.503 6.641 -0.045) 13.283 10.967 ( 13.775 7.953 4.427) 16.511 12.373 ( 17.235 9.951 -8.154) 21.507 13.263 ( -2.684 -1.550 0.574) 3.152 14.752 ( -4.806 -2.775 3.381) 6.499 16.253 ( 3.057 1.765 5.986) 6.949======================= Grid point 253 (40/192) =======================q-point: (-0.20 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.063 ( -24.724 -14.274 14.463) 32.004 2.359 ( -29.254 -16.890 0.374) 33.782 4.029 ( -45.649 -26.355 14.213) 54.593 4.322 ( -4.746 -2.740 -8.947) 10.492 5.369 ( -26.497 -15.298 -5.854) 31.151 6.464 ( -3.483 -2.011 0.574) 4.063 6.631 ( 11.436 6.602 -9.026) 15.994 7.456 ( -7.437 -4.294 -13.809) 16.261 7.740 ( 10.531 6.080 3.102) 12.550 11.063 ( 8.858 5.114 -0.191) 10.230 11.373 ( 20.303 11.722 7.265) 24.544 12.762 ( 15.417 8.901 -12.985) 22.035 13.215 ( -1.299 -0.750 0.495) 1.579 14.592 ( -8.990 -5.190 6.882) 12.455 16.291 ( 0.237 0.137 6.169) 6.175======================= Grid point 254 (41/192) =======================q-point: (-0.13 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.495 ( -22.870 -13.204 20.970) 33.722 1.636 ( -31.377 -18.116 3.997) 36.451 2.930 ( -46.484 -26.837 26.630) 59.918 4.222 ( -3.623 -2.092 -8.970) 9.897 4.771 ( -23.196 -13.392 -6.493) 27.560 6.395 ( -2.289 -1.321 0.635) 2.718 6.824 ( 2.344 1.353 -15.189) 15.428 7.298 ( -4.164 -2.404 -18.845) 19.448 8.058 ( 17.680 10.207 18.264) 27.392 11.234 ( 5.683 3.281 0.376) 6.573 11.892 ( 22.244 12.843 5.653) 26.300 13.071 ( 9.586 5.535 -18.333) 21.416 13.199 ( -0.222 -0.128 -0.015) 0.257 14.326 ( -13.280 -7.667 9.732) 18.162 16.283 ( 0.066 0.038 8.055) 8.055======================= Grid point 255 (42/192) =======================q-point: (-0.07 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.949 ( -23.095 -13.334 21.002) 33.945 1.011 ( -17.048 -9.843 31.035) 36.752 1.877 ( -41.066 -23.710 43.341) 64.242 4.157 ( -1.794 -1.036 -8.769) 9.010 4.319 ( -14.068 -8.122 -7.554) 17.915 6.355 ( -1.102 -0.636 0.601) 1.407 6.649 ( -15.581 -8.996 -17.935) 25.404 7.313 ( 3.364 1.942 -20.800) 21.159 8.728 ( 45.038 26.003 43.287) 67.663 11.336 ( 3.021 1.744 1.420) 3.766 12.234 ( -4.030 -2.327 -15.982) 16.646 13.154 ( -1.376 -0.795 -13.116) 13.212 13.197 ( -0.126 -0.073 -0.846) 0.858 14.001 ( -12.838 -7.412 4.785) 15.577 16.391 ( 12.260 7.078 15.517) 21.005======================= Grid point 257 (43/192) =======================q-point: ( 0.07 0.07 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.332 ( 10.841 24.042 21.619) 34.102 1.454 ( 19.004 30.163 7.544) 36.440 2.634 ( 25.980 44.798 30.558) 60.130 4.234 ( 4.871 3.527 -7.825) 9.869 4.596 ( 9.364 21.256 -7.782) 24.496 6.372 ( 0.308 1.929 0.154) 1.960 6.865 ( 5.993 3.396 -14.924) 16.437 7.287 ( 1.283 1.134 -19.459) 19.535 8.224 ( -8.556 -22.237 25.250) 34.717 11.296 ( -0.612 -5.402 1.507) 5.642 11.990 ( -14.587 -17.096 0.695) 22.484 13.076 ( -1.420 -7.577 -6.251) 9.925 13.311 ( 3.152 -3.504 -11.476) 12.406 14.295 ( 13.407 14.279 10.742) 22.339 16.156 ( -13.202 -0.071 7.372) 15.121======================= Grid point 258 (44/192) =======================q-point: ( 0.13 0.07 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.830 ( 16.291 24.521 14.147) 32.663 2.137 ( 23.776 25.904 1.987) 35.217 3.586 ( 31.751 37.090 15.639) 51.268 4.387 ( 6.435 6.222 -5.512) 10.512 5.062 ( 17.485 21.749 -7.720) 28.954 6.408 ( 1.345 2.261 -0.882) 2.774 6.883 ( 0.555 -5.781 -4.029) 7.068 7.408 ( 5.925 5.866 -14.231) 16.494 7.948 ( -4.799 -11.476 10.241) 16.113 11.183 ( -5.195 -7.094 1.255) 8.882 11.521 ( -17.253 -15.663 5.120) 23.858 12.924 ( -2.843 -17.886 -6.276) 19.167 13.249 ( -4.325 0.032 -4.882) 6.523 14.656 ( 11.919 9.847 13.276) 20.379 15.971 ( -9.761 2.910 -4.147) 10.997======================= Grid point 259 (45/192) =======================q-point: ( 0.20 0.07 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.380 ( 17.051 23.966 8.356) 30.577 2.790 ( 22.527 20.721 0.348) 30.610 4.432 ( 24.607 23.832 -1.972) 34.312 4.586 ( 7.379 10.996 -2.326) 13.445 5.633 ( 22.143 20.129 -4.001) 30.191 6.466 ( 2.631 2.082 -2.101) 3.959 6.867 ( 4.131 -2.259 8.081) 9.352 7.552 ( 4.232 3.440 -6.091) 8.176 7.784 ( -2.903 -7.903 1.978) 8.649 10.966 ( -9.382 -9.115 0.813) 13.106 11.100 ( -14.845 -10.151 4.131) 18.452 12.596 ( -10.581 -20.985 -4.511) 23.931 13.227 ( -0.326 3.574 -1.916) 4.068 14.905 ( 6.404 7.220 12.925) 16.130 15.847 ( -6.276 -0.303 -10.721) 12.426======================= Grid point 260 (46/192) =======================q-point: ( 0.27 0.07 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.904 ( 14.795 22.306 3.371) 26.978 3.351 ( 19.398 16.186 -1.661) 25.319 4.746 ( 5.909 6.281 0.094) 8.624 4.989 ( 9.353 15.358 -14.107) 22.856 6.231 ( 22.202 17.603 2.558) 28.448 6.547 ( 3.930 2.382 -2.652) 5.306 7.026 ( 13.049 4.164 17.180) 21.972 7.617 ( 0.841 0.390 0.684) 1.152 7.679 ( -1.174 -5.629 -3.230) 6.595 10.699 ( -10.903 -7.486 0.315) 13.229 10.786 ( -10.143 -7.074 1.759) 12.491 12.159 ( -14.635 -19.379 -3.017) 24.471 13.291 ( 2.294 4.652 -1.047) 5.291 15.037 ( 1.324 5.515 11.344) 12.683 15.739 ( -3.378 -3.686 -13.184) 14.100======================= Grid point 261 (47/192) =======================q-point: ( 0.33 0.07 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.343 ( 10.379 19.038 -1.124) 21.713 3.816 ( 16.509 13.140 -4.415) 21.557 4.870 ( 2.852 1.817 2.307) 4.094 5.150 ( -3.472 9.325 -10.698) 14.611 6.642 ( 3.876 3.038 -2.874) 5.702 6.729 ( 15.410 12.143 4.539) 20.137 7.377 ( 17.580 6.335 16.268) 24.776 7.595 ( -2.098 -1.801 5.219) 5.906 7.631 ( 1.453 -3.585 -5.579) 6.789 10.421 ( -12.024 -5.283 0.889) 13.164 10.634 ( -0.934 -3.593 -0.792) 3.796 11.702 ( -15.370 -17.010 -2.704) 23.084 13.387 ( 2.254 5.498 -0.660) 5.979 15.068 ( -2.768 3.178 8.495) 9.483 15.668 ( 0.465 -4.320 -11.943) 12.709======================= Grid point 262 (48/192) =======================q-point: ( 0.40 0.07 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.649 ( 4.665 14.274 -4.483) 15.672 4.213 ( 14.427 10.760 -6.640) 19.184 4.863 ( -2.089 -5.024 2.214) 5.874 5.125 ( -9.840 11.209 -1.252) 14.968 6.726 ( 2.120 2.900 -3.405) 4.950 7.028 ( 7.607 5.922 5.404) 11.051 7.519 ( -2.805 -3.048 4.117) 5.840 7.567 ( 0.687 -1.305 -5.451) 5.647 7.764 ( 12.267 1.292 12.907) 17.854 10.200 ( -7.694 -2.510 1.298) 8.197 10.666 ( 6.216 -0.353 -1.888) 6.506 11.288 ( -12.812 -13.408 -2.955) 18.779 13.470 ( 0.299 5.758 -0.454) 5.783 15.019 ( -4.261 0.535 4.433) 6.172 15.675 ( 4.187 -2.512 -7.487) 8.939======================= Grid point 263 (49/192) =======================q-point: ( 0.47 0.07 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.791 ( -2.470 9.115 -5.060) 10.714 4.490 ( 4.312 -0.857 -8.274) 9.370 4.750 ( -1.027 -0.705 4.535) 4.703 5.061 ( -10.535 13.618 0.919) 17.242 6.771 ( -0.079 1.993 -2.887) 3.509 7.116 ( -1.196 0.422 5.856) 5.992 7.445 ( -1.881 -3.334 0.117) 3.830 7.518 ( -4.334 -2.867 -5.438) 7.522 7.892 ( 3.240 -3.739 10.540) 11.643 10.116 ( -0.843 1.322 1.426) 2.120 10.758 ( 1.169 -4.611 -2.754) 5.497 11.070 ( 3.346 -2.411 -2.298) 4.721 13.507 ( -2.496 4.902 -0.247) 5.507 14.950 ( -3.235 -0.118 1.319) 3.496 15.756 ( 6.802 -1.111 -2.618) 7.372======================= Grid point 265 (50/192) =======================q-point: (-0.47 0.07 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.735 ( -11.562 3.677 -1.769) 12.261 4.273 ( -14.979 -9.692 -3.022) 18.095 4.791 ( -2.555 -0.397 1.525) 3.002 5.153 ( 4.102 18.536 -3.949) 19.391 6.759 ( -2.460 -0.080 -2.006) 3.175 7.008 ( -9.171 -3.249 5.268) 11.064 7.273 ( -14.619 -9.117 -7.331) 18.724 7.411 ( -1.900 -1.547 1.074) 2.675 7.847 ( -1.318 -5.308 5.006) 7.414 10.197 ( 5.957 5.082 1.126) 7.911 10.655 ( -1.969 -5.106 -2.231) 5.910 11.311 ( 17.298 4.071 -1.995) 17.882 13.482 ( -4.746 2.971 0.000) 5.599 14.908 ( -2.190 1.079 -0.258) 2.455 15.883 ( 8.493 -1.072 1.375) 8.670======================= Grid point 266 (51/192) =======================q-point: (-0.40 0.07 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.458 ( -20.555 -1.452 3.400) 20.885 3.852 ( -20.864 -9.600 -1.642) 23.025 4.691 ( -7.650 1.460 -3.970) 8.741 5.448 ( 7.670 11.820 -5.550) 15.144 6.653 ( -8.899 -8.632 -2.561) 12.660 6.700 ( -19.854 -7.567 6.823) 22.316 6.847 ( -17.597 -4.452 -3.836) 18.552 7.396 ( 1.128 0.284 -3.087) 3.299 7.768 ( -2.232 -4.060 -0.339) 4.645 10.411 ( 10.296 7.195 0.392) 12.567 10.645 ( 4.494 -0.511 -0.071) 4.524 11.692 ( 20.124 4.207 -3.006) 20.778 13.408 ( -5.481 0.970 0.190) 5.570 14.886 ( -2.741 2.458 -0.227) 3.689 16.024 ( 8.893 -2.146 4.021) 9.993======================= Grid point 267 (52/192) =======================q-point: (-0.33 0.07 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.001 ( -26.629 -4.638 7.762) 28.122 3.345 ( -25.343 -9.236 -0.863) 26.987 4.567 ( -8.538 2.416 -7.226) 11.443 5.417 ( -22.081 -8.850 -3.739) 24.081 6.260 ( -19.954 -8.136 -7.642) 22.864 6.331 ( -5.681 -3.042 6.203) 8.945 6.658 ( -7.485 1.964 1.837) 7.954 7.465 ( 4.928 2.800 -4.738) 7.388 7.677 ( -4.096 -3.193 -4.775) 7.055 10.677 ( 11.602 5.885 -0.408) 13.016 10.809 ( 11.362 4.762 2.923) 12.661 12.096 ( 20.827 3.403 -5.303) 21.760 13.320 ( -4.616 0.029 0.176) 4.620 14.847 ( -5.158 2.919 1.542) 6.124 16.142 ( 7.667 -4.008 5.061) 10.023======================= Grid point 268 (53/192) =======================q-point: (-0.27 0.07 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.446 ( -29.278 -5.696 11.577) 31.995 2.765 ( -29.982 -8.408 -0.145) 31.139 4.432 ( -10.094 0.464 -7.506) 12.587 4.636 ( -42.984 -14.516 5.617) 45.715 5.711 ( -26.987 -11.459 -5.160) 29.770 6.441 ( 5.538 1.062 -4.649) 7.308 6.595 ( -0.760 6.528 1.789) 6.811 7.552 ( -6.594 -2.366 -9.723) 11.984 7.625 ( 8.544 4.656 -1.265) 9.812 10.938 ( 11.381 4.564 -0.356) 12.267 11.125 ( 17.300 6.849 5.738) 19.471 12.491 ( 20.176 2.278 -8.481) 22.004 13.257 ( -2.641 0.650 -0.423) 2.752 14.749 ( -9.282 2.544 4.824) 10.766 16.204 ( 5.192 -6.468 4.691) 9.529======================= Grid point 269 (54/192) =======================q-point: (-0.20 0.07 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.869 ( -29.042 -5.197 16.004) 33.565 2.116 ( -34.542 -5.904 1.261) 35.065 3.616 ( -50.353 -12.010 17.213) 54.552 4.329 ( -7.917 2.575 -8.118) 11.628 5.114 ( -27.649 -8.638 -6.204) 29.624 6.424 ( -2.516 -1.486 -0.543) 2.972 6.776 ( 7.322 6.690 -8.266) 12.911 7.396 ( -8.265 -1.230 -15.365) 17.490 7.866 ( 12.771 5.742 8.177) 16.215 11.153 ( 8.048 3.429 0.066) 8.749 11.554 ( 23.716 4.524 7.159) 25.183 12.842 ( 16.619 1.351 -10.524) 19.718 13.249 ( 0.013 2.712 -3.047) 4.079 14.564 ( -14.549 2.433 8.863) 17.209 16.194 ( 3.091 -9.335 4.013) 10.620======================= Grid point 274 (55/192) =======================q-point: ( 0.13 0.13 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.378 ( 14.243 28.039 11.419) 33.458 2.684 ( 16.394 26.858 0.311) 31.468 4.358 ( 15.655 32.800 1.437) 36.373 4.559 ( 10.800 14.650 -3.982) 18.631 5.558 ( 12.238 25.868 -4.181) 28.920 6.449 ( 0.851 0.634 -3.387) 3.549 6.747 ( 4.839 -5.750 3.555) 8.314 7.528 ( 3.309 5.465 -8.826) 10.895 7.721 ( -1.003 -10.377 1.314) 10.508 10.995 ( -5.612 -11.287 0.020) 12.605 11.200 ( -9.396 -14.959 5.486) 18.497 12.530 ( -8.023 -19.759 -6.181) 22.204 13.263 ( 0.114 1.594 -2.098) 2.638 14.835 ( 9.631 7.184 7.705) 14.273 16.017 ( -11.456 0.865 -1.195) 11.550======================= Grid point 275 (56/192) =======================q-point: ( 0.20 0.13 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.917 ( 13.794 27.427 7.695) 31.650 3.222 ( 16.239 21.079 -0.644) 26.617 4.693 ( 7.244 6.820 -4.649) 10.981 5.049 ( 9.335 27.709 -10.855) 31.189 6.072 ( 17.673 22.204 2.332) 28.474 6.488 ( 4.178 -0.272 -2.551) 4.903 6.853 ( 9.555 1.630 12.280) 15.645 7.606 ( 0.956 0.153 -4.089) 4.202 7.619 ( 0.168 -6.136 -0.973) 6.215 10.756 ( -7.073 -10.487 -0.034) 12.650 10.906 ( -10.464 -9.546 2.576) 14.397 12.156 ( -10.145 -21.345 -3.405) 23.877 13.308 ( 1.594 4.721 -1.232) 5.133 15.039 ( 6.017 5.354 7.082) 10.725 15.816 ( -9.815 -2.838 -5.661) 11.681======================= Grid point 276 (57/192) =======================q-point: ( 0.27 0.13 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.401 ( 9.794 24.823 3.990) 26.981 3.692 ( 14.884 17.259 -2.141) 22.891 4.829 ( 3.367 1.096 -2.481) 4.324 5.353 ( -1.742 20.455 -13.247) 24.432 6.575 ( 10.888 8.430 3.643) 14.244 6.609 ( 11.157 10.634 -0.635) 15.426 7.118 ( 16.381 4.565 15.316) 22.885 7.556 ( 1.251 -5.951 -6.454) 8.868 7.611 ( -1.338 -0.941 3.971) 4.294 10.551 ( -7.402 -6.885 -0.996) 10.158 10.643 ( -7.395 -6.909 1.166) 10.188 11.745 ( -11.743 -20.330 -2.173) 23.578 13.410 ( 2.720 7.044 -0.743) 7.587 15.151 ( 0.201 5.162 7.640) 9.222 15.631 ( -4.614 -6.691 -9.220) 12.291======================= Grid point 277 (58/192) =======================q-point: ( 0.33 0.13 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.754 ( 4.306 19.591 -0.526) 20.065 4.106 ( 12.642 15.502 -2.375) 20.144 4.837 ( -0.285 -4.296 -0.143) 4.308 5.453 ( -9.022 19.394 -6.453) 22.342 6.709 ( 4.171 3.418 -2.640) 6.004 6.956 ( 9.055 9.668 4.381) 13.952 7.463 ( 14.000 1.840 9.566) 17.056 7.518 ( 0.982 -5.925 -1.378) 6.162 7.578 ( 1.699 -1.091 4.009) 4.489 10.325 ( -9.539 -4.403 0.196) 10.508 10.563 ( 2.858 -3.232 -0.992) 4.427 11.342 ( -11.292 -17.520 -2.117) 20.951 13.532 ( 1.533 8.539 -0.573) 8.695 15.135 ( -6.458 2.952 6.150) 9.393 15.553 ( 3.760 -6.605 -8.579) 11.461======================= Grid point 278 (59/192) =======================q-point: ( 0.40 0.13 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.958 ( -1.270 15.058 -3.524) 15.517 4.419 ( 6.420 8.300 -1.977) 10.677 4.759 ( -1.727 -4.033 2.593) 5.096 5.454 ( -13.039 20.344 -2.773) 24.323 6.794 ( 1.060 3.690 -2.685) 4.685 7.124 ( 2.394 3.446 4.758) 6.344 7.428 ( -1.392 -6.106 -0.698) 6.301 7.539 ( -0.755 -1.162 -1.422) 1.985 7.732 ( 9.720 -4.350 9.914) 14.549 10.169 ( -4.389 -0.792 0.449) 4.483 10.635 ( 6.704 -2.738 -1.487) 7.393 11.026 ( -5.301 -11.399 -2.227) 12.767 13.621 ( -1.891 8.497 -0.483) 8.718 15.032 ( -5.864 0.733 2.361) 6.364 15.601 ( 7.230 -4.595 -4.030) 9.467======================= Grid point 279 (60/192) =======================q-point: (-0.53 0.13 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.005 ( -9.329 11.270 -2.365) 14.820 4.394 ( -8.383 -6.193 -2.507) 10.720 4.778 ( 2.688 1.677 4.345) 5.377 5.454 ( -10.628 23.293 -3.783) 25.881 6.811 ( -2.490 1.333 -2.093) 3.515 7.116 ( -4.821 -0.079 4.794) 6.799 7.339 ( -2.653 -6.776 -4.656) 8.639 7.464 ( -5.547 -2.562 1.010) 6.193 7.769 ( 2.754 -7.415 6.194) 10.047 10.165 ( 2.609 3.120 0.240) 4.074 10.621 ( -1.379 -7.235 -2.029) 7.639 11.048 ( 13.500 -0.759 -1.306) 13.584 13.628 ( -5.877 6.230 -0.216) 8.567 14.968 ( -2.807 2.200 -0.155) 3.570 15.697 ( 8.756 -4.683 -0.066) 9.929======================= Grid point 280 (61/192) =======================q-point: (-0.47 0.13 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.839 ( -19.231 5.746 2.461) 20.221 4.101 ( -16.257 -6.654 -2.505) 17.744 4.795 ( -1.745 0.267 0.040) 1.766 5.567 ( -3.434 20.851 -5.180) 21.758 6.714 ( -6.830 -5.818 -2.883) 9.425 6.955 ( -13.268 -1.640 6.260) 14.762 7.092 ( -15.303 -6.703 -3.641) 17.098 7.386 ( -0.379 -0.733 -0.707) 1.087 7.730 ( 0.910 -5.540 2.292) 6.064 10.313 ( 8.337 5.711 -0.401) 10.113 10.562 ( 2.334 -3.611 -0.853) 4.383 11.357 ( 19.742 0.578 -1.439) 19.803 13.548 ( -7.879 2.945 0.053) 8.412 14.967 ( -1.995 4.890 -1.367) 5.455 15.810 ( 9.968 -6.066 2.772) 11.993======================= Grid point 281 (62/192) =======================q-point: (-0.40 0.13 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.461 ( -26.450 0.993 6.306) 27.210 3.697 ( -22.234 -5.211 -1.367) 22.878 4.739 ( -6.012 2.539 -4.957) 8.195 5.646 ( -8.837 5.235 -9.823) 14.212 6.446 ( -11.249 -7.174 0.297) 13.345 6.576 ( -22.607 -4.203 4.188) 23.372 6.849 ( -10.638 2.581 2.856) 11.313 7.417 ( 3.127 1.930 -4.291) 5.650 7.687 ( -0.795 -3.495 -0.769) 3.666 10.535 ( 9.844 3.623 -1.503) 10.597 10.657 ( 9.834 2.240 1.736) 10.234 11.732 ( 21.732 0.339 -2.603) 21.890 13.428 ( -7.215 0.621 -0.026) 7.241 14.977 ( -3.872 6.203 -0.505) 7.329 15.919 ( 10.101 -7.748 3.627) 13.237======================= Grid point 282 (63/192) =======================q-point: (-0.33 0.13 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.948 ( -30.460 -1.368 9.036) 31.802 3.216 ( -26.953 -3.100 -0.469) 27.134 4.634 ( -9.379 3.246 -6.631) 11.936 5.208 ( -33.444 -9.723 -7.072) 35.540 6.087 ( -25.647 -5.643 0.843) 26.274 6.393 ( 2.001 5.185 -1.786) 5.838 6.727 ( -6.986 4.774 6.551) 10.701 7.534 ( 6.551 3.898 -3.826) 8.529 7.624 ( -3.455 -1.722 -4.287) 5.769 10.750 ( 12.433 1.560 -0.364) 12.536 10.911 ( 13.608 3.649 3.042) 14.414 12.127 ( 22.113 0.742 -4.504) 22.579 13.321 ( -4.717 -0.208 -0.663) 4.768 14.942 ( -7.171 5.749 2.702) 9.580 15.999 ( 8.343 -9.234 2.115) 12.623======================= Grid point 290 (64/192) =======================q-point: ( 0.20 0.20 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.462 ( 12.623 24.851 6.889) 28.712 3.646 ( 11.851 20.299 -1.037) 23.528 4.784 ( 3.518 2.121 -4.732) 6.266 5.590 ( 2.425 23.421 -15.248) 28.052 6.449 ( 8.904 3.481 6.225) 11.408 6.544 ( 11.579 17.748 1.036) 21.217 6.933 ( 10.165 5.563 8.810) 14.556 7.475 ( 0.874 -5.670 -5.307) 7.816 7.633 ( -1.675 0.559 1.054) 2.056 10.564 ( -4.283 -8.073 -1.355) 9.239 10.696 ( -6.446 -10.699 1.438) 12.573 11.734 ( -10.945 -19.758 -2.088) 22.684 13.428 ( 3.437 7.013 -0.461) 7.824 15.111 ( 7.502 1.549 1.387) 7.785 15.737 ( -12.701 -4.524 -0.386) 13.488======================= Grid point 291 (65/192) =======================q-point: ( 0.27 0.20 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.857 ( 6.544 18.695 1.869) 19.895 4.072 ( 12.642 19.743 1.494) 23.491 4.799 ( -0.491 -3.357 -2.087) 3.984 5.807 ( -4.429 23.001 -11.238) 25.979 6.617 ( 8.861 1.057 0.009) 8.924 6.920 ( 8.582 14.024 4.259) 16.984 7.199 ( 14.550 3.065 9.829) 17.824 7.440 ( 0.917 -5.479 -5.611) 7.896 7.589 ( -2.275 -0.920 4.567) 5.185 10.412 ( -6.036 -7.085 -1.595) 9.443 10.514 ( -2.268 -4.976 0.258) 5.474 11.346 ( -10.481 -18.379 -1.186) 21.190 13.578 ( 3.660 9.179 -0.381) 9.889 15.232 ( 3.072 2.153 2.848) 4.710 15.481 ( -7.997 -7.282 -3.848) 11.480======================= Grid point 292 (66/192) =======================q-point: ( 0.33 0.20 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.100 ( 2.560 14.078 -2.382) 14.506 4.445 ( 6.312 16.534 4.859) 18.353 4.726 ( -1.098 -6.016 0.131) 6.116 5.905 ( -11.221 23.943 -6.399) 27.206 6.779 ( 6.228 3.316 -1.612) 7.238 7.119 ( 2.969 6.260 3.334) 7.689 7.366 ( -0.345 -8.512 -2.114) 8.777 7.457 ( 11.264 -2.888 6.750) 13.446 7.568 ( 0.943 -0.015 3.599) 3.720 10.237 ( -5.543 -4.126 -0.835) 6.960 10.509 ( 4.270 -1.744 -0.756) 4.674 11.007 ( -7.701 -14.787 -1.257) 16.719 13.725 ( 1.175 9.778 -0.514) 9.861 15.177 ( -9.276 1.043 3.406) 9.936 15.413 ( 7.214 -6.671 -4.610) 10.853======================= Grid point 293 (67/192) =======================q-point: ( 0.40 0.20 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.242 ( -2.078 12.377 -4.000) 13.172 4.491 ( -8.313 -1.329 3.077) 8.964 4.749 ( 3.520 2.738 5.043) 6.732 5.927 ( -13.561 24.929 -4.821) 28.785 6.868 ( -1.076 2.842 -1.545) 3.409 7.175 ( -0.795 1.574 2.719) 3.241 7.275 ( 0.761 -8.010 -1.329) 8.155 7.497 ( -0.640 -4.811 2.658) 5.534 7.618 ( 5.069 -4.634 4.173) 8.037 10.161 ( -0.211 -0.085 -0.923) 0.951 10.560 ( 1.431 -4.047 -0.988) 4.405 10.843 ( 4.964 -6.439 -0.986) 8.190 13.793 ( -4.069 7.691 -0.489) 8.715 15.057 ( -4.847 2.131 0.442) 5.313 15.489 ( 8.110 -6.336 -0.997) 10.340======================= Grid point 295 (68/192) =======================q-point: (-0.53 0.20 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.225 ( -15.476 7.245 3.655) 17.475 4.285 ( -9.529 -1.648 -4.501) 10.666 4.786 ( 0.738 -1.233 4.859) 5.067 5.951 ( -12.155 23.450 -5.277) 26.935 6.773 ( -6.907 -6.492 -2.296) 9.754 7.132 ( -6.307 2.327 4.140) 7.895 7.212 ( -3.998 -4.203 -2.419) 6.285 7.393 ( -2.569 -4.441 1.824) 5.445 7.636 ( 2.898 -4.649 3.164) 6.326 10.229 ( 6.023 2.781 -1.253) 6.751 10.501 ( -0.269 -4.113 -1.016) 4.245 11.025 ( 16.677 -1.336 -0.466) 16.737 13.734 ( -8.716 3.695 -0.149) 9.468 15.052 ( -1.188 6.066 -1.760) 6.427 15.565 ( 8.930 -8.102 1.780) 12.189======================= Grid point 296 (69/192) =======================q-point: (-0.47 0.20 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.909 ( -21.322 -0.622 4.800) 21.864 4.036 ( -20.015 1.182 -1.321) 20.094 4.793 ( 0.882 -0.331 -1.349) 1.645 5.916 ( -13.400 8.868 -9.890) 18.868 6.552 ( -8.153 -5.347 -0.604) 9.769 6.929 ( -18.562 -1.078 5.868) 19.498 7.057 ( -9.059 2.947 2.966) 9.977 7.389 ( 2.341 1.243 -3.396) 4.307 7.637 ( 1.982 -3.384 2.576) 4.692 10.402 ( 8.944 2.410 -2.028) 9.483 10.518 ( 5.935 -0.717 0.468) 5.997 11.351 ( 20.643 -0.621 -0.931) 20.673 13.587 ( -9.680 0.687 -0.057) 9.704 15.103 ( -2.133 7.830 -2.051) 8.371 15.645 ( 10.360 -9.462 2.578) 14.265======================= Grid point 307 (70/192) =======================q-point: ( 0.27 0.27 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.178 ( 3.547 13.374 -0.399) 13.842 4.425 ( 13.677 11.781 2.830) 18.272 4.733 ( -4.139 -1.241 2.816) 5.158 6.238 ( 5.375 16.973 -9.024) 19.960 6.651 ( 5.384 3.695 0.290) 6.536 7.155 ( 2.196 8.247 2.800) 8.982 7.236 ( 8.783 0.584 4.598) 9.931 7.329 ( -2.995 -5.109 -2.082) 6.278 7.580 ( -1.616 -0.019 3.689) 4.028 10.264 ( -3.551 -6.750 -1.777) 7.832 10.460 ( 0.078 -0.250 -0.531) 0.592 11.004 ( -9.169 -14.826 -0.356) 17.436 13.769 ( 4.726 8.837 -0.284) 10.025 15.210 ( 7.737 -4.213 -2.647) 9.199 15.378 ( -12.327 -2.236 2.183) 12.717======================= Grid point 308 (71/192) =======================q-point: ( 0.33 0.27 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.342 ( 1.876 9.748 -2.608) 10.264 4.601 ( -2.820 -5.549 0.560) 6.249 4.730 ( 3.068 9.817 9.790) 14.200 6.397 ( -9.606 22.997 -6.163) 25.673 6.842 ( 10.081 2.764 -0.718) 10.478 7.164 ( -4.326 -10.127 -2.065) 11.204 7.221 ( 0.038 2.483 3.311) 4.139 7.352 ( 6.136 -6.402 2.965) 9.350 7.575 ( 0.134 0.553 3.254) 3.304 10.164 ( -1.638 -2.681 -1.901) 3.673 10.503 ( 3.002 1.406 -0.410) 3.341 10.747 ( -3.818 -10.519 -0.423) 11.198 13.905 ( 0.524 7.075 -0.620) 7.121 15.182 ( -7.220 -0.069 0.515) 7.239 15.295 ( 6.420 -4.720 -0.777) 8.006======================= Grid point 309 (72/192) =======================q-point: (-0.60 0.27 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.400 ( -6.268 -1.193 -2.349) 6.799 4.492 ( -3.835 6.663 0.683) 7.718 4.785 ( -2.624 -0.605 9.608) 9.978 6.415 ( -13.546 20.154 -5.410) 24.879 6.828 ( -8.117 -8.466 -1.752) 11.859 7.148 ( 8.227 -0.474 -1.359) 8.352 7.233 ( -1.393 2.968 3.580) 4.855 7.332 ( 1.010 -8.780 1.695) 8.999 7.581 ( 0.278 -0.396 3.209) 3.245 10.162 ( 2.952 0.180 -1.991) 3.565 10.498 ( -2.936 -1.563 -0.591) 3.378 10.754 ( 11.456 -2.410 -0.137) 11.708 13.908 ( -6.149 2.943 -0.538) 6.838 15.133 ( -1.346 5.420 -1.063) 5.685 15.346 ( 6.295 -7.350 0.942) 9.723======================= Grid point 323 (73/192) =======================q-point: ( 0.33 0.33 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 308Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.495 ( -2.129 -4.259 -1.060) 4.878 4.495 ( 2.129 4.259 -1.060) 4.878 4.830 ( -0.000 -0.000 11.799) 11.799 6.730 ( -0.000 -0.000 -6.008) 6.008 6.922 ( -4.421 -8.841 -1.061) 9.942 6.922 ( 4.421 8.841 -1.061) 9.942 7.262 ( -0.630 -1.260 2.192) 2.606 7.262 ( 0.630 1.260 2.192) 2.606 7.582 ( -0.000 -0.000 3.507) 3.507 10.136 ( -0.000 -0.000 -2.335) 2.335 10.577 ( -2.709 -5.417 -0.183) 6.059 10.577 ( 2.709 5.417 -0.183) 6.059 13.983 ( -0.000 -0.000 -0.770) 0.770 15.211 ( -1.692 -3.383 0.053) 3.783 15.211 ( 1.692 3.383 0.053) 3.783======================= Grid point 482 (74/192) =======================q-point: ( 0.00 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.498 ( 0.000 -0.000 36.212) 36.212 1.498 ( 0.000 0.000 36.212) 36.212 2.407 ( 0.000 0.000 59.934) 59.934 3.913 ( 0.000 -0.000 -15.202) 15.202 3.913 ( 0.000 0.000 -15.202) 15.202 6.353 ( 0.000 0.000 0.652) 0.652 6.353 ( 0.000 0.000 0.652) 0.652 6.790 ( 0.000 -0.000 -35.898) 35.898 10.267 ( -0.000 0.000 9.304) 9.304 11.441 ( 0.000 -0.000 3.588) 3.588 11.441 ( 0.000 0.000 3.588) 3.588 13.145 ( 0.000 -0.000 -2.546) 2.546 13.145 ( 0.000 0.000 -2.546) 2.546 13.796 ( 0.000 0.000 -0.764) 0.764 16.755 ( -0.000 0.000 0.621) 0.621======================= Grid point 483 (75/192) =======================q-point: ( 0.07 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.576 ( 8.381 4.839 35.439) 36.737 1.584 ( 8.485 4.899 33.073) 34.494 2.765 ( 25.697 14.836 45.739) 54.521 3.974 ( 4.196 2.423 -14.396) 15.190 4.062 ( 13.292 7.674 -13.632) 20.528 6.356 ( 0.479 0.277 0.582) 0.803 6.507 ( 11.116 6.418 -4.739) 13.683 6.793 ( 1.068 0.617 -32.161) 32.184 9.327 ( -46.181 -26.663 19.147) 56.658 11.433 ( -2.021 -1.167 3.251) 4.002 11.970 ( 12.656 7.307 -2.650) 14.853 13.119 ( -0.964 -0.557 -2.349) 2.599 13.126 ( -1.039 -0.600 -6.790) 6.896 14.054 ( 21.054 12.155 -0.209) 24.311 16.497 ( -18.787 -10.846 6.499) 22.646======================= Grid point 484 (76/192) =======================q-point: ( 0.13 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.872 ( 15.164 8.755 25.862) 31.232 1.946 ( 21.599 12.470 23.028) 33.946 3.432 ( 28.151 16.253 21.640) 39.050 4.111 ( 7.414 4.280 -12.657) 15.280 4.521 ( 25.031 14.451 -6.111) 29.542 6.376 ( 1.190 0.687 0.323) 1.412 6.711 ( 4.421 2.552 -16.751) 17.511 6.950 ( 13.073 7.548 -15.527) 21.656 8.475 ( -26.477 -15.287 11.639) 32.714 11.339 ( -6.046 -3.491 2.256) 7.337 11.873 ( -14.901 -8.603 6.028) 18.231 13.038 ( -7.725 -4.460 -13.036) 15.796 13.108 ( 0.215 0.124 -1.664) 1.683 14.624 ( 22.946 13.248 3.468) 26.721 16.042 ( -17.287 -9.981 7.092) 21.184======================= Grid point 485 (77/192) =======================q-point: ( 0.20 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.267 ( 17.651 10.191 17.797) 27.058 2.512 ( 24.707 14.265 11.785) 30.868 4.031 ( 22.187 12.810 -2.460) 25.737 4.319 ( 10.010 5.779 -9.803) 15.156 5.204 ( 31.540 18.210 3.994) 36.637 6.413 ( 1.972 1.138 -0.207) 2.286 6.832 ( 7.262 4.193 -10.138) 13.156 7.275 ( 12.763 7.369 -8.879) 17.206 8.007 ( -14.426 -8.329 2.115) 16.792 11.147 ( -10.090 -5.825 1.254) 11.718 11.442 ( -19.604 -11.318 8.075) 24.034 12.764 ( -14.813 -8.552 -12.030) 20.911 13.135 ( 2.115 1.221 -0.888) 2.598 15.050 ( 12.963 7.484 9.781) 17.881 15.717 ( -10.474 -6.047 -0.776) 12.119======================= Grid point 486 (78/192) =======================q-point: ( 0.27 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.681 ( 16.929 9.774 9.982) 21.948 3.060 ( 21.043 12.149 4.209) 24.660 4.483 ( 16.138 9.317 -13.622) 23.083 4.572 ( 11.013 6.358 -5.819) 13.985 5.945 ( 29.828 17.221 7.223) 35.192 6.468 ( 2.641 1.525 -1.109) 3.245 7.074 ( 13.044 7.531 -1.299) 15.118 7.506 ( 5.521 3.188 -6.032) 8.776 7.768 ( -5.110 -2.950 0.193) 5.904 10.874 ( -12.576 -7.261 0.882) 14.548 11.009 ( -16.127 -9.311 4.993) 19.279 12.366 ( -18.341 -10.589 -8.719) 22.902 13.205 ( 3.638 2.100 -0.410) 4.220 15.251 ( 4.250 2.454 15.804) 16.548 15.530 ( -5.392 -3.113 -10.556) 12.256======================= Grid point 487 (79/192) =======================q-point: ( 0.33 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.051 ( 14.137 8.162 2.840) 16.569 3.499 ( 16.271 9.394 -2.352) 18.935 4.791 ( 9.673 5.585 -11.327) 15.908 4.820 ( 9.504 5.487 -1.139) 11.033 6.535 ( 2.944 1.700 -2.381) 4.151 6.565 ( 22.008 12.707 5.589) 26.020 7.404 ( 11.463 6.618 0.619) 13.250 7.519 ( 0.080 0.046 -9.331) 9.331 7.786 ( 4.483 2.588 10.712) 11.897 10.574 ( -12.347 -7.129 1.231) 14.311 10.712 ( -8.522 -4.920 0.692) 9.864 11.916 ( -19.444 -11.226 -5.946) 23.227 13.298 ( 4.036 2.330 -0.254) 4.667 15.247 ( -3.890 -2.246 10.951) 11.836 15.481 ( 1.006 0.581 -9.333) 9.405======================= Grid point 488 (80/192) =======================q-point: ( 0.40 