# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/76767e28-9149-472e-a098-8a0f93c4914a/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 KNO3 / Pnma (62) / materials id 9475](https://mdr.nims.go.jp/datasets/17855516-c7ee-489d-a7a2-c1db76955704) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-07 23:20:18]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pnma (62)Number of symmetry operations in supercell: 32------------------------------ primitive cell ------------------------------Lattice vectors: a 7.532840599999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.609524299999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.821683700000000Atomic positions (fractional): *1 N 0.34672774061722 0.75000000000000 0.36554412080465 14.007 2 N 0.65327225938278 0.25000000000000 0.63445587919535 14.007 3 N 0.15327225938278 0.25000000000000 0.86554412080465 14.007 4 N 0.84672774061722 0.75000000000000 0.13445587919535 14.007 *5 O 0.20063026873073 0.05513621958808 0.94310696068949 15.999 6 O 0.79936973126927 0.55513621958808 0.05689303931051 15.999 7 O 0.29936973126927 0.94486378041192 0.44310696068949 15.999 8 O 0.70063026873073 0.44486378041192 0.55689303931051 15.999 *9 O 0.94375443033258 0.75000000000000 0.28445104789089 15.999 10 O 0.05624556966742 0.25000000000000 0.71554895210911 15.999 11 O 0.55624556966742 0.25000000000000 0.78445104789089 15.999 12 O 0.44375443033258 0.75000000000000 0.21554895210911 15.999 13 O 0.79936973126927 0.94486378041192 0.05689303931051 15.999 14 O 0.20063026873073 0.44486378041192 0.94310696068949 15.999 15 O 0.70063026873073 0.05513621958808 0.55689303931051 15.999 16 O 0.29936973126927 0.55513621958808 0.44310696068949 15.999 *17 K 0.48576140427389 0.75000000000000 0.81064362797917 39.098 18 K 0.51423859572611 0.25000000000000 0.18935637202083 39.098 19 K 0.01423859572611 0.25000000000000 0.31064362797917 39.098 20 K 0.98576140427389 0.75000000000000 0.68935637202083 39.098-------------------------------- unit cell ---------------------------------Lattice vectors: a 7.532840599999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.609524299999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.821683700000000Atomic positions (fractional): *1 N 0.34672774061722 0.75000000000000 0.36554412080465 14.007 > 1 2 N 0.65327225938278 0.25000000000000 0.63445587919535 14.007 > 2 3 N 0.15327225938278 0.25000000000000 0.86554412080465 14.007 > 3 4 N 0.84672774061722 0.75000000000000 0.13445587919535 14.007 > 4 *5 O 0.20063026873073 0.05513621958808 0.94310696068949 15.999 > 5 6 O 0.79936973126927 0.55513621958808 0.05689303931051 15.999 > 6 7 O 0.29936973126927 0.94486378041192 0.44310696068949 15.999 > 7 8 O 0.70063026873073 0.44486378041192 0.55689303931051 15.999 > 8 *9 O 0.94375443033258 0.75000000000000 0.28445104789089 15.999 > 9 10 O 0.05624556966742 0.25000000000000 0.71554895210911 15.999 > 10 11 O 0.55624556966742 0.25000000000000 0.78445104789089 15.999 > 11 12 O 0.44375443033258 0.75000000000000 0.21554895210911 15.999 > 12 13 O 0.79936973126927 0.94486378041192 0.05689303931051 15.999 > 13 14 O 0.20063026873073 0.44486378041192 0.94310696068949 15.999 > 14 15 O 0.70063026873073 0.05513621958808 0.55689303931051 15.999 > 15 16 O 0.29936973126927 0.55513621958808 0.44310696068949 15.999 > 16 *17 K 0.48576140427389 0.75000000000000 0.81064362797917 39.098 > 17 18 K 0.51423859572611 0.25000000000000 0.18935637202083 39.098 > 18 19 K 0.01423859572611 0.25000000000000 0.31064362797917 39.098 > 19 20 K 0.98576140427389 0.75000000000000 0.68935637202083 39.098 > 20-------------------------------- super cell --------------------------------Lattice vectors: a 7.532840599999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.219048599999997 0.000000000000000 c 0.000000000000000 0.000000000000000 13.643367400000001Atomic positions (fractional): *1 N 0.34672774061722 0.37500000000000 0.18277206040233 14.007 > 1 2 N 0.34672774061722 0.87500000000000 0.18277206040233 14.007 > 1 3 N 0.34672774061722 0.37500000000000 0.68277206040233 14.007 > 1 4 N 0.34672774061722 0.87500000000000 0.68277206040233 14.007 > 1 5 N 0.65327225938278 0.12500000000000 0.31722793959767 14.007 > 2 6 N 0.65327225938278 0.62500000000000 0.31722793959767 14.007 > 2 7 N 0.65327225938278 0.12500000000000 0.81722793959767 14.007 > 2 8 N 0.65327225938278 0.62500000000000 0.81722793959767 14.007 > 2 9 N 0.15327225938278 0.12500000000000 0.43277206040233 14.007 > 3 10 N 0.15327225938278 0.62500000000000 0.43277206040233 14.007 > 3 11 N 0.15327225938278 0.12500000000000 0.93277206040233 14.007 > 3 12 N 0.15327225938278 0.62500000000000 0.93277206040233 14.007 > 3 13 N 0.84672774061722 0.37500000000000 0.06722793959767 14.007 > 4 14 N 0.84672774061722 0.87500000000000 0.06722793959767 14.007 > 4 15 N 0.84672774061722 0.37500000000000 0.56722793959767 14.007 > 4 16 N 0.84672774061722 0.87500000000000 0.56722793959767 14.007 > 4 *17 O 0.20063026873073 0.02756810979404 0.47155348034474 15.999 > 5 18 O 0.20063026873073 0.52756810979404 0.47155348034474 15.999 > 5 19 O 0.20063026873073 0.02756810979404 0.97155348034474 15.999 > 5 20 O 0.20063026873073 0.52756810979404 0.97155348034474 15.999 > 5 21 O 0.79936973126927 0.27756810979404 0.02844651965525 15.999 > 6 22 O 0.79936973126927 0.77756810979404 0.02844651965525 15.999 > 6 23 O 0.79936973126927 0.27756810979404 0.52844651965526 15.999 > 6 24 O 0.79936973126927 0.77756810979404 0.52844651965526 15.999 > 6 25 O 0.29936973126927 0.47243189020596 0.22155348034475 15.999 > 7 26 O 0.29936973126927 0.97243189020596 0.22155348034475 15.999 > 7 27 O 0.29936973126927 0.47243189020596 0.72155348034474 15.999 > 7 28 O 0.29936973126927 0.97243189020596 0.72155348034474 15.999 > 7 29 O 0.70063026873073 0.22243189020596 0.27844651965526 15.999 > 8 30 O 0.70063026873073 0.72243189020596 0.27844651965526 15.999 > 8 31 O 0.70063026873073 0.22243189020596 0.77844651965526 15.999 > 8 32 O 0.70063026873073 0.72243189020596 0.77844651965526 15.999 > 8 *33 O 0.94375443033258 0.37500000000000 0.14222552394545 15.999 > 9 34 O 0.94375443033258 0.87500000000000 0.14222552394545 15.999 > 9 35 O 0.94375443033258 0.37500000000000 0.64222552394545 15.999 > 9 36 O 0.94375443033258 0.87500000000000 0.64222552394545 15.999 > 9 37 O 0.05624556966742 0.12500000000000 0.35777447605455 15.999 > 10 38 O 0.05624556966742 0.62500000000000 0.35777447605455 15.999 > 10 39 O 0.05624556966742 0.12500000000000 0.85777447605455 15.999 > 10 40 O 0.05624556966742 0.62500000000000 0.85777447605455 15.999 > 10 41 O 0.55624556966742 0.12500000000000 0.39222552394545 15.999 > 11 42 O 0.55624556966742 0.62500000000000 0.39222552394545 15.999 > 11 43 O 0.55624556966742 0.12500000000000 0.89222552394545 15.999 > 11 44 O 0.55624556966742 0.62500000000000 0.89222552394545 15.999 > 11 45 O 0.44375443033258 0.37500000000000 0.10777447605455 15.999 > 12 46 O 0.44375443033258 0.87500000000000 0.10777447605455 15.999 > 12 47 O 0.44375443033258 0.37500000000000 0.60777447605455 15.999 > 12 48 O 0.44375443033258 0.87500000000000 0.60777447605455 15.999 > 12 49 O 0.79936973126927 0.47243189020596 0.02844651965525 15.999 > 13 50 O 0.79936973126927 0.97243189020596 0.02844651965525 15.999 > 13 51 O 0.79936973126927 0.47243189020596 0.52844651965526 15.999 > 13 52 O 0.79936973126927 0.97243189020596 0.52844651965526 15.999 > 13 53 O 0.20063026873073 0.22243189020596 0.47155348034474 15.999 > 14 54 O 0.20063026873073 0.72243189020596 0.47155348034474 15.999 > 14 55 O 0.20063026873073 0.22243189020596 0.97155348034474 15.999 > 14 56 O 0.20063026873073 0.72243189020596 0.97155348034474 15.999 > 14 57 O 0.70063026873073 0.02756810979404 0.27844651965526 15.999 > 15 58 O 0.70063026873073 0.52756810979404 0.27844651965526 15.999 > 15 59 O 0.70063026873073 0.02756810979404 0.77844651965526 15.999 > 15 60 O 0.70063026873073 0.52756810979404 0.77844651965526 15.999 > 15 61 O 0.29936973126927 0.27756810979404 0.22155348034475 15.999 > 16 62 O 0.29936973126927 0.77756810979404 0.22155348034475 15.999 > 16 63 O 0.29936973126927 0.27756810979404 0.72155348034474 15.999 > 16 64 O 0.29936973126927 0.77756810979404 0.72155348034474 15.999 > 16 *65 K 0.48576140427389 0.37500000000000 0.40532181398958 39.098 > 17 66 K 0.48576140427389 0.87500000000000 0.40532181398958 39.098 > 17 67 K 0.48576140427389 0.37500000000000 0.90532181398958 39.098 > 17 68 K 0.48576140427389 0.87500000000000 0.90532181398958 39.098 > 17 69 K 0.51423859572611 0.12500000000000 0.09467818601042 39.098 > 18 70 K 0.51423859572611 0.62500000000000 0.09467818601042 39.098 > 18 71 K 0.51423859572611 0.12500000000000 0.59467818601042 39.098 > 18 72 K 0.51423859572611 0.62500000000000 0.59467818601042 39.098 > 18 73 K 0.01423859572611 0.12500000000000 0.15532181398958 39.098 > 19 74 K 0.01423859572611 0.62500000000000 0.15532181398958 39.098 > 19 75 K 0.01423859572611 0.12500000000000 0.65532181398958 39.098 > 19 76 K 0.01423859572611 0.62500000000000 0.65532181398958 39.098 > 19 77 K 0.98576140427389 0.37500000000000 0.34467818601042 39.098 > 20 78 K 0.98576140427389 0.87500000000000 0.34467818601042 39.098 > 20 79 K 0.98576140427389 0.37500000000000 0.84467818601042 39.098 > 20 80 K 0.98576140427389 0.87500000000000 0.84467818601042 39.098 > 20----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 2.1031588 0.0000000 0.0000000 0.0000000 2.5525661 0.0000000 0.0000000 0.0000000 2.3233640-------------------------- Born effective charges -------------------------- 1 N 0.9263840 0.0000000 -1.1383496 0.0000000 2.7977292 0.0000000 -1.0754945 0.0000000 1.7295245 2 N 0.9263840 0.0000000 -1.1383496 0.0000000 2.7977292 0.0000000 -1.0754945 0.0000000 1.7295245 3 N 0.9263840 0.0000000 1.1383496 0.0000000 2.7977292 0.0000000 1.0754945 0.0000000 1.7295245 4 N 0.9263840 0.0000000 1.1383496 0.0000000 2.7977292 0.0000000 1.0754945 0.0000000 1.7295245 5 O -0.6472357 0.2824787 -0.2505371 0.2795614 -1.6382843 0.3920259 -0.2362763 0.3588946 -0.7987517 6 O -0.6472357 -0.2824787 -0.2505371 -0.2795614 -1.6382843 -0.3920259 -0.2362763 -0.3588946 -0.7987517 7 O -0.6472357 0.2824787 0.2505371 0.2795614 -1.6382843 -0.3920259 0.2362763 -0.3588946 -0.7987517 8 O -0.6472357 -0.2824787 0.2505371 -0.2795614 -1.6382843 0.3920259 0.2362763 0.3588946 -0.7987517 9 O -0.8090367 0.0000000 -0.6854626 0.0000000 -0.8006674 0.0000000 -0.6665557 0.0000000 -1.3848881 10 O -0.8090367 0.0000000 -0.6854626 0.0000000 -0.8006674 0.0000000 -0.6665557 0.0000000 -1.3848881 11 O -0.8090367 0.0000000 0.6854626 0.0000000 -0.8006674 0.0000000 0.6665557 0.0000000 -1.3848881 12 O -0.8090367 0.0000000 0.6854626 0.0000000 -0.8006674 0.0000000 0.6665557 0.0000000 -1.3848881 13 O -0.6472357 0.2824787 -0.2505371 0.2795614 -1.6382843 0.3920259 -0.2362763 0.3588946 -0.7987517 14 O -0.6472357 -0.2824787 -0.2505371 -0.2795614 -1.6382843 -0.3920259 -0.2362763 -0.3588946 -0.7987517 15 O -0.6472357 0.2824787 0.2505371 0.2795614 -1.6382843 -0.3920259 0.2362763 -0.3588946 -0.7987517 16 O -0.6472357 -0.2824787 0.2505371 -0.2795614 -1.6382843 0.3920259 0.2362763 0.3588946 -0.7987517 17 K 1.1771242 0.0000000 -0.0540816 0.0000000 1.2795068 0.0000000 0.1259509 0.0000000 1.2528669 18 K 1.1771242 0.0000000 -0.0540816 0.0000000 1.2795068 0.0000000 0.1259509 0.0000000 1.2528669 19 K 1.1771242 0.0000000 0.0540816 0.0000000 1.2795068 0.0000000 -0.1259509 0.0000000 1.2528669 20 K 1.1771242 0.0000000 0.0540816 0.0000000 1.2795068 0.0000000 -0.1259509 0.0000000 1.2528669----------------------------------------------------------------------------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: 240/240Permutation basis: 7440/7440Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 993Number of blocks in projector: 993Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 236Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 164Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 164Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 143Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 143Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 143Use standard eigh solver.Tree of FC basis block matrices:- (993, 969), data: False|-- (143, 139), data: True|-- (143, 139), data: True|-- (143, 139), data: True|-- (164, 162), data: True|-- (164, 162), data: True|-- (236, 228), data: True-----Solver_atoms: 1 -- 80 / 80Time (Solver_compr_matrix_reshape): 0.002Solver_block: 100 / 320 - Time: 0.729Solver_block: 200 / 320 - Time: 0.731Solver_block: 300 / 320 - Time: 0.729Solver_block: 320 / 320 - Time: 0.186Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.390--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 240/240Permutation basis: 7440/7440Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 993Number of blocks in projector: 993Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 236Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 164Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 164Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 143Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 143Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 143Use standard eigh solver.Tree of FC basis block matrices:- (993, 969), data: False|-- (143, 139), data: True|-- (143, 139), data: True|-- (143, 139), data: True|-- (164, 162), data: True|-- (164, 162), data: True|-- (236, 228), 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 2026-01-07 23:20:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 23:20:31]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [1 2 2]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pnma (62)------------------------------ primitive cell ------------------------------Lattice vectors: a 7.532840599999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.609524299999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.821683700000000Atomic positions (fractional): 1 N 0.34672774061722 0.75000000000000 0.36554412080465 14.007 2 N 0.65327225938278 0.25000000000000 0.63445587919535 14.007 3 N 0.15327225938278 0.25000000000000 0.86554412080465 14.007 4 N 0.84672774061722 0.75000000000000 0.13445587919535 14.007 5 O 0.20063026873073 0.05513621958808 0.94310696068949 15.999 6 O 0.79936973126927 0.55513621958808 0.05689303931051 15.999 7 O 0.29936973126927 0.94486378041192 0.44310696068949 15.999 8 O 0.70063026873073 0.44486378041192 0.55689303931051 15.999 9 O 0.94375443033258 0.75000000000000 0.28445104789089 15.999 10 O 0.05624556966742 0.25000000000000 0.71554895210911 15.999 11 O 0.55624556966742 0.25000000000000 0.78445104789089 15.999 12 O 0.44375443033258 0.75000000000000 0.21554895210911 15.999 13 O 0.79936973126927 0.94486378041192 0.05689303931051 15.999 14 O 0.20063026873073 0.44486378041192 0.94310696068949 15.999 15 O 0.70063026873073 0.05513621958808 0.55689303931051 15.999 16 O 0.29936973126927 0.55513621958808 0.44310696068949 15.999 17 K 0.48576140427389 0.75000000000000 0.81064362797917 39.098 18 K 0.51423859572611 0.25000000000000 0.18935637202083 39.098 19 K 0.01423859572611 0.25000000000000 0.31064362797917 39.098 20 K 0.98576140427389 0.75000000000000 0.68935637202083 39.098-------------------------------- supercell ---------------------------------Lattice vectors: a 7.532840599999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.219048599999997 0.000000000000000 c 0.000000000000000 0.000000000000000 13.643367400000001Atomic positions (fractional): 1 N 0.34672774061722 0.37500000000000 0.18277206040233 14.007 > 1 2 N 0.34672774061722 0.87500000000000 0.18277206040233 14.007 > 1 3 N 0.34672774061722 0.37500000000000 0.68277206040233 14.007 > 1 4 N 0.34672774061722 0.87500000000000 0.68277206040233 14.007 > 1 5 N 0.65327225938278 0.12500000000000 0.31722793959767 14.007 > 5 6 N 0.65327225938278 0.62500000000000 0.31722793959767 14.007 > 5 7 N 0.65327225938278 0.12500000000000 0.81722793959767 14.007 > 5 8 N 0.65327225938278 0.62500000000000 0.81722793959767 14.007 > 5 9 N 0.15327225938278 0.12500000000000 0.43277206040233 14.007 > 9 10 N 0.15327225938278 0.62500000000000 0.43277206040233 14.007 > 9 11 N 0.15327225938278 0.12500000000000 0.93277206040233 14.007 > 9 12 N 0.15327225938278 0.62500000000000 0.93277206040233 14.007 > 9 13 N 0.84672774061722 0.37500000000000 0.06722793959767 14.007 > 13 14 N 0.84672774061722 0.87500000000000 0.06722793959767 14.007 > 13 15 N 0.84672774061722 0.37500000000000 0.56722793959767 14.007 > 13 16 N 0.84672774061722 0.87500000000000 0.56722793959767 14.007 > 13 17 O 0.20063026873073 0.02756810979404 0.47155348034474 15.999 > 17 18 O 0.20063026873073 0.52756810979404 0.47155348034474 15.999 > 17 19 O 0.20063026873073 0.02756810979404 0.97155348034474 15.999 > 17 20 O 0.20063026873073 0.52756810979404 0.97155348034474 15.999 > 17 21 O 0.79936973126927 0.27756810979404 0.02844651965525 15.999 > 21 22 O 0.79936973126927 0.77756810979404 0.02844651965525 15.999 > 21 23 O 0.79936973126927 0.27756810979404 0.52844651965526 15.999 > 21 24 O 0.79936973126927 0.77756810979404 0.52844651965526 15.999 > 21 25 O 0.29936973126927 0.47243189020596 0.22155348034475 15.999 > 25 26 O 0.29936973126927 0.97243189020596 0.22155348034475 15.999 > 25 27 O 0.29936973126927 0.47243189020596 0.72155348034474 15.999 > 25 28 O 0.29936973126927 0.97243189020596 0.72155348034474 15.999 > 25 29 O 0.70063026873073 0.22243189020596 0.27844651965526 15.999 > 29 30 O 0.70063026873073 0.72243189020596 0.27844651965526 15.999 > 29 31 O 0.70063026873073 0.22243189020596 0.77844651965526 15.999 > 29 32 O 0.70063026873073 0.72243189020596 0.77844651965526 15.999 > 29 33 O 0.94375443033258 0.37500000000000 0.14222552394545 15.999 > 33 34 O 0.94375443033258 0.87500000000000 0.14222552394545 15.999 > 33 35 O 0.94375443033258 0.37500000000000 0.64222552394545 15.999 > 33 36 O 0.94375443033258 0.87500000000000 0.64222552394545 15.999 > 33 37 O 0.05624556966742 0.12500000000000 0.35777447605455 15.999 > 37 38 O 0.05624556966742 0.62500000000000 0.35777447605455 15.999 > 37 39 O 0.05624556966742 0.12500000000000 0.85777447605455 15.999 > 37 40 O 0.05624556966742 0.62500000000000 0.85777447605455 15.999 > 37 41 O 0.55624556966742 0.12500000000000 0.39222552394545 15.999 > 41 42 O 0.55624556966742 0.62500000000000 0.39222552394545 15.999 > 41 43 O 0.55624556966742 0.12500000000000 0.89222552394545 15.999 > 41 44 O 0.55624556966742 0.62500000000000 0.89222552394545 15.999 > 41 45 O 0.44375443033258 0.37500000000000 0.10777447605455 15.999 > 45 46 O 0.44375443033258 0.87500000000000 0.10777447605455 15.999 > 45 47 O 0.44375443033258 0.37500000000000 0.60777447605455 15.999 > 45 48 O 0.44375443033258 0.87500000000000 0.60777447605455 15.999 > 45 49 O 0.79936973126927 0.47243189020596 0.02844651965525 15.999 > 49 50 O 0.79936973126927 0.97243189020596 0.02844651965525 15.999 > 49 51 O 0.79936973126927 0.47243189020596 0.52844651965526 15.999 > 49 52 O 0.79936973126927 0.97243189020596 0.52844651965526 15.999 > 49 53 O 0.20063026873073 0.22243189020596 0.47155348034474 15.999 > 53 54 O 0.20063026873073 0.72243189020596 0.47155348034474 15.999 > 53 55 O 0.20063026873073 0.22243189020596 0.97155348034474 15.999 > 53 56 O 0.20063026873073 0.72243189020596 0.97155348034474 15.999 > 53 57 O 0.70063026873073 0.02756810979404 0.27844651965526 15.999 > 57 58 O 0.70063026873073 0.52756810979404 0.27844651965526 15.999 > 57 59 O 0.70063026873073 0.02756810979404 0.77844651965526 15.999 > 57 60 O 0.70063026873073 0.52756810979404 0.77844651965526 15.999 > 57 61 O 0.29936973126927 0.27756810979404 0.22155348034475 15.999 > 61 62 O 0.29936973126927 0.77756810979404 0.22155348034475 15.999 > 61 63 O 0.29936973126927 0.27756810979404 0.72155348034474 15.999 > 61 64 O 0.29936973126927 0.77756810979404 0.72155348034474 15.999 > 61 65 K 0.48576140427389 0.37500000000000 0.40532181398958 39.098 > 65 66 K 0.48576140427389 0.87500000000000 0.40532181398958 39.098 > 65 67 K 0.48576140427389 0.37500000000000 0.90532181398958 39.098 > 65 68 K 0.48576140427389 0.87500000000000 0.90532181398958 39.098 > 65 69 K 0.51423859572611 0.12500000000000 0.09467818601042 39.098 > 69 70 K 0.51423859572611 0.62500000000000 0.09467818601042 39.098 > 69 71 K 0.51423859572611 0.12500000000000 0.59467818601042 39.098 > 69 72 K 0.51423859572611 0.62500000000000 0.59467818601042 39.098 > 69 73 K 0.01423859572611 0.12500000000000 0.15532181398958 39.098 > 73 74 K 0.01423859572611 0.62500000000000 0.15532181398958 39.098 > 73 75 K 0.01423859572611 0.12500000000000 0.65532181398958 39.098 > 73 76 K 0.01423859572611 0.62500000000000 0.65532181398958 39.098 > 73 77 K 0.98576140427389 0.37500000000000 0.34467818601042 39.098 > 77 78 K 0.98576140427389 0.87500000000000 0.34467818601042 39.098 > 77 79 K 0.98576140427389 0.37500000000000 0.84467818601042 39.098 > 77 80 K 0.98576140427389 0.87500000000000 0.84467818601042 39.098 > 77----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 2.1031588 0.0000000 0.0000000 0.0000000 2.5525661 0.0000000 0.0000000 0.0000000 2.3233640-------------------------- Born effective charges -------------------------- 1 N 0.9263840 0.0000000 -1.1383496 0.0000000 2.7977292 0.0000000 -1.0754945 0.0000000 1.7295245 2 N 0.9263840 0.0000000 -1.1383496 0.0000000 2.7977292 0.0000000 -1.0754945 0.0000000 1.7295245 3 N 0.9263840 0.0000000 1.1383496 0.0000000 2.7977292 0.0000000 1.0754945 0.0000000 1.7295245 4 N 0.9263840 0.0000000 1.1383496 0.0000000 2.7977292 0.0000000 1.0754945 0.0000000 1.7295245 5 O -0.6472357 0.2824787 -0.2505371 0.2795614 -1.6382843 0.3920259 -0.2362763 0.3588946 -0.7987517 6 O -0.6472357 -0.2824787 -0.2505371 -0.2795614 -1.6382843 -0.3920259 -0.2362763 -0.3588946 -0.7987517 7 O -0.6472357 0.2824787 0.2505371 0.2795614 -1.6382843 -0.3920259 0.2362763 -0.3588946 -0.7987517 8 O -0.6472357 -0.2824787 0.2505371 -0.2795614 -1.6382843 0.3920259 0.2362763 0.3588946 -0.7987517 9 O -0.8090367 0.0000000 -0.6854626 0.0000000 -0.8006674 0.0000000 -0.6665557 0.0000000 -1.3848881 10 O -0.8090367 0.0000000 -0.6854626 0.0000000 -0.8006674 0.0000000 -0.6665557 0.0000000 -1.3848881 11 O -0.8090367 0.0000000 0.6854626 0.0000000 -0.8006674 0.0000000 0.6665557 0.0000000 -1.3848881 12 O -0.8090367 0.0000000 0.6854626 0.0000000 -0.8006674 0.0000000 0.6665557 0.0000000 -1.3848881 13 O -0.6472357 0.2824787 -0.2505371 0.2795614 -1.6382843 0.3920259 -0.2362763 0.3588946 -0.7987517 14 O -0.6472357 -0.2824787 -0.2505371 -0.2795614 -1.6382843 -0.3920259 -0.2362763 -0.3588946 -0.7987517 15 O -0.6472357 0.2824787 0.2505371 0.2795614 -1.6382843 -0.3920259 0.2362763 -0.3588946 -0.7987517 16 O -0.6472357 -0.2824787 0.2505371 -0.2795614 -1.6382843 0.3920259 0.2362763 0.3588946 -0.7987517 17 K 1.1771242 0.0000000 -0.0540816 0.0000000 1.2795068 0.0000000 0.1259509 0.0000000 1.2528669 18 K 1.1771242 0.0000000 -0.0540816 0.0000000 1.2795068 0.0000000 0.1259509 0.0000000 1.2528669 19 K 1.1771242 0.0000000 0.0540816 0.0000000 1.2795068 0.0000000 -0.1259509 0.0000000 1.2528669 20 K 1.1771242 0.0000000 0.0540816 0.0000000 1.2795068 0.0000000 -0.1259509 0.0000000 1.2528669----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 17, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 33, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 65, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: 0.00000031 (xxx) 0.00000031 (xxx) 0.00000031 (xxx)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000002 (xz) 0.00000002 (xz) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 23:20:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 23:20:41]-------------------------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): [1 2 2]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pnma (62)------------------------------ primitive cell ------------------------------Lattice vectors: a 7.532840599999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.609524299999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.821683700000000Atomic positions (fractional): 1 N 0.34672774061722 0.75000000000000 0.36554412080465 14.007 2 N 0.65327225938278 0.25000000000000 0.63445587919535 14.007 3 N 0.15327225938278 0.25000000000000 0.86554412080465 14.007 4 N 0.84672774061722 0.75000000000000 0.13445587919535 14.007 5 O 0.20063026873073 0.05513621958808 0.94310696068949 15.999 6 O 0.79936973126927 0.55513621958808 0.05689303931051 15.999 7 O 0.29936973126927 0.94486378041192 0.44310696068949 15.999 8 O 0.70063026873073 0.44486378041192 0.55689303931051 15.999 9 O 0.94375443033258 0.75000000000000 0.28445104789089 15.999 10 O 0.05624556966742 0.25000000000000 0.71554895210911 15.999 11 O 0.55624556966742 0.25000000000000 0.78445104789089 15.999 12 O 0.44375443033258 0.75000000000000 0.21554895210911 15.999 13 O 0.79936973126927 0.94486378041192 0.05689303931051 15.999 14 O 0.20063026873073 0.44486378041192 0.94310696068949 15.999 15 O 0.70063026873073 0.05513621958808 0.55689303931051 15.999 16 O 0.29936973126927 0.55513621958808 0.44310696068949 15.999 17 K 0.48576140427389 0.75000000000000 0.81064362797917 39.098 18 K 0.51423859572611 0.25000000000000 0.18935637202083 39.098 19 K 0.01423859572611 0.25000000000000 0.31064362797917 39.098 20 K 0.98576140427389 0.75000000000000 0.68935637202083 39.098-------------------------------- supercell ---------------------------------Lattice vectors: a 7.532840599999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.219048599999997 0.000000000000000 c 0.000000000000000 0.000000000000000 13.643367400000001Atomic positions (fractional): 1 N 0.34672774061722 0.37500000000000 0.18277206040233 14.007 > 1 2 N 0.34672774061722 0.87500000000000 0.18277206040233 14.007 > 1 3 N 0.34672774061722 0.37500000000000 0.68277206040233 14.007 > 1 4 N 0.34672774061722 0.87500000000000 0.68277206040233 14.007 > 1 5 N 0.65327225938278 0.12500000000000 0.31722793959767 14.007 > 5 6 N 0.65327225938278 0.62500000000000 0.31722793959767 14.007 > 5 7 N 0.65327225938278 0.12500000000000 0.81722793959767 14.007 > 5 8 N 0.65327225938278 0.62500000000000 0.81722793959767 14.007 > 5 9 N 0.15327225938278 0.12500000000000 0.43277206040233 14.007 > 9 10 N 0.15327225938278 0.62500000000000 0.43277206040233 14.007 > 9 11 N 0.15327225938278 0.12500000000000 0.93277206040233 14.007 > 9 12 N 0.15327225938278 0.62500000000000 0.93277206040233 14.007 > 9 13 N 0.84672774061722 0.37500000000000 0.06722793959767 14.007 > 13 14 N 0.84672774061722 0.87500000000000 0.06722793959767 14.007 > 13 15 N 0.84672774061722 0.37500000000000 0.56722793959767 14.007 > 13 16 N 0.84672774061722 0.87500000000000 0.56722793959767 14.007 > 13 17 O 0.20063026873073 0.02756810979404 0.47155348034474 15.999 > 17 18 O 0.20063026873073 0.52756810979404 0.47155348034474 15.999 > 17 19 O 0.20063026873073 0.02756810979404 0.97155348034474 15.999 > 17 20 O 0.20063026873073 0.52756810979404 0.97155348034474 15.999 > 17 21 O 0.79936973126927 0.27756810979404 0.02844651965525 15.999 > 21 22 O 0.79936973126927 0.77756810979404 0.02844651965525 15.999 > 21 23 O 0.79936973126927 0.27756810979404 0.52844651965526 15.999 > 21 24 O 0.79936973126927 0.77756810979404 0.52844651965526 15.999 > 21 25 O 0.29936973126927 0.47243189020596 0.22155348034475 15.999 > 25 26 O 0.29936973126927 0.97243189020596 0.22155348034475 15.999 > 25 27 O 0.29936973126927 0.47243189020596 0.72155348034474 15.999 > 25 28 O 0.29936973126927 0.97243189020596 0.72155348034474 15.999 > 25 29 O 0.70063026873073 0.22243189020596 0.27844651965526 15.999 > 29 30 O 0.70063026873073 0.72243189020596 0.27844651965526 15.999 > 29 31 O 0.70063026873073 0.22243189020596 0.77844651965526 15.999 > 29 32 O 0.70063026873073 0.72243189020596 0.77844651965526 15.999 > 29 33 O 0.94375443033258 0.37500000000000 0.14222552394545 15.999 > 33 34 O 0.94375443033258 0.87500000000000 0.14222552394545 15.999 > 33 35 O 0.94375443033258 0.37500000000000 0.64222552394545 15.999 > 33 36 O 0.94375443033258 0.87500000000000 0.64222552394545 15.999 > 33 37 O 0.05624556966742 0.12500000000000 0.35777447605455 15.999 > 37 38 O 0.05624556966742 0.62500000000000 0.35777447605455 15.999 > 37 39 O 0.05624556966742 0.12500000000000 0.85777447605455 15.999 > 37 40 O 0.05624556966742 0.62500000000000 0.85777447605455 15.999 > 37 41 O 0.55624556966742 0.12500000000000 0.39222552394545 15.999 > 41 42 O 0.55624556966742 0.62500000000000 0.39222552394545 15.999 > 41 43 O 0.55624556966742 0.12500000000000 0.89222552394545 15.999 > 41 44 O 0.55624556966742 0.62500000000000 0.89222552394545 15.999 > 41 45 O 0.44375443033258 0.37500000000000 0.10777447605455 15.999 > 45 46 O 0.44375443033258 0.87500000000000 0.10777447605455 15.999 > 45 47 O 0.44375443033258 0.37500000000000 0.60777447605455 15.999 > 45 48 O 0.44375443033258 0.87500000000000 0.60777447605455 15.999 > 45 49 O 0.79936973126927 0.47243189020596 0.02844651965525 15.999 > 49 50 O 0.79936973126927 0.97243189020596 0.02844651965525 15.999 > 49 51 O 0.79936973126927 0.47243189020596 0.52844651965526 15.999 > 49 52 O 0.79936973126927 0.97243189020596 0.52844651965526 15.999 > 49 53 O 0.20063026873073 0.22243189020596 0.47155348034474 15.999 > 53 54 O 0.20063026873073 0.72243189020596 0.47155348034474 15.999 > 53 55 O 0.20063026873073 0.22243189020596 0.97155348034474 15.999 > 53 56 O 0.20063026873073 0.72243189020596 0.97155348034474 15.999 > 53 57 O 0.70063026873073 0.02756810979404 0.27844651965526 15.999 > 57 58 O 0.70063026873073 0.52756810979404 0.27844651965526 15.999 > 57 59 O 0.70063026873073 0.02756810979404 0.77844651965526 15.999 > 57 60 O 0.70063026873073 0.52756810979404 0.77844651965526 15.999 > 57 61 O 0.29936973126927 0.27756810979404 0.22155348034475 15.999 > 61 62 O 0.29936973126927 0.77756810979404 0.22155348034475 15.999 > 61 63 O 0.29936973126927 0.27756810979404 0.72155348034474 15.999 > 61 64 O 0.29936973126927 0.77756810979404 0.72155348034474 15.999 > 61 65 K 0.48576140427389 0.37500000000000 0.40532181398958 39.098 > 65 66 K 0.48576140427389 0.87500000000000 0.40532181398958 39.098 > 65 67 K 0.48576140427389 0.37500000000000 0.90532181398958 39.098 > 65 68 K 0.48576140427389 0.87500000000000 0.90532181398958 39.098 > 65 69 K 0.51423859572611 0.12500000000000 0.09467818601042 39.098 > 69 70 K 0.51423859572611 0.62500000000000 0.09467818601042 39.098 > 69 71 K 0.51423859572611 0.12500000000000 0.59467818601042 39.098 > 69 72 K 0.51423859572611 0.62500000000000 0.59467818601042 39.098 > 69 73 K 0.01423859572611 0.12500000000000 0.15532181398958 39.098 > 73 74 K 0.01423859572611 0.62500000000000 0.15532181398958 39.098 > 73 75 K 0.01423859572611 0.12500000000000 0.65532181398958 39.098 > 73 76 K 0.01423859572611 0.62500000000000 0.65532181398958 39.098 > 73 77 K 0.98576140427389 0.37500000000000 0.34467818601042 39.098 > 77 78 K 0.98576140427389 0.87500000000000 0.34467818601042 39.098 > 77 79 K 0.98576140427389 0.37500000000000 0.84467818601042 39.098 > 77 80 K 0.98576140427389 0.87500000000000 0.84467818601042 39.098 > 77----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 2.1031588 0.0000000 0.0000000 0.0000000 2.5525661 0.0000000 0.0000000 0.0000000 2.3233640-------------------------- Born effective charges -------------------------- 1 N 0.9263840 0.0000000 -1.1383496 0.0000000 2.7977292 0.0000000 -1.0754945 0.0000000 1.7295245 2 N 0.9263840 0.0000000 -1.1383496 0.0000000 2.7977292 0.0000000 -1.0754945 0.0000000 1.7295245 3 N 0.9263840 0.0000000 1.1383496 0.0000000 2.7977292 0.0000000 1.0754945 0.0000000 1.7295245 4 N 0.9263840 0.0000000 1.1383496 0.0000000 2.7977292 0.0000000 1.0754945 0.0000000 1.7295245 5 O -0.6472357 0.2824787 -0.2505371 0.2795614 -1.6382843 0.3920259 -0.2362763 0.3588946 -0.7987517 6 O -0.6472357 -0.2824787 -0.2505371 -0.2795614 -1.6382843 -0.3920259 -0.2362763 -0.3588946 -0.7987517 7 O -0.6472357 0.2824787 0.2505371 0.2795614 -1.6382843 -0.3920259 0.2362763 -0.3588946 -0.7987517 8 O -0.6472357 -0.2824787 0.2505371 -0.2795614 -1.6382843 0.3920259 0.2362763 0.3588946 -0.7987517 9 O -0.8090367 0.0000000 -0.6854626 0.0000000 -0.8006674 0.0000000 -0.6665557 0.0000000 -1.3848881 10 O -0.8090367 0.0000000 -0.6854626 0.0000000 -0.8006674 0.0000000 -0.6665557 0.0000000 -1.3848881 11 O -0.8090367 0.0000000 0.6854626 0.0000000 -0.8006674 0.0000000 0.6665557 0.0000000 -1.3848881 12 O -0.8090367 0.0000000 0.6854626 0.0000000 -0.8006674 0.0000000 0.6665557 0.0000000 -1.3848881 13 O -0.6472357 0.2824787 -0.2505371 0.2795614 -1.6382843 0.3920259 -0.2362763 0.3588946 -0.7987517 14 O -0.6472357 -0.2824787 -0.2505371 -0.2795614 -1.6382843 -0.3920259 -0.2362763 -0.3588946 -0.7987517 15 O -0.6472357 0.2824787 0.2505371 0.2795614 -1.6382843 -0.3920259 0.2362763 -0.3588946 -0.7987517 16 O -0.6472357 -0.2824787 0.2505371 -0.2795614 -1.6382843 0.3920259 0.2362763 0.3588946 -0.7987517 17 K 1.1771242 0.0000000 -0.0540816 0.0000000 1.2795068 0.0000000 0.1259509 0.0000000 1.2528669 18 K 1.1771242 0.0000000 -0.0540816 0.0000000 1.2795068 0.0000000 0.1259509 0.0000000 1.2528669 19 K 1.1771242 0.0000000 0.0540816 0.0000000 1.2795068 0.0000000 -0.1259509 0.0000000 1.2528669 20 K 1.1771242 0.0000000 0.0540816 0.0000000 1.2795068 0.0000000 -0.1259509 0.0000000 1.2528669----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000031 (xxx) 0.00000031 (xxx) 0.00000031 (xxx)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 ... [ 7 9 7 ]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: 0.63, Number of G-points: 319, Lambda: 0.10Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/80) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 80Calculating 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 1.640 ( 0.000 0.000 0.000) 0.000 1.777 ( 0.000 0.000 0.000) 0.000 2.108 ( 0.000 0.000 0.000) 0.000 2.130 ( 0.000 0.000 0.000) 0.000 2.213 ( 0.000 0.000 0.000) 0.000 2.366 ( 0.000 0.000 0.000) 0.000 2.539 ( 0.000 0.000 0.000) 0.000 2.698 ( 0.000 0.000 0.000) 0.000 2.724 ( 0.000 0.000 0.000) 0.000 2.840 ( 0.000 0.000 0.000) 0.000 2.946 ( 0.000 0.000 0.000) 0.000 2.972 ( 0.000 0.000 0.000) 0.000 3.001 ( 0.000 0.000 0.000) 0.000 3.133 ( 0.000 0.000 0.000) 0.000 3.248 ( 0.000 0.000 0.000) 0.000 3.335 ( 0.000 0.000 0.000) 0.000 3.352 ( 0.000 0.000 0.000) 0.000 3.559 ( 0.000 0.000 0.000) 0.000 3.704 ( 0.000 0.000 0.000) 0.000 3.754 ( 0.000 0.000 0.000) 0.000 3.928 ( 0.000 0.000 0.000) 0.000 4.053 ( 0.000 0.000 0.000) 0.000 4.055 ( 0.000 0.000 0.000) 0.000 4.165 ( 0.000 0.000 0.000) 0.000 4.361 ( 0.000 0.000 0.000) 0.000 4.476 ( 0.000 0.000 0.000) 0.000 4.581 ( 0.000 0.000 0.000) 0.000 4.619 ( 0.000 0.000 0.000) 0.000 4.774 ( 0.000 0.000 0.000) 0.000 4.834 ( 0.000 0.000 0.000) 0.000 4.838 ( 0.000 0.000 0.000) 0.000 4.890 ( 0.000 0.000 0.000) 0.000 5.109 ( 0.000 0.000 0.000) 0.000 20.930 ( 0.000 0.000 0.000) 0.000 20.942 ( 0.000 0.000 0.000) 0.000 20.983 ( 0.000 0.000 0.000) 0.000 20.989 ( 0.000 0.000 0.000) 0.000 21.120 ( 0.000 0.000 0.000) 0.000 21.135 ( 0.000 0.000 0.000) 0.000 21.150 ( 0.000 0.000 0.000) 0.000 21.213 ( 0.000 0.000 0.000) 0.000 24.127 ( 0.000 0.000 0.000) 0.000 24.167 ( 0.000 0.000 0.000) 0.000 24.189 ( 0.000 0.000 0.000) 0.000 24.211 ( 0.000 0.000 0.000) 0.000 32.170 ( 0.000 0.000 0.000) 0.000 32.178 ( 0.000 0.000 0.000) 0.000 32.179 ( 0.000 0.000 0.000) 0.000 32.191 ( 0.000 0.000 0.000) 0.000 40.452 ( 0.000 0.000 0.000) 0.000 41.320 ( 0.000 0.000 0.000) 0.000 41.383 ( 0.000 0.000 0.000) 0.000 41.855 ( 0.000 0.000 0.000) 0.000 42.109 ( 0.000 0.000 0.000) 0.000 42.612 ( 0.000 0.000 0.000) 0.000 42.829 ( 0.000 0.000 0.000) 0.000 43.397 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/80) =======================q-point: ( 0.14 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.387 ( 20.237 0.000 0.000) 20.237 0.429 ( 22.196 0.000 0.000) 22.196 0.679 ( 35.308 0.000 0.000) 35.308 1.672 ( 3.266 0.000 0.000) 3.266 1.824 ( 3.147 0.000 0.000) 3.147 1.990 ( -10.274 0.000 0.000) 10.274 2.120 ( -4.759 0.000 0.000) 4.759 2.217 ( -1.241 0.000 0.000) 1.241 2.373 ( 0.733 0.000 0.000) 0.733 2.562 ( 2.124 0.000 0.000) 2.124 