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.340 ( 10.126 5.846 -2.969) 12.063 3.846 ( 13.471 7.778 -8.200) 17.584 4.927 ( 1.824 1.053 -3.530) 4.111 4.999 ( 5.179 2.990 3.300) 6.830 6.603 ( 2.735 1.579 -3.713) 4.875 6.977 ( 12.849 7.418 3.327) 15.205 7.441 ( -0.842 -0.486 -7.719) 7.780 7.634 ( 1.345 0.777 0.826) 1.760 7.969 ( 10.358 5.980 14.937) 19.135 10.315 ( -9.090 -5.248 1.919) 10.670 10.616 ( 0.332 0.192 -2.385) 2.415 11.465 ( -18.202 -10.509 -4.536) 21.502 13.386 ( 3.190 1.842 -0.244) 3.692 15.130 ( -5.286 -3.052 3.752) 7.165 15.539 ( 3.568 2.060 -4.710) 6.258======================= Grid point 489 (81/192) =======================q-point: ( 0.47 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.524 ( 5.332 3.079 -6.626) 9.045 4.135 ( 10.322 5.960 -14.049) 18.424 4.897 ( -3.285 -1.897 4.189) 5.651 5.049 ( -1.154 -0.666 6.262) 6.402 6.660 ( 1.944 1.123 -4.470) 5.002 7.170 ( 3.292 1.901 0.316) 3.815 7.427 ( -0.909 -0.525 -3.737) 3.882 7.588 ( -3.763 -2.173 4.789) 6.467 8.149 ( 3.190 1.842 12.012) 12.564 10.164 ( -3.351 -1.935 2.430) 4.569 10.701 ( 4.984 2.878 -3.874) 6.937 11.099 ( -10.751 -6.207 -4.052) 13.059 13.441 ( 1.388 0.801 -0.254) 1.623 15.016 ( -4.160 -2.402 2.061) 5.227 15.650 ( 5.832 3.367 -4.191) 7.931======================= Grid point 490 (82/192) =======================q-point: (-0.47 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.586 ( -0.207 -0.119 -7.221) 7.225 4.244 ( -3.498 -2.019 -14.812) 15.353 4.880 ( 4.411 2.546 4.343) 6.693 4.946 ( -7.297 -4.213 6.636) 10.725 6.690 ( 0.479 0.276 -4.239) 4.275 7.129 ( -6.521 -3.765 -2.044) 7.802 7.350 ( -6.514 -3.761 2.386) 7.891 7.504 ( -3.099 -1.789 3.471) 4.985 8.099 ( -6.827 -3.942 9.926) 12.675 10.164 ( 3.302 1.907 2.420) 4.516 10.680 ( -5.100 -2.945 -3.700) 6.955 11.131 ( 11.788 6.806 -4.116) 14.220 13.449 ( -0.777 -0.448 -0.251) 0.931 14.938 ( -2.350 -1.357 2.109) 3.437 15.811 ( 7.647 4.415 -4.037) 9.708======================= Grid point 491 (83/192) =======================q-point: (-0.40 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.505 ( -6.807 -3.930 -3.702) 8.688 3.995 ( -15.502 -8.950 -5.706) 18.787 4.727 ( -10.483 -6.052 3.631) 12.637 5.071 ( 8.910 5.144 -9.056) 13.706 6.679 ( -1.401 -0.809 -3.294) 3.670 6.890 ( -12.847 -7.417 -2.250) 15.004 7.094 ( -15.686 -9.056 8.364) 19.950 7.426 ( -3.406 -1.967 3.059) 4.983 7.886 ( -9.756 -5.632 4.523) 12.139 10.310 ( 8.728 5.039 1.898) 10.256 10.623 ( 1.296 0.748 -1.974) 2.477 11.477 ( 16.052 9.267 -4.400) 19.050 13.408 ( -2.530 -1.461 -0.236) 2.931 14.902 ( -0.863 -0.498 2.907) 3.073 15.998 ( 7.897 4.559 -3.557) 9.788======================= Grid point 492 (84/192) =======================q-point: (-0.33 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.259 ( -13.932 -8.044 3.854) 16.542 3.568 ( -20.136 -11.626 0.508) 23.257 4.482 ( -9.797 -5.656 -2.384) 11.561 5.175 ( -2.718 -1.569 -23.026) 23.239 6.556 ( -17.789 -10.270 7.245) 21.781 6.626 ( -2.949 -1.703 -2.141) 4.022 6.640 ( -17.628 -10.177 10.722) 23.006 7.377 ( 0.213 0.123 -0.008) 0.246 7.672 ( -8.518 -4.918 -2.276) 10.095 10.554 ( 11.432 6.600 1.212) 13.256 10.753 ( 9.647 5.570 1.444) 11.233 11.857 ( 15.732 9.083 -5.502) 18.981 13.337 ( -3.232 -1.866 -0.242) 3.739 14.888 ( -0.611 -0.353 4.487) 4.542 16.169 ( 6.232 3.598 -3.083) 7.828======================= Grid point 493 (85/192) =======================q-point: (-0.27 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.866 ( -18.737 -10.818 12.433) 24.953 3.052 ( -23.462 -13.546 5.750) 27.695 4.275 ( -7.676 -4.432 -8.308) 12.148 4.871 ( -22.225 -12.832 -21.303) 33.353 5.959 ( -28.347 -16.366 9.168) 33.992 6.459 ( -1.550 -0.895 5.822) 6.091 6.547 ( -3.547 -2.048 -1.087) 4.238 7.433 ( -3.644 -2.104 -7.465) 8.569 7.504 ( 2.669 1.541 -1.330) 3.357 10.828 ( 11.288 6.517 0.858) 13.062 11.075 ( 17.452 10.076 6.433) 21.154 12.210 ( 14.008 8.087 -8.214) 18.141 13.265 ( -2.759 -1.593 -0.386) 3.209 14.857 ( -2.447 -1.413 6.795) 7.359 16.282 ( 3.259 1.882 -2.851) 4.722======================= Grid point 494 (86/192) =======================q-point: (-0.20 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.406 ( -19.472 -11.242 20.065) 30.135 2.469 ( -25.407 -14.669 12.028) 31.708 4.115 ( -5.914 -3.414 -12.114) 13.906 4.219 ( -31.060 -17.933 -0.148) 35.865 5.269 ( -29.416 -16.983 0.742) 33.975 6.467 ( -3.128 -1.806 -0.273) 3.622 6.486 ( 2.776 1.602 -6.803) 7.520 7.207 ( -11.225 -6.481 -11.252) 17.164 7.796 ( 17.899 10.334 3.020) 20.887 11.073 ( 9.235 5.332 1.183) 10.729 11.556 ( 22.334 12.894 11.271) 28.144 12.515 ( 11.679 6.743 -12.360) 18.293 13.212 ( -1.669 -0.964 -0.815) 2.093 14.749 ( -7.295 -4.212 8.501) 11.968 16.327 ( 0.965 0.557 -2.135) 2.408======================= Grid point 495 (87/192) =======================q-point: (-0.13 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.894 ( -21.704 -12.531 22.432) 33.635 1.973 ( -16.630 -9.601 27.117) 33.227 3.463 ( -32.024 -18.489 24.027) 44.098 3.996 ( -4.144 -2.393 -14.211) 14.995 4.608 ( -25.574 -14.765 -7.479) 30.463 6.404 ( -2.113 -1.220 0.264) 2.454 6.548 ( 1.259 0.727 -15.156) 15.225 6.938 ( -10.547 -6.090 -16.605) 20.593 8.358 ( 30.708 17.730 12.775) 37.690 11.259 ( 6.508 3.757 2.104) 7.803 12.044 ( 15.699 9.064 10.052) 20.728 12.764 ( 9.810 5.664 -14.030) 18.032 13.184 ( -0.840 -0.485 -1.510) 1.795 14.481 ( -15.820 -9.134 6.096) 19.258 16.370 ( 3.933 2.271 1.346) 4.737======================= Grid point 496 (88/192) =======================q-point: (-0.07 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.530 ( -7.584 -4.378 34.921) 36.002 1.645 ( -10.610 -6.126 33.328) 35.509 2.760 ( -25.597 -14.779 46.197) 54.843 3.924 ( -1.850 -1.068 -15.162) 15.312 4.111 ( -15.436 -8.912 -13.143) 22.146 6.367 ( -1.044 -0.603 0.555) 1.327 6.470 ( -7.396 -4.270 -5.223) 10.011 6.794 ( -1.354 -0.782 -31.330) 31.369 9.299 ( 49.007 28.294 19.746) 59.935 11.381 ( 3.845 2.220 3.102) 5.416 12.063 ( -18.701 -10.797 -2.834) 21.780 13.004 ( 9.874 5.700 -5.218) 12.538 13.166 ( -0.744 -0.430 -2.198) 2.360 14.039 ( -18.438 -10.645 0.412) 21.294 16.560 ( 11.602 6.698 4.352) 14.086======================= Grid point 498 (89/192) =======================q-point: ( 0.07 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.771 ( 10.916 17.795 26.185) 33.488 1.853 ( 7.400 17.342 28.562) 34.224 3.251 ( 16.629 29.750 29.343) 44.974 4.022 ( 6.835 3.689 -13.895) 15.919 4.411 ( 9.989 24.194 -8.965) 27.667 6.375 ( -0.168 1.311 -0.122) 1.328 6.621 ( 7.082 1.787 -13.717) 15.540 6.875 ( 5.228 9.191 -20.118) 22.727 8.611 ( -15.963 -35.299 15.105) 41.581 11.334 ( -0.330 -6.862 2.353) 7.262 12.048 ( -11.620 -5.656 5.391) 14.003 12.909 ( 2.369 -13.866 -9.662) 17.065 13.177 ( -0.692 1.231 -4.154) 4.387 14.425 ( 16.083 19.432 3.496) 25.465 16.283 ( -15.917 -6.969 5.166) 18.127======================= Grid point 499 (90/192) =======================q-point: ( 0.13 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.177 ( 11.550 20.551 20.230) 31.064 2.297 ( 18.973 20.668 16.088) 32.342 3.840 ( 17.847 22.234 5.285) 28.997 4.222 ( 9.256 7.023 -11.262) 16.182 4.956 ( 21.237 26.588 0.580) 34.033 6.394 ( 1.188 0.955 -0.684) 1.671 6.738 ( 6.686 0.913 -11.949) 13.723 7.144 ( 11.134 10.343 -11.570) 19.100 8.096 ( -11.009 -19.547 5.242) 23.038 11.207 ( -5.157 -8.683 1.222) 10.173 11.662 ( -18.041 -13.007 9.307) 24.110 12.753 ( -2.301 -17.988 -10.813) 21.113 13.166 ( -1.640 2.483 -3.264) 4.417 14.872 ( 15.675 9.494 7.788) 19.912 15.945 ( -17.034 0.068 1.450) 17.096======================= Grid point 500 (91/192) =======================q-point: ( 0.20 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.604 ( 11.521 22.012 13.918) 28.477 2.851 ( 19.500 18.175 7.403) 27.665 4.313 ( 14.823 13.407 -11.861) 23.241 4.485 ( 9.716 11.223 -8.236) 16.977 5.654 ( 26.111 24.636 7.085) 36.592 6.439 ( 2.484 1.375 -0.678) 2.919 6.920 ( 11.120 4.468 -3.335) 12.439 7.417 ( 8.923 6.078 -7.005) 12.870 7.794 ( -5.471 -11.334 -0.758) 12.608 10.979 ( -9.244 -10.186 0.458) 13.762 11.212 ( -17.560 -11.225 7.197) 22.049 12.458 ( -9.237 -18.721 -9.117) 22.780 13.193 ( 1.183 3.683 -1.358) 4.100 15.158 ( 9.581 3.082 11.068) 14.960 15.687 ( -13.342 1.550 -4.507) 14.168======================= Grid point 501 (92/192) =======================q-point: ( 0.27 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.015 ( 8.767 22.198 7.632) 25.057 3.331 ( 15.909 14.014 0.654) 21.212 4.642 ( 11.500 5.714 -11.664) 17.348 4.781 ( 8.084 14.242 -7.101) 17.850 6.322 ( 22.713 18.727 6.487) 30.144 6.508 ( 2.997 2.610 -1.024) 4.104 7.220 ( 15.590 6.518 2.303) 17.054 7.514 ( -0.556 -2.898 -8.483) 8.981 7.712 ( 4.297 -1.676 4.471) 6.424 10.700 ( -10.225 -9.104 -0.139) 13.692 10.837 ( -13.187 -7.811 3.451) 15.710 12.064 ( -13.724 -17.644 -6.372) 23.244 13.275 ( 2.861 4.695 -0.522) 5.523 15.286 ( 2.006 1.399 13.762) 13.978 15.503 ( -6.948 -0.857 -10.733) 12.814======================= Grid point 502 (93/192) =======================q-point: ( 0.33 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.351 ( 4.380 20.042 1.907) 20.604 3.714 ( 12.857 12.010 -5.378) 18.397 4.839 ( 6.939 0.501 -4.927) 8.525 5.028 ( 3.103 13.229 -2.919) 13.898 6.583 ( 2.615 3.068 -2.754) 4.882 6.821 ( 15.134 11.832 4.533) 19.737 7.439 ( 0.014 -1.693 -6.762) 6.971 7.560 ( 9.887 2.710 -1.620) 10.379 7.814 ( 8.848 -0.022 13.744) 16.346 10.438 ( -10.525 -6.013 0.643) 12.139 10.620 ( -3.569 -4.219 -0.496) 5.549 11.630 ( -15.331 -15.956 -4.502) 22.581 13.378 ( 2.433 5.529 -0.278) 6.047 15.228 ( -7.646 0.049 6.241) 9.870 15.473 ( 3.851 -1.538 -6.153) 7.420======================= Grid point 503 (94/192) =======================q-point: ( 0.40 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.575 ( 0.282 15.713 -2.817) 15.966 4.041 ( 10.036 11.687 -10.389) 18.581 4.893 ( 0.928 -3.049 1.566) 3.551 5.146 ( -3.479 10.339 2.381) 11.166 6.653 ( 1.538 3.348 -3.758) 5.263 7.108 ( 7.374 5.104 1.775) 9.142 7.426 ( 0.297 -0.940 -5.580) 5.666 7.617 ( -1.622 -1.920 3.505) 4.313 8.022 ( 11.063 -1.175 12.494) 16.729 10.230 ( -6.824 -3.137 1.657) 7.691 10.617 ( 5.017 -0.259 -2.906) 5.804 11.220 ( -13.118 -12.710 -3.789) 18.655 13.463 ( 0.404 5.719 -0.273) 5.740 15.088 ( -6.560 -1.338 2.198) 7.046 15.558 ( 6.333 -0.169 -3.826) 7.401======================= Grid point 504 (95/192) =======================q-point: ( 0.47 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.683 ( -3.792 11.490 -5.359) 13.234 4.261 ( 2.170 5.365 -14.181) 15.316 4.859 ( -0.025 -0.664 6.279) 6.314 5.119 ( -9.440 7.754 4.551) 13.036 6.701 ( 0.060 2.791 -4.044) 4.914 7.182 ( -1.702 -0.613 -1.266) 2.208 7.400 ( -2.675 -2.498 0.291) 3.671 7.542 ( -3.313 -1.898 3.935) 5.483 8.095 ( 1.310 -6.912 10.260) 12.440 10.150 ( -0.375 0.385 1.941) 2.014 10.694 ( 0.395 -3.981 -3.560) 5.355 11.011 ( 3.576 -1.579 -3.620) 5.328 13.501 ( -2.340 4.849 -0.305) 5.393 14.982 ( -3.984 -0.967 1.767) 4.464 15.692 ( 8.432 0.612 -3.784) 9.263======================= Grid point 506 (96/192) =======================q-point: (-0.47 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.669 ( -9.179 7.567 -4.457) 12.704 4.163 ( -11.658 -5.442 -8.435) 15.384 4.859 ( -5.451 -1.891 4.904) 7.572 5.074 ( -1.988 13.346 -2.970) 13.817 6.703 ( -2.019 0.418 -3.509) 4.069 7.046 ( -10.217 -3.705 -2.305) 11.110 7.249 ( -10.008 -5.838 4.853) 12.562 7.468 ( -3.511 -1.699 3.631) 5.329 7.954 ( -5.963 -9.480 6.953) 13.183 10.224 ( 6.043 3.765 1.573) 7.292 10.606 ( -0.925 -3.747 -2.640) 4.676 11.254 ( 16.625 4.690 -3.731) 17.672 13.479 ( -4.591 2.965 -0.289) 5.472 14.928 ( -1.910 0.589 2.185) 2.962 15.861 ( 9.880 0.221 -3.497) 10.483======================= Grid point 507 (97/192) =======================q-point: (-0.40 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.501 ( -16.014 3.066 0.874) 16.328 3.814 ( -18.546 -8.215 -2.187) 20.401 4.656 ( -12.479 -1.199 0.624) 12.552 5.212 ( -0.019 7.479 -16.252) 17.890 6.608 ( -5.981 -7.102 -1.494) 9.405 6.816 ( -11.607 1.522 -0.136) 11.707 6.902 ( -20.346 -8.963 11.106) 24.852 7.392 ( -2.322 -1.182 2.303) 3.477 7.752 ( -6.701 -6.740 0.161) 9.506 10.422 ( 10.229 5.350 0.652) 11.562 10.644 ( 6.852 1.590 -0.047) 7.034 11.619 ( 18.461 4.523 -4.233) 19.473 13.407 ( -5.393 0.870 -0.292) 5.471 14.918 ( -1.281 2.353 3.278) 4.233 16.033 ( 9.788 -1.504 -3.019) 10.353======================= Grid point 508 (98/192) =======================q-point: (-0.33 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.169 ( -22.032 -1.281 8.812) 23.763 3.358 ( -23.080 -8.405 2.664) 24.707 4.436 ( -11.769 0.673 -5.830) 13.152 5.097 ( -15.091 -6.609 -24.824) 29.793 6.319 ( -24.920 -10.036 9.821) 28.604 6.469 ( -7.078 -5.285 6.607) 11.031 6.693 ( -8.274 5.421 1.909) 10.074 7.404 ( 3.735 2.537 -1.482) 4.753 7.570 ( -7.738 -4.471 -4.930) 10.207 10.675 ( 12.257 4.714 0.156) 13.134 10.878 ( 14.321 6.592 3.964) 16.256 11.984 ( 17.767 3.449 -5.978) 19.060 13.317 ( -4.622 -0.518 -0.493) 4.677 14.917 ( -2.621 3.482 5.308) 6.868 16.164 ( 8.062 -4.321 -2.762) 9.555======================= Grid point 509 (99/192) =======================q-point: (-0.27 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.723 ( -24.453 -3.773 16.153) 29.548 2.828 ( -27.138 -7.767 7.662) 29.249 4.251 ( -10.479 1.199 -10.627) 14.973 4.593 ( -27.421 -12.613 -13.255) 32.965 5.680 ( -32.369 -10.445 6.271) 34.586 6.411 ( 0.624 -1.563 0.103) 1.686 6.621 ( -6.501 6.524 0.136) 9.211 7.361 ( -10.918 -2.823 -9.261) 14.593 7.604 ( 12.926 6.274 -0.394) 14.374 10.939 ( 11.797 4.266 0.479) 12.554 11.269 ( 20.954 7.877 8.753) 24.036 12.315 ( 16.009 2.875 -9.244) 18.708 13.242 ( -2.883 -0.892 -1.116) 3.217 14.878 ( -6.553 3.730 7.787) 10.840 16.224 ( 5.729 -7.721 -2.555) 9.948======================= Grid point 510 (100/192) =======================q-point: (-0.20 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.243 ( -25.260 -6.102 19.195) 32.307 2.271 ( -26.085 -3.424 18.112) 31.940 3.900 ( -30.689 -10.267 6.187) 32.947 4.132 ( -10.941 3.366 -11.351) 16.121 5.001 ( -32.161 -8.635 -1.256) 33.323 6.402 ( -0.282 -1.653 -2.068) 2.662 6.609 ( -2.770 6.905 -9.280) 11.894 7.117 ( -13.572 -1.860 -12.596) 18.610 7.999 ( 23.227 8.457 5.785) 25.386 11.166 ( 9.034 3.660 1.204) 9.821 11.739 ( 23.363 3.158 11.614) 26.281 12.615 ( 13.706 4.874 -12.357) 19.087 13.199 ( -1.183 -0.653 -2.371) 2.729 14.737 ( -14.236 3.410 8.232) 16.795 16.226 ( 6.044 -10.442 -0.572) 12.079======================= Grid point 515 (101/192) =======================q-point: ( 0.13 0.13 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.661 ( 10.812 25.334 16.368) 32.041 2.757 ( 14.804 23.601 8.947) 29.261 4.262 ( 8.053 14.947 -11.705) 20.622 4.450 ( 10.161 18.723 -9.386) 23.279 5.556 ( 16.657 30.871 6.388) 35.655 6.410 ( 1.568 0.560 -0.937) 1.911 6.769 ( 9.955 2.315 -2.078) 10.429 7.347 ( 7.088 9.085 -9.078) 14.669 7.728 ( -3.057 -15.687 -0.271) 15.984 10.996 ( -5.506 -11.788 0.192) 13.012 11.343 ( -12.003 -17.305 8.969) 22.891 12.379 ( -5.382 -17.855 -8.975) 20.696 13.220 ( 0.273 3.156 -2.122) 3.813 15.001 ( 10.822 3.431 8.637) 14.265 15.983 ( -15.812 2.101 -2.291) 16.114======================= Grid point 516 (102/192) =======================q-point: ( 0.20 0.13 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.121 ( 10.032 27.186 12.382) 31.513 3.233 ( 13.746 18.785 3.042) 23.475 4.527 ( 8.720 7.707 -12.819) 17.314 4.816 ( 8.015 20.475 -12.610) 25.347 6.171 ( 18.816 24.738 7.580) 31.992 6.472 ( 3.892 2.082 0.780) 4.482 7.012 ( 13.642 4.377 3.399) 14.725 7.486 ( 0.309 -1.968 -6.801) 7.087 7.607 ( 4.184 -3.680 -0.905) 5.645 10.749 ( -7.682 -11.611 -0.627) 13.936 10.979 ( -12.274 -11.636 4.821) 17.586 12.063 ( -8.734 -19.239 -5.943) 21.949 13.285 ( 2.121 5.426 -1.083) 5.926 15.185 ( 8.333 -0.210 7.451) 11.181 15.722 ( -15.241 1.069 -3.762) 15.734======================= Grid point 517 (103/192) =======================q-point: ( 0.27 0.13 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.525 ( 4.425 23.874 8.530) 25.735 3.645 ( 12.157 19.020 -2.184) 22.678 4.719 ( 7.137 1.934 -8.387) 11.181 5.137 ( 4.186 20.103 -9.360) 22.567 6.551 ( 5.184 3.308 -1.709) 6.382 6.709 ( 13.476 16.738 6.822) 22.546 7.331 ( 16.466 3.983 5.346) 17.765 7.421 ( -0.270 -4.850 -7.123) 8.621 7.689 ( 4.712 -1.219 4.566) 6.673 10.521 ( -6.567 -8.157 -1.960) 10.654 10.678 ( -9.482 -7.861 2.295) 12.529 11.686 ( -11.498 -18.656 -3.754) 22.234 13.398 ( 2.944 7.358 -0.412) 7.936 15.301 ( 5.000 -0.410 6.957) 8.577 15.475 ( -11.528 -1.755 -5.990) 13.110======================= Grid point 518 (104/192) =======================q-point: ( 0.33 0.13 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.769 ( 0.126 17.448 1.997) 17.562 4.044 ( 7.994 22.188 -3.773) 23.884 4.813 ( 4.073 -2.958 -1.751) 5.330 5.352 ( -2.549 18.304 -4.195) 18.951 6.659 ( 2.945 4.271 -2.182) 5.628 7.034 ( 8.121 8.618 3.073) 12.234 7.393 ( 1.334 -2.574 -5.471) 6.191 7.587 ( 5.688 0.188 1.644) 5.924 7.776 ( 10.860 -3.912 11.562) 16.338 10.323 ( -7.718 -5.427 -0.509) 9.448 10.541 ( 0.933 -3.339 -1.024) 3.615 11.293 ( -11.879 -16.322 -2.746) 20.373 13.524 ( 1.525 8.590 -0.257) 8.728 15.230 ( -10.373 -0.282 2.132) 10.593 15.424 ( 6.824 -3.022 -3.007) 8.046======================= Grid point 519 (105/192) =======================q-point: ( 0.40 0.13 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.904 ( -3.453 14.922 -1.569) 15.397 4.331 ( 0.395 15.556 -7.073) 17.093 4.828 ( 2.346 -2.241 4.511) 5.557 5.418 ( -9.637 16.298 -0.775) 18.950 6.739 ( 0.475 4.876 -2.757) 5.622 7.176 ( 2.329 1.341 -0.837) 2.815 7.392 ( 0.555 -2.829 -0.304) 2.899 7.582 ( -2.573 -0.869 3.722) 4.607 7.918 ( 8.975 -8.772 8.932) 15.404 10.177 ( -3.426 -2.229 0.363) 4.104 10.596 ( 5.779 -1.984 -2.356) 6.548 10.977 ( -5.719 -10.265 -2.601) 12.035 13.612 ( -1.824 8.405 -0.373) 8.609 15.067 ( -6.843 -0.721 1.103) 6.969 15.533 ( 8.321 -2.238 -2.660) 9.018======================= Grid point 520 (106/192) =======================q-point: (-0.53 0.13 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.948 ( -8.298 13.428 -2.696) 16.013 4.316 ( -10.021 -0.121 -5.900) 11.630 4.882 ( 1.264 2.276 5.790) 6.348 5.385 ( -11.974 18.104 -2.587) 21.859 6.760 ( -2.768 2.147 -2.832) 4.505 7.151 ( -4.358 -1.954 -2.581) 5.428 7.323 ( -4.366 -4.350 4.213) 7.466 7.521 ( -3.730 -0.415 3.649) 5.234 7.889 ( 0.806 -12.204 6.540) 13.869 10.170 ( 3.144 1.329 0.253) 3.422 10.578 ( -1.554 -5.994 -2.236) 6.583 11.009 ( 13.186 0.399 -2.533) 13.433 13.621 ( -5.646 6.223 -0.406) 8.413 14.981 ( -3.119 1.180 1.349) 3.598 15.669 ( 9.832 -2.954 -2.738) 10.625======================= Grid point 521 (107/192) =======================q-point: (-0.47 0.13 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.866 ( -15.694 10.870 0.105) 19.091 4.046 ( -15.762 -5.409 -2.718) 16.884 4.828 ( -7.309 -1.667 3.124) 8.122 5.401 ( -8.157 16.840 -10.692) 21.551 6.661 ( -6.774 -5.252 -2.175) 8.843 7.020 ( -8.871 2.140 -0.443) 9.137 7.132 ( -13.000 -4.884 6.874) 15.495 7.432 ( -4.061 -2.090 4.810) 6.633 7.756 ( -2.364 -8.539 1.375) 8.966 10.303 ( 8.300 3.471 -0.661) 9.021 10.545 ( 3.895 -1.823 -0.711) 4.359 11.316 ( 18.623 1.520 -2.584) 18.863 13.546 ( -7.784 2.960 -0.314) 8.334 14.973 ( -1.168 3.981 1.802) 4.523 15.812 ( 10.683 -5.031 -2.388) 12.048======================= Grid point 522 (108/192) =======================q-point: (-0.40 0.13 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.600 ( -23.550 5.378 7.267) 25.226 3.674 ( -19.842 -5.107 -0.490) 20.495 4.652 ( -10.374 0.108 -3.638) 10.994 5.320 ( -14.465 1.725 -20.517) 25.163 6.473 ( -6.616 -3.796 1.968) 7.878 6.747 ( -23.183 -5.462 10.521) 26.038 6.913 ( -8.936 6.816 3.373) 11.734 7.380 ( 0.441 -0.000 0.866) 0.972 7.639 ( -4.299 -3.574 -3.470) 6.580 10.504 ( 10.701 2.379 -1.569) 11.074 10.697 ( 11.899 3.247 2.236) 12.535 11.671 ( 19.546 0.974 -3.533) 19.887 13.423 ( -7.446 0.368 -0.440) 7.468 15.005 ( -1.495 6.107 3.232) 7.069 15.933 ( 10.140 -8.121 -2.214) 13.179======================= Grid point 523 (109/192) =======================q-point: (-0.33 0.13 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.169 ( -27.253 0.022 13.039) 30.212 3.238 ( -24.518 -3.151 3.352) 24.946 4.474 ( -11.267 2.269 -9.726) 15.056 4.931 ( -23.230 -7.988 -19.782) 31.540 6.173 ( -29.919 -3.963 8.278) 31.295 6.429 ( -3.407 0.953 3.666) 5.095 6.832 ( -8.831 7.924 3.659) 12.416 7.467 ( 6.826 2.128 -2.633) 7.620 7.518 ( -6.698 1.030 -6.000) 9.051 10.740 ( 13.509 1.739 -0.565) 13.632 10.993 ( 16.788 3.414 5.170) 17.895 12.024 ( 18.954 1.386 -5.858) 19.887 13.304 ( -5.392 -0.862 -1.041) 5.559 15.029 ( -3.826 7.140 5.932) 10.040 15.995 ( 8.151 -11.673 -2.497) 14.454======================= Grid point 531 (110/192) =======================q-point: ( 0.20 0.20 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.601 ( 8.088 17.858 2.484) 19.761 3.672 ( 14.150 24.519 8.663) 29.605 4.656 ( 4.208 5.424 -8.397) 10.846 5.269 ( 6.356 22.354 -16.864) 28.714 6.479 ( 5.595 3.164 0.310) 6.435 6.684 ( 10.967 20.501 9.555) 25.137 7.088 ( 13.618 2.840 5.917) 15.117 7.389 ( -0.954 -3.521 -2.888) 4.653 7.621 ( 2.874 1.692 -2.126) 3.955 10.529 ( -5.071 -9.577 -2.136) 11.045 10.736 ( -7.288 -11.797 2.540) 14.098 11.682 ( -9.847 -17.975 -3.177) 20.740 13.418 ( 3.520 7.558 -0.515) 8.353 15.155 ( 7.759 -2.569 3.189) 8.773 15.717 ( -15.128 -1.621 -1.881) 15.331======================= Grid point 532 (111/192) =======================q-point: ( 0.27 0.20 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.875 ( 4.526 14.113 -0.500) 14.830 4.162 ( 11.409 25.791 8.443) 29.438 4.733 ( 1.418 0.113 -4.725) 4.934 5.581 ( 1.794 22.555 -11.783) 25.510 6.611 ( 6.345 2.527 -0.257) 6.835 7.017 ( 6.314 12.894 5.392) 15.336 7.324 ( 5.645 -2.951 -2.144) 6.721 7.393 ( 9.455 0.383 5.330) 10.861 7.656 ( 1.473 -1.717 2.297) 3.224 10.366 ( -4.501 -7.285 -2.955) 9.059 10.525 ( -4.187 -6.305 0.885) 7.621 11.318 ( -10.564 -17.056 -1.614) 20.128 13.572 ( 3.572 9.345 -0.223) 10.007 15.257 ( 7.541 -3.742 -0.134) 8.419 15.442 ( -13.653 -1.473 -0.174) 13.733======================= Grid point 533 (112/192) =======================q-point: ( 0.33 0.20 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.058 ( 1.175 12.267 -1.945) 12.476 4.561 ( 0.489 24.777 6.386) 25.591 4.727 ( 3.778 -4.888 0.732) 6.222 5.767 ( -6.670 22.013 -7.569) 24.215 6.752 ( 4.988 4.555 -0.971) 6.824 7.162 ( 0.535 3.344 -0.002) 3.386 7.329 ( 2.319 -3.585 -0.011) 4.270 7.573 ( 6.864 -3.087 4.618) 8.830 7.665 ( 4.747 -4.905 5.509) 8.772 10.211 ( -4.392 -5.395 -1.784) 7.182 10.490 ( 3.571 -1.423 -1.094) 3.997 10.982 ( -8.463 -13.686 -1.179) 16.134 13.716 ( 1.006 9.642 -0.372) 9.701 15.207 ( -9.630 -1.825 -0.893) 9.842 15.361 ( 7.297 -3.044 -0.039) 7.907======================= Grid point 534 (113/192) =======================q-point: ( 0.40 0.20 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.170 ( -2.321 11.174 -3.202) 11.853 4.531 ( -10.910 1.516 0.962) 11.057 4.888 ( 3.160 8.632 8.893) 12.790 5.815 ( -12.390 22.151 -6.414) 26.179 6.838 ( -2.076 3.719 -1.314) 4.457 7.150 ( 0.965 -3.760 -3.997) 5.572 7.326 ( -0.233 -2.408 5.015) 5.568 7.573 ( -1.714 -2.438 4.706) 5.570 7.697 ( 5.558 -9.904 3.813) 11.980 10.136 ( 0.537 -1.753 -1.588) 2.426 10.538 ( 0.726 -3.315 -1.270) 3.623 10.820 ( 4.822 -5.192 -1.277) 7.200 13.782 ( -3.890 7.561 -0.591) 8.524 15.067 ( -5.321 1.052 0.526) 5.449 15.464 ( 8.607 -4.482 -1.417) 9.807======================= Grid point 536 (114/192) =======================q-point: (-0.53 0.20 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.175 ( -8.356 4.789 -5.260) 10.974 4.317 ( -15.115 4.681 4.578) 16.472 4.908 ( -4.812 -0.722 7.367) 8.829 5.802 ( -14.069 19.944 -9.657) 26.248 6.730 ( -7.127 -5.654 -1.766) 9.267 7.151 ( -2.028 3.210 -0.992) 3.925 7.259 ( -5.290 -1.231 5.199) 7.519 7.474 ( -3.749 -6.390 6.222) 9.675 7.673 ( 1.731 -5.857 0.760) 6.155 10.197 ( 6.297 1.203 -1.950) 6.701 10.481 ( 0.107 -3.167 -0.888) 3.291 11.009 ( 16.172 -0.433 -1.109) 16.215 13.728 ( -8.393 3.716 -0.427) 9.189 15.040 ( -1.436 4.746 0.508) 4.984 15.569 ( 9.529 -6.671 -1.267) 11.701======================= Grid point 537 (115/192) =======================q-point: (-0.47 0.20 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.943 ( -15.510 -3.850 -2.222) 16.135 4.087 ( -22.282 8.797 7.398) 25.072 4.774 ( -5.734 -3.482 -0.384) 6.720 5.656 ( -18.481 4.952 -15.616) 24.696 6.558 ( -6.080 -1.680 0.919) 6.375 7.051 ( -14.500 -2.044 5.627) 15.688 7.138 ( -7.797 7.722 4.650) 11.918 7.377 ( -0.884 -2.648 2.768) 3.931 7.648 ( -0.223 -1.823 -1.393) 2.305 10.353 ( 8.662 1.388 -2.851) 9.224 10.531 ( 7.922 -0.009 0.863) 7.969 11.326 ( 19.368 -0.213 -1.535) 19.430 13.583 ( -9.730 0.601 -0.258) 9.752 15.091 ( -0.456 7.341 0.869) 7.406 15.660 ( 9.874 -9.568 -1.060) 13.790======================= Grid point 548 (116/192) =======================q-point: ( 0.27 0.27 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.146 ( 2.707 12.145 -2.715) 12.736 4.513 ( 14.745 4.848 5.485) 16.462 4.823 ( -2.492 11.479 6.844) 13.595 6.019 ( 7.016 18.633 -13.228) 23.904 6.661 ( 5.317 3.089 0.710) 6.190 7.222 ( 3.199 5.668 3.697) 7.485 7.286 ( -2.151 -0.525 0.139) 2.219 7.353 ( 4.955 -3.449 4.819) 7.725 7.639 ( 0.247 0.192 1.981) 2.006 10.216 ( -3.380 -6.919 -2.982) 8.257 10.450 ( -0.286 -0.770 -0.401) 0.914 10.995 ( -9.113 -14.236 -0.441) 16.909 13.762 ( 4.480 8.604 -0.378) 9.708 15.170 ( 6.300 -4.046 -1.268) 7.594 15.407 ( -11.176 -2.086 0.683) 11.389======================= Grid point 549 (117/192) =======================q-point: ( 0.33 0.27 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.291 ( 0.560 10.408 -2.513) 10.721 4.603 ( -0.303 -6.283 -0.082) 6.291 4.987 ( 1.348 14.695 16.158) 21.882 6.236 ( -6.660 22.840 -10.377) 25.956 6.831 ( 9.466 2.757 -0.377) 9.867 7.112 ( -7.256 -8.515 -2.793) 11.531 7.298 ( 1.815 0.696 4.188) 4.617 7.413 ( 5.902 -8.849 2.984) 11.048 7.652 ( -0.113 1.210 4.240) 4.411 10.115 ( -1.288 -3.618 -3.071) 4.917 10.492 ( 3.013 1.844 -0.640) 3.590 10.740 ( -4.253 -9.981 -0.274) 10.853 13.891 ( 0.405 6.741 -0.783) 6.799 15.176 ( -4.542 -0.501 -0.866) 4.651 15.295 ( 3.743 -3.581 0.559) 5.210======================= Grid point 550 (118/192) =======================q-point: (-0.60 0.27 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.334 ( -6.300 2.848 -3.639) 7.813 4.523 ( -2.351 1.664 1.777) 3.384 5.032 ( -7.519 2.899 15.598) 17.557 6.260 ( -14.755 17.384 -10.609) 25.148 6.797 ( -7.946 -7.051 -1.226) 10.694 7.125 ( 9.834 2.498 -1.126) 10.209 7.310 ( -0.903 0.685 3.948) 4.107 7.378 ( 1.712 -10.196 2.924) 10.744 7.651 ( -1.041 0.668 3.731) 3.931 10.112 ( 3.433 -0.508 -3.104) 4.656 10.486 ( -3.323 -1.257 -0.583) 3.600 10.749 ( 11.409 -1.969 -0.278) 11.581 13.894 ( -5.734 2.842 -0.801) 6.449 15.122 ( -2.470 4.319 -0.113) 4.977 15.354 ( 7.045 -6.034 -0.158) 9.277======================= Grid point 564 (119/192) =======================q-point: ( 0.33 0.33 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 309Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.470 ( -2.932 -5.865 -1.318) 6.688 4.470 ( 2.932 5.865 -1.318) 6.688 5.138 ( -0.000 -0.000 19.432) 19.432 6.563 ( -0.000 -0.000 -11.373) 11.373 6.896 ( -3.781 -7.563 -1.516) 8.590 6.896 ( 3.781 7.563 -1.516) 8.590 7.314 ( -0.231 -0.461 2.909) 2.954 7.314 ( 0.231 0.461 2.909) 2.954 7.668 ( -0.000 -0.000 5.046) 5.046 10.076 ( -0.000 -0.000 -3.621) 3.621 10.573 ( -2.793 -5.585 -0.198) 6.248 10.573 ( 2.793 5.585 -0.198) 6.248 13.964 ( -0.000 -0.000 -1.079) 1.079 15.212 ( -1.957 -3.914 0.062) 4.376 15.212 ( 1.957 3.914 0.062) 4.376======================= Grid point 723 (120/192) =======================q-point: ( 0.00 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 184Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.127 ( 0.000 -0.000 28.272) 28.272 2.127 ( 0.000 0.000 28.272) 28.272 3.478 ( 0.000 -0.000 49.896) 49.896 3.585 ( 0.000 -0.000 -17.729) 17.729 3.585 ( 0.000 0.000 -17.729) 17.729 6.053 ( 0.000 -0.000 -38.620) 38.620 6.364 ( 0.000 -0.000 0.417) 0.417 6.364 ( 0.000 0.000 0.417) 0.417 10.413 ( 0.000 -0.000 5.515) 5.515 11.504 ( 0.000 -0.000 2.677) 2.677 11.504 ( -0.000 0.000 2.677) 2.677 13.099 ( 0.000 -0.000 -1.943) 1.943 13.099 ( 0.000 0.000 -1.943) 1.943 13.783 ( 0.000 0.000 -0.537) 0.537 16.766 ( -0.000 0.000 0.436) 0.436======================= Grid point 724 (121/192) =======================q-point: ( 0.07 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.175 ( 5.206 3.006 27.278) 27.933 2.229 ( 7.404 4.275 30.591) 31.763 3.391 ( 0.763 0.440 5.472) 5.542 3.658 ( 5.091 2.939 -17.461) 18.424 3.974 ( 24.674 14.246 17.705) 33.544 6.094 ( 3.892 2.247 -34.905) 35.193 6.367 ( 0.451 0.261 0.521) 0.737 6.488 ( 9.826 5.673 -1.572) 11.455 9.575 ( -46.035 -26.578 7.801) 53.726 11.482 ( -2.878 -1.662 1.590) 3.684 11.986 ( 16.810 9.705 2.978) 19.637 13.010 ( -7.388 -4.266 -5.335) 10.062 13.085 ( -0.312 -0.180 -1.019) 1.081 14.044 ( 21.334 12.317 -0.616) 24.642 16.578 ( -14.538 -8.394 2.642) 16.994======================= Grid point 725 (122/192) =======================q-point: ( 0.13 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.358 ( 9.864 5.695 23.398) 26.023 2.483 ( 13.977 8.070 30.892) 34.854 3.515 ( 8.873 5.123 -13.316) 16.802 3.827 ( 9.193 5.308 -16.064) 19.254 4.659 ( 32.018 18.486 19.803) 41.941 6.250 ( 9.414 5.435 -27.177) 29.270 6.385 ( 1.065 0.615 0.601) 1.368 6.791 ( 14.891 8.598 -4.052) 17.666 8.621 ( -33.281 -19.215 3.961) 38.633 11.366 ( -6.964 -4.021 0.396) 8.051 12.031 ( -10.653 -6.151 10.159) 15.954 12.792 ( -10.460 -6.039 -12.868) 17.648 13.091 ( 0.927 0.535 -0.038) 1.071 14.637 ( 24.719 14.271 -0.993) 28.560 16.181 ( -17.028 -9.831 6.692) 20.770======================= Grid point 726 (123/192) =======================q-point: ( 0.20 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.618 ( 11.663 6.734 17.584) 22.149 2.857 ( 16.555 9.558 23.606) 30.376 3.790 ( 14.387 8.306 -20.634) 26.490 4.088 ( 12.738 7.354 -13.510) 19.972 5.431 ( 32.205 18.594 16.882) 40.840 6.418 ( 1.664 0.961 0.636) 2.024 6.536 ( 14.632 8.448 -18.947) 25.386 7.149 ( 14.451 8.343 -4.932) 17.400 8.005 ( -19.076 -11.014 -1.958) 22.114 11.157 ( -10.509 -6.067 -0.229) 12.137 11.622 ( -21.364 -12.335 10.288) 26.729 12.521 ( -12.572 -7.258 -12.810) 19.361 13.132 ( 2.527 1.459 0.530) 2.966 15.100 ( 13.730 7.927 -2.667) 16.076 15.833 ( -11.946 -6.897 10.591) 17.391======================= Grid point 727 (124/192) =======================q-point: ( 0.27 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.890 ( 11.032 6.370 11.090) 16.890 3.219 ( 13.566 7.832 11.865) 19.651 4.186 ( 18.409 10.629 -15.902) 26.547 4.415 ( 14.504 8.374 -10.003) 19.508 6.136 ( 26.651 15.387 11.534) 32.865 6.462 ( 2.020 1.166 0.469) 2.379 6.924 ( 17.590 10.155 -12.955) 24.091 7.389 ( 2.640 1.524 -5.687) 6.453 7.755 ( 0.365 0.211 -2.434) 2.470 10.882 ( -12.364 -7.138 -0.072) 14.276 11.117 ( -19.850 -11.460 5.910) 23.670 12.192 ( -15.329 -8.850 -8.695) 19.721 13.207 ( 3.714 2.144 0.595) 4.330 15.283 ( 1.899 1.096 -8.213) 8.500 15.628 ( -5.170 -2.985 15.902) 16.986======================= Grid point 728 (125/192) =======================q-point: ( 0.33 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.129 ( 8.971 5.179 4.984) 11.495 3.501 ( 10.609 6.125 2.697) 12.543 4.605 ( 15.764 9.101 -7.576) 19.716 4.751 ( 13.340 7.702 -5.880) 16.487 6.510 ( 1.947 1.124 -0.141) 2.253 6.668 ( 18.213 10.515 4.604) 21.528 7.316 ( 9.199 5.311 -11.763) 15.849 7.352 ( 3.713 2.144 -3.619) 5.611 7.936 ( 10.631 6.138 3.225) 12.692 10.592 ( -11.776 -6.799 0.571) 13.610 10.735 ( -11.796 -6.811 1.647) 13.720 11.802 ( -17.424 -10.060 -5.255) 20.795 13.300 ( 3.954 2.283 0.396) 4.582 15.235 ( -4.303 -2.484 -7.502) 8.998 15.567 ( -1.038 -0.599 13.201) 13.255======================= Grid point 729 (126/192) =======================q-point: ( 0.40 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.309 ( 6.243 3.604 -0.058) 7.209 3.730 ( 8.835 5.101 -3.067) 10.652 4.886 ( 7.628 4.404 -1.147) 8.882 5.018 ( 8.737 5.044 -1.403) 10.186 6.552 ( 1.601 0.925 -1.343) 2.285 6.992 ( 9.097 5.252 -1.926) 10.679 7.337 ( 2.425 1.400 -2.479) 3.740 7.600 ( 6.857 3.959 -4.171) 8.949 8.181 ( 9.331 5.388 6.317) 12.490 10.347 ( -8.550 -4.936 1.260) 9.952 10.577 ( -1.561 -0.901 -1.397) 2.281 11.385 ( -17.308 -9.993 -3.314) 20.259 13.385 ( 3.083 1.780 0.149) 3.563 15.127 ( -4.407 -2.545 -3.220) 6.022 15.559 ( 0.524 0.302 6.003) 6.033======================= Grid point 730 (127/192) =======================q-point: ( 0.47 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.421 ( 3.210 1.853 -3.633) 5.189 3.910 ( 5.917 3.416 -8.304) 10.754 4.977 ( 0.776 0.448 3.449) 3.563 5.140 ( 1.208 0.697 2.866) 3.187 6.586 ( 1.291 0.746 -2.805) 3.177 7.109 ( 1.339 0.773 -4.548) 4.804 7.414 ( 2.772 1.600 0.882) 3.320 7.660 ( -1.257 -0.726 2.066) 2.524 8.333 ( 2.664 1.538 6.601) 7.283 10.205 ( -3.142 -1.814 1.671) 3.994 10.633 ( 4.496 2.596 -2.829) 5.913 11.030 ( -10.730 -6.195 -2.713) 12.684 13.438 ( 1.294 0.747 -0.077) 1.496 15.037 ( -3.127 -1.806 0.104) 3.613 15.603 ( 3.375 1.948 -0.424) 3.920======================= Grid point 731 (128/192) =======================q-point: (-0.47 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.460 ( -0.025 -0.015 -5.398) 5.398 3.979 ( -0.764 -0.441 -11.401) 11.435 4.966 ( -0.912 -0.526 3.909) 4.048 5.070 ( -6.965 -4.021 5.797) 9.914 6.610 ( 0.653 0.377 -3.656) 3.733 7.063 ( -5.270 -3.043 -2.827) 6.710 7.420 ( -2.974 -1.717 2.416) 4.198 7.575 ( -5.036 -2.908 4.352) 7.263 8.283 ( -6.868 -3.965 8.334) 11.504 10.205 ( 3.098 1.789 1.679) 3.952 10.621 ( -4.452 -2.570 -2.243) 5.608 11.052 ( 11.497 6.638 -3.648) 13.768 13.443 ( -0.859 -0.496 -0.286) 1.032 14.983 ( -1.375 -0.794 2.369) 2.852 15.719 ( 6.233 3.599 -5.131) 8.840======================= Grid point 732 (129/192) =======================q-point: (-0.40 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.418 ( -3.553 -2.051 -4.851) 6.353 3.862 ( -8.819 -5.092 -7.539) 12.670 4.830 ( -12.789 -7.384 6.442) 16.112 4.931 ( -3.138 -1.812 -4.929) 6.118 6.611 ( -0.700 -0.404 -3.530) 3.622 6.877 ( -9.421 -5.439 1.169) 10.941 7.248 ( -11.864 -6.850 7.153) 15.455 7.456 ( -4.809 -2.777 0.112) 5.554 8.037 ( -12.871 -7.431 10.097) 17.967 10.343 ( 8.293 4.788 1.390) 9.676 10.588 ( 2.891 1.669 -1.588) 3.697 11.396 ( 15.931 9.198 -3.655) 18.756 13.401 ( -2.615 -1.510 -0.491) 3.059 14.971 ( 0.264 0.153 4.058) 4.070 15.883 ( 7.273 4.199 -8.014) 11.608======================= Grid point 733 (130/192) =======================q-point: (-0.33 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.288 ( -7.548 -4.358 -1.089) 8.783 3.590 ( -13.664 -7.889 1.031) 15.811 4.497 ( -14.696 -8.485 3.982) 17.430 4.757 ( -12.282 -7.091 -18.220) 23.089 6.577 ( -2.088 -1.205 -2.792) 3.689 6.674 ( -7.320 -4.226 4.829) 9.734 6.851 ( -21.687 -12.521 10.963) 27.336 7.361 ( -2.543 -1.468 -2.591) 3.916 7.729 ( -12.256 -7.076 8.273) 16.392 10.578 ( 11.131 6.426 1.133) 12.902 10.774 ( 12.813 7.397 0.500) 14.803 11.766 ( 14.851 8.574 -3.582) 17.519 13.328 ( -3.382 -1.953 -0.742) 3.975 14.988 ( 0.889 0.513 5.707) 5.798 16.044 ( 5.989 3.458 -9.534) 11.778======================= Grid point 734 (131/192) =======================q-point: (-0.27 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.061 ( -11.449 -6.610 6.289) 14.640 3.230 ( -16.655 -9.616 11.936) 22.635 4.165 ( -12.950 -7.477 -1.945) 15.080 4.375 ( -18.582 -10.728 -26.543) 34.131 6.232 ( -29.580 -17.078 16.029) 37.730 6.513 ( -7.562 -4.366 -0.346) 8.739 6.518 ( -2.737 -1.580 -1.833) 3.653 7.316 ( -5.844 -3.374 -3.608) 7.652 7.547 ( 2.304 1.330 5.143) 5.791 10.849 ( 11.443 6.606 1.275) 13.274 11.185 ( 21.674 12.513 4.184) 25.374 12.082 ( 11.687 6.748 -4.459) 14.213 13.249 ( -3.080 -1.778 -1.135) 3.733 14.993 ( -1.041 -0.601 7.247) 7.346 16.156 ( 3.528 2.037 -9.876) 10.683======================= Grid point 735 (132/192) =======================q-point: (-0.20 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.764 ( -13.229 -7.638 14.910) 21.346 2.814 ( -18.000 -10.392 23.029) 31.022 3.897 ( -9.619 -5.554 -8.944) 14.261 3.944 ( -16.987 -9.807 -24.998) 31.775 5.480 ( -33.313 -19.233 17.477) 42.251 6.324 ( -7.899 -4.560 -10.484) 13.896 6.455 ( -2.493 -1.439 -0.918) 3.021 7.065 ( -12.830 -7.408 -3.063) 15.129 7.863 ( 21.779 12.574 4.062) 25.474 11.104 ( 9.865 5.696 1.911) 11.551 11.766 ( 26.233 15.146 8.919) 31.577 12.311 ( 7.635 4.408 -7.733) 11.728 13.187 ( -2.172 -1.254 -1.695) 3.028 14.898 ( -8.147 -4.704 6.961) 11.703 16.227 ( 3.255 1.879 -7.808) 8.666======================= Grid point 736 (133/192) =======================q-point: (-0.13 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.421 ( -14.168 -8.180 30.385) 34.509 2.463 ( -11.698 -6.754 21.817) 25.660 3.598 ( -11.800 -6.813 -12.260) 18.329 3.710 ( -6.206 -3.583 -14.040) 15.763 4.694 ( -32.316 -18.657 17.796) 41.341 6.165 ( -5.225 -3.017 -23.222) 23.993 6.404 ( -1.703 -0.983 -0.219) 1.978 6.752 ( -13.081 -7.553 -3.469) 15.498 8.548 ( 36.263 20.937 7.251) 42.497 11.308 ( 7.252 4.187 2.702) 8.799 12.258 ( 6.565 3.790 11.087) 13.430 12.520 ( 16.184 9.344 -11.126) 21.749 13.146 ( -1.331 -0.768 -2.224) 2.703 14.565 ( -20.130 -11.622 2.997) 23.436 16.356 ( 8.356 4.825 -2.340) 9.929======================= Grid point 737 (134/192) =======================q-point: (-0.07 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 480Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.179 ( -6.061 -3.499 31.002) 31.782 2.232 ( -7.421 -4.284 26.309) 27.669 3.419 ( -2.525 -1.458 8.391) 8.883 3.605 ( -2.677 -1.545 -16.758) 17.041 4.000 ( -25.289 -14.601 14.483) 32.596 6.079 ( -2.225 -1.284 -33.908) 34.005 6.375 ( -0.836 -0.483 0.207) 0.987 6.479 ( -9.180 -5.300 -1.658) 10.729 9.560 ( 47.657 27.515 8.537) 55.688 11.444 ( 4.213 2.432 3.080) 5.758 12.055 ( -21.885 -12.635 0.426) 25.274 12.932 ( 13.568 7.833 -2.130) 15.811 13.120 ( -0.942 -0.544 -2.378) 2.615 14.038 ( -20.271 -11.703 -0.252) 23.408 16.606 ( 11.173 6.451 1.046) 12.943======================= Grid point 739 (135/192) =======================q-point: ( 0.07 0.07 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.321 ( 4.874 11.658 27.632) 30.384 2.398 ( 7.159 11.766 27.678) 30.915 3.486 ( 2.170 8.857 -8.588) 12.527 3.733 ( 7.768 5.572 -15.384) 18.112 4.475 ( 16.546 31.463 18.718) 40.175 6.160 ( 5.247 4.194 -27.118) 27.937 6.397 ( 0.764 2.519 -0.638) 2.709 6.680 ( 8.488 12.335 -3.338) 15.341 8.817 ( -20.413 -39.946 6.782) 45.369 11.377 ( -1.566 -7.348 1.877) 7.744 12.176 ( -7.430 2.909 7.117) 10.692 12.736 ( -0.623 -19.419 -8.014) 21.017 13.117 ( -1.333 1.696 -2.236) 3.107 14.458 ( 16.058 23.843 0.588) 28.752 16.352 ( -12.500 -11.192 2.227) 16.925======================= Grid point 740 (136/192) =======================q-point: ( 0.13 0.07 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.571 ( 7.377 15.027 20.179) 26.218 2.719 ( 12.865 14.476 26.049) 32.459 3.679 ( 8.172 10.589 -19.728) 23.835 3.972 ( 10.505 9.245 -14.157) 19.905 5.162 ( 24.327 28.985 18.093) 41.944 6.328 ( 7.792 2.368 -11.893) 14.414 6.477 ( 4.226 8.019 -7.956) 12.061 6.996 ( 12.706 10.897 -4.605) 17.360 8.155 ( -16.552 -23.702 1.126) 28.931 11.225 ( -6.052 -9.220 0.450) 11.038 11.865 ( -19.208 -11.916 11.493) 25.358 12.529 ( -2.764 -16.538 -12.319) 20.806 13.126 ( 0.336 2.313 -1.024) 2.552 14.950 ( 15.179 13.771 0.982) 20.518 16.010 ( -14.728 -6.019 4.646) 16.575======================= Grid point 741 (137/192) =======================q-point: ( 0.20 0.07 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.871 ( 7.013 17.687 13.237) 23.179 3.098 ( 12.188 13.624 17.536) 25.331 3.993 ( 14.697 11.162 -19.784) 27.056 4.288 ( 12.310 12.235 -11.553) 20.849 5.874 ( 24.268 23.548 14.185) 36.669 6.434 ( 3.336 1.591 -0.235) 3.704 6.749 ( 13.569 11.157 -12.922) 21.808 7.307 ( 10.065 6.571 -4.572) 12.860 7.758 ( -6.540 -11.825 -2.969) 13.835 10.982 ( -9.379 -10.691 -0.145) 14.223 11.361 ( -20.789 -13.409 7.780) 25.933 12.274 ( -7.906 -15.217 -9.416) 19.563 13.180 ( 2.476 3.277 -0.014) 4.107 15.244 ( 6.953 5.181 -1.873) 8.871 15.732 ( -10.978 -3.101 8.619) 14.297======================= Grid point 742 (138/192) =======================q-point: ( 0.27 0.07 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.165 ( 3.788 20.318 7.300) 21.919 3.406 ( 9.033 10.242 6.978) 15.336 4.399 ( 17.424 9.568 -11.477) 22.954 4.641 ( 11.924 13.847 -8.183) 20.022 6.440 ( 13.692 9.441 4.156) 17.143 6.531 ( 7.162 10.010 4.416) 13.077 7.132 ( 16.299 9.501 -10.384) 21.535 7.370 ( -2.571 -2.290 -5.287) 6.309 7.771 ( 11.275 0.779 0.324) 11.306 10.696 ( -9.892 -10.448 -0.256) 14.390 10.908 ( -16.256 -9.245 3.644) 19.053 11.939 ( -12.280 -14.847 -5.934) 20.161 13.273 ( 3.268 4.510 0.303) 5.578 15.305 ( -3.136 0.878 -8.175) 8.800 15.574 ( -3.226 -2.753 14.055) 14.681======================= Grid point 743 (139/192) =======================q-point: ( 0.33 0.07 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.403 ( -1.267 21.193 2.997) 21.441 3.649 ( 8.148 8.382 -0.592) 11.705 4.748 ( 12.651 4.642 -3.516) 13.927 4.967 ( 8.236 13.260 -4.295) 16.190 6.550 ( 1.514 3.053 -0.553) 3.452 6.884 ( 10.955 9.899 1.503) 14.841 7.317 ( 0.940 -0.208 -4.978) 5.070 7.485 ( 11.401 5.834 -5.697) 14.016 8.005 ( 12.999 0.253 5.016) 13.936 10.442 ( -8.396 -7.177 -0.085) 11.045 10.621 ( -7.175 -4.849 0.559) 8.678 11.548 ( -14.668 -14.161 -3.545) 20.694 13.377 ( 2.425 5.477 0.251) 5.995 15.205 ( -6.433 -0.842 -5.770) 8.682 15.534 ( 0.877 -2.497 9.492) 9.854======================= Grid point 744 (140/192) =======================q-point: ( 0.40 0.07 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.550 ( -4.986 18.461 0.069) 19.123 3.866 ( 5.893 8.765 -6.557) 12.432 4.928 ( 5.228 0.157 1.850) 5.548 5.175 ( 1.305 9.941 0.045) 10.026 6.598 ( 0.136 3.695 -1.666) 4.055 7.080 ( 4.065 3.185 -3.753) 6.384 7.377 ( 3.576 2.319 0.033) 4.262 7.644 ( 2.890 0.480 -0.939) 3.076 8.206 ( 10.225 -3.114 6.053) 12.283 10.256 ( -5.619 -3.912 0.922) 6.909 10.568 ( 3.371 -0.302 -1.999) 3.931 11.157 ( -13.221 -11.653 -2.404) 17.787 13.461 ( 0.284 5.655 0.051) 5.662 15.090 ( -4.934 -1.297 -1.714) 5.382 15.549 ( 3.136 -1.248 2.705) 4.326======================= Grid point 745 (141/192) =======================q-point: ( 0.47 0.07 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.610 ( -7.464 14.977 -2.049) 16.859 4.007 ( 0.326 6.217 -11.020) 12.657 4.967 ( 0.542 -0.822 4.416) 4.524 5.205 ( -6.921 5.568 3.697) 9.621 6.631 ( -0.720 3.570 -2.852) 4.625 7.112 ( -1.926 -0.574 -3.901) 4.388 7.435 ( 0.274 0.239 1.578) 1.619 7.621 ( -3.215 -2.617 3.845) 5.654 8.263 ( 2.085 -8.250 6.685) 10.822 10.183 ( 0.184 -0.573 1.295) 1.428 10.635 ( 0.460 -2.947 -2.300) 3.766 10.946 ( 2.576 -1.206 -2.814) 4.001 13.496 ( -2.417 4.740 -0.193) 5.324 15.011 ( -2.718 -0.701 1.188) 3.048 15.626 ( 6.179 0.152 -2.737) 6.760======================= Grid point 747 (142/192) =======================q-point: (-0.47 0.07 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.592 ( -9.990 11.658 -3.004) 15.644 3.977 ( -7.462 0.146 -9.847) 12.356 4.940 ( -3.814 -2.235 2.433) 5.046 5.069 ( -11.867 4.351 2.718) 12.928 6.638 ( -1.948 1.682 -3.075) 4.010 7.002 ( -8.142 -2.361 -1.181) 8.559 7.359 ( -7.117 -4.263 4.795) 9.583 7.517 ( -4.805 -2.265 2.144) 5.728 8.114 ( -6.423 -11.881 8.758) 16.097 10.251 ( 6.160 2.420 1.095) 6.708 10.563 ( -0.309 -2.478 -1.654) 2.996 11.182 ( 16.102 5.499 -3.361) 17.343 13.472 ( -4.633 2.881 -0.403) 5.471 14.982 ( -0.727 0.834 3.142) 3.331 15.763 ( 8.531 0.438 -6.322) 10.628======================= Grid point 748 (143/192) =======================q-point: (-0.40 0.07 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.490 ( -12.949 8.054 -1.713) 15.345 3.766 ( -13.218 -4.125 -3.093) 14.188 4.711 ( -15.341 -4.655 4.293) 16.597 4.923 ( -11.320 0.973 -11.749) 16.344 6.585 ( -3.211 -3.063 -1.276) 4.617 6.831 ( -9.256 2.070 1.766) 9.647 7.088 ( -16.527 -8.275 8.625) 20.397 7.413 ( -4.628 -1.288 -1.231) 4.959 7.838 ( -9.937 -11.166 8.657) 17.273 10.433 ( 10.435 3.469 0.453) 11.006 10.642 ( 8.821 3.876 -0.197) 9.637 11.544 ( 17.563 5.108 -3.241) 18.576 13.398 ( -5.504 0.772 -0.601) 5.590 14.998 ( 0.251 2.735 4.792) 5.523 15.920 ( 8.943 -0.880 -8.312) 12.240======================= Grid point 749 (144/192) =======================q-point: (-0.33 0.07 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.294 ( -16.171 3.860 3.148) 16.921 3.448 ( -16.655 -5.676 5.998) 18.589 4.373 ( -16.519 -4.473 -0.439) 17.120 4.623 ( -19.150 -5.564 -21.670) 29.449 6.479 ( -4.667 -6.102 3.244) 8.339 6.608 ( -24.788 -9.616 10.644) 28.640 6.716 ( -9.571 5.296 0.047) 10.939 7.360 ( -0.967 1.539 -3.488) 3.933 7.574 ( -7.638 -7.433 5.774) 12.122 10.682 ( 13.195 3.662 0.459) 13.702 10.945 ( 17.536 8.726 2.520) 19.749 11.886 ( 15.771 3.305 -3.672) 16.527 13.303 ( -4.883 -0.829 -0.916) 5.037 15.033 ( -0.780 4.125 6.509) 7.745 16.046 ( 7.525 -3.386 -9.081) 12.270======================= Grid point 750 (145/192) =======================q-point: (-0.27 0.07 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.002 ( -18.184 -0.707 10.946) 21.236 3.067 ( -19.491 -5.415 16.667) 26.211 4.048 ( -14.447 -5.678 -11.488) 19.312 4.206 ( -19.754 -4.044 -20.968) 29.090 5.928 ( -33.747 -11.630 16.320) 39.249 6.394 ( -4.873 -3.259 -2.847) 6.517 6.586 ( -10.003 4.045 -3.355) 11.300 7.237 ( -12.272 -3.348 -3.048) 13.081 7.623 ( 14.731 5.139 2.416) 15.787 10.954 ( 12.716 3.736 1.007) 13.292 11.427 ( 25.420 9.864 6.608) 28.056 12.162 ( 12.431 1.775 -5.824) 13.842 13.217 ( -3.310 -1.603 -1.445) 3.951 15.026 ( -5.729 3.938 7.430) 10.176 16.118 ( 6.262 -5.788 -8.087) 11.752======================= Grid point 751 (146/192) =======================q-point: (-0.20 0.07 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.640 ( -18.107 -5.521 22.100) 29.099 2.690 ( -18.253 -1.078 22.483) 28.980 3.734 ( -13.017 -6.831 -19.325) 24.281 3.900 ( -13.887 2.138 -13.653) 19.591 5.185 ( -37.312 -8.552 17.799) 42.215 6.267 ( -7.053 -0.052 -13.793) 15.491 6.469 ( -6.068 1.359 -3.079) 6.939 6.959 ( -15.116 -2.178 -3.840) 15.748 8.091 ( 29.544 8.253 3.889) 30.921 11.195 ( 10.208 3.179 1.641) 10.816 11.977 ( 25.034 2.624 12.510) 28.108 12.383 ( 10.582 5.223 -11.574) 16.530 13.156 ( -1.667 -1.735 -2.056) 3.165 14.864 ( -17.003 1.598 5.016) 17.800 16.184 ( 9.262 -6.014 -3.481) 11.578======================= Grid point 756 (147/192) =======================q-point: ( 0.13 0.13 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.942 ( 7.173 19.841 14.111) 25.382 3.054 ( 11.880 17.767 18.943) 28.559 3.940 ( 5.649 14.752 -21.157) 26.404 4.212 ( 11.592 14.359 -12.698) 22.401 5.789 ( 16.362 31.090 15.663) 38.466 6.383 ( 4.102 3.363 -3.154) 6.172 6.663 ( 9.318 9.456 -7.508) 15.251 7.219 ( 8.504 10.542 -3.932) 14.104 7.720 ( -6.101 -17.816 -0.425) 18.836 11.002 ( -6.228 -12.371 0.313) 13.854 11.518 ( -14.638 -20.790 8.512) 26.813 12.208 ( -3.992 -14.289 -8.152) 16.929 13.187 ( 0.953 3.825 -1.254) 4.136 15.138 ( 9.675 4.356 5.289) 11.855 15.938 ( -13.380 -1.596 -2.098) 13.637======================= Grid point 757 (148/192) =======================q-point: ( 0.20 0.13 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.284 ( 8.213 19.566 6.121) 22.085 3.425 ( 7.199 19.928 14.035) 25.415 4.234 ( 11.582 11.938 -15.880) 22.996 4.591 ( 12.265 17.445 -10.462) 23.753 6.331 ( 12.791 17.432 8.006) 23.056 6.513 ( 6.567 8.880 3.508) 11.588 6.967 ( 13.179 9.574 -7.439) 17.908 7.389 ( -0.904 0.585 -2.760) 2.963 7.580 ( 7.624 -4.088 -2.194) 8.925 10.737 ( -8.267 -12.661 -0.536) 15.130 11.074 ( -14.528 -14.420 4.502) 20.959 11.949 ( -7.666 -15.974 -5.284) 18.490 13.271 ( 2.904 5.673 -0.341) 6.382 15.287 ( 5.198 -0.986 2.173) 5.720 15.695 ( -12.094 -1.010 1.579) 12.239======================= Grid point 758 (149/192) =======================q-point: ( 0.27 0.13 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.608 ( 8.141 13.295 -0.162) 15.590 3.715 ( -1.337 28.424 8.856) 29.802 4.558 ( 13.507 5.736 -6.732) 16.145 4.977 ( 9.559 18.515 -7.659) 22.199 6.534 ( 4.349 3.658 -0.235) 5.688 6.835 ( 8.920 15.213 6.018) 18.634 7.263 ( 7.499 1.664 -8.100) 11.163 7.368 ( 5.049 4.210 -0.849) 6.628 7.760 ( 12.292 -2.323 1.517) 12.601 10.486 ( -6.543 -9.551 -1.465) 11.669 10.722 ( -11.084 -9.148 2.065) 14.519 11.617 ( -10.974 -16.175 -3.044) 19.782 13.396 ( 3.249 7.440 0.127) 8.120 15.300 ( -2.505 -1.726 -5.267) 6.083 15.516 ( -4.801 -2.683 8.265) 9.928======================= Grid point 759 (150/192) =======================q-point: ( 0.33 0.13 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.814 ( 1.652 10.925 1.953) 11.221 3.983 ( -3.534 30.734 -1.869) 30.992 4.797 ( 9.641 0.384 0.678) 9.672 5.277 ( 3.225 16.554 -4.069) 17.349 6.633 ( 1.930 4.928 -0.537) 5.319 7.053 ( 3.293 6.335 -0.986) 7.207 7.331 ( 3.945 1.521 -0.810) 4.305 7.574 ( 6.841 3.190 -2.684) 8.012 7.939 ( 12.935 -6.653 4.746) 15.300 10.305 ( -5.277 -6.390 -1.149) 8.366 10.530 ( -1.889 -3.884 -0.142) 4.322 11.248 ( -12.084 -14.597 -1.664) 19.023 13.523 ( 1.453 8.542 0.166) 8.666 15.187 ( -6.889 -1.071 -4.489) 8.292 15.471 ( 2.310 -3.479 5.895) 7.224======================= Grid point 760 (151/192) =======================q-point: ( 0.40 0.13 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.911 ( -4.232 12.876 2.318) 13.751 4.173 ( -6.836 22.473 -8.442) 24.961 4.919 ( 4.497 0.167 4.471) 6.344 5.412 ( -5.156 12.884 -0.356) 13.882 6.700 ( -0.901 6.040 -1.156) 6.215 7.115 ( 0.794 -0.064 -3.859) 3.941 7.416 ( 2.668 1.029 1.711) 3.332 7.639 ( -0.575 -0.251 1.670) 1.784 8.053 ( 9.358 -11.583 4.770) 15.637 10.180 ( -2.100 -3.689 -0.084) 4.246 10.555 ( 4.943 -1.162 -1.750) 5.371 10.937 ( -6.633 -9.192 -1.375) 11.418 13.607 ( -1.970 8.228 -0.082) 8.461 15.071 ( -4.844 -0.551 -0.642) 4.918 15.509 ( 5.367 -2.612 0.240) 5.974======================= Grid point 761 (152/192) =======================q-point: (-0.53 0.13 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.927 ( -8.934 12.843 0.825) 15.666 4.179 ( -11.733 10.946 -7.757) 17.823 4.971 ( -0.547 1.843 2.855) 3.442 5.368 ( -12.379 10.374 0.659) 16.165 6.714 ( -3.526 3.521 -1.770) 5.288 7.089 ( -2.931 -1.026 -2.748) 4.147 7.412 ( -2.812 -2.623 3.412) 5.141 7.582 ( -4.331 -0.473 2.982) 5.280 8.014 ( 1.880 -15.351 5.914) 16.557 10.173 ( 3.796 -0.480 0.124) 3.828 10.544 ( -1.588 -4.766 -1.206) 5.167 10.960 ( 12.351 1.601 -2.297) 12.665 13.614 ( -5.650 6.110 -0.350) 8.329 15.014 ( -1.850 1.165 1.889) 2.889 15.604 ( 7.945 -2.445 -3.739) 9.114======================= Grid point 762 (153/192) =======================q-point: (-0.47 0.13 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.848 ( -12.947 9.086 -1.351) 15.875 4.008 ( -16.198 5.811 -1.434) 17.269 4.884 ( -9.229 -3.474 1.257) 9.942 5.220 ( -15.536 9.148 -6.332) 19.109 6.636 ( -5.486 -2.519 -0.566) 6.064 7.012 ( -6.798 4.219 -0.087) 8.002 7.258 ( -10.209 -4.871 5.903) 12.759 7.494 ( -5.320 -0.171 0.643) 5.362 7.833 ( -3.878 -14.511 6.688) 16.441 10.290 ( 8.263 1.225 -0.518) 8.370 10.536 ( 5.231 -0.060 -0.313) 5.240 11.267 ( 17.723 2.736 -2.340) 18.085 13.538 ( -7.821 2.991 -0.462) 8.386 15.027 ( 0.283 3.721 3.561) 5.158 15.729 ( 9.379 -3.843 -5.989) 11.773======================= Grid point 763 (154/192) =======================q-point: (-0.40 0.13 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.645 ( -15.691 0.973 -0.901) 15.747 3.750 ( -20.418 7.286 6.012) 22.497 4.606 ( -14.873 -6.277 -2.022) 16.269 4.960 ( -20.893 2.074 -14.567) 25.554 6.511 ( -4.591 -2.878 1.677) 5.672 6.922 ( -15.045 -1.348 7.269) 16.764 6.959 ( -13.309 3.393 1.859) 13.860 7.408 ( -3.299 0.585 -0.626) 3.408 7.619 ( -6.110 -8.952 3.472) 11.381 10.479 ( 11.778 1.233 -0.961) 11.881 10.735 ( 13.902 4.340 1.499) 14.640 11.609 ( 17.850 1.559 -2.614) 18.108 13.413 ( -7.759 0.374 -0.591) 7.790 15.088 ( 0.644 5.982 5.160) 7.926 15.842 ( 9.104 -6.558 -6.861) 13.151======================= Grid point 764 (155/192) =======================q-point: (-0.33 0.13 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.330 ( -18.678 -2.403 5.888) 19.731 3.424 ( -22.513 3.671 12.107) 25.824 4.267 ( -15.966 -5.629 -12.218) 20.877 4.565 ( -22.746 0.045 -15.029) 27.263 6.357 ( -17.968 -4.663 8.984) 20.623 6.501 ( -15.221 -1.158 4.160) 15.822 6.841 ( -12.022 6.247 -2.715) 13.817 7.417 ( -8.530 1.760 -3.641) 9.440 7.460 ( 5.985 -1.000 1.586) 6.272 10.732 ( 14.736 1.335 -0.262) 14.798 11.088 ( 20.591 4.028 4.122) 21.382 11.922 ( 15.972 1.025 -4.214) 16.550 13.285 ( -6.046 -0.935 -0.908) 6.185 15.152 ( -1.682 7.020 6.480) 9.701 15.909 ( 7.767 -9.531 -6.129) 13.738======================= Grid point 772 (156/192) =======================q-point: ( 0.20 0.20 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.616 ( 6.718 14.300 0.764) 15.818 3.896 ( 14.394 22.599 11.974) 29.348 4.479 ( 3.514 12.503 -9.384) 16.023 4.987 ( 12.130 20.379 -11.581) 26.393 6.494 ( 3.630 3.960 0.985) 5.461 6.856 ( 8.399 18.410 8.278) 21.863 7.117 ( 11.842 4.719 -2.737) 13.038 7.386 ( -2.315 1.783 1.978) 3.529 7.569 ( 6.714 1.111 -2.688) 7.317 10.492 ( -6.017 -10.756 -1.507) 12.417 10.783 ( -8.177 -13.565 2.070) 15.974 11.624 ( -8.878 -15.880 -2.477) 18.361 13.411 ( 3.933 7.826 -0.281) 8.763 15.224 ( 5.000 -4.422 3.591) 7.579 15.669 ( -12.166 -1.917 -2.737) 12.617======================= Grid point 773 (157/192) =======================q-point: ( 0.27 0.20 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.855 ( 4.915 11.953 -0.956) 12.959 4.361 ( 5.573 31.354 10.337) 33.482 4.634 ( 5.641 2.450 -4.325) 7.518 5.375 ( 7.490 19.745 -9.230) 23.047 6.609 ( 5.084 3.436 -0.127) 6.138 7.109 ( 1.929 11.195 3.875) 12.002 7.277 ( 3.034 1.231 -1.452) 3.582 7.471 ( 8.313 3.708 1.735) 9.266 7.676 ( 7.748 -5.076 -0.264) 9.266 10.312 ( -4.038 -7.656 -2.347) 8.968 10.543 ( -5.421 -7.620 0.830) 9.388 11.290 ( -10.267 -15.506 -1.051) 18.626 13.570 ( 3.697 9.293 0.044) 10.001 15.238 ( 0.907 -3.910 -1.753) 4.380 15.465 ( -7.242 -2.536 2.392) 8.037======================= Grid point 774 (158/192) =======================q-point: ( 0.33 0.20 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.031 ( 1.667 10.846 -0.714) 10.996 4.596 ( -9.147 17.803 -2.786) 20.208 4.832 ( 9.219 12.165 9.875) 18.180 5.629 ( -0.999 17.695 -6.604) 18.914 6.740 ( 4.473 5.142 -0.435) 6.829 7.132 ( -4.289 1.090 -1.797) 4.776 7.362 ( 4.321 0.963 2.328) 5.002 7.627 ( 4.668 1.253 1.125) 4.963 7.745 ( 9.052 -10.797 2.191) 14.259 10.174 ( -3.003 -6.381 -1.828) 7.285 10.473 ( 2.372 -1.399 -0.647) 2.828 10.967 ( -8.940 -12.606 -0.351) 15.458 13.711 ( 0.868 9.328 -0.053) 9.369 15.163 ( -5.410 -1.069 -2.842) 6.204 15.395 ( 2.665 -3.966 2.852) 5.564======================= Grid point 775 (159/192) =======================q-point: ( 0.40 0.20 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.126 ( -3.074 9.245 -1.387) 9.841 4.534 ( -10.247 6.754 -0.317) 12.277 5.056 ( -2.209 15.619 7.706) 17.556 5.699 ( -9.740 15.341 -5.242) 18.913 6.824 ( -3.427 4.637 -0.104) 5.766 7.074 ( 1.805 -3.032 -3.383) 4.888 7.407 ( 0.711 -1.610 2.956) 3.440 7.655 ( -2.155 0.920 3.356) 4.093 7.758 ( 7.061 -15.413 2.438) 17.128 10.106 ( 1.525 -3.356 -1.354) 3.927 10.517 ( 0.612 -2.354 -0.822) 2.567 10.799 ( 3.817 -4.325 -0.794) 5.823 13.773 ( -3.889 7.275 -0.361) 8.258 15.076 ( -3.758 1.262 0.328) 3.978 15.440 ( 6.452 -4.195 -1.020) 7.763======================= Grid point 777 (160/192) =======================q-point: (-0.53 0.20 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.086 ( -9.182 3.396 -3.744) 10.481 4.411 ( -13.067 10.368 5.180) 17.466 5.033 ( -11.012 2.688 4.354) 12.143 5.615 ( -15.768 12.391 -8.584) 21.814 6.714 ( -6.602 -3.647 0.124) 7.543 7.133 ( -0.046 6.370 -0.955) 6.441 7.350 ( -4.516 -2.502 3.897) 6.469 7.590 ( -4.582 -1.442 4.265) 6.424 7.685 ( 2.242 -13.535 1.662) 13.820 10.163 ( 6.618 -0.442 -1.400) 6.779 10.469 ( 0.530 -2.367 -0.395) 2.457 10.987 ( 15.508 0.750 -1.141) 15.568 13.720 ( -8.198 3.755 -0.418) 9.027 15.066 ( -0.424 