2.730 ( 2.744 0.000 0.000) 2.744 2.786 ( 5.361 0.000 0.000) 5.361 2.814 ( -2.410 0.000 0.000) 2.410 2.949 ( 0.289 0.000 0.000) 0.289 2.972 ( -0.006 0.000 0.000) 0.006 3.171 ( 3.799 0.000 0.000) 3.799 3.215 ( -3.348 0.000 0.000) 3.348 3.343 ( 0.817 0.000 0.000) 0.817 3.368 ( 1.487 0.000 0.000) 1.487 3.456 ( -9.270 0.000 0.000) 9.270 3.696 ( -1.678 0.000 0.000) 1.678 3.712 ( -3.059 0.000 0.000) 3.059 3.804 ( -0.742 0.000 0.000) 0.742 4.021 ( -1.538 0.000 0.000) 1.538 4.099 ( 2.216 0.000 0.000) 2.216 4.146 ( -1.717 0.000 0.000) 1.717 4.386 ( 2.654 0.000 0.000) 2.654 4.472 ( -0.075 0.000 0.000) 0.075 4.567 ( -0.436 0.000 0.000) 0.436 4.610 ( -0.880 0.000 0.000) 0.880 4.623 ( 3.940 0.000 0.000) 3.940 4.675 ( -7.787 0.000 0.000) 7.787 4.866 ( -2.483 0.000 0.000) 2.483 4.997 ( 7.975 0.000 0.000) 7.975 5.089 ( -2.117 0.000 0.000) 2.117 5.332 ( -0.133 0.000 0.000) 0.133 20.930 ( 0.002 0.000 0.000) 0.002 20.940 ( -0.124 0.000 0.000) 0.124 20.984 ( 0.098 0.000 0.000) 0.098 20.990 ( 0.045 0.000 0.000) 0.045 21.122 ( 0.259 0.000 0.000) 0.259 21.135 ( 0.093 0.000 0.000) 0.093 21.152 ( 0.219 0.000 0.000) 0.219 21.215 ( -0.492 0.000 0.000) 0.492 24.168 ( 0.126 0.000 0.000) 0.126 24.186 ( 0.131 0.000 0.000) 0.131 24.188 ( -0.110 0.000 0.000) 0.110 24.210 ( -0.128 0.000 0.000) 0.128 32.165 ( -0.598 0.000 0.000) 0.598 32.171 ( -0.286 0.000 0.000) 0.286 32.193 ( 0.707 0.000 0.000) 0.707 32.194 ( 0.306 0.000 0.000) 0.306 40.479 ( 2.764 0.000 0.000) 2.764 41.171 ( -9.298 0.000 0.000) 9.298 41.524 ( 8.511 0.000 0.000) 8.511 41.896 ( 4.280 0.000 0.000) 4.280 42.089 ( -2.092 0.000 0.000) 2.092 42.764 ( -6.488 0.000 0.000) 6.488 43.417 ( 1.826 0.000 0.000) 1.826 43.496 ( 0.062 0.000 0.000) 0.062======================= Grid point 2 (3/80) =======================q-point: ( 0.29 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.764 ( 19.458 0.000 0.000) 19.458 0.834 ( 20.387 0.000 0.000) 20.387 1.327 ( 32.523 0.000 0.000) 32.523 1.753 ( -14.334 0.000 0.000) 14.334 1.761 ( 6.020 0.000 0.000) 6.020 1.765 ( -9.650 0.000 0.000) 9.650 2.151 ( 8.024 0.000 0.000) 8.024 2.155 ( -5.087 0.000 0.000) 5.087 2.385 ( 0.017 0.000 0.000) 0.017 2.608 ( 2.527 0.000 0.000) 2.527 2.736 ( -5.196 0.000 0.000) 5.196 2.760 ( -3.043 0.000 0.000) 3.043 2.892 ( 5.421 0.000 0.000) 5.421 2.956 ( 0.410 0.000 0.000) 0.410 2.971 ( -0.083 0.000 0.000) 0.083 3.152 ( -1.383 0.000 0.000) 1.383 3.253 ( 3.861 0.000 0.000) 3.861 3.268 ( -9.107 0.000 0.000) 9.107 3.364 ( 1.253 0.000 0.000) 1.253 3.395 ( 1.001 0.000 0.000) 1.001 3.639 ( -3.811 0.000 0.000) 3.811 3.665 ( -1.896 0.000 0.000) 1.896 3.761 ( -2.787 0.000 0.000) 2.787 3.982 ( -3.021 0.000 0.000) 3.021 4.118 ( -0.918 0.000 0.000) 0.918 4.124 ( 0.314 0.000 0.000) 0.314 4.459 ( 4.812 0.000 0.000) 4.812 4.481 ( 1.013 0.000 0.000) 1.013 4.553 ( -1.028 0.000 0.000) 1.028 4.558 ( -4.175 0.000 0.000) 4.175 4.587 ( -1.430 0.000 0.000) 1.430 4.716 ( 5.477 0.000 0.000) 5.477 4.799 ( -4.454 0.000 0.000) 4.454 5.030 ( -3.999 0.000 0.000) 3.999 5.133 ( 6.278 0.000 0.000) 6.278 5.324 ( -0.870 0.000 0.000) 0.870 20.930 ( 0.036 0.000 0.000) 0.036 20.937 ( -0.180 0.000 0.000) 0.180 20.987 ( 0.138 0.000 0.000) 0.138 20.991 ( 0.031 0.000 0.000) 0.031 21.129 ( 0.397 0.000 0.000) 0.397 21.137 ( 0.098 0.000 0.000) 0.098 21.158 ( 0.435 0.000 0.000) 0.435 21.202 ( -0.832 0.000 0.000) 0.832 24.171 ( 0.218 0.000 0.000) 0.218 24.185 ( -0.199 0.000 0.000) 0.199 24.190 ( 0.240 0.000 0.000) 0.240 24.206 ( -0.235 0.000 0.000) 0.235 32.156 ( -0.283 0.000 0.000) 0.283 32.165 ( -0.377 0.000 0.000) 0.377 32.201 ( 0.375 0.000 0.000) 0.375 32.204 ( 0.445 0.000 0.000) 0.445 40.555 ( 5.243 0.000 0.000) 5.243 40.995 ( -9.242 0.000 0.000) 9.242 41.680 ( 7.855 0.000 0.000) 7.855 42.013 ( 7.921 0.000 0.000) 7.921 42.030 ( -4.000 0.000 0.000) 4.000 42.602 ( -10.104 0.000 0.000) 10.104 43.454 ( 1.799 0.000 0.000) 1.799 43.497 ( -0.015 0.000 0.000) 0.015======================= Grid point 3 (4/80) =======================q-point: ( 0.43 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.123 ( 18.324 0.000 0.000) 18.324 1.198 ( 17.831 0.000 0.000) 17.831 1.457 ( -16.753 0.000 0.000) 16.753 1.507 ( -14.534 0.000 0.000) 14.534 1.892 ( 7.538 0.000 0.000) 7.538 1.923 ( 27.578 0.000 0.000) 27.578 2.035 ( -7.253 0.000 0.000) 7.253 2.324 ( -10.196 0.000 0.000) 10.196 2.324 ( 8.813 0.000 0.000) 8.813 2.510 ( -13.973 0.000 0.000) 13.973 2.655 ( 2.506 0.000 0.000) 2.506 2.705 ( -2.758 0.000 0.000) 2.758 2.963 ( 0.345 0.000 0.000) 0.345 2.969 ( -0.205 0.000 0.000) 0.205 2.991 ( 5.211 0.000 0.000) 5.211 3.100 ( -6.324 0.000 0.000) 6.324 3.224 ( 4.763 0.000 0.000) 4.763 3.287 ( -0.712 0.000 0.000) 0.712 3.387 ( 1.119 0.000 0.000) 1.119 3.401 ( -0.283 0.000 0.000) 0.283 3.577 ( -1.790 0.000 0.000) 1.790 3.602 ( -4.039 0.000 0.000) 4.039 3.780 ( 4.924 0.000 0.000) 4.924 3.895 ( -5.988 0.000 0.000) 5.988 4.111 ( 0.121 0.000 0.000) 0.121 4.119 ( -0.557 0.000 0.000) 0.557 4.508 ( 1.711 0.000 0.000) 1.711 4.519 ( -0.253 0.000 0.000) 0.253 4.531 ( -1.157 0.000 0.000) 1.157 4.534 ( 0.155 0.000 0.000) 0.155 4.586 ( 4.114 0.000 0.000) 4.114 4.694 ( -5.881 0.000 0.000) 5.881 4.831 ( 5.963 0.000 0.000) 5.963 4.940 ( -5.390 0.000 0.000) 5.390 5.233 ( 4.253 0.000 0.000) 4.253 5.295 ( -2.328 0.000 0.000) 2.328 20.932 ( 0.099 0.000 0.000) 0.099 20.934 ( -0.160 0.000 0.000) 0.160 20.989 ( 0.108 0.000 0.000) 0.108 20.991 ( -0.036 0.000 0.000) 0.036 21.135 ( 0.275 0.000 0.000) 0.275 21.138 ( -0.036 0.000 0.000) 0.036 21.169 ( 0.716 0.000 0.000) 0.716 21.185 ( -0.912 0.000 0.000) 0.912 24.176 ( 0.259 0.000 0.000) 0.259 24.181 ( -0.251 0.000 0.000) 0.251 24.195 ( 0.301 0.000 0.000) 0.301 24.201 ( -0.299 0.000 0.000) 0.299 32.154 ( 0.056 0.000 0.000) 0.056 32.158 ( -0.298 0.000 0.000) 0.298 32.207 ( 0.229 0.000 0.000) 0.229 32.209 ( 0.085 0.000 0.000) 0.085 40.674 ( 7.213 0.000 0.000) 7.213 40.825 ( -8.551 0.000 0.000) 8.551 41.820 ( 6.878 0.000 0.000) 6.878 41.939 ( -5.604 0.000 0.000) 5.604 42.189 ( 10.374 0.000 0.000) 10.374 42.397 ( -11.219 0.000 0.000) 11.219 43.481 ( 1.029 0.000 0.000) 1.029 43.494 ( -0.362 0.000 0.000) 0.362======================= Grid point 7 (5/80) =======================q-point: ( 0.00 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.379 ( 0.000 20.032 0.000) 20.032 0.397 ( 0.000 19.541 0.000) 19.541 0.904 ( 0.000 43.690 0.000) 43.690 1.771 ( 0.000 10.733 0.000) 10.733 1.822 ( 0.000 4.488 0.000) 4.488 2.096 ( 0.000 -7.388 0.000) 7.388 2.190 ( 0.000 7.398 0.000) 7.398 2.193 ( 0.000 6.797 0.000) 6.797 2.489 ( 0.000 7.134 0.000) 7.134 2.534 ( 0.000 -0.294 0.000) 0.294 2.711 ( 0.000 -1.170 0.000) 1.170 2.756 ( 0.000 5.666 0.000) 5.666 2.882 ( 0.000 2.642 0.000) 2.642 2.968 ( 0.000 2.245 0.000) 2.245 2.983 ( 0.000 -9.463 0.000) 9.463 3.008 ( 0.000 2.451 0.000) 2.451 3.113 ( 0.000 -0.224 0.000) 0.224 3.267 ( 0.000 3.557 0.000) 3.557 3.391 ( 0.000 3.892 0.000) 3.892 3.437 ( 0.000 5.462 0.000) 5.462 3.518 ( 0.000 -3.988 0.000) 3.988 3.723 ( 0.000 1.798 0.000) 1.798 3.802 ( 0.000 4.827 0.000) 4.827 3.915 ( 0.000 -1.193 0.000) 1.193 4.038 ( 0.000 -1.527 0.000) 1.527 4.064 ( 0.000 1.035 0.000) 1.035 4.171 ( 0.000 0.688 0.000) 0.688 4.360 ( 0.000 -0.213 0.000) 0.213 4.468 ( 0.000 -0.780 0.000) 0.780 4.532 ( 0.000 -5.154 0.000) 5.154 4.733 ( 0.000 -4.003 0.000) 4.003 4.771 ( 0.000 -4.697 0.000) 4.697 4.823 ( 0.000 -1.362 0.000) 1.362 4.915 ( 0.000 1.265 0.000) 1.265 5.089 ( 0.000 -2.146 0.000) 2.146 5.931 ( 0.000 -7.123 0.000) 7.123 20.938 ( 0.000 0.792 0.000) 0.792 20.948 ( 0.000 0.586 0.000) 0.586 20.985 ( 0.000 0.196 0.000) 0.196 21.014 ( 0.000 -0.034 0.000) 0.034 21.119 ( 0.000 -0.084 0.000) 0.084 21.136 ( 0.000 0.114 0.000) 0.114 21.148 ( 0.000 -0.241 0.000) 0.241 21.208 ( 0.000 -0.491 0.000) 0.491 24.128 ( 0.000 0.077 0.000) 0.077 24.165 ( 0.000 -0.161 0.000) 0.161 24.189 ( 0.000 -0.063 0.000) 0.063 24.209 ( 0.000 -0.219 0.000) 0.219 32.169 ( 0.000 -0.116 0.000) 0.116 32.177 ( 0.000 -0.140 0.000) 0.140 32.177 ( 0.000 -0.122 0.000) 0.122 32.191 ( 0.000 -0.036 0.000) 0.036 41.356 ( 0.000 3.499 0.000) 3.499 41.427 ( 0.000 4.237 0.000) 4.237 41.856 ( 0.000 0.128 0.000) 0.128 42.143 ( 0.000 3.153 0.000) 3.153 42.588 ( 0.000 -2.143 0.000) 2.143 42.807 ( 0.000 -2.152 0.000) 2.152 43.136 ( 0.000 -1.076 0.000) 1.076 43.342 ( 0.000 -5.339 0.000) 5.339======================= Grid point 8 (6/80) =======================q-point: ( 0.14 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 128Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.580 ( 15.908 13.114 0.000) 20.616 0.658 ( 20.448 13.049 0.000) 24.257 1.057 ( 16.257 35.579 0.000) 39.117 1.764 ( -1.660 6.951 0.000) 7.146 1.864 ( 5.204 5.034 0.000) 7.241 2.027 ( -7.239 0.648 0.000) 7.268 2.180 ( -0.606 1.417 0.000) 1.541 2.184 ( -1.832 7.294 0.000) 7.520 2.487 ( -0.466 7.437 0.000) 7.451 2.560 ( 2.352 -0.132 0.000) 2.356 2.740 ( 1.794 -3.384 0.000) 3.831 2.761 ( 0.594 3.675 0.000) 3.723 2.886 ( -0.824 5.317 0.000) 5.381 2.971 ( 0.350 2.161 0.000) 2.189 3.013 ( 0.454 3.007 0.000) 3.042 3.040 ( 6.825 -9.121 0.000) 11.392 3.251 ( -1.802 4.267 0.000) 4.632 3.378 ( -3.425 1.299 0.000) 3.663 3.388 ( 5.855 -5.462 0.000) 8.007 3.439 ( -4.912 -0.293 0.000) 4.921 3.551 ( 15.270 -8.567 0.000) 17.509 3.711 ( -1.813 1.574 0.000) 2.401 3.806 ( 1.964 3.420 0.000) 3.943 3.905 ( -0.379 -5.049 0.000) 5.063 4.022 ( -1.035 -0.073 0.000) 1.037 4.091 ( 1.744 -0.466 0.000) 1.805 4.203 ( 3.520 -1.095 0.000) 3.687 4.384 ( 2.519 -0.367 0.000) 2.546 4.446 ( -1.875 -3.134 0.000) 3.652 4.559 ( 1.593 -4.804 0.000) 5.061 4.680 ( -3.399 -0.429 0.000) 3.426 4.732 ( -0.158 -3.005 0.000) 3.009 4.865 ( -1.443 -0.490 0.000) 1.524 4.965 ( 5.994 -2.623 0.000) 6.543 5.062 ( -2.867 -2.142 0.000) 3.579 5.690 ( -17.782 5.676 0.000) 18.666 20.938 ( 0.030 0.818 0.000) 0.818 20.952 ( 0.239 0.705 0.000) 0.745 20.986 ( 0.025 0.131 0.000) 0.134 21.002 ( -0.795 0.594 0.000) 0.992 21.121 ( 0.235 -0.109 0.000) 0.259 21.129 ( -0.281 -0.211 0.000) 0.352 21.150 ( 0.231 -0.229 0.000) 0.325 21.207 ( -0.248 -0.560 0.000) 0.613 24.151 ( 1.494 -1.307 0.000) 1.985 24.167 ( 0.234 -0.188 0.000) 0.300 24.188 ( -0.120 -0.072 0.000) 0.140 24.207 ( -0.146 -0.233 0.000) 0.275 32.164 ( -0.597 -0.096 0.000) 0.605 32.166 ( -0.243 -0.242 0.000) 0.343 32.190 ( 0.656 -0.209 0.000) 0.689 32.192 ( 0.167 -0.118 0.000) 0.205 41.237 ( -7.523 6.204 0.000) 9.751 41.551 ( 7.913 2.576 0.000) 8.322 41.642 ( -48.232 51.356 0.000) 70.454 41.901 ( 3.465 1.211 0.000) 3.670 42.126 ( -2.383 3.720 0.000) 4.418 42.745 ( -6.192 -1.846 0.000) 6.461 43.336 ( 5.457 -11.765 0.000) 12.969 43.359 ( 1.443 -5.728 0.000) 5.907======================= Grid point 9 (7/80) =======================q-point: ( 0.29 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 128Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.910 ( 17.725 7.620 0.000) 19.294 1.008 ( 16.584 16.216 0.000) 23.194 1.480 ( 25.817 17.751 0.000) 31.330 1.685 ( -7.082 0.936 0.000) 7.144 1.840 ( -11.906 7.104 0.000) 13.864 1.975 ( 5.510 10.457 0.000) 11.820 2.158 ( -2.123 1.414 0.000) 2.551 2.199 ( 4.957 5.729 0.000) 7.576 2.469 ( -1.581 6.355 0.000) 6.548 2.591 ( -0.080 -1.290 0.000) 1.292 2.741 ( -1.290 -3.488 0.000) 3.719 2.762 ( -1.670 3.251 0.000) 3.655 2.909 ( 2.628 4.120 0.000) 4.887 2.981 ( 0.644 2.019 0.000) 2.119 3.019 ( 0.404 3.172 0.000) 3.197 3.180 ( 6.931 -5.568 0.000) 8.890 3.198 ( -4.447 3.444 0.000) 5.625 3.219 ( -7.575 -1.568 0.000) 7.736 3.415 ( -0.235 0.894 0.000) 0.925 3.435 ( 1.854 4.920 0.000) 5.257 3.648 ( -4.484 1.034 0.000) 4.602 3.660 ( -0.354 -0.923 0.000) 0.989 3.808 ( -2.312 4.240 0.000) 4.829 3.986 ( 5.737 -11.056 0.000) 12.456 3.994 ( -2.378 1.354 0.000) 2.736 4.108 ( -0.305 -1.502 0.000) 1.533 4.295 ( 5.125 -7.349 0.000) 8.959 4.403 ( -2.153 -6.889 0.000) 7.217 4.455 ( 4.820 -0.531 0.000) 4.849 4.570 ( 0.755 0.329 0.000) 0.824 4.695 ( 3.560 -1.986 0.000) 4.077 4.723 ( -0.895 0.523 0.000) 1.036 4.807 ( -4.017 0.613 0.000) 4.064 4.985 ( -4.952 -2.995 0.000) 5.787 5.080 ( 5.606 -4.895 0.000) 7.443 5.416 ( -10.554 3.751 0.000) 11.201 20.940 ( 0.106 0.905 0.000) 0.911 20.952 ( -0.156 1.193 0.000) 1.203 20.986 ( 0.036 -0.026 0.000) 0.045 20.992 ( -0.318 0.146 0.000) 0.350 21.126 ( 0.302 -0.227 0.000) 0.378 21.128 ( 0.094 -0.699 0.000) 0.705 21.156 ( 0.470 -0.178 0.000) 0.503 21.198 ( -0.670 -0.349 0.000) 0.755 24.168 ( 0.385 -0.504 0.000) 0.634 24.177 ( 0.687 -0.750 0.000) 1.017 24.184 ( -0.219 -0.100 0.000) 0.241 24.203 ( -0.279 -0.282 0.000) 0.397 32.155 ( -0.307 -0.109 0.000) 0.326 32.160 ( -0.308 -0.297 0.000) 0.428 32.197 ( 0.310 -0.308 0.000) 0.437 32.200 ( 0.388 -0.307 0.000) 0.495 41.086 ( -14.316 40.580 0.000) 43.031 41.101 ( -6.553 10.089 0.000) 12.030 41.700 ( 7.695 1.915 0.000) 7.930 42.007 ( 6.164 0.038 0.000) 6.164 42.069 ( -2.695 3.144 0.000) 4.141 42.589 ( -9.734 -1.206 0.000) 9.808 43.386 ( 1.259 -6.605 0.000) 6.724 43.388 ( 1.318 -9.911 0.000) 9.999======================= Grid point 10 (8/80) =======================q-point: ( 0.43 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 128Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.230 ( 15.685 4.179 0.000) 16.232 1.309 ( 15.347 14.937 0.000) 21.416 1.497 ( -12.275 1.159 0.000) 12.329 1.590 ( -14.207 11.287 0.000) 18.145 1.929 ( 16.841 8.548 0.000) 18.886 2.093 ( -4.831 5.639 0.000) 7.426 2.112 ( 12.532 11.738 0.000) 17.171 2.337 ( 7.904 1.389 0.000) 8.025 2.397 ( -8.885 6.031 0.000) 10.739 2.491 ( -10.053 -1.198 0.000) 10.124 2.711 ( -1.250 4.567 0.000) 4.735 2.715 ( -1.092 -0.279 0.000) 1.127 2.960 ( 2.317 1.655 0.000) 2.847 2.985 ( -0.427 1.985 0.000) 2.031 3.033 ( 1.414 3.000 0.000) 3.317 3.087 ( -4.339 -1.568 0.000) 4.614 3.200 ( 2.634 0.997 0.000) 2.817 3.251 ( -0.594 -2.783 0.000) 2.845 3.428 ( 2.725 1.787 0.000) 3.259 3.472 ( 0.643 5.864 0.000) 5.899 3.568 ( -2.207 -0.690 0.000) 2.312 3.609 ( -4.240 0.727 0.000) 4.302 3.817 ( 3.886 3.642 0.000) 5.326 3.918 ( -5.503 2.569 0.000) 6.073 4.055 ( 2.206 -5.013 0.000) 5.477 4.087 ( -1.412 -3.016 0.000) 3.330 4.363 ( 1.903 -8.185 0.000) 8.403 4.380 ( -0.481 -7.611 0.000) 7.626 4.554 ( 5.092 -0.219 0.000) 5.097 4.597 ( 1.160 2.784 0.000) 3.016 4.695 ( -1.738 4.467 0.000) 4.793 4.708 ( -3.567 0.758 0.000) 3.647 4.794 ( 4.398 -3.389 0.000) 5.552 4.887 ( -5.144 -4.789 0.000) 7.028 5.176 ( 4.692 -5.247 0.000) 7.039 5.270 ( -5.689 -2.649 0.000) 6.276 20.943 ( 0.218 1.065 0.000) 1.087 20.948 ( -0.293 1.250 0.000) 1.284 20.987 ( 0.047 -0.175 0.000) 0.181 20.988 ( -0.091 -0.186 0.000) 0.208 21.131 ( 0.100 -0.668 0.000) 0.675 21.131 ( 0.108 -0.503 0.000) 0.515 21.168 ( 0.735 -0.107 0.000) 0.743 21.183 ( -0.834 -0.156 0.000) 0.849 24.174 ( 0.306 -0.233 0.000) 0.385 24.179 ( -0.282 -0.149 0.000) 0.319 24.188 ( 0.512 -0.568 0.000) 0.765 24.197 ( -0.393 -0.382 0.000) 0.548 32.152 ( 0.013 -0.162 0.000) 0.162 32.155 ( -0.239 -0.236 0.000) 0.337 32.203 ( 0.232 -0.403 0.000) 0.465 32.205 ( 0.042 -0.387 0.000) 0.390 40.961 ( -1.091 25.216 0.000) 25.239 40.997 ( -4.163 15.923 0.000) 16.458 41.840 ( 6.986 1.899 0.000) 7.240 41.962 ( -5.745 2.188 0.000) 6.148 42.189 ( 10.004 0.070 0.000) 10.004 42.390 ( -10.878 -0.549 0.000) 10.892 43.402 ( 0.432 -7.627 0.000) 7.640 43.403 ( 0.353 -8.680 0.000) 8.687======================= Grid point 14 (9/80) =======================q-point: ( 0.00 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.762 ( 0.000 16.999 0.000) 16.999 0.788 ( 0.000 20.958 0.000) 20.958 1.651 ( 0.000 27.077 0.000) 27.077 1.955 ( 0.000 -7.272 0.000) 7.272 1.963 ( 0.000 7.825 0.000) 7.825 1.977 ( 0.000 13.454 0.000) 13.454 2.360 ( 0.000 9.043 0.000) 9.043 2.397 ( 0.000 12.328 0.000) 12.328 2.513 ( 0.000 -0.289 0.000) 0.289 2.612 ( 0.000 4.407 0.000) 4.407 2.679 ( 0.000 -3.236 0.000) 3.236 2.805 ( 0.000 -5.472 0.000) 5.472 2.866 ( 0.000 -3.330 0.000) 3.330 2.892 ( 0.000 6.454 0.000) 6.454 3.045 ( 0.000 5.802 0.000) 5.802 3.107 ( 0.000 -0.505 0.000) 0.505 3.177 ( 0.000 13.516 0.000) 13.516 3.370 ( 0.000 3.582 0.000) 3.582 3.417 ( 0.000 -5.262 0.000) 5.262 3.491 ( 0.000 8.500 0.000) 8.500 3.523 ( 0.000 3.307 0.000) 3.307 3.766 ( 0.000 2.245 0.000) 2.245 3.892 ( 0.000 -0.672 0.000) 0.672 3.936 ( 0.000 8.163 0.000) 8.163 3.998 ( 0.000 -2.632 0.000) 2.632 4.085 ( 0.000 0.310 0.000) 0.310 4.199 ( 0.000 2.330 0.000) 2.330 4.348 ( 0.000 -1.072 0.000) 1.072 4.390 ( 0.000 -7.879 0.000) 7.879 4.453 ( 0.000 -0.414 0.000) 0.414 4.628 ( 0.000 -6.246 0.000) 6.246 4.669 ( 0.000 -5.631 0.000) 5.631 4.792 ( 0.000 -1.459 0.000) 1.459 4.929 ( 0.000 0.062 0.000) 0.062 5.015 ( 0.000 -5.524 0.000) 5.524 5.724 ( 0.000 -13.637 0.000) 13.637 20.959 ( 0.000 1.183 0.000) 1.183 20.963 ( 0.000 0.914 0.000) 0.914 20.991 ( 0.000 0.317 0.000) 0.317 21.013 ( 0.000 -0.056 0.000) 0.056 21.117 ( 0.000 -0.042 0.000) 0.042 21.139 ( 0.000 0.207 0.000) 0.207 21.141 ( 0.000 -0.401 0.000) 0.401 21.195 ( 0.000 -0.789 0.000) 0.789 24.130 ( 0.000 0.162 0.000) 0.162 24.161 ( 0.000 -0.289 0.000) 0.289 24.187 ( 0.000 -0.072 0.000) 0.072 24.203 ( 0.000 -0.338 0.000) 0.338 32.166 ( 0.000 -0.073 0.000) 0.073 32.173 ( 0.000 -0.201 0.000) 0.201 32.175 ( 0.000 -0.102 0.000) 0.102 32.189 ( 0.000 -0.136 0.000) 0.136 41.448 ( 0.000 5.407 0.000) 5.407 41.533 ( 0.000 5.802 0.000) 5.802 41.864 ( 0.000 0.829 0.000) 0.829 42.201 ( 0.000 1.375 0.000) 1.375 42.558 ( 0.000 0.347 0.000) 0.347 42.755 ( 0.000 -2.619 0.000) 2.619 43.101 ( 0.000 -2.512 0.000) 2.512 43.199 ( 0.000 -8.665 0.000) 8.665======================= Grid point 15 (10/80) =======================q-point: ( 0.14 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 128Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.873 ( 10.680 15.228 0.000) 18.600 0.951 ( 15.004 16.594 0.000) 22.371 1.738 ( 8.963 26.520 0.000) 27.994 1.905 ( -5.479 7.259 0.000) 9.095 1.973 ( 1.329 -4.958 0.000) 5.133 2.015 ( 4.085 12.106 0.000) 12.776 2.285 ( -5.641 6.543 0.000) 8.639 2.391 ( -0.880 11.481 0.000) 11.514 2.568 ( 3.487 1.298 0.000) 3.721 2.606 ( -0.728 4.573 0.000) 4.630 2.658 ( -1.444 -5.003 0.000) 5.207 2.850 ( 5.324 -4.035 0.000) 6.680 2.877 ( -1.169 6.850 0.000) 6.949 2.984 ( 7.670 -2.077 0.000) 7.946 3.038 ( -0.605 4.863 0.000) 4.900 3.109 ( 0.302 4.990 0.000) 4.999 3.269 ( 8.773 2.251 0.000) 9.057 3.321 ( -6.631 -2.386 0.000) 7.047 3.368 ( -1.936 2.549 0.000) 3.201 3.517 ( 1.267 7.916 0.000) 8.016 3.557 ( 3.403 2.465 0.000) 4.202 3.753 ( -1.896 2.533 0.000) 3.164 3.859 ( -2.500 0.880 0.000) 2.650 3.940 ( -0.009 6.829 0.000) 6.829 4.000 ( 0.521 -2.375 0.000) 2.432 4.094 ( 0.874 0.161 0.000) 0.888 4.203 ( 0.477 1.005 0.000) 1.112 4.329 ( -5.214 -7.331 0.000) 8.996 4.368 ( 2.162 -1.278 0.000) 2.511 4.487 ( 2.640 -2.126 0.000) 3.390 4.639 ( 1.147 -5.671 0.000) 5.786 4.646 ( -0.921 -3.200 0.000) 3.330 4.830 ( 1.743 -2.764 0.000) 3.267 4.925 ( 0.330 -1.213 0.000) 1.257 4.990 ( -2.681 -5.325 0.000) 5.962 5.614 ( -10.407 -10.291 0.000) 14.636 20.960 ( 0.109 1.231 0.000) 1.236 20.967 ( 0.328 0.810 0.000) 0.874 20.990 ( -0.108 0.262 0.000) 0.284 21.009 ( -0.423 0.127 0.000) 0.442 21.118 ( 0.115 -0.125 0.000) 0.170 21.130 ( -0.745 0.211 0.000) 0.774 21.144 ( 0.273 -0.384 0.000) 0.472 21.194 ( -0.120 -0.731 0.000) 0.741 24.139 ( 0.814 -0.192 0.000) 0.836 24.163 ( 0.201 -0.285 0.000) 0.348 24.186 ( -0.145 -0.086 0.000) 0.168 24.201 ( -0.178 -0.351 0.000) 0.394 32.162 ( -0.555 -0.049 0.000) 0.557 32.163 ( -0.304 -0.044 0.000) 0.308 32.185 ( 0.519 -0.300 0.000) 0.600 32.189 ( 0.030 -0.181 0.000) 0.184 41.393 ( -3.307 8.853 0.000) 9.450 41.617 ( 6.409 3.784 0.000) 7.443 41.897 ( 2.997 0.921 0.000) 3.135 42.148 ( -8.111 4.402 0.000) 9.228 42.310 ( -17.599 14.717 0.000) 22.942 42.701 ( -5.435 -2.146 0.000) 5.843 43.128 ( 1.749 -8.660 0.000) 8.835 43.205 ( 0.432 -9.307 0.000) 9.317======================= Grid point 16 (11/80) =======================q-point: ( 0.29 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 128Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.118 ( 14.069 12.504 0.000) 18.822 1.271 ( 17.136 12.044 0.000) 20.945 1.774 ( -7.904 7.359 0.000) 10.800 1.959 ( -4.253 3.557 0.000) 5.544 1.969 ( 14.596 24.507 0.000) 28.525 2.134 ( 7.968 8.186 0.000) 11.424 2.208 ( -1.345 2.670 0.000) 2.989 2.363 ( -1.670 8.150 0.000) 8.319 2.574 ( -2.981 3.438 0.000) 4.550 2.597 ( -0.950 2.808 0.000) 2.964 2.642 ( -0.045 -5.265 0.000) 5.265 2.863 ( -0.732 6.469 0.000) 6.510 2.965 ( 5.650 -0.830 0.000) 5.711 3.021 ( -1.196 1.736 0.000) 2.108 3.104 ( 3.443 -0.633 0.000) 3.501 3.123 ( 3.060 7.150 0.000) 7.777 3.171 ( -7.604 -0.406 0.000) 7.615 3.331 ( -2.090 6.147 0.000) 6.493 3.409 ( 4.311 -0.530 0.000) 4.344 3.538 ( 1.281 6.012 0.000) 6.147 3.628 ( 2.513 -1.067 0.000) 2.731 3.682 ( -5.412 2.471 0.000) 5.950 3.831 ( 0.244 -0.550 0.000) 0.602 3.948 ( 1.569 6.166 0.000) 6.362 4.016 ( 0.756 -1.111 0.000) 1.344 4.095 ( -2.373 1.910 0.000) 3.046 4.217 ( 0.918 -2.025 0.000) 2.224 4.232 ( -3.253 -9.624 0.000) 10.159 4.432 ( 4.552 -1.958 0.000) 4.955 4.551 ( 4.316 -2.422 0.000) 4.949 4.646 ( 0.320 -2.779 0.000) 2.797 4.670 ( 2.118 -4.344 0.000) 4.833 4.811 ( -2.956 -0.460 0.000) 2.992 4.913 ( -5.377 -4.680 0.000) 7.128 4.968 ( 3.615 -5.596 0.000) 6.662 5.387 ( -12.224 -6.428 0.000) 13.811 20.963 ( 0.261 1.357 0.000) 1.381 20.973 ( 0.264 0.751 0.000) 0.796 20.987 ( -0.154 0.125 0.000) 0.199 20.998 ( -0.648 0.466 0.000) 0.798 21.118 ( -0.363 -0.187 0.000) 0.408 21.120 ( 0.029 -0.370 0.000) 0.371 21.152 ( 0.574 -0.311 0.000) 0.652 21.189 ( -0.421 -0.544 0.000) 0.688 24.155 ( 0.799 -0.489 0.000) 0.937 24.168 ( 0.411 -0.311 0.000) 0.515 24.182 ( -0.272 -0.128 0.000) 0.301 24.196 ( -0.346 -0.388 0.000) 0.520 32.154 ( -0.327 -0.006 0.000) 0.327 32.157 ( -0.328 -0.043 0.000) 0.330 32.191 ( 0.126 -0.318 0.000) 0.342 32.193 ( 0.272 -0.448 0.000) 0.524 41.351 ( -0.798 13.935 0.000) 13.957 41.749 ( 7.324 2.819 0.000) 7.848 41.772 ( -17.906 24.353 0.000) 30.227 42.032 ( 5.231 3.598 0.000) 6.349 42.145 ( -4.908 4.557 0.000) 6.697 42.563 ( -8.791 -1.145 0.000) 8.865 43.156 ( 1.293 -12.405 0.000) 12.472 43.209 ( -0.112 -10.741 0.000) 10.741======================= Grid point 17 (12/80) =======================q-point: ( 0.43 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 128Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.376 ( 12.644 10.133 0.000) 16.203 1.545 ( 5.324 8.193 0.000) 9.771 1.630 ( -1.374 11.598 0.000) 11.679 1.813 ( -10.238 9.921 0.000) 14.256 2.214 ( 5.643 16.815 0.000) 17.736 2.220 ( 1.504 4.755 0.000) 4.987 2.307 ( 12.154 8.590 0.000) 14.883 2.370 ( 4.404 0.968 0.000) 4.509 2.486 ( -6.198 1.474 0.000) 6.371 2.523 ( -7.408 6.392 0.000) 9.784 2.666 ( 3.030 -3.326 0.000) 4.500 2.775 ( -7.934 1.679 0.000) 8.109 3.034 ( 3.014 1.296 0.000) 3.281 3.042 ( 2.485 4.081 0.000) 4.778 3.085 ( -1.890 3.482 0.000) 3.962 3.099 ( -1.959 2.424 0.000) 3.117 3.225 ( 4.665 2.937 0.000) 5.512 3.288 ( -2.502 6.875 0.000) 7.316 3.465 ( 3.402 2.165 0.000) 4.032 3.562 ( -5.230 0.676 0.000) 5.274 3.575 ( 1.291 4.455 0.000) 4.638 3.623 ( -2.263 0.745 0.000) 2.382 3.877 ( 4.517 -0.643 0.000) 4.562 3.990 ( -6.767 -1.044 0.000) 6.847 3.994 ( 2.323 2.544 0.000) 3.445 4.020 ( -0.587 1.982 0.000) 2.067 4.225 ( 0.870 -7.615 0.000) 7.664 4.231 ( 0.340 -5.182 0.000) 5.193 4.532 ( 5.589 -2.491 0.000) 6.118 4.621 ( -2.680 -1.353 0.000) 3.002 4.658 ( 5.972 -5.001 0.000) 7.789 4.714 ( 2.270 -2.709 0.000) 3.534 4.755 ( -2.383 -0.200 0.000) 2.392 4.791 ( -7.173 -3.717 0.000) 8.079 5.051 ( 5.380 -6.835 0.000) 8.699 5.184 ( -8.872 -6.147 0.000) 10.793 20.969 ( 0.395 1.500 0.000) 1.551 20.975 ( -0.082 1.168 0.000) 1.171 20.985 ( -0.071 -0.022 0.000) 0.074 20.987 ( -0.406 0.263 0.000) 0.484 21.116 ( 0.082 -0.590 0.000) 0.595 21.119 ( -0.141 -0.609 0.000) 0.625 21.165 ( 0.751 -0.268 0.000) 0.797 21.179 ( -0.677 -0.353 0.000) 0.763 24.167 ( 0.510 -0.355 0.000) 0.621 24.176 ( -0.376 -0.208 0.000) 0.429 24.178 ( 0.563 -0.425 0.000) 0.705 24.188 ( -0.492 -0.435 0.000) 0.657 32.150 ( -0.043 -0.018 0.000) 0.046 32.152 ( -0.192 -0.044 0.000) 0.197 32.194 ( 0.145 -0.465 0.000) 0.487 32.195 ( 0.006 -0.518 0.000) 0.518 41.374 ( 3.471 20.039 0.000) 20.337 41.499 ( -10.221 25.734 0.000) 27.690 41.889 ( 7.310 2.882 0.000) 7.858 42.020 ( -6.236 3.602 0.000) 7.201 42.196 ( 9.066 0.767 0.000) 9.099 42.381 ( -10.025 -0.125 0.000) 10.026 43.180 ( 1.191 -13.038 0.000) 13.092 43.200 ( -0.838 -12.208 0.000) 12.237======================= Grid point 21 (13/80) =======================q-point: ( 0.00 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.065 ( 0.000 13.743 0.000) 13.743 1.195 ( 0.000 19.811 0.000) 19.811 1.786 ( 0.000 -10.072 0.000) 10.072 1.897 ( 0.000 2.847 0.000) 2.847 2.096 ( 0.000 6.048 0.000) 6.048 2.285 ( 0.000 9.592 0.000) 9.592 2.530 ( 0.000 7.584 0.000) 7.584 2.538 ( 0.000 -7.859 0.000) 7.859 2.541 ( 0.000 3.267 0.000) 3.267 2.599 ( 0.000 5.931 0.000) 5.931 2.685 ( 0.000 3.502 0.000) 3.502 2.799 ( 0.000 -1.844 0.000) 1.844 2.901 ( 0.000 10.429 0.000) 10.429 2.982 ( 0.000 3.048 0.000) 3.048 3.110 ( 0.000 -2.305 0.000) 2.305 3.125 ( 0.000 6.115 0.000) 6.115 3.372 ( 0.000 -2.573 0.000) 2.573 3.407 ( 0.000 6.772 0.000) 6.772 3.455 ( 0.000 11.665 0.000) 11.665 3.576 ( 0.000 2.198 0.000) 2.198 3.677 ( 0.000 5.928 0.000) 5.928 3.844 ( 0.000 7.796 0.000) 7.796 3.900 ( 0.000 0.958 0.000) 0.958 3.928 ( 0.000 -3.902 0.000) 3.902 4.017 ( 0.000 -7.511 0.000) 7.511 4.101 ( 0.000 7.866 0.000) 7.866 4.276 ( 0.000 5.777 0.000) 5.777 4.307 ( 0.000 0.448 0.000) 0.448 4.330 ( 0.000 0.354 0.000) 0.354 4.453 ( 0.000 0.053 0.000) 0.053 4.507 ( 0.000 -4.908 0.000) 4.908 4.538 ( 0.000 -7.721 0.000) 7.721 4.778 ( 0.000 0.372 0.000) 0.372 4.869 ( 0.000 -9.109 0.000) 9.109 4.916 ( 0.000 -1.429 0.000) 1.429 5.399 ( 0.000 -18.853 0.000) 18.853 20.982 ( 0.000 0.952 0.000) 0.952 20.982 ( 0.000 1.001 0.000) 1.001 20.997 ( 0.000 0.322 0.000) 0.322 21.011 ( 0.000 -0.127 0.000) 0.127 21.117 ( 0.000 0.047 0.000) 0.047 21.132 ( 0.000 -0.455 0.000) 0.455 21.144 ( 0.000 0.309 0.000) 0.309 21.178 ( 0.000 -0.834 0.000) 0.834 24.134 ( 0.000 0.252 0.000) 0.252 24.154 ( 0.000 -0.362 0.000) 0.362 24.186 ( 0.000 -0.011 0.000) 0.011 24.196 ( 0.000 -0.330 0.000) 0.330 32.167 ( 0.000 0.123 0.000) 0.123 32.170 ( 0.000 -0.075 0.000) 0.075 32.173 ( 0.000 -0.101 0.000) 0.101 32.185 ( 0.000 -0.283 0.000) 0.283 41.556 ( 0.000 5.202 0.000) 5.202 41.634 ( 0.000 3.917 0.000) 3.917 41.894 ( 0.000 2.318 0.000) 2.318 42.166 ( 0.000 -4.484 0.000) 4.484 42.631 ( 0.000 6.564 0.000) 6.564 42.720 ( 0.000 -0.487 0.000) 0.487 43.018 ( 0.000 -9.121 0.000) 9.121 43.033 ( 0.000 -4.418 0.000) 4.418======================= Grid point 22 (14/80) =======================q-point: ( 0.14 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 128Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.157 ( 8.999 13.214 0.000) 15.988 1.293 ( 9.618 17.410 0.000) 19.890 1.835 ( 4.862 -8.974 0.000) 10.207 1.957 ( 4.742 1.025 0.000) 4.852 2.056 ( -2.048 8.143 0.000) 8.396 2.316 ( 2.867 9.180 0.000) 9.617 2.415 ( -7.024 6.800 0.000) 9.776 2.520 ( 0.171 -4.354 0.000) 4.357 2.600 ( -2.603 6.327 0.000) 6.841 2.609 ( 2.234 2.287 0.000) 3.197 2.684 ( -0.313 3.780 0.000) 3.793 2.875 ( 7.614 -4.457 0.000) 8.823 2.938 ( 4.131 6.648 0.000) 7.827 2.987 ( 0.479 3.949 0.000) 3.977 3.088 ( -2.486 -2.309 0.000) 3.393 3.151 ( 2.329 6.417 0.000) 6.826 3.349 ( -4.921 7.838 0.000) 9.254 3.378 ( 0.544 -1.238 0.000) 1.353 3.472 ( 1.869 11.029 0.000) 11.187 3.602 ( 2.235 2.018 0.000) 3.011 3.667 ( -1.277 4.054 0.000) 4.251 3.859 ( -0.732 9.802 0.000) 9.829 3.905 ( 0.105 3.664 0.000) 3.665 3.924 ( 1.051 -5.307 0.000) 5.410 4.010 ( -0.569 -8.500 0.000) 8.519 4.066 ( -2.594 4.500 0.000) 5.194 4.245 ( -2.618 2.304 0.000) 3.488 4.275 ( -3.135 2.306 0.000) 3.892 4.355 ( 1.911 2.436 0.000) 3.096 4.461 ( 0.889 -0.990 0.000) 1.331 4.535 ( 2.635 -3.938 0.000) 4.738 4.546 ( 0.953 -6.884 0.000) 6.949 4.790 ( 0.832 -0.697 0.000) 1.086 4.850 ( -1.927 -8.547 0.000) 8.761 4.901 ( -1.411 -1.550 0.000) 2.096 5.336 ( -6.275 -17.109 0.000) 18.224 20.983 ( 0.103 0.776 0.000) 0.783 20.983 ( 0.193 1.079 0.000) 1.096 20.996 ( -0.148 0.345 0.000) 0.376 21.009 ( -0.184 -0.071 0.000) 0.197 21.117 ( -0.070 -0.033 0.000) 0.078 21.135 ( 0.279 -0.486 0.000) 0.560 21.137 ( -0.690 0.453 0.000) 0.825 21.179 ( -0.030 -0.830 0.000) 0.830 24.139 ( 0.470 0.131 0.000) 0.488 24.156 ( 0.216 -0.350 0.000) 0.411 24.185 ( -0.173 -0.023 0.000) 0.174 24.194 ( -0.196 -0.334 0.000) 0.387 32.163 ( -0.420 0.119 0.000) 0.436 32.164 ( -0.239 0.169 0.000) 0.292 32.179 ( 0.315 -0.319 0.000) 0.449 32.185 ( -0.048 -0.310 0.000) 0.314 41.560 ( 1.002 7.439 0.000) 7.507 41.686 ( 4.845 2.836 0.000) 5.614 41.926 ( 3.225 2.246 0.000) 3.930 42.157 ( -0.942 -2.446 0.000) 2.621 42.542 ( -9.211 9.704 0.000) 13.379 42.676 ( -4.508 0.007 0.000) 4.508 42.986 ( -3.873 -6.164 0.000) 7.279 43.010 ( -0.906 -9.842 0.000) 9.884======================= Grid point 23 (15/80) =======================q-point: ( 0.29 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 128Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.370 ( 12.497 12.330 0.000) 17.556 1.519 ( 12.981 12.898 0.000) 18.299 1.931 ( -4.845 7.198 0.000) 8.677 1.945 ( 5.658 -4.997 0.000) 7.549 2.165 ( 10.162 1.553 0.000) 10.280 2.282 ( -6.413 5.594 0.000) 8.510 2.378 ( 3.023 5.292 0.000) 6.095 2.518 ( -4.309 6.749 0.000) 8.007 2.556 ( 3.445 0.769 0.000) 3.530 2.599 ( -3.575 -1.055 0.000) 3.727 2.681 ( -0.018 5.078 0.000) 5.078 2.966 ( -5.081 0.359 0.000) 5.093 3.004 ( 5.381 1.367 0.000) 5.552 3.038 ( -0.732 2.879 0.000) 2.971 3.071 ( 8.286 -3.636 0.000) 9.049 3.199 ( 2.879 7.016 0.000) 7.584 3.264 ( -3.281 9.489 0.000) 10.041 3.390 ( 0.559 0.356 0.000) 0.663 3.515 ( 2.143 8.946 0.000) 9.199 3.630 ( -2.434 1.938 0.000) 3.111 3.644 ( 1.880 2.231 0.000) 2.918 3.796 ( -4.863 7.962 0.000) 9.330 3.882 ( -2.396 5.571 0.000) 6.065 3.933 ( -1.811 -6.714 0.000) 6.954 4.028 ( 3.031 -6.295 0.000) 6.987 4.051 ( 1.409 2.481 0.000) 2.854 4.195 ( -2.342 -1.699 0.000) 2.893 4.208 ( -3.375 5.889 0.000) 6.788 4.393 ( 2.321 0.447 0.000) 2.364 4.487 ( 1.609 -3.922 0.000) 4.239 4.573 ( 1.701 -4.926 0.000) 5.211 4.596 ( 3.558 -2.311 0.000) 4.242 4.789 ( -1.346 -1.172 0.000) 1.784 4.796 ( -3.686 -6.863 0.000) 7.790 4.881 ( 0.095 -3.136 0.000) 3.138 5.186 ( -8.862 -13.312 0.000) 15.992 20.984 ( 0.061 0.518 0.000) 0.522 20.989 ( 0.323 1.070 0.000) 1.117 20.992 ( -0.211 0.410 0.000) 0.461 21.005 ( -0.178 0.177 0.000) 0.251 21.114 ( -0.179 -0.152 0.000) 0.234 21.122 ( -0.720 0.546 0.000) 0.903 21.143 ( 0.577 -0.566 0.000) 0.808 21.176 ( -0.276 -0.800 0.000) 0.846 24.150 ( 0.660 -0.069 0.000) 0.664 24.162 ( 0.392 -0.325 0.000) 0.509 24.180 ( -0.329 -0.057 0.000) 0.334 24.189 ( -0.372 -0.343 0.000) 0.506 32.156 ( -0.274 0.252 0.000) 0.372 32.159 ( -0.297 0.247 0.000) 0.386 32.183 ( 0.142 -0.501 0.000) 0.521 32.184 ( -0.015 -0.399 0.000) 0.399 41.609 ( 4.334 11.180 0.000) 11.990 41.801 ( 7.035 2.196 0.000) 7.370 41.988 ( 1.177 3.619 0.000) 3.805 42.137 ( 0.051 1.926 0.000) 1.926 42.320 ( -12.355 13.111 0.000) 18.015 42.559 ( -7.587 1.131 0.000) 7.670 42.926 ( -2.018 -10.516 0.000) 10.708 42.983 ( -1.895 -11.508 0.000) 11.663======================= Grid point 24 (16/80) =======================q-point: ( 0.43 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 128Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.597 ( 10.712 11.379 0.000) 15.628 1.717 ( 3.048 9.350 0.000) 9.834 1.856 ( 1.056 10.723 0.000) 10.775 1.972 ( -4.686 5.572 0.000) 7.281 2.233 ( 2.773 -1.560 0.000) 3.182 2.316 ( -0.807 -5.389 0.000) 5.449 2.379 ( 3.509 1.525 0.000) 3.826 2.500 ( -6.264 -1.953 0.000) 6.562 2.542 ( 6.164 9.125 0.000) 11.012 2.650 ( -3.903 6.360 0.000) 7.463 2.654 ( 6.928 3.442 0.000) 7.736 2.815 ( -9.325 1.713 0.000) 9.481 3.053 ( 1.617 1.725 0.000) 2.364 3.071 ( 0.905 -2.290 0.000) 2.462 3.176 ( 3.110 7.542 0.000) 8.158 3.222 ( -1.850 9.590 0.000) 9.767 3.292 ( 6.414 1.592 0.000) 6.608 3.380 ( -2.272 1.117 0.000) 2.532 3.549 ( 1.766 6.241 0.000) 6.486 3.587 ( -2.014 2.001 0.000) 2.839 3.664 ( 0.465 3.816 0.000) 3.844 3.701 ( -4.180 7.041 0.000) 8.188 3.853 ( 0.149 0.850 0.000) 0.863 3.884 ( -2.608 -4.668 0.000) 5.347 4.087 ( 2.403 -5.600 0.000) 6.093 4.090 ( 1.850 2.561 0.000) 3.160 4.158 ( -1.724 7.190 0.000) 7.394 4.158 ( -1.510 -1.373 0.000) 2.041 4.449 ( 3.407 -4.479 0.000) 5.628 4.499 ( -1.096 -7.228 0.000) 7.311 4.613 ( 2.893 -2.541 0.000) 3.850 4.652 ( 1.180 -2.246 0.000) 2.537 4.725 ( -2.436 -3.366 0.000) 4.155 4.746 ( -2.643 -0.597 0.000) 2.709 4.918 ( 3.865 -6.328 0.000) 7.415 5.026 ( -7.389 -9.549 0.000) 12.074 20.985 ( 0.061 0.357 0.000) 0.362 20.988 ( -0.182 0.349 0.000) 0.393 20.996 ( 0.368 0.998 0.000) 1.063 21.002 ( -0.236 0.627 0.000) 0.670 21.111 ( -0.107 -0.070 0.000) 0.127 21.112 ( -0.284 0.274 0.000) 0.394 21.156 ( 0.694 -0.666 0.000) 0.962 21.168 ( -0.559 -0.746 0.000) 0.932 24.162 ( 0.600 -0.146 0.000) 0.618 24.171 ( 0.504 -0.324 0.000) 0.599 24.172 ( -0.465 -0.109 0.000) 0.478 24.180 ( -0.495 -0.343 0.000) 0.602 32.153 ( -0.045 0.303 0.000) 0.306 32.154 ( -0.174 0.295 0.000) 0.342 32.184 ( 0.031 -0.511 0.000) 0.512 32.185 ( 0.004 -0.567 0.000) 0.567 41.726 ( 7.990 14.468 0.000) 16.527 41.897 ( -8.995 13.260 0.000) 16.024 41.945 ( 7.940 2.521 0.000) 8.331 42.099 ( -8.212 3.561 0.000) 8.951 42.241 ( 6.974 5.341 0.000) 8.784 42.400 ( -8.833 2.503 0.000) 9.181 42.914 ( 0.700 -13.253 0.000) 13.271 42.943 ( -2.084 -13.115 0.000) 13.280======================= Grid point 28 (17/80) =======================q-point: ( 0.00 0.44 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.319 ( 0.000 12.324 0.000) 12.324 1.560 ( 0.000 16.598 0.000) 16.598 1.562 ( 0.000 -12.109 0.000) 12.109 1.828 ( 0.000 -9.475 0.000) 9.475 2.212 ( 0.000 5.769 0.000) 5.769 2.319 ( 0.000 -4.309 0.000) 4.309 2.483 ( 0.000 3.304 0.000) 3.304 2.582 ( 0.000 -5.099 0.000) 5.099 2.618 ( 0.000 3.266 0.000) 3.266 2.632 ( 0.000 2.242 0.000) 2.242 2.776 ( 0.000 6.287 0.000) 6.287 2.851 ( 0.000 5.138 0.000) 5.138 2.929 ( 0.000 -8.028 0.000) 8.028 2.940 ( 0.000 -3.223 0.000) 3.223 3.130 ( 0.000 6.333 0.000) 6.333 3.275 ( 0.000 -6.961 0.000) 6.961 3.450 ( 0.000 18.518 0.000) 18.518 3.578 ( 0.000 1.480 0.000) 1.480 3.598 ( 0.000 10.114 0.000) 10.114 3.620 ( 0.000 3.341 0.000) 3.341 3.733 ( 0.000 0.646 0.000) 0.646 3.802 ( 0.000 -5.118 0.000) 5.118 3.822 ( 0.000 -10.639 0.000) 10.639 3.858 ( 0.000 -7.017 0.000) 7.017 4.096 ( 0.000 13.008 0.000) 13.008 4.234 ( 0.000 5.734 0.000) 5.734 4.316 ( 0.000 -5.969 0.000) 5.969 4.331 ( 0.000 -3.491 0.000) 3.491 4.397 ( 0.000 -1.394 0.000) 1.394 4.433 ( 0.000 9.658 0.000) 9.658 4.435 ( 0.000 -2.016 0.000) 2.016 4.558 ( 0.000 8.659 0.000) 8.659 4.687 ( 0.000 -4.147 0.000) 4.147 4.812 ( 0.000 2.809 0.000) 2.809 4.872 ( 0.000 -2.859 0.000) 2.859 4.995 ( 0.000 -21.286 0.000) 21.286 20.997 ( 0.000 0.645 0.000) 0.645 20.998 ( 0.000 0.514 0.000) 0.514 21.002 ( 0.000 0.064 0.000) 0.064 21.007 ( 0.000 -0.331 0.000) 0.331 21.119 ( 0.000 0.162 0.000) 0.162 21.124 ( 0.000 -0.351 0.000) 0.351 21.152 ( 0.000 0.477 0.000) 0.477 21.163 ( 0.000 -0.690 0.000) 0.690 24.140 ( 0.000 0.329 0.000) 0.329 24.147 ( 0.000 -0.373 0.000) 0.373 24.187 ( 0.000 0.102 0.000) 0.102 24.190 ( 0.000 -0.232 0.000) 0.232 32.170 ( 0.000 0.044 0.000) 0.044 32.171 ( 0.000 -0.091 0.000) 0.091 32.171 ( 0.000 0.320 0.000) 0.320 32.178 ( 0.000 -0.377 0.000) 0.377 41.642 ( 0.000 3.228 0.000) 3.228 41.675 ( 0.000 0.133 0.000) 0.133 41.959 ( 0.000 4.244 0.000) 4.244 42.059 ( 0.000 -5.625 0.000) 5.625 42.748 ( 0.000 3.435 0.000) 3.435 42.781 ( 0.000 7.845 0.000) 7.845 42.854 ( 0.000 -7.092 0.000) 7.092 42.925 ( 0.000 -6.486 0.000) 6.486======================= Grid point 29 (18/80) =======================q-point: ( 0.14 0.44 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 128Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.401 ( 8.137 11.766 0.000) 14.305 1.620 ( 6.069 15.128 0.000) 16.300 1.630 ( 6.791 -11.270 0.000) 13.158 1.870 ( 4.143 -9.332 0.000) 10.210 2.206 ( -0.365 7.068 0.000) 7.078 2.337 ( 1.229 -5.483 0.000) 5.619 2.502 ( 2.421 5.439 0.000) 5.953 2.545 ( -5.903 5.717 0.000) 8.218 2.621 ( -2.625 -1.662 0.000) 3.107 2.635 ( 4.392 -5.576 0.000) 7.098 2.781 ( 0.531 6.381 0.000) 6.403 2.848 ( 0.663 