3.958 2.000) 4.455 15.524 ( 8.144 -5.224 -3.213) 10.195======================= Grid point 778 (161/192) =======================q-point: (-0.47 0.20 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.889 ( -13.255 -1.262 -2.718) 13.589 4.250 ( -20.748 13.180 8.805) 26.110 4.770 ( -12.990 -8.397 -1.067) 15.504 5.375 ( -21.087 4.256 -12.163) 24.713 6.580 ( -5.279 -1.089 1.209) 5.524 7.135 ( -8.085 3.710 2.957) 9.375 7.206 ( -9.935 2.420 2.784) 10.598 7.474 ( -4.499 -3.948 5.139) 7.889 7.603 ( -0.785 -3.815 -1.912) 4.339 10.304 ( 8.875 0.361 -1.949) 9.094 10.547 ( 9.463 0.555 0.654) 9.502 11.298 ( 18.112 0.453 -1.306) 18.164 13.578 ( -9.786 0.784 -0.281) 9.822 15.130 ( 1.482 6.007 2.931) 6.846 15.610 ( 8.551 -7.341 -3.818) 11.899======================= Grid point 789 (162/192) =======================q-point: ( 0.27 0.27 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.094 ( 4.181 11.062 -2.219) 12.032 4.599 ( 8.203 -1.737 3.038) 8.919 4.994 ( 5.211 24.927 10.245) 27.449 5.759 ( 9.049 17.045 -12.959) 23.245 6.674 ( 4.341 3.315 0.559) 5.491 7.282 ( 3.017 4.192 2.203) 5.615 7.303 ( -4.142 -0.047 1.735) 4.491 7.436 ( 2.072 -4.920 3.352) 6.304 7.650 ( 3.431 2.919 -0.542) 4.537 10.162 ( -3.496 -6.868 -2.344) 8.055 10.445 ( -0.786 -1.426 -0.125) 1.633 10.988 ( -8.619 -13.796 -0.267) 16.270 13.756 ( 4.427 8.227 -0.243) 9.346 15.161 ( 3.129 -3.126 0.088) 4.424 15.407 ( -7.730 -3.089 -0.459) 8.337======================= Grid point 790 (163/192) =======================q-point: ( 0.33 0.27 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.253 ( 0.570 10.588 -1.297) 10.682 4.597 ( -0.482 -6.020 -0.530) 6.062 5.319 ( 0.269 21.192 17.748) 27.643 6.009 ( -3.046 19.588 -13.086) 23.753 6.823 ( 9.354 2.440 -0.659) 9.689 7.073 ( -10.883 -8.071 -1.044) 13.590 7.365 ( 2.868 -0.408 2.618) 3.905 7.457 ( 5.978 -10.029 1.472) 11.768 7.721 ( 0.347 2.944 2.617) 3.955 10.058 ( -0.915 -4.427 -2.478) 5.155 10.481 ( 2.859 2.321 -0.465) 3.712 10.737 ( -4.548 -9.745 0.033) 10.754 13.878 ( 0.320 6.278 -0.501) 6.306 15.158 ( -2.645 0.922 -0.936) 2.953 15.308 ( 1.781 -4.527 0.789) 4.928======================= Grid point 791 (164/192) =======================q-point: (-0.60 0.27 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 900Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.275 ( -8.008 3.904 -2.411) 9.229 4.555 ( 1.160 -0.114 1.562) 1.949 5.351 ( -14.292 7.890 16.842) 23.456 6.020 ( -15.090 12.734 -14.086) 24.255 6.788 ( -7.100 -5.685 0.304) 9.101 7.101 ( 12.374 4.723 -1.414) 13.320 7.371 ( -0.872 -2.444 2.271) 3.448 7.433 ( 3.662 -10.110 2.555) 11.052 7.714 ( -3.586 1.684 2.639) 4.760 10.056 ( 4.009 -1.264 -2.387) 4.834 10.477 ( -3.535 -1.053 -0.285) 3.699 10.744 ( 11.178 -1.404 -0.253) 11.269 13.880 ( -5.396 2.747 -0.582) 6.083 15.127 ( -2.178 3.526 0.584) 4.186 15.343 ( 6.229 -4.866 -0.871) 7.952======================= Grid point 805 (165/192) =======================q-point: ( 0.33 0.33 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 308Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.449 ( -3.615 -7.230 -0.810) 8.124 4.449 ( 3.615 7.230 -0.810) 8.124 5.539 ( -0.000 -0.000 21.657) 21.657 6.299 ( -0.000 -0.000 -16.085) 16.085 6.869 ( -2.923 -5.845 -1.100) 6.627 6.869 ( 2.923 5.845 -1.100) 6.627 7.362 ( -0.361 -0.723 1.945) 2.106 7.362 ( 0.361 0.723 1.945) 2.106 7.757 ( -0.000 -0.000 3.737) 3.737 10.011 ( -0.000 -0.000 -2.832) 2.832 10.571 ( -2.890 -5.780 -0.096) 6.463 10.571 ( 2.890 5.780 -0.096) 6.463 13.946 ( -0.000 -0.000 -0.756) 0.756 15.213 ( -2.062 -4.124 0.034) 4.611 15.213 ( 2.062 4.124 0.034) 4.611======================= Grid point 964 (166/192) =======================q-point: ( 0.00 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.452 ( 0.000 -0.000 0.000) 0.000 2.452 ( 0.000 0.000 0.000) 0.000 3.362 ( 0.000 0.000 0.000) 0.000 3.362 ( 0.000 0.000 0.000) 0.000 4.074 ( 0.000 0.000 0.000) 0.000 5.563 ( 0.000 0.000 0.000) 0.000 6.368 ( 0.000 0.000 0.000) 0.000 6.368 ( 0.000 0.000 0.000) 0.000 10.467 ( 0.000 -0.000 0.000) 0.000 11.532 ( 0.000 -0.000 0.000) 0.000 11.532 ( 0.000 0.000 0.000) 0.000 13.079 ( 0.000 -0.000 0.000) 0.000 13.079 ( -0.000 0.000 0.000) 0.000 13.778 ( 0.000 0.000 0.000) 0.000 16.770 ( 0.000 0.000 0.000) 0.000======================= Grid point 966 (167/192) =======================q-point: ( 0.07 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.511 ( 4.833 2.790 2.456) 6.097 2.575 ( 10.171 5.872 -2.570) 12.022 3.296 ( -3.702 -2.137 2.456) 4.930 3.417 ( 4.740 2.737 -2.377) 5.967 4.349 ( 20.864 12.046 0.333) 24.094 5.646 ( 6.917 3.993 -0.434) 7.999 6.375 ( 0.598 0.345 0.210) 0.722 6.473 ( 8.531 4.925 -0.321) 9.856 9.644 ( -46.632 -26.923 -0.396) 53.847 11.486 ( -3.828 -2.210 -1.143) 4.566 12.042 ( 20.749 11.979 2.104) 24.050 12.933 ( -12.315 -7.110 -2.298) 14.405 13.085 ( 0.520 0.300 1.050) 1.210 14.036 ( 20.947 12.093 -0.134) 24.187 16.609 ( -12.195 -7.041 0.704) 14.099======================= Grid point 968 (168/192) =======================q-point: ( 0.13 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.666 ( 7.911 4.567 4.412) 10.144 2.915 ( 18.104 10.452 -7.065) 22.066 3.243 ( -0.220 -0.127 8.019) 8.023 3.587 ( 9.595 5.540 -4.798) 12.074 4.964 ( 29.729 17.164 1.289) 34.353 5.880 ( 12.613 7.282 -2.720) 14.816 6.397 ( 1.281 0.740 0.553) 1.580 6.741 ( 13.436 7.757 -1.323) 15.571 8.637 ( -36.621 -21.143 -2.026) 42.335 11.352 ( -7.471 -4.313 -1.713) 8.795 12.242 ( -4.778 -2.758 11.057) 12.356 12.547 ( -16.668 -9.623 -12.153) 22.762 13.107 ( 1.396 0.806 1.630) 2.292 14.609 ( 23.248 13.422 -1.839) 26.908 16.289 ( -13.018 -7.516 4.579) 15.714======================= Grid point 970 (169/192) =======================q-point: ( 0.20 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.867 ( 8.717 5.033 5.590) 11.514 3.264 ( 4.755 2.745 -11.406) 12.659 3.437 ( 22.716 13.115 14.443) 29.944 3.867 ( 13.886 8.017 -6.932) 17.469 5.692 ( 30.531 17.627 3.526) 35.431 6.224 ( 16.066 9.276 -7.584) 20.042 6.435 ( 1.901 1.097 1.065) 2.440 7.072 ( 13.736 7.930 -2.859) 16.117 7.944 ( -21.807 -12.590 -4.078) 25.508 11.139 ( -10.405 -6.007 -1.549) 12.114 11.798 ( -25.854 -14.927 6.151) 30.481 12.307 ( -8.130 -4.694 -7.839) 12.230 13.153 ( 2.539 1.466 1.610) 3.345 15.016 ( 10.528 6.078 -5.449) 13.322 16.046 ( -7.303 -4.216 10.786) 13.691======================= Grid point 972 (170/192) =======================q-point: ( 0.27 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.064 ( 7.773 4.488 5.705) 10.636 3.396 ( 6.749 3.896 0.291) 7.798 4.017 ( 24.729 14.278 4.898) 28.972 4.228 ( 16.330 9.428 -8.015) 20.489 6.337 ( 22.333 12.894 7.595) 26.883 6.483 ( 2.103 1.214 1.628) 2.924 6.633 ( 18.823 10.867 -15.550) 26.725 7.307 ( 2.880 1.663 -2.356) 4.076 7.667 ( 1.376 0.795 -6.304) 6.502 10.872 ( -11.889 -6.864 -0.965) 13.762 11.205 ( -22.786 -13.156 2.332) 26.414 12.068 ( -12.160 -7.021 -3.327) 14.430 13.225 ( 3.476 2.007 1.236) 4.200 15.132 ( 0.605 0.349 -7.393) 7.426 15.922 ( -4.037 -2.331 14.180) 14.927======================= Grid point 974 (171/192) =======================q-point: ( 0.33 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.227 ( 5.872 3.390 4.742) 8.274 3.572 ( 7.756 4.478 3.244) 9.525 4.546 ( 18.944 10.937 3.089) 22.092 4.615 ( 15.834 9.142 -7.523) 19.770 6.529 ( 1.634 0.943 1.982) 2.736 6.719 ( 11.234 6.486 0.307) 12.976 7.077 ( 16.353 9.442 -12.634) 22.720 7.319 ( 2.927 1.690 0.602) 3.433 7.896 ( 13.159 7.597 -6.824) 16.657 10.594 ( -11.274 -6.509 -0.407) 13.025 10.766 ( -13.800 -7.968 1.259) 15.985 11.738 ( -15.496 -8.947 -1.015) 17.923 13.312 ( 3.680 2.125 0.811) 4.326 15.102 ( -2.248 -1.298 -6.325) 6.837 15.824 ( -4.538 -2.620 12.961) 13.980======================= Grid point 976 (172/192) =======================q-point: ( 0.40 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.339 ( 3.590 2.073 3.060) 5.152 3.742 ( 6.179 3.567 4.066) 8.212 4.880 ( 9.292 5.365 0.755) 10.756 4.949 ( 11.859 6.847 -5.444) 14.736 6.557 ( 0.715 0.413 1.781) 1.963 6.928 ( 7.032 4.060 -3.715) 8.929 7.325 ( 6.224 3.593 -0.489) 7.203 7.498 ( 9.280 5.358 -5.232) 11.925 8.195 ( 11.103 6.411 -4.666) 13.644 10.358 ( -8.224 -4.748 -0.103) 9.497 10.568 ( -2.981 -1.721 0.390) 3.464 11.355 ( -16.391 -9.463 0.339) 18.929 13.391 ( 2.844 1.642 0.456) 3.315 15.051 ( -1.820 -1.051 -4.231) 4.724 15.713 ( -4.457 -2.573 9.138) 10.488======================= Grid point 978 (173/192) =======================q-point: ( 0.47 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 488Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.396 ( 1.202 0.694 1.049) 1.740 3.846 ( 2.359 1.362 1.937) 3.342 5.009 ( 2.312 1.335 -0.297) 2.686 5.148 ( 4.496 2.596 -2.021) 5.571 6.565 ( 0.093 0.054 0.754) 0.761 7.048 ( 2.734 1.578 -1.340) 3.429 7.431 ( 2.513 1.451 0.582) 2.959 7.653 ( 3.389 1.956 -2.763) 4.790 8.383 ( 4.302 2.484 -1.537) 5.200 10.222 ( -3.037 -1.753 -0.011) 3.507 10.602 ( 4.306 2.486 -0.334) 4.984 11.008 ( -11.066 -6.389 0.653) 12.795 13.439 ( 1.074 0.620 0.149) 1.249 15.022 ( -0.611 -0.353 -1.536) 1.690 15.633 ( -1.925 -1.111 3.365) 4.033======================= Grid point 996 (174/192) =======================q-point: ( 0.07 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 458Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.631 ( 4.949 8.572 0.000) 9.898 2.794 ( 8.836 15.305 0.000) 17.673 3.248 ( -0.839 -1.452 -0.000) 1.677 3.534 ( 4.994 8.650 0.000) 9.988 4.779 ( 16.197 28.054 0.000) 32.394 5.803 ( 6.348 10.995 0.000) 12.696 6.395 ( 0.972 1.684 0.000) 1.945 6.654 ( 7.019 12.157 0.000) 14.038 8.880 ( -23.276 -40.316 0.000) 46.553 11.397 ( -3.781 -6.548 0.000) 7.561 12.263 ( 3.165 5.483 0.000) 6.331 12.643 ( -11.964 -20.722 0.000) 23.928 13.095 ( 0.462 0.801 0.000) 0.925 14.462 ( 14.861 25.740 0.000) 29.722 16.373 ( -8.137 -14.094 0.000) 16.274======================= Grid point 998 (175/192) =======================q-point: ( 0.13 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.838 ( 5.862 11.862 3.548) 13.699 3.186 ( 14.892 15.212 -18.298) 28.071 3.269 ( 4.560 3.809 18.804) 19.721 3.768 ( 9.282 12.001 -3.367) 15.541 5.428 ( 23.668 26.853 1.338) 35.820 6.077 ( 11.087 11.107 -2.860) 15.952 6.444 ( 1.314 4.157 0.399) 4.378 6.942 ( 11.037 11.271 -1.298) 15.828 8.146 ( -20.640 -24.180 -1.818) 31.843 11.221 ( -7.244 -8.544 -0.880) 11.236 12.076 ( -22.738 -16.515 8.170) 29.266 12.303 ( -0.762 -10.659 -9.070) 14.016 13.126 ( 1.920 1.341 0.924) 2.517 14.933 ( 11.385 15.982 -2.345) 19.762 16.103 ( -7.228 -9.775 4.751) 13.053======================= Grid point 1000 (176/192) =======================q-point: ( 0.20 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.065 ( 4.533 14.096 5.004) 15.629 3.354 ( 4.030 6.721 -3.549) 8.603 3.739 ( 23.209 15.812 6.176) 28.755 4.099 ( 12.434 14.560 -5.813) 20.010 6.107 ( 22.657 21.907 5.335) 31.965 6.374 ( 11.014 4.393 -6.064) 13.318 6.556 ( 4.835 11.224 -2.811) 12.540 7.238 ( 9.403 7.805 -2.434) 12.460 7.688 ( -8.938 -11.273 -3.975) 14.926 10.973 ( -9.555 -10.212 -0.815) 14.009 11.472 ( -23.320 -16.750 2.534) 28.823 12.136 ( -6.203 -10.986 -3.683) 13.143 13.191 ( 3.142 2.603 1.082) 4.221 15.157 ( 1.165 6.764 -6.078) 9.168 15.932 ( -2.850 -6.744 10.821) 13.065======================= Grid point 1002 (177/192) =======================q-point: ( 0.27 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.278 ( 1.781 16.236 4.119) 16.845 3.516 ( 5.252 8.168 1.368) 9.807 4.301 ( 21.888 12.884 3.803) 25.681 4.489 ( 13.331 15.886 -6.267) 21.665 6.484 ( 5.104 1.775 1.283) 5.554 6.642 ( 10.110 14.134 5.233) 18.149 6.882 ( 16.070 12.011 -14.284) 24.628 7.320 ( -1.332 0.689 -0.045) 1.500 7.709 ( 12.843 2.300 -6.359) 14.514 10.690 ( -9.701 -10.554 -0.378) 14.340 10.959 ( -17.831 -10.880 1.173) 20.921 11.863 ( -10.861 -12.417 -1.545) 16.569 13.285 ( 3.358 4.151 0.873) 5.410 15.162 ( -4.058 1.972 -6.954) 8.290 15.834 ( -1.705 -6.106 12.719) 14.212======================= Grid point 1004 (178/192) =======================q-point: ( 0.33 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.451 ( -2.522 18.360 2.165) 18.658 3.692 ( 5.259 7.364 4.116) 9.941 4.730 ( 14.320 7.176 1.774) 16.115 4.868 ( 10.577 14.905 -4.959) 18.937 6.559 ( 1.661 2.449 1.201) 3.194 6.874 ( 4.950 7.883 -2.103) 9.543 7.232 ( 10.195 5.716 -5.673) 12.992 7.396 ( 7.232 5.391 -1.598) 9.161 7.995 ( 15.177 1.591 -5.568) 16.244 10.439 ( -7.601 -7.843 -0.240) 10.924 10.634 ( -8.873 -5.469 0.672) 10.445 11.511 ( -13.802 -12.762 -0.063) 18.799 13.386 ( 2.271 5.326 0.597) 5.821 15.096 ( -3.934 0.255 -5.411) 6.695 15.734 ( -2.539 -5.823 10.601) 12.359======================= Grid point 1006 (179/192) =======================q-point: ( 0.40 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.560 ( -6.897 19.058 0.717) 20.280 3.835 ( 2.831 5.510 3.709) 7.221 4.953 ( 5.963 2.069 0.529) 6.334 5.141 ( 4.562 11.317 -3.451) 12.681 6.595 ( -0.917 3.410 1.200) 3.729 7.013 ( 3.878 3.862 -2.394) 5.974 7.392 ( 4.354 2.937 0.671) 5.294 7.587 ( 6.595 3.147 -4.442) 8.552 8.236 ( 11.651 -2.599 -2.922) 12.290 10.263 ( -4.817 -4.385 -0.170) 6.516 10.547 ( 2.131 -0.593 -0.092) 2.214 11.140 ( -13.134 -10.958 0.735) 17.120 13.464 ( 0.039 5.553 0.316) 5.562 15.042 ( -2.084 -0.035 -3.018) 3.667 15.639 ( -1.742 -4.453 6.120) 7.766======================= Grid point 1008 (180/192) =======================q-point: ( 0.47 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 458Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.596 ( -10.424 18.055 0.000) 20.848 3.890 ( -1.697 2.939 0.000) 3.394 5.011 ( 0.584 -1.012 0.000) 1.168 5.243 ( -3.672 6.360 0.000) 7.343 6.602 ( -2.027 3.511 0.000) 4.055 7.071 ( -0.303 0.524 0.000) 0.605 7.448 ( -0.133 0.230 -0.000) 0.266 7.663 ( 0.488 -0.844 0.000) 0.975 8.330 ( 4.399 -7.619 0.000) 8.797 10.195 ( 0.541 -0.938 0.000) 1.083 10.613 ( 1.220 -2.113 0.000) 2.440 10.917 ( 0.956 -1.656 0.000) 1.913 13.494 ( -2.653 4.595 0.000) 5.306 15.023 ( -0.287 0.497 0.000) 0.574 15.598 ( 1.320 -2.287 0.000) 2.641======================= Grid