4.366 0.000) 4.417 2.927 ( -0.530 -7.597 0.000) 7.616 2.945 ( 0.561 -4.074 0.000) 4.112 3.143 ( 1.208 7.196 0.000) 7.296 3.289 ( 1.121 -6.517 0.000) 6.613 3.467 ( 1.564 17.002 0.000) 17.074 3.568 ( -2.505 11.207 0.000) 11.483 3.592 ( 1.144 0.999 0.000) 1.519 3.651 ( 3.209 4.969 0.000) 5.915 3.719 ( -1.529 2.255 0.000) 2.724 3.778 ( -1.953 -7.860 0.000) 8.099 3.835 ( -2.378 -7.217 0.000) 7.599 3.865 ( 4.343 -10.283 0.000) 11.163 4.113 ( 1.328 12.763 0.000) 12.832 4.159 ( -6.822 5.880 0.000) 9.007 4.244 ( -6.392 -2.125 0.000) 6.736 4.319 ( -0.145 -3.516 0.000) 3.519 4.393 ( -0.106 -2.550 0.000) 2.552 4.438 ( 0.533 -2.814 0.000) 2.864 4.514 ( 5.368 5.156 0.000) 7.443 4.564 ( -0.017 12.594 0.000) 12.594 4.677 ( -0.882 -6.311 0.000) 6.372 4.807 ( -0.557 2.188 0.000) 2.258 4.859 ( -1.345 -2.602 0.000) 2.929 4.961 ( -3.370 -20.110 0.000) 20.391 20.996 ( -0.073 0.584 0.000) 0.589 20.999 ( 0.153 0.453 0.000) 0.478 21.001 ( -0.026 0.158 0.000) 0.161 21.005 ( -0.119 -0.315 0.000) 0.336 21.118 ( -0.085 0.218 0.000) 0.234 21.125 ( 0.128 -0.463 0.000) 0.480 21.148 ( -0.396 0.658 0.000) 0.768 21.162 ( -0.120 -0.801 0.000) 0.810 24.143 ( 0.322 0.278 0.000) 0.425 24.149 ( 0.251 -0.348 0.000) 0.429 24.185 ( -0.191 0.096 0.000) 0.214 24.189 ( -0.198 -0.230 0.000) 0.304 32.167 ( -0.198 0.264 0.000) 0.330 32.170 ( -0.161 0.355 0.000) 0.390 32.173 ( 0.065 -0.318 0.000) 0.325 32.177 ( -0.102 -0.402 0.000) 0.415 41.674 ( 3.426 3.978 0.000) 5.250 41.715 ( 4.102 -0.173 0.000) 4.105 41.989 ( 2.963 4.006 0.000) 4.983 42.079 ( 1.954 -4.788 0.000) 5.171 42.714 ( -3.504 3.984 0.000) 5.306 42.718 ( -6.499 8.145 0.000) 10.421 42.832 ( -2.287 -7.758 0.000) 8.088 42.864 ( -5.901 -6.604 0.000) 8.857======================= Grid point 30 (19/80) =======================q-point: ( 0.29 0.44 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 128Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.598 ( 11.657 10.693 0.000) 15.818 1.769 ( 8.848 11.916 0.000) 14.841 1.796 ( 9.918 -9.218 0.000) 13.541 1.962 ( 4.675 -5.987 0.000) 7.596 2.201 ( -0.063 5.446 0.000) 5.447 2.342 ( -1.102 -7.207 0.000) 7.291 2.413 ( -7.676 6.942 0.000) 10.349 2.536 ( -6.065 -5.025 0.000) 7.876 2.580 ( 5.500 8.139 0.000) 9.823 2.692 ( 1.604 1.221 0.000) 2.016 2.789 ( 0.005 5.593 0.000) 5.593 2.896 ( -2.950 -5.006 0.000) 5.810 2.930 ( 7.929 -3.494 0.000) 8.665 2.969 ( 2.353 -4.715 0.000) 5.269 3.158 ( -0.264 7.446 0.000) 7.451 3.298 ( -0.608 -5.677 0.000) 5.709 3.499 ( 1.537 14.325 0.000) 14.407 3.531 ( -0.950 12.239 0.000) 12.276 3.611 ( 0.779 0.391 0.000) 0.872 3.672 ( -2.897 3.295 0.000) 4.388 3.727 ( 3.837 7.911 0.000) 8.792 3.747 ( -2.217 -8.758 0.000) 9.034 3.790 ( -0.598 -7.799 0.000) 7.822 3.971 ( 5.197 -11.738 0.000) 12.837 4.023 ( -5.555 6.827 0.000) 8.801 4.119 ( -6.077 -3.514 0.000) 7.020 4.122 ( -0.824 11.326 0.000) 11.356 4.297 ( -2.220 -1.308 0.000) 2.577 4.397 ( 0.566 -1.660 0.000) 1.754 4.469 ( 2.703 -5.071 0.000) 5.746 4.531 ( -2.672 9.800 0.000) 10.158 4.610 ( 3.511 5.937 0.000) 6.897 4.661 ( -0.614 -6.130 0.000) 6.161 4.789 ( -1.466 1.236 0.000) 1.917 4.828 ( -1.585 -2.426 0.000) 2.898 4.884 ( -4.109 -16.389 0.000) 16.896 20.995 ( -0.066 0.522 0.000) 0.527 21.000 ( -0.118 0.384 0.000) 0.402 21.003 ( 0.172 0.231 0.000) 0.288 21.004 ( -0.026 -0.317 0.000) 0.318 21.117 ( -0.019 0.446 0.000) 0.447 21.130 ( 0.355 -0.748 0.000) 0.828 21.138 ( -0.596 0.969 0.000) 1.137 21.158 ( -0.349 -0.999 0.000) 1.058 24.151 ( 0.521 0.169 0.000) 0.548 24.156 ( 0.434 -0.290 0.000) 0.522 24.180 ( -0.361 0.080 0.000) 0.370 24.183 ( -0.372 -0.226 0.000) 0.435 32.163 ( -0.152 0.457 0.000) 0.481 32.166 ( -0.211 0.437 0.000) 0.485 32.173 ( -0.002 -0.522 0.000) 0.522 32.175 ( -0.118 -0.475 0.000) 0.489 41.773 ( 6.877 5.233 0.000) 8.642 41.824 ( 7.117 -0.302 0.000) 7.123 42.055 ( 3.063 3.477 0.000) 4.634 42.120 ( 1.945 -2.713 0.000) 3.338 42.554 ( -9.681 10.196 0.000) 14.060 42.622 ( -5.995 5.429 0.000) 8.088 42.738 ( -6.281 -8.867 0.000) 10.867 42.772 ( -3.916 -9.458 0.000) 10.236======================= Grid point 31 (20/80) =======================q-point: ( 0.43 0.44 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 128Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.808 ( 9.616 9.723 0.000) 13.675 1.903 ( 2.260 8.930 0.000) 9.212 1.970 ( 7.097 -5.736 0.000) 9.125 2.011 ( 0.945 1.755 0.000) 1.993 2.216 ( 0.988 -0.790 0.000) 1.265 2.271 ( -6.397 5.945 0.000) 8.733 2.314 ( 0.699 -6.629 0.000) 6.666 2.407 ( -6.975 -6.625 0.000) 9.620 2.689 ( 5.354 6.596 0.000) 8.495 2.737 ( 3.591 2.304 0.000) 4.266 2.767 ( -2.634 4.638 0.000) 5.334 2.820 ( -4.657 -1.019 0.000) 4.767 3.033 ( 4.576 -0.378 0.000) 4.592 3.107 ( 9.170 -7.347 0.000) 11.751 3.118 ( -3.789 5.271 0.000) 6.492 3.248 ( -5.092 -6.391 0.000) 8.172 3.518 ( 0.510 12.310 0.000) 12.320 3.524 ( -0.217 11.617 0.000) 11.619 3.623 ( 0.590 0.314 0.000) 0.668 3.638 ( -0.878 1.980 0.000) 2.166 3.707 ( -0.031 -1.808 0.000) 1.808 3.747 ( -2.185 6.194 0.000) 6.568 3.828 ( 3.658 -7.291 0.000) 8.157 3.908 ( -4.408 -1.760 0.000) 4.747 4.039 ( 0.103 -1.064 0.000) 1.069 4.082 ( -3.061 7.650 0.000) 8.239 4.122 ( 6.513 -4.736 0.000) 8.053 4.233 ( -4.684 -3.576 0.000) 5.893 4.422 ( 2.063 2.566 0.000) 3.292 4.472 ( -3.146 6.747 0.000) 7.445 4.530 ( 3.617 -5.701 0.000) 6.752 4.599 ( -3.227 -4.502 0.000) 5.539 4.697 ( 3.143 2.157 0.000) 3.811 4.751 ( -2.473 1.474 0.000) 2.879 4.810 ( -0.220 -4.389 0.000) 4.395 4.824 ( -1.921 -9.818 0.000) 10.004 20.995 ( 0.064 0.555 0.000) 0.559 20.997 ( -0.166 0.542 0.000) 0.567 21.004 ( 0.061 -0.299 0.000) 0.306 21.005 ( 0.037 -0.088 0.000) 0.096 21.119 ( 0.256 0.823 0.000) 0.861 21.127 ( -0.539 1.065 0.000) 1.194 21.138 ( 0.549 -1.020 0.000) 1.158 21.149 ( -0.542 -1.107 0.000) 1.233 24.162 ( 0.563 0.087 0.000) 0.570 24.165 ( 0.516 -0.240 0.000) 0.569 24.172 ( -0.493 0.066 0.000) 0.497 24.175 ( -0.490 -0.224 0.000) 0.539 32.161 ( -0.022 0.535 0.000) 0.536 32.162 ( -0.128 0.515 0.000) 0.530 32.173 ( -0.002 -0.600 0.000) 0.600 32.173 ( -0.059 -0.563 0.000) 0.566 41.924 ( 8.479 5.682 0.000) 10.207 41.975 ( 8.467 -0.000 0.000) 8.467 42.053 ( -3.919 4.565 0.000) 6.017 42.114 ( -4.397 -1.613 0.000) 4.683 42.430 ( -0.926 11.661 0.000) 11.698 42.500 ( -6.254 7.799 0.000) 9.997 42.664 ( -0.877 -12.062 0.000) 12.094 42.696 ( -3.533 -11.531 0.000) 12.060======================= Grid point 63 (21/80) =======================q-point: ( 0.00 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.368 ( 0.000 0.000 17.252) 17.252 0.417 ( 0.000 0.000 19.639) 19.639 0.822 ( 0.000 0.000 38.305) 38.305 1.598 ( 0.000 0.000 -3.939) 3.939 1.756 ( 0.000 0.000 -2.291) 2.291 2.051 ( 0.000 0.000 -2.733) 2.733 2.126 ( 0.000 0.000 1.591) 1.591 2.222 ( 0.000 0.000 0.692) 0.692 2.571 ( 0.000 0.000 2.962) 2.962 2.593 ( 0.000 0.000 16.001) 16.001 2.748 ( 0.000 0.000 2.022) 2.022 2.821 ( 0.000 0.000 -1.297) 1.297 2.844 ( 0.000 0.000 -5.685) 5.685 2.932 ( 0.000 0.000 -1.309) 1.309 2.970 ( 0.000 0.000 -0.239) 0.239 2.989 ( 0.000 0.000 -1.014) 1.014 3.208 ( 0.000 0.000 5.160) 5.160 3.321 ( 0.000 0.000 6.577) 6.577 3.336 ( 0.000 0.000 -1.422) 1.422 3.351 ( 0.000 0.000 1.067) 1.067 3.582 ( 0.000 0.000 1.089) 1.089 3.650 ( 0.000 0.000 -5.891) 5.891 3.776 ( 0.000 0.000 1.865) 1.865 3.910 ( 0.000 0.000 0.340) 0.340 4.081 ( 0.000 0.000 1.163) 1.163 4.167 ( 0.000 0.000 0.223) 0.223 4.344 ( 0.000 0.000 -0.699) 0.699 4.513 ( 0.000 0.000 2.756) 2.756 4.561 ( 0.000 0.000 -1.077) 1.077 4.651 ( 0.000 0.000 2.064) 2.064 4.664 ( 0.000 0.000 -5.838) 5.838 4.729 ( 0.000 0.000 -5.738) 5.738 4.801 ( 0.000 0.000 -1.613) 1.613 4.870 ( 0.000 0.000 -1.718) 1.718 5.087 ( 0.000 0.000 -2.081) 2.081 5.702 ( 0.000 0.000 -7.271) 7.271 20.932 ( 0.000 0.000 0.225) 0.225 20.944 ( 0.000 0.000 0.219) 0.219 20.980 ( 0.000 0.000 -0.290) 0.290 20.987 ( 0.000 0.000 -0.212) 0.212 21.126 ( 0.000 0.000 0.150) 0.150 21.137 ( 0.000 0.000 0.182) 0.182 21.148 ( 0.000 0.000 -0.143) 0.143 21.207 ( 0.000 0.000 -0.527) 0.527 24.129 ( 0.000 0.000 0.169) 0.169 24.165 ( 0.000 0.000 -0.210) 0.210 24.210 ( 0.000 0.000 -0.119) 0.119 24.224 ( 0.000 0.000 -0.252) 0.252 32.170 ( 0.000 0.000 0.053) 0.053 32.177 ( 0.000 0.000 -0.160) 0.160 32.178 ( 0.000 0.000 0.030) 0.030 32.192 ( 0.000 0.000 0.024) 0.024 40.494 ( 0.000 0.000 3.967) 3.967 41.277 ( 0.000 0.000 -4.100) 4.100 41.419 ( 0.000 0.000 3.367) 3.367 41.892 ( 0.000 0.000 3.418) 3.418 42.072 ( 0.000 0.000 -3.395) 3.395 42.546 ( 0.000 0.000 -5.548) 5.548 43.488 ( 0.000 0.000 7.819) 7.819 44.351 ( 0.000 0.000 -3.232) 3.232======================= Grid point 64 (22/80) =======================q-point: ( 0.14 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.532 ( 14.426 0.000 11.660) 18.549 0.677 ( 19.540 0.000 14.009) 24.043 1.011 ( 19.350 0.000 29.147) 34.985 1.624 ( 2.503 0.000 -4.263) 4.944 1.811 ( 4.531 0.000 -1.571) 4.796 2.025 ( -8.723 0.000 2.923) 9.200 2.076 ( 0.302 0.000 -1.430) 1.462 2.219 ( -1.616 0.000 0.082) 1.618 2.534 ( -4.229 0.000 11.484) 12.238 2.592 ( 1.934 0.000 2.773) 3.381 2.750 ( 0.115 0.000 0.652) 0.662 2.803 ( -1.763 0.000 -0.771) 1.925 2.817 ( 4.719 0.000 2.706) 5.439 2.937 ( 0.495 0.000 -1.128) 1.232 2.971 ( 0.015 0.000 -0.212) 0.213 3.134 ( 3.022 0.000 -3.610) 4.708 3.284 ( -1.403 0.000 4.923) 5.120 3.344 ( 0.724 0.000 -0.788) 1.070 3.360 ( 0.902 0.000 -0.097) 0.907 3.412 ( 12.075 0.000 -7.914) 14.437 3.489 ( -5.766 0.000 -1.813) 6.044 3.670 ( -1.072 0.000 -2.065) 2.326 3.773 ( 0.582 0.000 -0.131) 0.597 3.865 ( -3.405 0.000 1.132) 3.588 4.079 ( 0.699 0.000 -0.415) 0.813 4.214 ( 2.316 0.000 0.574) 2.386 4.365 ( 2.195 0.000 -1.036) 2.427 4.503 ( -0.274 0.000 1.919) 1.938 4.575 ( -5.102 0.000 -4.891) 7.068 4.596 ( 2.106 0.000 -0.065) 2.107 4.656 ( 1.248 0.000 1.853) 2.234 4.731 ( -6.634 0.000 1.191) 6.740 4.847 ( -2.406 0.000 -1.631) 2.907 4.854 ( 8.543 0.000 -8.048) 11.737 5.068 ( -1.915 0.000 -1.907) 2.703 5.519 ( -12.089 0.000 1.598) 12.194 20.932 ( 0.007 0.000 0.230) 0.230 20.943 ( -0.119 0.000 0.225) 0.254 20.981 ( 0.097 0.000 -0.291) 0.307 20.987 ( 0.032 0.000 -0.224) 0.226 21.126 ( 0.096 0.000 0.209) 0.230 21.138 ( 0.105 0.000 0.165) 0.196 21.154 ( 0.393 0.000 0.045) 0.395 21.207 ( -0.207 0.000 -0.598) 0.633 24.147 ( 1.270 0.000 -0.819) 1.511 24.166 ( 0.160 0.000 -0.196) 0.253 24.208 ( -0.177 0.000 -0.120) 0.214 24.215 ( -0.689 0.000 0.241) 0.729 32.162 ( -0.521 0.000 -0.143) 0.540 32.171 ( -0.202 0.000 -0.068) 0.213 32.195 ( 0.647 0.000 0.025) 0.647 32.198 ( 0.661 0.000 0.273) 0.715 40.519 ( 2.612 0.000 3.827) 4.633 41.165 ( -8.212 0.000 -0.981) 8.270 41.523 ( 7.498 0.000 0.313) 7.504 41.934 ( 4.378 0.000 3.500) 5.605 42.053 ( -2.010 0.000 -3.317) 3.879 42.588 ( 1.917 0.000 -7.749) 7.982 43.488 ( -0.002 0.000 6.723) 6.723 43.976 ( -24.056 0.000 15.599) 28.670======================= Grid point 65 (23/80) =======================q-point: ( 0.29 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.840 ( 17.228 0.000 6.774) 18.512 1.031 ( 17.734 0.000 14.267) 22.760 1.478 ( 27.059 0.000 14.836) 30.859 1.658 ( -1.997 0.000 -4.773) 5.174 1.820 ( -5.351 0.000 4.645) 7.085 1.859 ( -5.500 0.000 4.850) 7.332 2.130 ( 7.233 0.000 -1.446) 7.376 2.152 ( -5.237 0.000 -0.356) 5.249 2.464 ( -3.235 0.000 6.119) 6.922 2.634 ( 2.310 0.000 2.410) 3.338 2.745 ( -4.853 0.000 0.549) 4.884 2.762 ( -2.302 0.000 0.338) 2.327 2.908 ( 4.807 0.000 1.640) 5.079 2.948 ( 0.603 0.000 -0.791) 0.994 2.970 ( -0.109 0.000 -0.199) 0.227 3.130 ( -1.043 0.000 -1.556) 1.873 3.290 ( 1.568 0.000 3.479) 3.816 3.346 ( -6.119 0.000 6.342) 8.812 3.360 ( 0.888 0.000 -0.472) 1.006 3.379 ( 0.798 0.000 -1.329) 1.550 3.568 ( 2.736 0.000 -8.056) 8.508 3.631 ( -2.112 0.000 -2.306) 3.127 3.751 ( -2.356 0.000 -0.627) 2.438 3.855 ( 1.680 0.000 -1.391) 2.181 4.097 ( 0.733 0.000 -1.218) 1.422 4.205 ( -3.300 0.000 1.852) 3.784 4.424 ( 3.723 0.000 -1.810) 4.140 4.496 ( -2.921 0.000 -4.887) 5.694 4.512 ( 1.078 0.000 1.232) 1.637 4.601 ( -5.909 0.000 1.445) 6.083 4.603 ( -0.643 0.000 1.626) 1.748 4.723 ( 4.955 0.000 0.512) 4.982 4.782 ( -4.177 0.000 -1.272) 4.367 5.015 ( 6.713 0.000 -7.681) 10.201 5.015 ( -2.380 0.000 -2.218) 3.253 5.352 ( -6.085 0.000 -0.828) 6.141 20.933 ( 0.042 0.000 0.241) 0.245 20.940 ( -0.172 0.000 0.237) 0.293 20.984 ( 0.139 0.000 -0.293) 0.324 20.988 ( 0.014 0.000 -0.250) 0.250 21.131 ( 0.370 0.000 0.149) 0.399 21.140 ( 0.119 0.000 0.191) 0.225 21.162 ( 0.413 0.000 0.231) 0.473 21.198 ( -0.660 0.000 -0.345) 0.745 24.166 ( 0.699 0.000 -0.702) 0.991 24.171 ( 0.310 0.000 -0.232) 0.387 24.202 ( -0.447 0.000 0.186) 0.484 24.205 ( -0.336 0.000 -0.042) 0.338 32.155 ( -0.215 0.000 -0.099) 0.237 32.165 ( -0.344 0.000 -0.053) 0.348 32.205 ( 0.466 0.000 0.300) 0.554 32.210 ( 0.455 0.000 0.460) 0.647 40.592 ( 4.950 0.000 3.413) 6.012 41.004 ( -8.575 0.000 0.689) 8.602 41.665 ( 7.318 0.000 -1.172) 7.411 41.997 ( -3.833 0.000 -3.081) 4.917 42.053 ( 7.975 0.000 3.628) 8.762 42.560 ( -5.031 0.000 -3.368) 6.054 43.489 ( 0.247 0.000 4.164) 4.171 43.661 ( -9.945 0.000 10.181) 14.232======================= Grid point 66 (24/80) =======================q-point: ( 0.43 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.167 ( 16.885 0.000 3.939) 17.339 1.350 ( 15.739 0.000 12.504) 20.101 1.470 ( -14.619 0.000 1.100) 14.660 1.619 ( -12.124 0.000 9.602) 15.466 1.898 ( 6.346 0.000 0.519) 6.367 2.005 ( 24.640 0.000 7.934) 25.886 2.032 ( -7.129 0.000 -0.410) 7.141 2.281 ( 4.829 0.000 -2.364) 5.377 2.390 ( -4.540 0.000 3.864) 5.962 2.521 ( -15.194 0.000 1.542) 15.272 2.677 ( 2.213 0.000 1.990) 2.976 2.719 ( -2.249 0.000 1.338) 2.617 2.959 ( 0.487 0.000 -0.492) 0.692 2.966 ( -0.291 0.000 -0.288) 0.409 3.004 ( 5.437 0.000 1.166) 5.560 3.107 ( -4.198 0.000 -0.424) 4.219 3.276 ( 1.855 0.000 5.433) 5.740 3.320 ( -0.824 0.000 3.004) 3.115 3.376 ( 0.768 0.000 -0.946) 1.218 3.385 ( -0.121 0.000 -1.393) 1.398 3.575 ( -0.582 0.000 -1.245) 1.374 3.591 ( -2.018 0.000 -0.623) 2.112 3.768 ( 4.382 0.000 -0.739) 4.444 3.854 ( -2.814 0.000 -1.845) 3.365 4.102 ( 0.104 0.000 -1.157) 1.161 4.127 ( -3.288 0.000 0.432) 3.316 4.477 ( 0.847 0.000 -3.800) 3.893 4.491 ( 2.993 0.000 -1.649) 3.418 4.517 ( -3.196 0.000 -1.685) 3.613 4.527 ( -0.408 0.000 -0.721) 0.828 4.609 ( 2.430 0.000 2.112) 3.220 4.689 ( -5.047 0.000 -0.101) 5.048 4.829 ( 5.644 0.000 -0.230) 5.649 4.932 ( -5.018 0.000 -0.838) 5.088 5.150 ( 6.220 0.000 -6.901) 9.290 5.254 ( -4.938 0.000 -4.443) 6.643 20.934 ( 0.102 0.000 0.249) 0.268 20.937 ( -0.157 0.000 0.247) 0.293 20.986 ( 0.114 0.000 -0.290) 0.311 20.988 ( -0.048 0.000 -0.275) 0.279 21.138 ( 0.308 0.000 0.163) 0.349 21.141 ( -0.044 0.000 0.203) 0.208 21.171 ( 0.591 0.000 0.148) 0.609 21.184 ( -0.767 0.000 -0.080) 0.771 24.174 ( 0.284 0.000 -0.181) 0.337 24.176 ( 0.140 0.000 -0.301) 0.332 24.196 ( -0.068 0.000 -0.009) 0.068 24.199 ( -0.296 0.000 -0.178) 0.346 32.154 ( 0.114 0.000 -0.038) 0.121 32.159 ( -0.327 0.000 -0.013) 0.327 32.212 ( 0.286 0.000 0.436) 0.522 32.214 ( 0.055 0.000 0.495) 0.498 40.704 ( 6.794 0.000 2.746) 7.328 40.846 ( -8.019 0.000 1.845) 8.228 41.797 ( 6.507 0.000 -2.062) 6.826 41.910 ( -5.344 0.000 -2.673) 5.975 42.227 ( 9.989 0.000 3.324) 10.528 42.416 ( -9.445 0.000 1.472) 9.559 43.502 ( 1.257 0.000 2.296) 2.618 43.544 ( -3.512 0.000 3.697) 5.100======================= Grid point 70 (25/80) =======================q-point: ( 0.00 0.11 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 128Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.562 ( 0.000 13.523 14.451) 19.791 0.631 ( 0.000 16.737 14.772) 22.323 1.155 ( 0.000 29.208 22.273) 36.732 1.742 ( 0.000 11.648 -2.509) 11.915 1.784 ( 0.000 3.718 -3.006) 4.781 2.037 ( 0.000 0.119 -1.907) 1.910 2.215 ( 0.000 7.844 2.164) 8.137 2.271 ( 0.000 4.150 3.322) 5.315 2.561 ( 0.000 -0.758 2.616) 2.724 2.625 ( 0.000 2.217 11.778) 11.984 2.729 ( 0.000 -1.702 1.460) 2.242 2.762 ( 0.000 -1.336 -0.924) 1.625 2.859 ( 0.000 2.516 -1.486) 2.922 2.962 ( 0.000 2.067 -0.390) 2.104 3.001 ( 0.000 2.446 -0.560) 2.510 3.004 ( 0.000 -3.156 0.758) 3.245 3.168 ( 0.000 1.164 3.583) 3.767 3.310 ( 0.000 2.647 3.110) 4.084 3.411 ( 0.000 4.254 -2.092) 4.741 3.428 ( 0.000 4.001 3.475) 5.299 3.545 ( 0.000 -3.948 1.987) 4.420 3.668 ( 0.000 1.787 -5.325) 5.616 3.825 ( 0.000 4.984 2.302) 5.490 3.910 ( 0.000 0.037 0.686) 0.687 4.054 ( 0.000 -2.517 0.583) 2.583 4.126 ( 0.000 -5.368 0.401) 5.383 4.262 ( 0.000 -8.526 7.034) 11.053 4.344 ( 0.000 -0.152 -0.608) 0.627 4.499 ( 0.000 -1.415 2.181) 2.600 4.536 ( 0.000 -5.411 0.619) 5.446 4.711 ( 0.000 -2.428 -2.977) 3.842 4.714 ( 0.000 -2.421 -4.683) 5.272 4.760 ( 0.000 -2.889 -4.729) 5.541 4.880 ( 0.000 0.410 -3.059) 3.086 5.083 ( 0.000 -0.820 -0.524) 0.973 5.810 ( 0.000 0.586 -9.202) 9.221 20.940 ( 0.000 0.736 0.170) 0.756 20.950 ( 0.000 0.566 0.204) 0.602 20.981 ( 0.000 -0.040 -0.350) 0.352 21.008 ( 0.000 1.195 -0.490) 1.291 21.119 ( 0.000 -0.503 0.181) 0.534 21.131 ( 0.000 -0.075 -0.069) 0.102 21.146 ( 0.000 -0.244 -0.152) 0.288 21.203 ( 0.000 -0.430 -0.466) 0.634 24.129 ( 0.000 0.063 0.156) 0.168 24.163 ( 0.000 -0.161 -0.203) 0.259 24.204 ( 0.000 -1.002 0.632) 1.184 24.207 ( 0.000 -0.227 -0.128) 0.261 32.169 ( 0.000 -0.090 0.075) 0.117 32.175 ( 0.000 -0.197 -0.151) 0.248 32.177 ( 0.000 -0.102 0.004) 0.102 32.190 ( 0.000 -0.071 -0.025) 0.075 41.315 ( 0.000 3.724 -3.824) 5.338 41.342 ( 0.000 37.821 -34.246) 51.022 41.476 ( 0.000 13.408 -6.681) 14.980 41.907 ( 0.000 1.715 4.188) 4.526 42.093 ( 0.000 1.694 -4.667) 4.965 42.538 ( 0.000 -0.520 -4.147) 4.179 43.431 ( 0.000 -5.466 7.702) 9.444 44.008 ( 0.000 -23.587 16.621) 28.855======================= Grid point 71 (26/80) =======================q-point: ( 0.14 0.11 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 221Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.745 ( 11.581 14.845 10.251) 21.437 0.771 ( 17.045 9.320 11.561) 22.607 1.287 ( 13.558 25.515 20.182) 35.245 1.744 ( -0.086 9.067 -1.622) 9.212 1.838 ( 5.325 3.854 -2.424) 7.006 2.059 ( -1.004 1.594 1.394) 2.344 2.118 ( -5.798 6.140 0.219) 8.448 2.279 ( -0.967 5.690 3.326) 6.662 2.570 ( -1.747 2.240 5.566) 6.249 2.595 ( 0.417 0.630 4.561) 4.623 2.747 ( 0.450 -1.247 -0.069) 1.328 2.772 ( 2.292 -0.311 2.084) 3.113 2.874 ( -0.074 5.360 -1.361) 5.531 2.961 ( 0.409 1.114 -0.821) 1.443 3.014 ( 0.318 1.739 -0.006) 1.768 3.051 ( 5.212 -4.224 1.104) 6.799 3.285 ( 4.460 -3.650 -2.579) 6.314 3.311 ( 1.224 3.673 2.728) 4.736 3.398 ( -0.358 3.360 -1.071) 3.545 3.466 ( -5.643 -2.242 1.631) 6.287 3.481 ( 5.365 3.392 -1.618) 6.551 3.678 ( -0.656 0.974 -2.955) 3.180 3.823 ( 0.037 4.817 0.860) 4.894 3.869 ( -3.068 0.439 1.519) 3.452 4.058 ( 0.996 -1.956 -0.921) 2.381 4.197 ( 4.834 -4.097 -0.278) 6.342 4.239 ( -1.635 -12.029 7.712) 14.382 4.365 ( 2.144 -0.229 -0.835) 2.313 4.462 ( -3.290 -4.904 0.683) 5.945 4.564 ( 0.922 -3.526 0.294) 3.656 4.634 ( -1.004 0.465 -3.246) 3.430 4.731 ( -0.075 -3.980 -0.566) 4.020 4.805 ( 0.009 -0.977 -5.367) 5.456 4.908 ( 4.107 -0.703 -4.529) 6.154 5.059 ( -2.513 -0.976 -0.341) 2.717 5.652 ( -13.402 4.054 -4.489) 14.704 20.940 ( 0.035 0.761 0.176) 0.782 20.951 ( 0.095 0.679 0.058) 0.688 20.981 ( 0.051 -0.090 -0.330) 0.346 21.002 ( -0.533 1.105 -0.218) 1.246 21.121 ( 0.240 -0.506 0.184) 0.590 21.131 ( 0.034 -0.235 0.125) 0.269 21.150 ( 0.333 -0.330 -0.051) 0.472 21.202 ( -0.198 -0.444 -0.467) 0.674 24.143 ( 1.085 -0.308 -0.342) 1.179 24.165 ( 0.173 -0.151 -0.198) 0.303 24.201 ( -0.295 -0.791 0.548) 1.006 24.206 ( -0.154 -0.261 -0.120) 0.326 32.161 ( -0.533 -0.083 -0.142) 0.558 32.167 ( -0.333 -0.247 0.015) 0.415 32.190 ( 0.647 -0.310 0.032) 0.718 32.196 ( 0.523 -0.153 0.253) 0.601 41.167 ( -11.735 33.909 -18.094) 40.186 41.243 ( -8.295 15.838 -6.445) 19.005 41.545 ( 6.693 2.278 -0.305) 7.077 41.946 ( 4.073 1.365 4.264) 6.052 42.076 ( -1.846 1.995 -4.484) 5.244 42.577 ( 1.812 -0.922 -6.535) 6.844 43.428 ( -0.342 -5.800 6.769) 8.920 43.798 ( -15.764 -14.468 18.509) 28.291======================= Grid point 72 (27/80) =======================q-point: ( 0.29 0.11 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 221Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.005 ( 15.152 11.803 6.572) 20.300 1.108 ( 16.983 7.890 9.574) 21.031 1.633 ( 21.172 16.429 13.891) 30.184 1.723 ( -2.648 4.331 2.363) 5.599 1.848 ( -10.676 6.300 1.370) 12.472 1.991 ( 3.854 8.318 1.668) 9.317 2.131 ( 2.935 2.592 -1.686) 4.263 2.243 ( -1.333 7.165 2.561) 7.725 2.511 ( -3.434 3.893 3.561) 6.296 2.618 ( -0.017 -1.468 2.255) 2.691 2.749 ( -0.900 -2.181 0.856) 2.510 2.778 ( -1.796 2.836 1.448) 3.657 2.904 ( 2.823 2.934 -0.156) 4.074 2.971 ( 0.552 1.414 -1.002) 1.819 3.021 ( 0.511 3.290 0.165) 3.333 3.132 ( 2.471 -0.097 -1.258) 2.775 3.259 ( -6.497 -4.324 3.343) 8.490 3.291 ( -0.190 1.236 4.753) 4.915 3.404 ( 0.829 3.498 -1.164) 3.778 3.431 ( 1.590 1.585 -0.052) 2.246 3.576 ( 2.353 0.724 -5.549) 6.070 3.648 ( -1.956 1.684 -1.382) 2.928 3.785 ( -2.354 2.849 -0.925) 3.809 3.872 ( 2.050 2.088 -0.594) 2.986 4.078 ( 0.573 -1.764 -1.152) 2.183 4.156 ( -5.110 -5.297 3.390) 8.103 4.307 ( 4.116 -11.304 1.025) 12.073 4.383 ( -2.751 -7.406 -1.990) 8.147 4.430 ( 3.578 -0.652 -1.732) 4.028 4.571 ( 0.996 2.062 -0.254) 2.305 4.681 ( 3.502 -2.083 -0.534) 4.110 4.725 ( -0.296 -0.788 -0.450) 0.954 4.766 ( -2.816 -1.018 -3.324) 4.473 4.986 ( -3.522 -1.201 -0.989) 3.850 5.012 ( 4.537 -2.843 -4.787) 7.182 5.407 ( -11.129 2.701 -2.000) 11.625 20.942 ( 0.098 0.837 0.178) 0.861 20.951 ( -0.109 0.937 -0.017) 0.944 20.983 ( 0.088 -0.162 -0.284) 0.338 20.993 ( -0.368 0.564 -0.059) 0.676 21.127 ( 0.352 -0.554 0.215) 0.691 21.133 ( 0.167 -0.375 0.277) 0.495 21.157 ( 0.456 -0.337 0.046) 0.569 21.194 ( -0.570 -0.329 -0.333) 0.738 24.161 ( 0.794 -0.405 -0.479) 1.012 24.169 ( 0.322 -0.127 -0.232) 0.417 24.194 ( -0.335 -0.558 0.377) 0.752 24.201 ( -0.299 -0.292 -0.152) 0.444 32.154 ( -0.253 -0.121 -0.111) 0.301 32.161 ( -0.324 -0.345 -0.040) 0.475 32.200 ( 0.450 -0.367 0.280) 0.644 32.206 ( 0.398 -0.327 0.439) 0.677 40.986 ( -5.771 31.205 -6.064) 32.308 41.105 ( -6.471 10.324 -0.175) 12.186 41.681 ( 7.220 1.464 -1.563) 7.531 42.013 ( -2.888 1.555 -2.921) 4.392 42.067 ( 6.661 1.334 3.214) 7.515 42.552 ( -4.705 -0.692 -2.779) 5.508 43.421 ( -0.229 -6.637 4.547) 8.048 43.564 ( -8.258 -8.901 10.777) 16.235======================= Grid point 73 (28/80) =======================q-point: ( 0.43 0.11 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 221Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.299 ( 15.615 9.247 4.303) 18.650 1.400 ( 13.472 7.166 9.236) 17.837 1.591 ( -14.391 5.340 4.885) 16.109 1.617 ( -8.903 6.441 5.779) 12.416 1.980 ( 10.362 9.343 3.728) 14.442 2.089 ( -1.191 6.558 0.148) 6.667 2.168 ( 12.169 11.272 5.250) 17.398 2.317 ( 6.806 2.870 -1.816) 7.607 2.429 ( -5.904 3.487 1.986) 7.139 2.513 ( -11.944 -0.062 2.769) 12.261 2.726 ( -0.557 3.219 1.514) 3.600 2.735 ( -1.184 1.481 1.762) 2.588 2.957 ( 2.164 0.937 0.002) 2.358 2.976 ( -0.133 1.387 -0.626) 1.527 3.044 ( 2.433 3.254 0.798) 4.141 3.121 ( -4.949 1.043 1.272) 5.216 3.199 ( 2.835 -3.179 1.823) 4.633 3.267 ( -3.058 -2.508 0.828) 4.041 3.444 ( 3.337 3.949 1.155) 5.298 3.474 ( 1.633 5.056 0.290) 5.321 3.574 ( -1.122 -0.119 -0.454) 1.216 3.601 ( -2.860 0.963 0.322) 3.035 3.797 ( 3.743 3.091 -1.596) 5.110 3.878 ( -2.680 2.850 -2.266) 4.521 4.069 ( -1.687 -4.473 0.187) 4.784 4.072 ( -1.636 -3.651 -0.996) 4.123 4.351 ( 0.855 -8.638 -1.617) 8.829 4.359 ( -0.077 -8.622 -1.673) 8.783 4.514 ( 4.645 0.256 -2.683) 5.370 4.582 ( -1.386 1.987 -2.016) 3.151 4.685 ( -0.233 3.091 -0.314) 3.115 4.713 ( -2.176 1.162 -0.221) 2.476 4.791 ( 5.010 -3.707 -0.158) 6.234 4.891 ( -5.359 -3.331 0.179) 6.312 5.117 ( 5.769 -3.409 -5.088) 8.414 5.237 ( -7.209 -1.728 -3.376) 8.146 20.944 ( 0.178 0.947 0.146) 0.974 20.948 ( -0.213 1.026 0.064) 1.050 20.985 ( 0.120 -0.144 -0.218) 0.288 20.988 ( -0.195 0.067 -0.126) 0.241 21.133 ( 0.239 -0.576 0.281) 0.684 21.135 ( 0.013 -0.473 0.317) 0.570 21.168 ( 0.658 -0.233 -0.022) 0.698 21.182 ( -0.744 -0.210 -0.168) 0.791 24.172 ( 0.371 -0.235 -0.183) 0.476 24.175 ( 0.125 -0.127 -0.267) 0.321 24.190 ( 0.005 -0.483 0.077) 0.489 24.195 ( -0.360 -0.363 -0.166) 0.538 32.152 ( 0.054 -0.199 -0.065) 0.216 32.155 ( -0.262 -0.295 -0.043) 0.397 32.207 ( 0.280 -0.417 0.428) 0.661 32.210 ( 0.032 -0.408 0.475) 0.627 40.945 ( 0.841 21.319 -0.897) 21.354 40.999 ( -4.497 14.380 0.259) 15.069 41.813 ( 6.591 1.503 -2.415) 7.178 41.928 ( -5.438 1.695 -3.142) 6.505 42.231 ( 9.664 0.476 3.675) 10.350 42.414 ( -9.128 -0.084 1.847) 9.313 43.427 ( 0.976 -7.339 2.821) 7.923 43.463 ( -3.126 -7.703 4.271) 9.346======================= Grid point 77 (29/80) =======================q-point: ( 0.00 0.22 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 128Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.893 ( 0.000 18.578 9.244) 20.751 0.947 ( 0.000 14.931 14.857) 21.063 1.711 ( 0.000 19.597 5.688) 20.406 1.892 ( 0.000 1.565 1.023) 1.870 1.943 ( 0.000 15.200 -3.263) 15.547 2.112 ( 0.000 6.249 5.165) 8.107 2.391 ( 0.000 8.557 0.299) 8.562 2.397 ( 0.000 9.555 3.858) 10.304 2.540 ( 0.000 -0.865 2.117) 2.287 2.662 ( 0.000 1.306 4.518) 4.703 2.681 ( 0.000 -3.894 0.739) 3.963 2.779 ( 0.000 1.372 -0.999) 1.697 2.863 ( 0.000 -1.552 0.614) 1.669 2.898 ( 0.000 -1.560 0.783) 1.745 3.059 ( 0.000 5.306 2.239) 5.759 3.138 ( 0.000 10.317 -2.596) 10.638 3.230 ( 0.000 4.591 6.640) 8.072 3.425 ( 0.000 6.372 3.432) 7.238 3.427 ( 0.000 -7.047 1.559) 7.217 3.477 ( 0.000 2.331 -3.848) 4.499 3.506 ( 0.000 6.031 1.404) 6.192 3.707 ( 0.000 1.698 -4.351) 4.671 3.913 ( 0.000 0.346 0.944) 1.006 3.952 ( 0.000 6.391 0.981) 6.466 3.993 ( 0.000 -3.319 -0.681) 3.388 4.055 ( 0.000 -0.215 -1.948) 1.960 4.216 ( 0.000 -0.106 0.819) 0.826 4.331 ( 0.000 -1.428 -0.854) 1.663 4.397 ( 0.000 -6.995 0.853) 7.047 4.463 ( 0.000 -2.171 0.526) 2.234 4.623 ( 0.000 -5.065 -0.336) 5.076 4.645 ( 0.000 -4.422 -2.257) 4.964 4.734 ( 0.000 0.078 -5.264) 5.265 4.877 ( 0.000 -0.861 -4.409) 4.492 5.036 ( 0.000 -4.282 1.911) 4.689 5.698 ( 0.000 -10.427 -2.920) 10.828 20.959 ( 0.000 1.122 0.069) 1.124 20.965 ( 0.000 0.883 0.145) 0.895 20.981 ( 0.000 0.115 -0.588) 0.599 21.021 ( 0.000 0.222 0.403) 0.460 21.116 ( 0.000 0.157 -0.160) 0.224 21.132 ( 0.000 0.153 -0.280) 0.319 21.140 ( 0.000 -0.371 -0.141) 0.397 21.191 ( 0.000 -0.737 -0.347) 0.815 24.131 ( 0.000 0.137 0.119) 0.182 24.159 ( 0.000 -0.261 -0.182) 0.318 24.191 ( 0.000 -0.373 0.283) 0.468 24.201 ( 0.000 -0.348 -0.147) 0.378 32.167 ( 0.000 -0.061 0.104) 0.120 32.171 ( 0.000 -0.187 -0.137) 0.232 32.175 ( 0.000 -0.114 -0.030) 0.118 32.189 ( 0.000 -0.106 -0.050) 0.117 41.411 ( 0.000 5.478 -3.383) 6.438 41.503 ( 0.000 3.519 -2.292) 4.200 41.912 ( 0.000 5.297 -4.250) 6.791 42.057 ( 0.000 16.659 -24.872) 29.936 42.117 ( 0.000 0.128 -7.296) 7.297 42.544 ( 0.000 1.447 -1.370) 1.993 43.289 ( 0.000 -8.253 7.765) 11.332 43.616 ( 0.000 -15.724 19.739) 25.236======================= Grid point 78 (30/80) =======================q-point: ( 0.14 0.22 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 221Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.020 ( 11.050 14.563 9.951) 20.814 1.040 ( 10.194 15.046 10.190) 20.836 1.799 ( 8.738 18.173 5.426) 20.882 1.884 ( -0.959 4.782 1.914) 5.240 1.988 ( 4.482 13.442 -2.186) 14.337 2.106 ( -1.192 2.446 6.857) 7.377 2.290 ( -5.955 10.710 0.301) 12.258 2.424 ( 0.225 7.837 3.494) 8.584 2.574 ( 2.083 -0.542 0.842) 2.311 2.640 ( -2.209 2.756 2.881) 4.558 2.678 ( -0.257 -3.312 1.832) 3.793 2.845 ( 4.211 4.559 -1.474) 6.379 2.867 ( 2.190 -5.552 1.187) 6.085 2.958 ( 4.832 0.370 -1.570) 5.094 3.065 ( 0.596 5.318 2.392) 5.862 3.123 ( -0.698 7.970 0.400) 8.010 3.265 ( 1.279 2.744 0.207) 3.034 3.367 ( -2.306 -5.695 3.987) 7.324 3.423 ( -1.494 4.025 3.280) 5.403 3.492 ( 1.369 6.268 -2.225) 6.791 3.543 ( 2.877 4.173 -0.299) 5.077 3.706 ( -0.422 1.577 -3.663) 4.010 3.881 ( -2.853 1.298 0.587) 3.189 3.946 ( -0.543 6.240 1.486) 6.437 4.002 ( 1.120 -3.767 -0.583) 3.973 4.073 ( 1.388 -2.190 -1.853) 3.187 4.198 ( -1.479 -0.483 -0.605) 1.669 4.327 ( -3.892 -5.272 -0.067) 6.553 4.362 ( 0.423 -2.197 -0.250) 2.251 4.496 ( 3.053 -3.269 0.627) 4.517 4.618 ( -0.487 -2.603 -1.824) 3.215 4.639 ( 0.870 -4.170 -0.681) 4.314 4.774 ( 1.584 -1.740 -5.021) 5.545 4.878 ( 0.902 -1.788 -3.828) 4.320 5.011 ( -2.540 -4.173 1.822) 5.214 5.600 ( -9.462 -8.135 -1.953) 12.631 20.960 ( 0.104 1.164 0.062) 1.170 20.967 ( 0.180 0.845 0.016) 0.864 20.980 ( -0.059 0.059 -0.523) 0.529 21.017 ( -0.420 0.394 0.382) 0.691 21.116 ( -0.072 0.041 -0.223) 0.238 21.129 ( -0.183 0.006 0.101) 0.209 21.143 ( 0.301 -0.379 -0.109) 0.497 21.191 ( -0.098 -0.676 -0.336) 0.761 24.138 ( 0.687 -0.077 -0.002) 0.691 24.161 ( 0.193 -0.252 -0.181) 0.365 24.190 ( -0.177 -0.361 0.258) 0.477 24.200 ( -0.182 -0.358 -0.150) 0.428 32.160 ( -0.531 -0.027 -0.136) 0.548 32.164 ( -0.405 -0.059 0.016) 0.410 32.184 ( 0.520 -0.291 -0.015) 0.596 32.192 ( 0.304 -0.243 0.194) 0.435 41.360 ( -3.164 7.829 -2.851) 8.913 41.583 ( 6.277 2.687 -2.911) 7.422 41.837 ( -10.612 17.460 -20.201) 28.732 42.011 ( 1.308 6.970 2.028) 7.376 42.116 ( -1.362 1.936 -8.513) 8.836 42.567 ( 1.075 0.285 -3.403) 3.580 43.276 ( -1.335 -8.889 7.210) 11.523 43.513 ( -8.942 -13.121 18.032) 24.026======================= Grid point 79 (31/80) =======================q-point: ( 0.29 0.22 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 221Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.237 ( 12.361 12.054 9.999) 19.952 1.314 ( 15.877 11.981 4.118) 20.312 1.832 ( -4.761 6.960 5.536) 10.088 1.963 ( -0.625 7.846 1.531) 8.018 2.075 ( 7.184 16.786 7.337) 19.678 2.121 ( 7.509 6.345 -0.931) 9.875 2.230 ( 0.126 7.563 1.182) 7.656 2.408 ( -1.600 7.664 4.487) 9.023 2.582 ( -3.848 2.932 0.168) 4.841 2.595 ( -0.126 -1.294 0.376) 1.353 2.671 ( -0.269 -2.688 2.484) 3.670 2.878 ( 0.419 5.895 1.280) 6.047 2.943 ( 3.367 -1.975 -0.039) 3.904 3.039 ( 2.579 6.365 -4.132) 8.014 3.085 ( 1.792 2.482 2.358) 3.864 3.130 ( 0.782 1.320 1.969) 2.497 3.206 ( -4.273 0.063 1.901) 4.677 3.349 ( -2.751 1.763 1.827) 3.744 3.436 ( 3.716 2.160 1.641) 4.601 3.514 ( 1.072 6.977 -1.289) 7.176 3.594 ( 1.622 1.323 -2.360) 3.154 3.681 ( -2.377 1.529 -0.345) 2.847 3.836 ( -0.632 2.402 -0.247) 2.496 3.938 ( -0.083 3.680 -0.445) 3.708 4.022 ( 0.051 -3.624 0.550) 3.666 4.082 ( -1.151 -0.232 -1.605) 1.989 4.186 ( 0.523 -3.020 -2.764) 4.127 4.215 ( -5.287 -7.834 -1.148) 9.520 4.414 ( 4.025 -1.560 -1.183) 4.476 4.573 ( 4.925 -2.784 1.545) 5.865 4.624 ( 0.603 -2.374 -1.696) 2.980 4.663 ( 1.461 -3.773 -0.845) 4.133 4.756 ( -2.461 -0.725 -4.376) 5.073 4.927 ( 2.034 -4.907 -1.561) 5.536 4.943 ( -2.881 -3.474 0.253) 4.520 5.385 ( -12.072 -5.202 -0.820) 13.171 20.963 ( 0.204 1.254 0.015) 1.271 20.970 ( 0.080 0.838 -0.251) 0.879 20.980 ( 0.049 -0.028 -0.291) 0.296 21.006 ( -0.693 0.643 0.322) 0.999 21.115 ( 0.071 -0.365 0.008) 0.372 21.127 ( -0.098 -0.324 0.384) 0.512 21.151 ( 0.565 -0.308 -0.082) 0.649 21.186 ( -0.376 -0.507 -0.273) 0.688 24.153 ( 0.783 -0.321 -0.134) 0.857 24.166 ( 0.346 -0.229 -0.196) 0.458 24.185 ( -0.293 -0.358 0.201) 0.504 24.194 ( -0.348 -0.385 -0.156) 0.542 32.152 ( -0.299 -0.017 -0.129) 0.326 32.156 ( -0.365 -0.066 -0.068) 0.377 32.192 ( 0.338 -0.423 0.179) 0.571 32.198 ( 0.236 -0.454 0.382) 0.638 41.318 ( -1.015 12.214 -2.756) 12.562 41.597 ( -11.790 24.584 -13.307) 30.339 41.716 ( 6.978 1.882 -2.702) 7.716 42.060 ( -3.084 3.052 -4.833) 6.495 42.103 ( 5.968 2.453 4.144) 7.668 42.544 ( -3.945 0.208 -0.954) 4.064 43.244 ( -1.642 -10.545 5.950) 12.219 43.355 ( -6.593 -11.202 11.212) 17.166======================= Grid point 80 (32/80) =======================q-point: ( 0.43 0.22 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 221Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.474 ( 12.259 9.868 8.086) 17.693 1.597 ( 12.779 10.007 3.880) 16.688 1.694 ( -8.945 8.520 6.858) 14.130 1.825 ( -9.840 9.940 1.464) 14.063 2.225 ( 3.262 8.206 1.146) 8.905 2.229 ( 1.993 9.126 -0.155) 9.342 2.345 ( 10.031 4.889 1.084) 11.212 2.411 ( 4.298 6.154 5.749) 9.455 2.491 ( -5.351 4.227 -0.642) 6.850 2.553 ( -4.870 3.335 2.720) 6.498 2.694 ( 3.494 -2.654 3.058) 5.348 2.811 ( -7.359 3.278 3.596) 8.823 3.005 ( 3.489 1.692 -0.835) 3.966 3.051 ( -0.938 6.848 -1.635) 7.103 3.111 ( 0.161 0.027 2.956) 2.960 3.117 ( -0.183 3.469 1.367) 3.733 3.211 ( 2.985 2.178 -0.563) 3.737 3.279 ( -4.003 4.774 -0.459) 6.247 3.509 ( 3.642 2.393 3.673) 5.699 3.551 ( 3.209 3.577 -1.970) 5.193 3.579 ( -3.058 0.975 0.332) 3.227 3.620 ( -3.537 1.271 0.665) 3.817 3.879 ( 4.727 3.417 -0.605) 5.864 3.953 ( 1.722 -1.080 -2.669) 3.355 3.987 ( -4.416 2.661 -2.077) 5.558 4.003 ( -4.685 -1.587 0.019) 4.947 4.188 ( 1.040 -8.231 -3.190) 8.888 4.199 ( 0.226 -6.218 -2.858) 6.847 4.503 ( 5.108 -1.693 -1.947) 5.723 4.593 ( -3.735 -1.366 -2.232) 4.561 4.676 ( 3.959 -4.232 0.340) 5.805 4.703 ( 2.890 -4.096 -0.951) 5.102 4.721 ( 0.150 0.394 -1.369) 1.432 4.828 ( -6.582 -3.071 2.157) 7.576 5.026 ( 6.155 -5.397 -2.334) 8.512 5.175 ( -9.620 -4.860 -1.159) 10.840 20.967 ( 0.185 1.190 -0.154) 1.214 20.970 ( -0.068 0.930 -0.329) 0.989 20.983 ( 0.339 0.156 0.002) 0.373 20.993 ( -0.644 0.552 0.216) 0.875 21.119 ( 0.276 -0.652 0.283) 0.763 21.124 ( -0.235 -0.601 0.390) 0.754 21.163 ( 0.714 -0.256 -0.116) 0.768 21.177 ( -0.630 -0.332 -0.190) 0.738 24.166 ( 0.541 -0.306 -0.116) 0.632 24.172 ( 0.101 -0.183 -0.220) 0.304 24.181 ( -0.015 -0.455 0.093) 0.465 24.187 ( -0.450 -0.424 -0.137) 0.634 32.149 ( -0.024 -0.047 -0.109) 0.121 32.151 ( -0.207 -0.077 -0.096) 0.241 32.198 ( 0.219 -0.537 0.349) 0.677 32.200 ( -0.015 -0.561 0.409) 0.695 41.329 ( 2.365 17.511 -3.565) 18.026 41.416 ( -7.022 22.567 -6.432) 24.494 41.850 ( 6.867 2.074 -3.518) 7.990 41.970 ( -5.691 2.407 -4.623) 7.717 42.253 ( 8.937 2.051 5.029) 10.458 42.422 ( -8.331 1.216 3.222) 9.014 43.231 ( 0.565 -11.702 4.392) 12.511 43.266 ( -3.085 -11.441 5.473) 13.053======================= Grid point 84 (33/80) =======================q-point: ( 0.00 0.33 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 128Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.213 ( 0.000 11.937 12.923) 17.592 1.263 ( 0.000 18.163 6.264) 19.213 1.840 ( 0.000 -6.274 6.046) 8.712 1.896 ( 0.000 3.250 0.094) 3.252 2.211 ( 0.000 4.252 8.611) 9.604 2.281 ( 0.000 12.107 -1.418) 12.189 2.518 ( 0.000 -1.026 1.237) 1.607 2.549 ( 0.000 2.717 -0.761) 2.822 2.578 ( 0.000 7.110 -0.365) 7.120 2.592 ( 0.000 0.443 3.396) 3.425 2.675 ( 0.000 0.777 -0.900) 1.189 2.837 ( 0.000 -0.319 3.757) 3.770 2.867 ( 0.000 6.893 -1.269) 7.009 2.919 ( 0.000 0.936 -2.784) 2.937 3.178 ( 0.000 -0.097 5.274) 5.275 3.242 ( 0.000 3.454 6.225) 7.119 3.293 ( 0.000 2.263 -5.032) 5.517 3.426 ( 0.000 9.085 2.101) 9.325 3.509 ( 0.000 3.048 2.606) 4.010 3.517 ( 0.000 1.716 -4.842) 5.137 3.672 ( 0.000 6.289 -1.306) 6.424 3.761 ( 0.000 6.121 -4.320) 7.492 3.897 ( 0.000 -3.467 -1.252) 3.687 3.973 ( 0.000 -4.644 -4.373) 6.379 3.976 ( 0.000 3.825 2.268) 4.447 4.105 ( 0.000 3.000 -0.366) 3.022 4.250 ( 0.000 5.667 0.238) 5.672 4.285 ( 0.000 -2.421 -3.332) 4.119 4.342 ( 0.000 1.621 1.568) 2.255 4.406 ( 0.000 -3.240 -2.825) 4.299 4.533 ( 0.000 -6.924 -0.692) 6.959 4.551 ( 0.000 -2.024 2.517) 3.230 4.767 ( 0.000 3.347 -1.274) 3.581 4.840 ( 0.000 -3.167 -5.939) 6.730 4.910 ( 0.000 -8.084 3.950) 8.997 5.433 ( 0.000 -15.578 1.967) 15.702 20.980 ( 0.000 0.834 0.008) 0.834 20.984 ( 0.000 1.062 0.064) 1.064 20.986 ( 0.000 0.352 -0.635) 0.726 21.021 ( 0.000 -0.199 0.503) 0.541 21.120 ( 0.000 0.114 0.209) 0.238 21.132 ( 0.000 -0.389 -0.049) 0.392 21.138 ( 0.000 0.412 -0.486) 0.637 21.175 ( 0.000 -0.837 -0.300) 0.889 24.135 ( 0.000 0.220 0.067) 0.230 24.153 ( 0.000 -0.326 -0.127) 0.349 24.187 ( 0.000 -0.128 0.023) 0.130 24.194 ( 0.000 -0.332 -0.161) 0.369 32.168 ( 0.000 0.110 0.105) 0.152 32.168 ( 0.000 -0.054 -0.101) 0.114 32.173 ( 0.000 -0.089 -0.030) 0.094 32.185 ( 0.000 -0.243 0.000) 0.243 41.515 ( 0.000 4.655 -3.575) 5.869 41.561 ( 0.000 2.360 -4.787) 5.338 41.974 ( 0.000 2.255 3.113) 3.844 42.091 ( 0.000 -2.397 -6.996) 7.395 42.310 ( 0.000 9.434 -20.169) 22.267 42.588 ( 0.000 2.051 -2.416) 3.169 43.138 ( 0.000 -5.932 9.307) 11.037 43.364 ( 0.000 -10.293 15.978) 19.006======================= Grid point 85 (34/80) =======================q-point: ( 0.14 0.33 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 221Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.287 ( 7.546 11.981 11.353) 18.149 1.355 ( 8.897 16.253 5.811) 19.418 1.875 ( 3.626 -4.488 4.934) 7.592 1.977 ( 7.768 2.110 0.917) 8.102 2.155 ( -4.642 4.582 8.150) 10.439 2.291 ( 0.085 10.403 -1.958) 10.586 2.482 ( -2.145 3.602 5.128) 6.624 2.530 ( -0.851 0.956 1.039) 1.648 2.570 ( -1.072 5.964 -2.293) 6.479 2.653 ( 2.644 0.721 3.373) 4.347 2.695 ( 0.163 1.846 0.371) 1.890 2.824 ( 2.899 -1.419 -3.169) 4.524 2.890 ( 2.317 3.567 -1.885) 4.652 2.967 ( 3.280 0.777 0.095) 3.372 3.165 ( -1.601 -4.494 4.764) 6.742 3.244 ( 0.602 9.710 5.435) 11.144 3.306 ( 0.440 1.083 -4.134) 4.296 3.377 ( -3.108 9.631 2.516) 10.428 3.515 ( 1.221 4.596 0.838) 4.828 3.550 ( 2.389 1.225 -3.036) 4.053 3.673 ( -0.996 3.790 0.257) 3.927 3.784 ( 1.961 8.010 -4.826) 9.555 3.907 ( 1.150 -2.732 -1.128) 3.172 3.947 ( -2.224 0.719 0.659) 2.428 3.981 ( 0.270 -2.802 -2.762) 3.944 4.062 ( -3.847 2.199 -0.658) 4.480 4.212 ( -2.373 1.312 -1.350) 3.029 4.281 ( -3.806 1.178 -0.439) 4.008 4.340 ( 2.337 1.423 -0.847) 2.865 4.437 ( 2.258 -2.523 -1.218) 3.599 4.541 ( 1.026 -5.478 -0.313) 5.582 4.568 ( 1.634 -2.434 1.863) 3.474 4.766 ( -0.550 1.023 -2.908) 3.132 4.835 ( -0.148 -2.527 -4.048) 4.774 4.891 ( -1.934 -7.660 3.396) 8.599 5.371 ( -6.226 -14.125 2.069) 15.574 20.981 ( 0.167 0.781 -0.007) 0.799 20.985 ( -0.061 0.573 -0.321) 0.660 20.985 ( 0.021 0.836 -0.264) 0.877 21.019 ( -0.202 -0.148 0.494) 0.554 21.118 ( -0.153 0.099 0.118) 0.217 21.132 ( -0.357 0.293 -0.225) 0.514 21.135 ( 0.216 -0.296 -0.046) 0.370 21.176 ( -0.005 -0.825 -0.280) 0.871 24.139 ( 0.435 0.123 0.034) 0.453 24.155 ( 0.213 -0.314 -0.127) 0.400 24.185 ( -0.179 -0.133 0.018) 0.223 24.192 ( -0.193 -0.335 -0.159) 0.418 32.161 ( -0.424 0.148 -0.109) 0.463 32.165 ( -0.307 0.178 0.039) 0.357 32.178 ( 0.328 -0.311 -0.017) 0.452 32.187 ( 0.098 -0.343 0.138) 0.382 41.504 ( 0.180 6.291 -4.369) 7.661 41.626 ( 5.362 1.555 -4.305) 7.050 41.982 ( -0.016 2.995 -1.090) 3.187 42.091 ( 0.249 -1.028 -5.461) 5.563 42.260 ( -4.306 10.615 -14.616) 18.570 42.589 ( -0.204 1.234 -2.346) 2.659 43.109 ( -2.975 -6.903 8.958) 11.694 43.290 ( -6.984 -9.501 15.168) 19.212======================= Grid point 86 (35/80) =======================q-point: ( 0.29 0.33 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 221Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.474 ( 11.262 11.440 9.149) 18.477 1.566 ( 12.519 13.108 4.325) 18.635 1.950 ( 2.413 1.851 4.539) 5.463 2.060 ( -4.593 3.213 6.511) 8.591 2.159 ( 10.325 1.324 0.439) 10.419 2.270 ( -1.711 5.538 -0.062) 5.796 2.461 ( -1.153 1.163 6.247) 6.458 2.503 ( -4.100 7.675 -1.203) 8.785 2.542 ( 1.797 0.334 -0.422) 1.876 2.654 ( -1.608 3.254 1.971) 4.130 2.687 ( -0.444 2.339 1.738) 2.948 2.930 ( 2.016 -3.534 -3.060) 5.091 2.943 ( 4.523 3.850 -2.638) 6.500 3.031 ( 3.877 -1.075 1.021) 4.150 3.137 ( 0.708 -5.155 2.777) 5.898 3.260 ( -0.015 10.702 2.394) 10.967 3.272 ( -2.358 9.281 1.865) 9.756 3.365 ( 0.613 2.903 0.068) 2.967 3.549 ( 1.899 5.815 1.777) 6.370 3.597 ( 2.536 2.553 -3.377) 4.935 3.635 ( -2.447 1.629 -0.211) 2.947 3.786 ( -2.504 8.291 -0.803) 8.698 3.884 ( -2.057 -0.335 -0.408) 2.124 3.938 ( -3.354 -1.341 0.558) 3.655 3.985 ( 2.820 -6.047 -3.651) 7.606 4.022 ( 1.251 3.300 -3.037) 4.656 4.159 ( -3.641 -0.509 -2.921) 4.696 4.206 ( -3.126 3.436 0.277) 4.654 4.384 ( 2.418 0.614 -0.627) 2.572 4.485 ( 2.504 -5.261 -0.125) 5.828 4.571 ( 1.819 -3.757 -0.043) 4.174 4.607 ( 2.361 -1.709 0.607) 2.977 4.736 ( -2.214 -1.396 -4.161) 4.916 4.831 ( -2.403 -4.669 2.398) 5.773 4.857 ( 0.669 -4.516 -1.488) 4.802 5.218 ( -9.284 -10.990 1.958) 14.519 20.982 ( -0.085 0.367 -0.421) 0.565 20.985 ( 0.058 0.676 -0.098) 0.686 20.987 ( 0.290 1.016 -0.097) 1.061 21.013 ( -0.368 0.062 0.386) 0.537 21.114 ( -0.210 0.151 0.042) 0.262 21.124 ( -0.433 0.211 0.168) 0.510 21.143 ( 0.563 -0.498 0.015) 0.752 21.174 ( -0.230 -0.782 -0.217) 0.843 24.150 ( 0.632 -0.049 -0.025) 0.634 24.161 ( 0.378 -0.284 -0.135) 0.492 24.180 ( -0.332 -0.153 0.009) 0.366 24.187 ( -0.365 -0.339 -0.151) 0.520 32.154 ( -0.264 0.273 -0.117) 0.398 32.158 ( -0.340 0.279 -0.047) 0.443 32.183 ( 0.196 -0.492 0.089) 0.537 32.188 ( 0.056 -0.525 0.280) 0.597 41.536 ( 3.283 9.210 -5.425) 11.182 41.746 ( 6.952 0.878 -4.448) 8.300 41.924 ( -6.316 8.987 -10.264) 15.034 42.090 ( -2.095 -0.276 -8.009) 8.283 42.220 ( 2.453 9.514 2.774) 10.210 42.566 ( -2.569 1.756 0.611) 3.171 43.035 ( -4.203 -9.677 8.192) 13.358 43.145 ( -7.178 -9.575 11.284) 16.448======================= Grid point 87 (36/80) =======================q-point: ( 0.43 0.33 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 221Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.685 ( 10.484 10.744 7.521) 16.790 1.791 ( 8.116 9.963 5.994) 14.180 1.893 ( -4.279 10.332 3.840) 11.824 1.995 ( -5.527 6.770 2.331) 9.046 2.258 ( 3.357 -1.189 1.910) 4.041 2.351 ( 2.019 1.546 -1.833) 3.134 2.367 ( -0.331 -4.062 4.372) 5.977 2.473 ( -3.258 1.538 0.055) 3.603 2.576 ( 2.374 2.066 -0.146) 3.150 2.635 ( -2.465 5.703 -1.735) 6.451 2.709 ( 5.691 3.490 5.417) 8.597 2.852 ( -7.511 0.034 3.278) 8.195 3.036 ( 4.188 1.757 -0.878) 4.626 3.082 ( 0.341 -2.001 0.684) 2.142 3.218 ( 1.805 0.945 1.704) 2.656 3.231 ( 1.147 6.423 -0.147) 6.526 3.268 ( 2.305 10.232 0.474) 10.499 3.353 ( -2.663 2.845 -1.203) 4.079 3.569 ( 0.265 2.664 1.324) 2.986 3.587 ( -1.903 2.391 0.127) 3.058 3.653 ( 3.002 6.065 -0.933) 6.832 3.716 ( -3.720 6.920 0.573) 7.877 3.863 ( -0.384 -2.083 0.398) 2.156 3.875 ( -2.010 -3.704 -0.804) 4.290 4.028 ( 2.036 -2.354 -4.404) 5.393 4.074 ( -0.902 -0.882 -1.758) 2.164 4.099 ( 1.375 3.234 -3.720) 5.117 4.156 ( -2.717 5.241 -1.410) 6.070 4.442 ( 3.574 -3.732 -0.538) 5.196 4.500 ( -1.645 -6.899 -0.038) 7.092 4.607 ( 2.322 -3.228 -0.390) 3.995 4.640 ( -0.007 -2.393 -1.426) 2.786 4.713 ( 0.898 -1.084 -0.452) 1.478 4.765 ( -3.642 -2.552 1.589) 4.723 4.913 ( 4.979 -5.903 -0.666) 7.751 5.044 ( -8.499 -8.119 0.983) 11.795 20.982 ( 0.047 0.473 -0.300) 0.562 20.984 ( -0.109 0.618 -0.189) 0.656 20.995 ( 0.501 0.758 -0.042) 0.910 21.005 ( -0.497 0.435 0.144) 0.676 21.113 ( 0.069 0.089 0.219) 0.246 21.117 ( -0.323 0.032 0.331) 0.464 21.155 ( 0.648 -0.612 -0.037) 0.892 21.166 ( -0.505 -0.709 -0.127) 0.880 24.161 ( 0.586 -0.133 -0.061) 0.604 24.168 ( 0.266 -0.191 -0.177) 0.372 24.173 ( -0.254 -0.262 0.020) 0.366 24.179 ( -0.469 -0.340 -0.128) 0.593 32.152 ( -0.028 0.323 -0.108) 0.341 32.153 ( -0.198 0.323 -0.088) 0.389 32.186 ( 0.132 -0.608 0.219) 0.659 32.188 ( -0.054 -0.632 0.291) 0.697 41.628 ( 6.381 11.944 -7.243) 15.357 41.771 ( -8.149 12.465 -9.627) 17.733 41.886 ( 6.907 1.354 -5.702) 9.059 42.009 ( -5.706 1.073 -7.195) 9.246 42.332 ( 7.746 6.413 7.324) 12.440 42.477 ( -6.788 4.634 5.573) 9.930 42.989 ( 0.057 -12.297 6.315) 13.824 43.035 ( -4.400 -11.476 7.042) 14.165======================= Grid point 91 (37/80) =======================q-point: ( 0.00 0.44 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 128Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.431 ( 0.000 10.324 10.200) 14.513 1.563 ( 0.000 6.493 3.988) 7.620 1.701 ( 0.000 -1.761 9.163) 9.331 1.858 ( 0.000 -7.290 2.462) 7.695 2.296 ( 0.000 4.229 6.936) 8.124 2.365 ( 0.000 -1.849 3.743) 4.174 2.479 ( 0.000 1.404 0.215) 1.421 2.542 ( 0.000 -3.395 -2.036) 3.959 2.679 ( 0.000 4.228 3.822) 5.700 2.683 ( 0.000 3.993 4.113) 5.733 2.758 ( 0.000 5.933 -1.359) 6.087 2.865 ( 0.000 3.306 1.383) 3.584 2.880 ( 0.000 -4.918 -2.877) 5.697 2.957 ( 0.000 -2.770 -0.182) 2.776 3.070 ( 0.000 2.902 -2.968) 4.151 3.224 ( 0.000 -7.760 -4.037) 8.747 3.523 ( 0.000 8.759 3.006) 9.261 3.537 ( 0.000 0.512 -4.039) 4.072 3.553 ( 0.000 8.056 -3.671) 8.853 3.623 ( 0.000 9.396 1.658) 9.541 3.709 ( 0.000 -1.347 -2.178) 2.561 3.798 ( 0.000 -6.394 -0.133) 6.395 3.851 ( 0.000 -2.352 1.741) 2.927 3.859 ( 0.000 -4.619 -0.253) 4.625 4.107 ( 0.000 9.405 1.013) 9.459 4.167 ( 0.000 3.149 -5.537) 6.370 4.260 ( 0.000 -1.747 -5.245) 5.528 4.327 ( 0.000 -5.270 0.903) 5.347 4.393 ( 0.000 0.436 -1.172) 1.251 4.395 ( 0.000 2.364 -5.901) 6.357 4.465 ( 0.000 8.103 2.668) 8.530 4.547 ( 0.000 2.494 1.698) 3.017 4.712 ( 0.000 -8.890 2.652) 9.278 4.739 ( 0.000 -7.108 -6.649) 9.734 4.893 ( 0.000 7.964 5.424) 9.636 5.120 ( 0.000 -14.741 6.415) 16.077 20.992 ( 0.000 0.346 -0.185) 0.392 20.993 ( 0.000 0.222 -0.440) 0.493 21.003 ( 0.000 0.766 0.169) 0.785 21.014 ( 0.000 -0.444 0.335) 0.556 21.121 ( 0.000 0.092 0.189) 0.210 21.125 ( 0.000 -0.294 0.066) 0.301 21.147 ( 0.000 0.549 -0.367) 0.661 21.160 ( 0.000 -0.701 -0.311) 0.767 24.140 ( 0.000 0.295 0.005) 0.295 24.146 ( 0.000 -0.337 -0.060) 0.342 24.186 ( 0.000 0.054 -0.102) 0.116 24.189 ( 0.000 -0.217 -0.153) 0.265 32.169 ( 0.000 0.059 -0.060) 0.084 32.170 ( 0.000 -0.036 -0.012) 0.038 32.173 ( 0.000 0.245 0.069) 0.255 32.179 ( 0.000 -0.345 0.056) 0.350 41.583 ( 0.000 1.982 -4.756) 5.153 41.593 ( 0.000 0.729 -5.697) 5.744 42.008 ( 0.000 1.404 0.802) 1.617 42.041 ( 0.000 -2.183 -3.368) 4.013 42.468 ( 0.000 6.970 -12.386) 14.213 42.579 ( 0.000 -3.490 -7.387) 8.170 43.095 ( 0.000 1.984 12.077) 12.239 43.193 ( 0.000 -7.100 13.410) 15.173======================= Grid point 92 (38/80) =======================q-point: ( 0.14 0.44 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 221Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.503 ( 7.267 10.117 9.330) 15.563 1.633 ( 6.959 6.516 4.114) 10.383 1.752 ( 5.199 -1.961 8.301) 9.988 1.912 ( 5.337 -8.060 3.332) 10.225 2.276 ( -1.711 6.315 5.875) 8.794 2.369 ( -0.387 -1.963 2.762) 3.410 2.492 ( 1.532 2.360 -0.174) 2.819 2.554 ( -0.993 -0.951 0.106) 1.379 2.658 ( 0.239 1.148 2.582) 2.836 2.674 ( -1.533 0.386 4.360) 4.637 2.764 ( 0.429 5.555 -1.326) 5.727 2.812 ( -2.159 1.599 -2.831) 3.903 2.928 ( 2.479 -2.279 0.612) 3.422 2.976 ( 1.664 -4.881 1.560) 5.388 3.071 ( 0.340 5.909 -4.114) 7.208 3.234 ( 0.926 -7.302 -4.213) 8.480 3.535 ( 1.083 9.436 3.234) 10.033 3.559 ( 1.876 0.597 -3.399) 3.928 3.586 ( 2.240 7.289 -4.291) 8.750 3.593 ( -1.559 10.056 1.534) 10.291 3.708 ( -0.387 -0.065 -0.941) 1.019 3.777 ( -1.746 -7.032 -0.257) 7.250 3.833 ( -1.705 -3.938 0.148) 4.294 3.891 ( 3.417 -5.112 1.501) 6.329 4.103 ( -1.083 8.253 -1.332) 8.429 4.122 ( -4.716 3.875 -3.742) 7.159 4.218 ( -3.009 0.746 -1.331) 3.374 4.306 ( -2.008 -1.236 -1.704) 2.909 4.378 ( -0.205 -2.419 -1.772) 3.005 4.427 ( 1.928 -2.595 -1.477) 3.554 4.495 ( 2.088 9.974 -1.528) 10.304 4.564 ( 1.695 2.721 2.322) 3.958 4.702 ( -1.383 -7.445 0.903) 7.626 4.725 ( -0.889 -8.288 -5.240) 9.845 4.879 ( -1.432 6.792 4.767) 8.421 5.083 ( -3.714 -13.571 6.100) 15.335 20.991 ( -0.043 0.321 -0.308) 0.447 20.993 ( 0.050 0.243 -0.308) 0.395 21.003 ( 0.004 0.702 0.128) 0.714 21.013 ( -0.115 -0.394 0.328) 0.525 21.120 ( -0.080 0.175 0.186) 0.267 21.126 ( 0.147 -0.407 0.093) 0.443 21.144 ( -0.303 0.685 -0.283) 0.801 21.159 ( -0.078 -0.798 -0.273) 0.847 24.143 ( 0.309 0.249 -0.007) 0.397 24.149 ( 0.245 -0.314 -0.065) 0.404 24.184 ( -0.189 0.050 -0.100) 0.219 24.187 ( -0.194 -0.216 -0.149) 0.326 32.166 ( -0.199 0.290 -0.063) 0.358 32.170 ( -0.125 0.237 0.070) 0.277 32.172 ( 0.017 -0.196 -0.026) 0.199 32.179 ( -0.056 -0.419 0.102) 0.435 41.600 ( 2.412 3.399 -5.637) 7.010 41.638 ( 4.106 -0.507 -5.507) 6.888 42.024 ( 1.271 1.606 -1.157) 2.353 42.057 ( 1.328 -1.863 -3.894) 4.516 42.443 ( -2.250 7.975 -9.684) 12.745 42.568 ( -0.865 -4.035 -5.872) 7.177 43.047 ( -4.991 1.139 11.877) 12.933 43.131 ( -6.139 -6.527 13.123) 15.890======================= Grid point 93 (39/80) =======================q-point: ( 0.29 0.44 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 221Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.681 ( 10.710 9.512 7.516) 16.176 1.803 ( 10.218 6.724 4.425) 13.008 1.883 ( 8.096 -2.386 6.473) 10.637 2.033 ( 6.224 -7.337 5.724) 11.195 2.234 ( -2.286 6.303 2.650) 7.209 2.337 ( -2.999 -1.812 1.012) 3.647 2.464 ( -7.300 2.664 3.577) 8.555 2.524 ( -0.319 -0.104 -0.072) 0.343 2.625 ( -1.128 2.949 2.563) 4.066 2.703 ( 2.496 0.486 1.606) 3.007 2.769 ( -0.170 4.087 -1.638) 4.406 2.819 ( 2.067 -3.897 -4.276) 6.144 2.983 ( 3.455 -2.109 1.706) 4.393 3.008 ( 2.470 -5.280 3.651) 6.878 3.089 ( 1.251 8.009 -4.495) 9.269 3.245 ( -0.207 -6.424 -4.187) 7.671 3.542 ( -1.163 9.358 1.430) 9.537 3.550 ( -1.024 11.501 1.612) 11.659 3.594 ( 1.226 1.419 -2.056) 2.783 3.647 ( 1.974 2.443 -2.980) 4.329 3.693 ( -0.567 -0.077 -0.606) 0.834 3.768 ( 1.241 -7.542 -0.579) 7.665 3.797 ( -1.316 1.598 2.195) 3.017 3.967 ( 1.155 -6.636 -1.325) 6.864 4.018 ( -3.092 4.367 -1.322) 5.512 4.059 ( -1.983 1.816 -2.117) 3.423 4.160 ( -3.524 4.716 1.480) 6.071 4.271 ( -1.716 0.703 -1.721) 2.530 4.382 ( 0.694 -1.923 -1.428) 2.493 4.469 ( 2.340 -5.744 -0.141) 6.204 4.501 ( -1.596 8.668 -2.232) 9.092 4.611 ( 2.054 2.335 0.524) 3.154 4.659 ( -1.656 -5.669 -1.981) 6.229 4.728 ( 1.250 -6.769 -1.765) 7.106 4.842 ( -2.374 3.955 3.127) 5.573 4.989 ( -5.766 -10.634 4.971) 13.078 20.991 ( 0.012 0.428 -0.287) 0.515 20.995 ( 0.147 0.181 -0.222) 0.322 21.002 ( -0.080 0.514 -0.002) 0.520 21.010 ( -0.189 -0.309 0.241) 0.435 21.119 ( -0.004 0.428 0.207) 0.475 21.131 ( 0.323 -0.615 0.092) 0.700 21.137 ( -0.437 0.837 -0.065) 0.946 21.156 ( -0.277 -0.966 -0.171) 1.020 24.151 ( 0.503 0.151 -0.036) 0.526 24.155 ( 0.423 -0.262 -0.079) 0.504 24.179 ( -0.356 0.040 -0.093) 0.370 24.182 ( -0.363 -0.212 -0.137) 0.442 32.162 ( -0.137 0.497 -0.059) 0.519 32.166 ( -0.232 0.493 0.040) 0.547 32.173 ( 0.028 -0.543 0.013) 0.544 32.177 ( -0.103 -0.565 0.152) 0.594 41.676 ( 5.453 5.025 -6.971) 10.178 41.741 ( 6.466 -1.616 -6.290) 9.165 42.027 ( -1.800 2.897 -6.606) 7.435 42.068 ( -0.995 -1.587 -7.030) 7.275 42.419 ( 1.024 9.520 -0.628) 9.595 42.563 ( 0.842 -3.802 -0.887) 3.994 42.915 ( -8.481 -0.944 11.341) 14.192 42.984 ( -8.678 -6.515 11.489) 15.804======================= Grid point 94 (40/80) =======================q-point: ( 0.43 0.44 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 221Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.881 ( 9.661 8.778 6.127) 14.419 1.981 ( 5.297 7.685 6.901) 11.608 2.028 ( 5.697 -3.099 4.958) 8.164 2.062 ( -1.941 4.623 3.823) 6.305 2.254 ( 0.515 -4.183 3.952) 5.778 2.277 ( 0.206 0.643 0.216) 0.709 2.317 ( -4.982 -0.201 1.293) 5.151 2.428 ( -7.665 -5.649 2.177) 9.768 2.677 ( 4.337 6.987 -1.340) 8.332 2.746 ( -2.434 4.924 -1.991) 5.842 2.760 ( 3.418 0.472 1.825) 3.904 2.819 ( -2.187 -2.974 -0.306) 3.705 3.047 ( 3.264 -0.418 1.081) 3.464 3.088 ( 0.549 2.534 -1.372) 2.934 3.112 ( 4.940 -4.288 -0.014) 6.542 3.212 ( -3.674 -6.332 -2.890) 7.871 3.523 ( -0.549 10.324 0.153) 10.340 3.528 ( -0.868 9.716 0.216) 9.757 3.610 ( 0.846 1.084 -1.025) 1.715 3.639 ( -2.124 0.135 -0.124) 2.132 3.711 ( 2.740 -0.645 -0.459) 2.852 3.775 ( -2.770 5.576 2.083) 6.565 3.814 ( 3.555 -5.651 -1.668) 6.881 3.891 ( -4.393 -1.364 -2.087) 5.051 4.011 ( 1.683 3.220 -1.927) 4.113 4.080 ( -4.336 6.662 0.042) 7.949 4.130 ( 5.746 -4.737 1.224) 7.546 4.224 ( -3.655 -2.831 -0.115) 4.625 4.406 ( 1.837 1.761 -1.453) 2.930 4.451 ( -2.867 5.501 -1.649) 6.419 4.517 ( 2.641 -6.013 -0.977) 6.640 4.574 ( -3.352 -5.076 -2.194) 6.466 4.706 ( 3.914 1.713 0.811) 4.349 4.759 ( 0.101 0.402 0.859) 0.954 4.805 ( 0.344 -3.319 0.645) 3.399 4.878 ( -5.556 -7.482 2.744) 9.715 20.993 ( 0.165 0.563 -0.169) 0.611 20.996 ( -0.115 0.563 -0.085) 0.581 21.002 ( 0.150 -0.113 -0.148) 0.239 21.006 ( -0.245 -0.276 0.021) 0.370 21.121 ( 0.235 0.761 0.210) 0.823 21.128 ( -0.433 0.955 0.102) 1.053 21.139 ( 0.490 -0.943 0.079) 1.065 21.149 ( -0.465 -1.045 -0.039) 1.144 24.161 ( 0.547 0.074 -0.066) 0.556 24.164 ( 0.494 -0.206 -0.102) 0.545 24.171 ( -0.476 0.025 -0.078) 0.483 24.173 ( -0.475 -0.212 -0.117) 0.533 32.161 ( 0.008 0.595 -0.034) 0.596 32.163 ( -0.158 0.589 0.002) 0.610 32.174 ( 0.059 -0.664 0.084) 0.672 32.175 ( -0.103 -0.667 0.142) 0.690 41.800 ( 7.381 5.859 -8.817) 12.905 41.873 ( 6.885 -1.422 -7.672) 10.406 41.943 ( -6.285 4.491 -10.003) 12.638 42.003 ( -5.560 -1.667 -8.897) 10.623 42.499 ( 6.618 9.577 7.138) 13.656 42.592 ( -0.094 4.875 6.077) 7.791 42.768 ( -4.212 -8.171 8.828) 12.745 42.825 ( -7.402 -9.322 8.627) 14.701======================= Grid point 126 (41/80) =======================q-point: ( 0.00 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.716 ( 0.000 0.000 15.834) 15.834 0.816 ( 0.000 0.000 18.342) 18.342 1.478 ( 0.000 0.000 -7.530) 7.530 1.578 ( 0.000 0.000 32.847) 32.847 1.665 ( 0.000 0.000 -6.708) 6.708 2.062 ( 0.000 0.000 3.453) 3.453 2.167 ( 0.000 0.000 2.184) 2.184 2.234 ( 0.000 0.000 0.277) 0.277 2.653 ( 0.000 0.000 4.576) 4.576 2.730 ( 0.000 0.000 -4.498) 4.498 2.796 ( 0.000 0.000 2.223) 2.223 2.809 ( 0.000 0.000 0.545) 0.545 2.886 ( 0.000 0.000 5.674) 5.674 2.892 ( 0.000 0.000 -2.437) 2.437 2.957 ( 0.000 0.000 -1.166) 1.166 3.002 ( 0.000 0.000 7.140) 7.140 3.301 ( 0.000 0.000 3.180) 3.180 3.302 ( 0.000 0.000 -1.445) 1.445 3.358 ( 0.000 0.000 -0.740) 0.740 3.392 ( 0.000 0.000 -9.829) 9.829 3.562 ( 0.000 0.000 7.216) 7.216 3.641 ( 0.000 0.000 4.668) 4.668 3.829 ( 0.000 0.000 3.346) 3.346 3.973 ( 0.000 0.000 5.054) 5.054 4.074 ( 0.000 0.000 -1.945) 1.945 4.179 ( 0.000 0.000 0.926) 0.926 4.358 ( 0.000 0.000 2.184) 2.184 4.492 ( 0.000 0.000 -10.192) 10.192 4.540 ( 0.000 0.000 -11.146) 11.146 4.542 ( 0.000 0.000 -0.893) 0.893 4.570 ( 0.000 0.000 2.478) 2.478 4.681 ( 0.000 0.000 0.199) 0.199 4.805 ( 0.000 0.000 2.265) 2.265 4.837 ( 0.000 0.000 -0.634) 0.634 5.026 ( 0.000 0.000 -3.616) 3.616 5.486 ( 0.000 0.000 -12.918) 12.918 20.939 ( 0.000 0.000 0.413) 0.413 20.951 ( 0.000 0.000 0.398) 0.398 20.972 ( 0.000 0.000 -0.483) 0.483 20.981 ( 0.000 0.000 -0.401) 0.401 21.132 ( 0.000 0.000 0.364) 0.364 21.141 ( 0.000 0.000 0.291) 0.291 21.145 ( 0.000 0.000 -0.170) 0.170 21.192 ( 0.000 0.000 -0.919) 0.919 24.134 ( 0.000 0.000 0.315) 0.315 24.159 ( 0.000 0.000 -0.359) 0.359 24.207 ( 0.000 0.000 -0.103) 0.103 24.217 ( 0.000 0.000 -0.365) 0.365 32.173 ( 0.000 0.000 0.177) 0.177 32.174 ( 0.000 0.000 -0.113) 0.113 32.178 ( 0.000 0.000 -0.027) 