point 1030 (181/192) =======================q-point: ( 0.13 0.13 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 458Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.114 ( 8.027 13.904 0.000) 16.055 3.374 ( 4.954 8.580 0.000) 9.908 3.582 ( 12.444 21.554 -0.000) 24.888 4.068 ( 9.817 17.004 0.000) 19.635 6.013 ( 16.806 29.109 -0.000) 33.612 6.292 ( 5.147 8.915 0.000) 10.294 6.580 ( 5.463 9.463 0.000) 10.926 7.185 ( 6.950 12.038 0.000) 13.900 7.715 ( -9.813 -16.997 0.000) 19.627 11.005 ( -7.126 -12.342 0.000) 14.252 11.616 ( -14.497 -25.109 0.000) 28.993 12.115 ( -5.494 -9.516 0.000) 10.989 13.174 ( 2.065 3.577 0.000) 4.130 15.191 ( 4.738 8.206 0.000) 9.475 15.916 ( -4.664 -8.079 0.000) 9.328======================= Grid point 1032 (182/192) =======================q-point: ( 0.20 0.13 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.379 ( 6.028 13.866 2.096) 15.264 3.591 ( 3.005 18.202 -1.544) 18.513 4.063 ( 19.310 15.345 3.257) 24.879 4.450 ( 11.908 19.338 -2.570) 22.856 6.428 ( 4.002 4.308 1.398) 6.044 6.579 ( 15.927 20.642 0.264) 26.074 6.814 ( 7.172 12.658 -4.411) 15.202 7.374 ( -1.425 4.734 0.846) 5.015 7.520 ( 6.288 -4.228 -3.792) 8.473 10.731 ( -8.551 -12.890 -0.136) 15.469 11.127 ( -15.444 -16.619 0.501) 22.693 11.886 ( -7.439 -13.206 -0.822) 15.179 13.272 ( 3.592 5.371 0.415) 6.475 15.260 ( -2.699 2.848 -4.266) 5.796 15.781 ( -1.596 -7.637 6.560) 10.194======================= Grid point 1034 (183/192) =======================q-point: ( 0.27 0.13 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.620 ( 5.731 12.812 1.309) 14.096 3.817 ( -2.805 24.546 0.382) 24.708 4.528 ( 17.684 9.092 3.977) 20.278 4.860 ( 10.819 19.663 -3.123) 22.659 6.531 ( 4.041 2.945 -0.433) 5.019 6.926 ( 2.427 12.951 3.108) 13.538 7.098 ( 11.828 8.868 -8.897) 17.254 7.370 ( 1.489 4.445 1.562) 4.941 7.724 ( 14.294 -1.408 -4.942) 15.190 10.470 ( -6.728 -10.209 -0.140) 12.227 10.747 ( -11.664 -10.092 0.373) 15.428 11.583 ( -10.411 -14.461 -0.190) 17.820 13.402 ( 3.485 7.247 0.497) 8.057 15.193 ( -5.797 0.806 -5.627) 8.119 15.687 ( -0.529 -7.828 8.963) 11.912======================= Grid point 1036 (184/192) =======================q-point: ( 0.33 0.13 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.831 ( 3.894 10.836 0.400) 11.521 3.983 ( -8.537 27.234 1.194) 28.566 4.845 ( 9.949 4.538 3.827) 11.586 5.201 ( 5.718 17.061 -3.074) 18.254 6.631 ( 2.531 4.433 0.080) 5.105 7.023 ( -0.399 6.387 -1.386) 6.548 7.330 ( 6.792 4.010 -0.940) 7.944 7.511 ( 6.162 5.568 -2.670) 8.724 7.948 ( 14.647 -6.381 -3.664) 16.391 10.288 ( -4.359 -6.871 -0.410) 8.147 10.531 ( -3.267 -4.453 0.188) 5.526 11.237 ( -11.815 -13.560 0.581) 17.995 13.529 ( 1.367 8.410 0.423) 8.530 15.102 ( -4.566 0.307 -4.240) 6.238 15.600 ( -0.504 -6.986 7.079) 9.959======================= Grid point 1038 (185/192) =======================q-point: ( 0.40 0.13 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.961 ( -0.356 7.425 -0.029) 7.434 4.068 ( -13.487 27.585 0.673) 30.712 4.981 ( 2.407 1.690 1.639) 3.367 5.394 ( -1.691 12.847 -1.494) 13.044 6.694 ( -1.748 6.076 0.400) 6.335 7.067 ( 0.974 0.845 -0.727) 1.480 7.438 ( 2.387 1.255 0.313) 2.715 7.635 ( 2.625 2.088 -1.954) 3.882 8.088 ( 11.008 -11.665 -1.258) 16.088 10.176 ( -1.196 -4.220 -0.214) 4.392 10.535 ( 4.526 -0.806 -0.309) 4.608 10.930 ( -7.449 -8.976 0.694) 11.685 13.608 ( -2.230 8.048 0.179) 8.353 15.048 ( -2.013 0.750 -1.596) 2.676 15.539 ( 1.053 -5.173 2.698) 5.929======================= Grid point 1062 (186/192) =======================q-point: ( 0.20 0.20 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 458Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.627 ( 6.575 11.388 0.000) 13.149 4.045 ( 13.300 23.036 -0.000) 26.600 4.358 ( 7.969 13.803 0.000) 15.938 4.868 ( 11.943 20.686 0.000) 23.886 6.505 ( 2.296 3.977 0.000) 4.593 6.975 ( 9.607 16.641 -0.000) 19.215 7.044 ( 5.450 9.440 0.000) 10.900 7.415 ( 0.789 1.367 0.000) 1.579 7.539 ( 2.403 4.162 0.000) 4.806 10.477 ( -6.467 -11.201 0.000) 12.934 10.804 ( -8.413 -14.571 0.000) 16.825 11.599 ( -8.564 -14.833 0.000) 17.128 13.408 ( 4.456 7.718 0.000) 8.912 15.265 ( -1.272 -2.203 0.000) 2.544 15.636 ( -3.581 -6.202 0.000) 7.161======================= Grid point 1064 (187/192) =======================q-point: ( 0.27 0.20 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.853 ( 5.715 10.963 0.891) 12.396 4.401 ( -4.450 27.847 -6.023) 28.836 4.683 ( 16.427 8.232 7.760) 19.946 5.262 ( 8.783 18.822 -1.134) 20.802 6.600 ( 4.149 3.667 -0.808) 5.596 7.155 ( -3.030 9.227 0.762) 9.741 7.254 ( 6.870 6.591 -1.798) 9.689 7.491 ( 3.200 6.796 1.300) 7.624 7.639 ( 10.194 -6.915 -3.550) 12.820 10.286 ( -4.255 -7.852 -0.197) 8.933 10.553 ( -5.768 -8.251 0.094) 10.068 11.282 ( -9.757 -14.810 0.226) 17.737 13.573 ( 3.952 9.090 0.217) 9.914 15.191 ( -4.514 -0.933 -3.051) 5.528 15.529 ( -0.856 -7.229 4.180) 8.394======================= Grid point 1066 (188/192) =======================q-point: ( 0.33 0.20 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.037 ( 2.238 10.120 1.396) 10.458 4.513 ( -6.807 16.239 -5.238) 18.370 5.014 ( 3.520 17.987 6.859) 19.569 5.540 ( 2.300 15.348 -1.439) 15.586 6.727 ( 5.121 4.587 -0.923) 6.937 7.118 ( -6.700 2.338 0.295) 7.102 7.389 ( 4.177 1.537 0.020) 4.451 7.626 ( 3.364 5.583 -0.809) 6.568 7.740 ( 12.143 -13.116 -2.462) 18.043 10.151 ( -2.417 -6.553 -0.351) 6.994 10.466 ( 1.612 -1.575 -0.088) 2.256 10.969 ( -8.889 -12.331 0.593) 15.212 13.713 ( 0.809 9.049 0.240) 9.088 15.111 ( -3.886 0.726 -2.580) 4.721 15.457 ( 0.934 -6.806 3.522) 7.720======================= Grid point 1068 (189/192) =======================q-point: ( 0.40 0.20 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 458Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.114 ( -4.328 7.496 0.000) 8.655 4.529 ( -6.624 11.474 0.000) 13.249 5.140 ( -10.373 17.966 0.000) 20.745 5.641 ( -6.157 10.664 0.000) 12.314 6.826 ( -3.269 5.662 0.000) 6.538 7.038 ( 1.707 -2.956 0.000) 3.413 7.435 ( 0.807 -1.397 0.000) 1.613 7.689 ( -1.799 3.116 0.000) 3.598 7.783 ( 9.862 -17.082 0.000) 19.725 10.092 ( 2.228 -3.859 0.000) 4.456 10.508 ( 1.002 -1.735 0.000) 2.003 10.791 ( 2.559 -4.432 0.000) 5.118 13.769 ( -4.066 7.042 0.000) 8.132 15.079 ( -1.378 2.386 0.000) 2.756 15.429 ( 3.161 -5.476 0.000) 6.323======================= Grid point 1096 (190/192) =======================q-point: ( 0.27 0.27 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 458Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.072 ( 5.870 10.167 0.000) 11.740 4.628 ( -0.109 -0.188 0.000) 0.218 5.128 ( 16.303 28.237 0.000) 32.605 5.602 ( 7.941 13.753 0.000) 15.881 6.679 ( 2.481 4.296 0.000) 4.961 7.302 ( 2.208 3.825 0.000) 4.416 7.327 ( -1.238 -2.145 0.000) 2.477 7.470 ( -2.805 -4.859 0.000) 5.611 7.639 ( 3.800 6.581 0.000) 7.600 10.138 ( -3.866 -6.696 0.000) 7.732 10.444 ( -0.993 -1.719 0.000) 1.985 10.986 ( -7.985 -13.831 0.000) 15.971 13.754 ( 4.592 7.953 0.000) 9.183 15.164 ( -0.840 -1.455 0.000) 1.680 15.401 ( -2.996 -5.190 0.000) 5.993======================= Grid point 1098 (191/192) =======================q-point: ( 0.33 0.27 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 901Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.246 ( 0.765 10.130 0.556) 10.174 4.581 ( -0.747 -4.199 -1.143) 4.416 5.585 ( -2.311 30.681 1.548) 30.806 5.801 ( 0.528 9.514 -0.357) 9.535 6.804 ( 8.631 2.693 -1.176) 9.117 7.075 ( -12.066 -8.552 1.052) 14.827 7.392 ( 3.344 -1.061 0.116) 3.511 7.465 ( 6.188 -9.552 -0.643) 11.400 7.744 ( 0.751 4.609 -0.281) 4.678 10.032 ( -0.764 -4.626 -0.075) 4.690 10.476 ( 2.704 2.567 -0.097) 3.729 10.740 ( -4.581 -9.928 0.198) 10.936 13.874 ( 0.290 5.988 0.052) 5.995 15.141 ( -2.088 2.414 -0.819) 3.295 15.325 ( 1.182 -6.077 0.933) 6.261======================= Grid point 1128 (192/192) =======================q-point: ( 0.33 0.33 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 162Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.441 ( -3.876 -7.753 0.000) 8.668 4.441 ( 3.876 7.753 0.000) 8.668 5.903 ( -0.000 -0.000 0.000) 0.000 5.991 ( 0.000 -0.000 -0.000) 0.000 6.858 ( -2.467 -4.934 0.000) 5.516 6.858 ( 2.467 4.934 0.000) 5.516 7.382 ( -0.493 -0.986 0.000) 1.102 7.382 ( 0.493 0.986 0.000) 1.102 7.795 ( -0.000 -0.000 0.000) 0.000 9.981 ( -0.000 -0.000 0.000) 0.000 10.570 ( -2.935 -5.869 0.000) 6.562 10.570 ( 2.935 5.869 0.000) 6.562 13.938 ( -0.000 -0.000 0.000) 0.000 15.213 ( -2.066 -4.132 0.000) 4.620 15.213 ( 2.066 4.132 0.000) 4.620=================== 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 3/27000 10.0 10261.202 10261.202 12244.682 0.000 0.000 0.000 3/27000 20.0 3263.815 3263.815 3610.904 0.000 0.000 0.000 3/27000 30.0 1275.420 1275.420 1179.298 0.000 0.000 0.000 3/27000 40.0 584.866 584.866 493.152 0.000 0.000 0.000 3/27000 50.0 326.699 326.699 257.915 0.000 0.000 0.000 3/27000 60.0 211.836 211.836 159.596 0.000 0.000 0.000 3/27000 70.0 151.353 151.353 110.530 0.000 0.000 0.000 3/27000 80.0 115.320 115.320 82.566 0.000 0.000 0.000 3/27000 90.0 91.938 91.938 65.029 0.000 0.000 0.000 3/27000 100.0 75.812 75.812 53.230 0.000 0.000 0.000 3/27000 110.0 64.170 64.170 44.859 0.000 0.000 0.000 3/27000 120.0 55.457 55.457 38.668 0.000 0.000 0.000 3/27000 130.0 48.741 48.741 33.934 0.000 0.000 0.000 3/27000 140.0 43.434 43.434 30.213 0.000 0.000 0.000 3/27000 150.0 39.153 39.153 27.221 0.000 0.000 0.000 3/27000 160.0 35.636 35.636 24.769 0.000 0.000 0.000 3/27000 170.0 32.701 32.701 22.725 0.000 0.000 0.000 3/27000 180.0 30.219 30.219 20.998 0.000 0.000 0.000 3/27000 190.0 28.093 28.093 19.520 0.000 0.000 0.000 3/27000 200.0 26.254 26.254 18.241 0.000 0.000 0.000 3/27000 210.0 24.647 24.647 17.124 0.000 0.000 0.000 3/27000 220.0 23.232 23.232 16.140 0.000 0.000 0.000 3/27000 230.0 21.976 21.976 15.267 0.000 0.000 0.000 3/27000 240.0 20.853 20.853 14.486 0.000 0.000 0.000 3/27000 250.0 19.844 19.844 13.784 0.000 0.000 0.000 3/27000 260.0 18.932 18.932 13.150 0.000 0.000 0.000 3/27000 270.0 18.103 18.103 12.574 0.000 0.000 0.000 3/27000 280.0 17.346 17.346 12.047 0.000 0.000 0.000 3/27000 290.0 16.652 16.652 11.565 0.000 0.000 0.000 3/27000 300.0 16.014 16.014 11.121 0.000 0.000 0.000 3/27000 310.0 15.425 15.425 10.712 0.000 0.000 0.000 3/27000 320.0 14.879 14.879 10.332 0.000 0.000 0.000 3/27000 330.0 14.372 14.372 9.979 0.000 0.000 0.000 3/27000 340.0 13.900 13.900 9.651 0.000 0.000 0.000 3/27000 350.0 13.459 13.459 9.344 0.000 0.000 0.000 3/27000 360.0 13.045 13.045 9.057 0.000 0.000 0.000 3/27000 370.0 12.658 12.658 8.787 0.000 0.000 0.000 3/27000 380.0 12.293 12.293 8.534 0.000 0.000 0.000 3/27000 390.0 11.950 11.950 8.295 0.000 0.000 0.000 3/27000 400.0 11.625 11.625 8.070 0.000 0.000 0.000 3/27000 410.0 11.319 11.319 7.856 0.000 0.000 0.000 3/27000 420.0 11.028 11.028 7.655 0.000 0.000 0.000 3/27000 430.0 10.753 10.753 7.463 0.000 0.000 0.000 3/27000 440.0 10.491 10.491 7.281 0.000 0.000 0.000 3/27000 450.0 10.242 10.242 7.108 0.000 0.000 0.000 3/27000 460.0 10.005 10.005 6.944 0.000 0.000 0.000 3/27000 470.0 9.779 9.779 6.787 0.000 0.000 0.000 3/27000 480.0 9.563 9.563 6.637 0.000 0.000 0.000 3/27000 490.0 9.357 9.357 6.493 0.000 0.000 0.000 3/27000 500.0 9.160 9.160 6.356 0.000 0.000 0.000 3/27000 510.0 8.971 8.971 6.225 0.000 0.000 0.000 3/27000 520.0 8.790 8.790 6.099 0.000 0.000 0.000 3/27000 530.0 8.616 8.616 5.978 0.000 0.000 0.000 3/27000 540.0 8.449 8.449 5.862 0.000 0.000 0.000 3/27000 550.0 8.288 8.288 5.751 0.000 0.000 0.000 3/27000 560.0 8.134 8.134 5.643 0.000 0.000 0.000 3/27000 570.0 7.985 7.985 5.540 0.000 0.000 0.000 3/27000 580.0 7.842 7.842 5.441 0.000 0.000 0.000 3/27000 590.0 7.704 7.704 5.345 0.000 0.000 0.000 3/27000 600.0 7.571 7.571 5.252 0.000 0.000 0.000 3/27000 610.0 7.442 7.442 5.163 0.000 0.000 0.000 3/27000 620.0 7.318 7.318 5.077 0.000 0.000 0.000 3/27000 630.0 7.198 7.198 4.993 0.000 0.000 0.000 3/27000 640.0 7.082 7.082 4.913 0.000 0.000 0.000 3/27000 650.0 6.969 6.969 4.834 0.000 0.000 0.000 3/27000 660.0 6.860 6.860 4.759 0.000 0.000 0.000 3/27000 670.0 6.755 6.755 4.686 0.000 0.000 0.000 3/27000 680.0 6.653 6.653 4.615 0.000 0.000 0.000 3/27000 690.0 6.553 6.553 4.546 0.000 0.000 0.000 3/27000 700.0 6.457 6.457 4.479 0.000 0.000 0.000 3/27000 710.0 6.364 6.364 4.414 0.000 0.000 0.000 3/27000 720.0 6.273 6.273 4.351 0.000 0.000 0.000 3/27000 730.0 6.185 6.185 4.290 0.000 0.000 0.000 3/27000 740.0 6.100 6.100 4.231 0.000 0.000 0.000 3/27000 750.0 6.016 6.016 4.173 0.000 0.000 0.000 3/27000 760.0 5.935 5.935 4.117 0.000 0.000 0.000 3/27000 770.0 5.857 5.857 4.062 0.000 0.000 0.000 3/27000 780.0 5.780 5.780 4.009 0.000 0.000 0.000 3/27000 790.0 5.705 5.705 3.957 0.000 0.000 0.000 3/27000 800.0 5.632 5.632 3.906 0.000 0.000 0.000 3/27000 810.0 5.561 5.561 3.857 0.000 0.000 0.000 3/27000 820.0 5.492 5.492 3.809 0.000 0.000 0.000 3/27000 830.0 5.425 5.425 3.762 0.000 0.000 0.000 3/27000 840.0 5.359 5.359 3.717 0.000 0.000 0.000 3/27000 850.0 5.295 5.295 3.672 0.000 0.000 0.000 3/27000 860.0 5.232 5.232 3.629 0.000 0.000 0.000 3/27000 870.0 5.171 5.171 3.586 0.000 0.000 0.000 3/27000 880.0 5.111 5.111 3.545 0.000 0.000 0.000 3/27000 890.0 5.053 5.053 3.504 0.000 0.000 0.000 3/27000 900.0 4.996 4.996 3.465 0.000 0.000 0.000 3/27000 910.0 4.940 4.940 3.426 0.000 0.000 0.000 3/27000 920.0 4.886 4.886 3.388 0.000 0.000 0.000 3/27000 930.0 4.832 4.832 3.351 0.000 0.000 0.000 3/27000 940.0 4.780 4.780 3.315 0.000 0.000 0.000 3/27000 950.0 4.729 4.729 3.279 0.000 0.000 0.000 3/27000 960.0 4.679 4.679 3.245 0.000 0.000 0.000 3/27000 970.0 4.630 4.630 3.211 0.000 0.000 0.000 3/27000 980.0 4.582 4.582 3.178 0.000 0.000 0.000 3/27000 990.0 4.535 4.535 3.145 0.000 0.000 0.000 3/27000 1000.0 4.489 4.489 3.113 0.000 0.000 0.000 3/27000Thermal conductivity related properties were written into "kappa-m15158.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 00:11:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|