0.027 32.191 ( 0.000 0.000 -0.124) 0.124 40.613 ( 0.000 0.000 7.188) 7.188 41.154 ( 0.000 0.000 -7.354) 7.354 41.519 ( 0.000 0.000 6.064) 6.064 41.971 ( 0.000 0.000 -6.098) 6.098 41.990 ( 0.000 0.000 5.708) 5.708 42.411 ( 0.000 0.000 -6.941) 6.941 43.686 ( 0.000 0.000 10.398) 10.398 44.252 ( 0.000 0.000 -6.110) 6.110======================= Grid point 127 (42/80) =======================q-point: ( 0.14 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.806 ( 8.837 0.000 13.651) 16.262 0.983 ( 15.371 0.000 15.100) 21.547 1.502 ( 2.415 0.000 -7.262) 7.653 1.664 ( 8.793 0.000 29.661) 30.936 1.737 ( 7.225 0.000 -5.434) 9.041 2.095 ( -6.577 0.000 3.371) 7.390 2.107 ( 3.114 0.000 4.188) 5.218 2.216 ( -2.483 0.000 -0.438) 2.521 2.669 ( 1.454 0.000 4.279) 4.519 2.700 ( -5.900 0.000 1.056) 5.994 2.752 ( 0.789 0.000 2.042) 2.189 2.800 ( -0.806 0.000 0.879) 1.192 2.899 ( 1.063 0.000 3.099) 3.276 2.901 ( 0.838 0.000 -2.275) 2.424 2.958 ( 0.060 0.000 -1.143) 1.145 3.081 ( 5.235 0.000 1.645) 5.487 3.303 ( 0.247 0.000 -3.474) 3.482 3.313 ( 1.057 0.000 -1.484) 1.822 3.357 ( -0.033 0.000 -0.741) 0.742 3.418 ( 2.448 0.000 -4.939) 5.512 3.468 ( -5.720 0.000 6.636) 8.761 3.698 ( 2.202 0.000 5.733) 6.141 3.788 ( -3.930 0.000 2.693) 4.764 3.949 ( -1.780 0.000 5.977) 6.236 4.070 ( 0.320 0.000 -0.450) 0.552 4.211 ( 1.794 0.000 -0.721) 1.933 4.367 ( 1.050 0.000 1.431) 1.775 4.429 ( -4.084 0.000 -8.393) 9.334 4.525 ( -0.727 0.000 -0.054) 0.729 4.596 ( 2.268 0.000 -12.328) 12.535 4.613 ( 2.989 0.000 1.453) 3.323 4.682 ( 0.499 0.000 0.213) 0.542 4.791 ( -0.343 0.000 1.727) 1.761 4.819 ( -1.888 0.000 -0.266) 1.907 5.012 ( -1.478 0.000 -3.414) 3.720 5.401 ( -7.720 0.000 -10.632) 13.139 20.939 ( 0.021 0.000 0.422) 0.422 20.949 ( -0.102 0.000 0.407) 0.420 20.973 ( 0.091 0.000 -0.488) 0.496 20.981 ( 0.003 0.000 -0.417) 0.417 21.131 ( 0.029 0.000 0.330) 0.332 21.141 ( 0.091 0.000 0.126) 0.155 21.154 ( 0.641 0.000 0.018) 0.642 21.192 ( -0.063 0.000 -0.850) 0.853 24.141 ( 0.705 0.000 0.072) 0.708 24.161 ( 0.206 0.000 -0.328) 0.387 24.205 ( -0.195 0.000 -0.120) 0.229 24.213 ( -0.397 0.000 -0.261) 0.475 32.160 ( -0.568 0.000 -0.070) 0.572 32.168 ( -0.417 0.000 -0.167) 0.449 32.195 ( 0.995 0.000 0.075) 0.998 32.202 ( 0.914 0.000 0.113) 0.921 40.634 ( 2.119 0.000 6.869) 7.189 41.108 ( -4.390 0.000 -4.779) 6.489 41.560 ( 3.881 0.000 3.608) 5.299 41.955 ( -1.713 0.000 -5.896) 6.140 42.034 ( 4.498 0.000 5.737) 7.290 42.441 ( 2.607 0.000 -6.732) 7.220 43.661 ( -2.504 0.000 9.135) 9.472 44.092 ( -14.493 0.000 -0.967) 14.526======================= Grid point 128 (43/80) =======================q-point: ( 0.29 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.020 ( 12.975 0.000 9.723) 16.213 1.312 ( 17.805 0.000 12.429) 21.714 1.550 ( 1.462 0.000 -5.769) 5.952 1.854 ( 7.556 0.000 7.553) 10.684 1.935 ( 14.375 0.000 13.660) 19.830 1.957 ( -6.635 0.000 4.409) 7.966 2.137 ( -5.663 0.000 -1.167) 5.782 2.140 ( 1.137 0.000 4.944) 5.073 2.561 ( -7.516 0.000 1.671) 7.699 2.701 ( 1.778 0.000 3.741) 4.142 2.776 ( -1.937 0.000 3.513) 4.012 2.782 ( -1.081 0.000 1.686) 2.003 2.920 ( 1.037 0.000 -1.936) 2.196 2.936 ( 3.682 0.000 -0.119) 3.684 2.958 ( -0.147 0.000 -1.136) 1.145 3.117 ( -1.417 0.000 0.602) 1.539 3.328 ( 2.452 0.000 -5.527) 6.047 3.336 ( 1.160 0.000 -1.444) 1.852 3.357 ( 0.022 0.000 -0.776) 0.777 3.397 ( -0.902 0.000 2.408) 2.571 3.483 ( 3.594 0.000 -2.243) 4.236 3.664 ( -5.533 0.000 8.842) 10.430 3.738 ( 0.019 0.000 0.325) 0.326 3.923 ( -1.158 0.000 6.120) 6.229 4.085 ( 0.730 0.000 0.568) 0.925 4.206 ( -2.811 0.000 -1.377) 3.130 4.364 ( -2.060 0.000 -7.224) 7.512 4.399 ( 2.263 0.000 -0.324) 2.286 4.516 ( -0.489 0.000 -0.978) 1.093 4.560 ( -5.360 0.000 -6.320) 8.287 4.647 ( 0.595 0.000 2.101) 2.184 4.728 ( 4.200 0.000 -0.237) 4.207 4.770 ( -3.069 0.000 0.815) 3.175 4.850 ( 6.121 0.000 -5.391) 8.156 4.970 ( -2.910 0.000 -2.841) 4.067 5.246 ( -7.822 0.000 -8.824) 11.792 20.940 ( 0.058 0.000 0.440) 0.444 20.947 ( -0.152 0.000 0.430) 0.456 20.975 ( 0.133 0.000 -0.498) 0.516 20.980 ( -0.024 0.000 -0.453) 0.454 21.135 ( 0.300 0.000 0.233) 0.380 21.144 ( 0.139 0.000 0.120) 0.184 21.165 ( 0.508 0.000 0.122) 0.522 21.188 ( -0.286 0.000 -0.566) 0.635 24.156 ( 0.808 0.000 -0.182) 0.828 24.166 ( 0.336 0.000 -0.250) 0.419 24.200 ( -0.341 0.000 -0.156) 0.375 24.204 ( -0.525 0.000 -0.154) 0.547 32.153 ( -0.193 0.000 -0.109) 0.222 32.161 ( -0.321 0.000 -0.282) 0.427 32.212 ( 0.730 0.000 0.347) 0.808 32.218 ( 0.665 0.000 0.306) 0.732 40.692 ( 3.975 0.000 5.916) 7.128 41.007 ( -5.970 0.000 -0.956) 6.046 41.649 ( 5.081 0.000 0.120) 5.082 41.908 ( -3.216 0.000 -5.268) 6.172 42.153 ( 7.774 0.000 5.563) 9.559 42.479 ( 0.614 0.000 -4.232) 4.277 43.603 ( -3.165 0.000 6.093) 6.866 43.807 ( -13.609 0.000 3.218) 13.984======================= Grid point 129 (44/80) =======================q-point: ( 0.43 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.274 ( 13.205 0.000 5.875) 14.453 1.491 ( -8.426 0.000 0.525) 8.442 1.625 ( 14.750 0.000 12.391) 19.264 1.849 ( -7.775 0.000 11.056) 13.516 1.913 ( 2.744 0.000 0.932) 2.898 2.015 ( -6.707 0.000 -1.234) 6.819 2.201 ( 8.819 0.000 -1.673) 8.976 2.241 ( 9.301 0.000 7.824) 12.154 2.447 ( -1.522 0.000 3.250) 3.588 2.625 ( -12.668 0.000 8.496) 15.254 2.733 ( 1.558 0.000 3.199) 3.559 2.760 ( -1.277 0.000 2.534) 2.837 2.938 ( 0.859 0.000 -1.564) 1.785 2.952 ( -0.509 0.000 -1.268) 1.366 3.020 ( 4.315 0.000 -0.387) 4.332 3.083 ( -2.080 0.000 -1.409) 2.512 3.352 ( 0.543 0.000 -1.204) 1.321 3.357 ( -0.054 0.000 -0.923) 0.925 3.370 ( 1.948 0.000 1.509) 2.464 3.401 ( -0.224 0.000 2.608) 2.618 3.539 ( 1.860 0.000 -2.295) 2.954 3.572 ( -2.965 0.000 0.329) 2.983 3.782 ( 4.858 0.000 3.456) 5.962 3.882 ( -3.977 0.000 4.737) 6.185 4.087 ( -0.007 0.000 0.378) 0.378 4.122 ( -4.220 0.000 -0.612) 4.265 4.372 ( 2.752 0.000 -5.862) 6.476 4.449 ( 2.805 0.000 -1.996) 3.443 4.451 ( -5.282 0.000 -4.699) 7.070 4.495 ( -1.854 0.000 -2.315) 2.966 4.664 ( 1.641 0.000 2.929) 3.357 4.710 ( -2.997 0.000 2.273) 3.762 4.817 ( 4.808 0.000 -1.046) 4.920 4.902 ( -4.125 0.000 -1.995) 4.582 4.980 ( 7.028 0.000 -8.391) 10.945 5.110 ( -6.760 0.000 -8.821) 11.114 20.942 ( 0.107 0.000 0.453) 0.466 20.944 ( -0.147 0.000 0.449) 0.473 20.978 ( 0.122 0.000 -0.502) 0.517 20.979 ( -0.075 0.000 -0.487) 0.493 21.141 ( 0.313 0.000 0.145) 0.345 21.145 ( -0.060 0.000 0.118) 0.132 21.174 ( 0.404 0.000 0.093) 0.414 21.181 ( -0.407 0.000 -0.174) 0.443 24.169 ( 0.488 0.000 -0.190) 0.524 24.172 ( 0.207 0.000 -0.169) 0.268 24.194 ( -0.234 0.000 -0.191) 0.302 24.195 ( -0.363 0.000 -0.195) 0.412 32.152 ( 0.107 0.000 -0.149) 0.184 32.156 ( -0.266 0.000 -0.230) 0.352 32.223 ( 0.392 0.000 0.495) 0.631 32.226 ( 0.100 0.000 0.473) 0.483 40.781 ( 5.351 0.000 4.326) 6.881 40.891 ( -6.081 0.000 2.068) 6.423 41.746 ( 5.024 0.000 -2.423) 5.577 41.835 ( -4.351 0.000 -4.151) 6.014 42.311 ( 8.304 0.000 4.310) 9.355 42.441 ( -4.753 0.000 0.678) 4.801 43.564 ( -0.247 0.000 3.179) 3.189 43.616 ( -6.216 0.000 2.648) 6.756======================= Grid point 133 (45/80) =======================q-point: ( 0.00 0.11 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 128Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.895 ( 0.000 8.419 16.329) 18.371 0.929 ( 0.000 17.582 13.834) 22.372 1.654 ( 0.000 15.378 -6.354) 16.639 1.676 ( 0.000 5.987 7.406) 9.523 1.700 ( 0.000 7.152 11.346) 13.412 2.062 ( 0.000 1.019 4.406) 4.522 2.283 ( 0.000 10.409 4.123) 11.196 2.304 ( 0.000 5.539 0.089) 5.539 2.640 ( 0.000 -1.303 4.707) 4.884 2.725 ( 0.000 0.635 -1.760) 1.871 2.758 ( 0.000 -2.490 1.005) 2.685 2.799 ( 0.000 -1.810 1.031) 2.083 2.916 ( 0.000 2.811 5.776) 6.424 2.945 ( 0.000 3.227 -1.384) 3.512 3.010 ( 0.000 2.736 -0.415) 2.767 3.019 ( 0.000 2.051 5.885) 6.232 3.225 ( 0.000 -0.716 1.670) 1.817 3.333 ( 0.000 0.758 -2.376) 2.494 3.368 ( 0.000 2.094 -1.561) 2.612 3.439 ( 0.000 3.407 -7.787) 8.500 3.613 ( 0.000 -3.187 4.878) 5.827 3.618 ( 0.000 3.834 6.668) 7.691 3.893 ( 0.000 6.045 4.118) 7.314 3.960 ( 0.000 -1.350 3.853) 4.082 4.038 ( 0.000 -3.341 -2.228) 4.016 4.123 ( 0.000 -6.594 -0.157) 6.596 4.317 ( 0.000 -9.599 -2.085) 9.823 4.360 ( 0.000 0.007 2.387) 2.387 4.520 ( 0.000 -1.363 -5.291) 5.463 4.562 ( 0.000 -4.517 1.227) 4.681 4.570 ( 0.000 -0.377 -3.514) 3.534 4.609 ( 0.000 -2.549 -4.204) 4.917 4.713 ( 0.000 -6.627 -0.892) 6.686 4.801 ( 0.000 -1.622 -4.178) 4.482 5.078 ( 0.000 3.037 0.533) 3.083 5.585 ( 0.000 4.922 -12.024) 12.993 20.945 ( 0.000 0.588 0.322) 0.670 20.956 ( 0.000 0.548 0.403) 0.680 20.972 ( 0.000 -0.121 -0.450) 0.466 20.995 ( 0.000 1.385 -0.699) 1.551 21.128 ( 0.000 -0.999 0.555) 1.143 21.133 ( 0.000 0.082 0.307) 0.318 21.142 ( 0.000 -0.282 -0.207) 0.350 21.189 ( 0.000 -0.277 -0.836) 0.880 24.134 ( 0.000 0.025 0.292) 0.293 24.157 ( 0.000 -0.134 -0.337) 0.363 24.204 ( 0.000 -0.257 -0.126) 0.286 24.208 ( 0.000 -0.702 -0.075) 0.706 32.172 ( 0.000 -0.178 -0.073) 0.192 32.172 ( 0.000 -0.092 0.126) 0.156 32.177 ( 0.000 -0.130 -0.026) 0.132 32.189 ( 0.000 -0.125 -0.113) 0.168 40.931 ( 0.000 25.879 -6.017) 26.569 41.204 ( 0.000 4.723 -6.497) 8.032 41.523 ( 0.000 0.523 4.431) 4.462 41.962 ( 0.000 -0.995 -7.428) 7.494 42.026 ( 0.000 3.436 6.647) 7.483 42.435 ( 0.000 2.395 -5.493) 5.993 43.627 ( 0.000 -5.656 10.253) 11.710 44.117 ( 0.000 -12.152 -1.709) 12.272======================= Grid point 134 (46/80) =======================q-point: ( 0.14 0.11 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 221Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.976 ( 7.562 12.933 12.085) 19.248 1.058 ( 12.700 9.418 14.198) 21.250 1.672 ( 1.913 14.341 -5.758) 15.572 1.743 ( 6.655 4.803 2.770) 8.662 1.790 ( 8.833 8.208 14.688) 19.003 2.103 ( 2.930 1.247 4.654) 5.639 2.186 ( -7.650 7.474 4.409) 11.569 2.314 ( -0.804 8.342 0.449) 8.393 2.651 ( 0.904 -1.205 3.978) 4.253 2.700 ( -4.665 -0.292 1.824) 5.017 2.740 ( 1.362 -0.331 0.597) 1.524 2.841 ( 3.082 0.225 -0.413) 3.117 2.879 ( -2.413 2.047 5.337) 6.205 2.936 ( -0.249 2.124 -1.587) 2.663 3.012 ( 0.301 3.519 -0.499) 3.567 3.087 ( 4.753 0.773 3.189) 5.775 3.252 ( 1.887 -2.565 -0.125) 3.187 3.336 ( -2.464 1.762 -4.999) 5.845 3.350 ( 2.073 2.934 -1.433) 3.867 3.462 ( 1.960 2.726 -4.190) 5.370 3.524 ( -4.766 2.832 5.958) 8.139 3.678 ( 1.641 -1.604 5.528) 5.985 3.850 ( -3.904 4.748 2.340) 6.578 3.947 ( -1.297 0.367 5.097) 5.273 4.035 ( 0.517 -3.261 -0.955) 3.437 4.175 ( 3.369 -4.535 -1.671) 5.891 4.299 ( -1.351 -11.247 -1.978) 11.499 4.369 ( 0.740 -0.163 1.347) 1.545 4.435 ( -6.159 -6.244 -4.594) 9.901 4.552 ( -0.099 0.780 -0.576) 0.975 4.607 ( 3.585 -3.082 0.628) 4.770 4.666 ( 2.385 -1.273 -6.387) 6.935 4.711 ( -0.092 -5.842 -0.942) 5.918 4.811 ( 1.572 -0.942 -4.302) 4.676 5.054 ( -2.416 2.561 0.334) 3.536 5.496 ( -8.504 5.136 -9.936) 14.050 20.946 ( 0.045 0.607 0.326) 0.691 20.956 ( -0.057 0.557 0.339) 0.654 20.973 ( 0.085 -0.105 -0.429) 0.450 20.993 ( -0.250 1.204 -0.588) 1.363 21.130 ( 0.189 -0.717 0.544) 0.919 21.134 ( 0.139 -0.039 0.213) 0.258 21.148 ( 0.486 -0.474 -0.098) 0.686 21.188 ( -0.103 -0.290 -0.787) 0.845 24.141 ( 0.637 -0.052 0.108) 0.648 24.159 ( 0.207 -0.133 -0.310) 0.396 24.202 ( -0.202 -0.265 -0.131) 0.358 24.205 ( -0.294 -0.622 -0.057) 0.690 32.159 ( -0.580 -0.085 -0.077) 0.591 32.166 ( -0.495 -0.200 -0.132) 0.550 32.192 ( 0.915 -0.299 0.133) 0.972 32.200 ( 0.832 -0.194 0.094) 0.860 40.920 ( -0.829 23.862 -3.758) 24.171 41.168 ( -3.420 5.807 -4.478) 8.091 41.564 ( 3.874 0.341 2.483) 4.614 41.949 ( -1.349 -0.602 -7.042) 7.196 42.065 ( 4.078 3.052 6.488) 8.248 42.458 ( 2.052 1.811 -5.402) 6.056 43.601 ( -2.570 -5.726 9.102) 11.056 43.982 ( -12.487 -10.127 1.519) 16.148======================= Grid point 135 (47/80) =======================q-point: ( 0.29 0.11 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 221Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.163 ( 11.686 12.106 8.658) 18.923 1.342 ( 15.763 4.545 11.475) 20.020 1.712 ( 1.435 13.100 -3.393) 13.608 1.888 ( 5.466 3.280 1.046) 6.459 1.966 ( 3.012 5.096 10.689) 12.218 2.074 ( 4.424 8.689 8.405) 12.873 2.122 ( -1.234 2.651 2.499) 3.846 2.288 ( -1.091 10.420 2.886) 10.867 2.570 ( -7.142 0.894 1.332) 7.320 2.680 ( 0.555 -2.004 3.649) 4.200 2.768 ( 0.677 -0.496 1.151) 1.424 2.840 ( -2.090 4.139 4.561) 6.504 2.905 ( 3.509 -0.089 0.006) 3.510 2.943 ( 0.877 1.853 -1.588) 2.594 3.020 ( 0.666 4.254 -0.530) 4.339 3.137 ( 0.142 2.031 1.348) 2.442 3.265 ( -1.261 -4.305 -2.220) 5.005 3.325 ( 2.467 0.422 -4.910) 5.511 3.409 ( 3.342 4.958 0.685) 6.018 3.437 ( -3.687 2.504 3.955) 5.959 3.510 ( 2.838 1.968 -3.189) 4.701 3.680 ( -1.022 -0.228 8.099) 8.167 3.772 ( -3.308 3.791 -1.080) 5.146 3.920 ( -1.537 0.193 4.397) 4.661 4.056 ( 1.001 -2.662 -0.163) 2.848 4.169 ( -4.489 -3.405 -1.309) 5.784 4.287 ( -1.435 -7.216 -4.380) 8.562 4.329 ( -1.476 -13.256 -2.685) 13.605 4.409 ( 2.326 0.049 -0.072) 2.328 4.555 ( -0.172 2.050 -1.481) 2.535 4.671 ( 0.320 -0.110 -1.918) 1.948 4.692 ( 4.067 -3.409 -1.001) 5.401 4.711 ( -0.066 -4.398 -1.197) 4.558 4.870 ( 4.192 0.118 -6.070) 7.377 4.992 ( -3.826 1.188 0.047) 4.006 5.307 ( -10.316 3.923 -7.297) 13.231 20.947 ( 0.089 0.652 0.328) 0.735 20.954 ( -0.113 0.602 0.270) 0.670 20.975 ( 0.130 -0.061 -0.401) 0.426 20.987 ( -0.290 0.773 -0.437) 0.934 21.135 ( 0.325 -0.378 0.467) 0.683 21.138 ( 0.257 -0.185 0.237) 0.396 21.157 ( 0.486 -0.640 -0.032) 0.804 21.184 ( -0.335 -0.309 -0.602) 0.755 24.155 ( 0.778 -0.148 -0.119) 0.801 24.165 ( 0.340 -0.128 -0.245) 0.438 24.197 ( -0.370 -0.315 -0.108) 0.498 24.198 ( -0.418 -0.444 -0.100) 0.619 32.151 ( -0.239 -0.133 -0.115) 0.297 32.158 ( -0.351 -0.293 -0.225) 0.509 32.207 ( 0.700 -0.404 0.356) 0.883 32.214 ( 0.582 -0.365 0.305) 0.751 40.915 ( 0.554 19.445 -0.387) 19.457 41.090 ( -4.466 8.019 -1.460) 9.295 41.653 ( 5.222 0.413 -0.487) 5.261 41.909 ( -2.885 0.069 -6.102) 6.750 42.174 ( 7.220 2.182 6.075) 9.685 42.488 ( 0.318 1.001 -3.340) 3.502 43.541 ( -3.296 -5.940 6.332) 9.287 43.727 ( -12.502 -7.493 4.112) 15.145======================= Grid point 136 (48/80) =======================q-point: ( 0.43 0.11 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 221Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.399 ( 12.689 10.660 5.402) 17.431 1.581 ( 1.646 6.779 4.120) 8.102 1.686 ( 1.888 6.902 8.739) 11.295 1.828 ( -6.054 1.059 10.332) 12.022 2.028 ( 2.469 8.458 1.068) 8.875 2.086 ( -2.733 6.767 -1.029) 7.370 2.242 ( 7.242 3.553 -3.288) 8.711 2.340 ( 2.701 7.971 4.092) 9.358 2.469 ( 1.663 2.926 6.435) 7.262 2.632 ( -7.356 0.543 7.596) 10.588 2.771 ( 0.118 1.687 2.501) 3.019 2.787 ( -2.072 4.355 3.466) 5.939 2.954 ( 1.271 1.153 -0.705) 1.855 2.963 ( 0.613 1.498 -0.729) 1.775 3.054 ( 3.271 3.301 -0.288) 4.656 3.116 ( -2.270 3.408 -0.767) 4.166 3.249 ( 0.582 -5.211 0.753) 5.297 3.303 ( -4.498 -2.070 2.729) 5.653 3.443 ( 3.667 2.501 -1.206) 4.600 3.469 ( 1.534 4.282 -0.910) 4.638 3.567 ( 3.082 2.714 -1.227) 4.286 3.633 ( -3.659 4.306 2.874) 6.339 3.776 ( 4.045 0.076 0.648) 4.097 3.874 ( -4.218 -0.193 2.505) 4.909 4.051 ( -1.097 -3.417 -0.033) 3.589 4.065 ( -3.941 -5.170 -0.633) 6.532 4.282 ( 1.594 -7.587 -4.437) 8.933 4.317 ( -1.390 -9.896 -2.984) 10.429 4.465 ( 3.364 0.906 -1.721) 3.886 4.527 ( -2.764 1.771 -2.783) 4.304 4.680 ( 1.160 0.278 -0.142) 1.202 4.703 ( -0.902 -1.552 -0.510) 1.866 4.787 ( 5.277 -2.573 -0.227) 5.875 4.884 ( -4.402 -0.676 -1.223) 4.618 4.992 ( 5.631 -0.171 -5.809) 8.092 5.128 ( -8.389 1.193 -6.668) 10.783 20.949 ( 0.127 0.685 0.311) 0.763 20.952 ( -0.139 0.666 0.278) 0.735 20.978 ( 0.176 0.056 -0.382) 0.424 20.982 ( -0.238 0.334 -0.380) 0.559 21.140 ( 0.225 -0.292 0.392) 0.538 21.142 ( 0.074 -0.225 0.313) 0.393 21.166 ( 0.495 -0.553 -0.112) 0.751 21.176 ( -0.504 -0.376 -0.337) 0.713 24.168 ( 0.509 -0.163 -0.158) 0.558 24.171 ( 0.206 -0.120 -0.173) 0.295 24.190 ( -0.263 -0.364 -0.108) 0.462 24.191 ( -0.330 -0.343 -0.196) 0.515 32.149 ( 0.050 -0.221 -0.149) 0.271 32.152 ( -0.234 -0.296 -0.203) 0.428 32.218 ( 0.378 -0.462 0.483) 0.768 32.221 ( 0.078 -0.458 0.459) 0.653 40.945 ( 2.571 14.848 1.037) 15.105 41.008 ( -4.003 10.993 0.516) 11.710 41.752 ( 5.070 0.601 -2.862) 5.853 41.841 ( -4.204 0.514 -4.698) 6.326 42.324 ( 7.923 1.356 4.678) 9.301 42.449 ( -4.636 0.896 1.143) 4.858 43.500 ( -0.376 -6.204 3.674) 7.220 43.549 ( -5.919 -6.474 3.257) 9.357======================= Grid point 140 (49/80) =======================q-point: ( 0.00 0.22 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 128Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.135 ( 0.000 14.729 12.961) 19.620 1.280 ( 0.000 15.996 15.645) 22.375 1.799 ( 0.000 7.191 -4.080) 8.268 1.924 ( 0.000 13.389 7.835) 15.513 1.960 ( 0.000 11.439 1.735) 11.570 2.143 ( 0.000 8.660 1.330) 8.761 2.400 ( 0.000 3.395 -0.770) 3.481 2.505 ( 0.000 9.291 4.434) 10.295 2.610 ( 0.000 -1.177 4.739) 4.883 2.699 ( 0.000 -3.173 0.424) 3.201 2.730 ( 0.000 -4.373 0.973) 4.479 2.799 ( 0.000 6.786 4.082) 7.919 2.915 ( 0.000 -4.377 0.314) 4.388 2.961 ( 0.000 1.102 8.049) 8.124 3.102 ( 0.000 7.068 0.793) 7.113 3.104 ( 0.000 5.986 0.296) 5.993 3.307 ( 0.000 7.254 1.180) 7.349 3.400 ( 0.000 1.416 -2.534) 2.903 3.416 ( 0.000 7.121 -4.713) 8.540 3.506 ( 0.000 -7.675 5.640) 9.524 3.532 ( 0.000 5.675 -2.241) 6.101 3.663 ( 0.000 0.344 2.986) 3.006 3.918 ( 0.000 -2.732 -0.044) 2.732 3.924 ( 0.000 -5.967 -3.294) 6.816 3.959 ( 0.000 -3.605 -2.655) 4.477 4.074 ( 0.000 6.044 3.684) 7.079 4.205 ( 0.000 -2.554 -1.909) 3.189 4.335 ( 0.000 -3.179 1.274) 3.425 4.427 ( 0.000 -5.860 1.765) 6.120 4.475 ( 0.000 -4.220 0.917) 4.319 4.581 ( 0.000 -2.341 -3.553) 4.255 4.588 ( 0.000 3.764 -8.166) 8.991 4.615 ( 0.000 -2.562 -0.561) 2.623 4.768 ( 0.000 -2.008 -5.601) 5.950 5.100 ( 0.000 -1.199 4.454) 4.612 5.591 ( 0.000 -4.273 -7.215) 8.385 20.961 ( 0.000 0.988 0.087) 0.991 20.970 ( 0.000 0.790 0.430) 0.899 20.971 ( 0.000 0.058 -0.384) 0.388 21.020 ( 0.000 0.841 -0.539) 0.999 21.114 ( 0.000 -0.145 0.155) 0.212 21.135 ( 0.000 -0.007 0.434) 0.434 21.135 ( 0.000 -0.330 -0.253) 0.416 21.181 ( 0.000 -0.581 -0.639) 0.864 24.135 ( 0.000 0.070 0.230) 0.240 24.154 ( 0.000 -0.205 -0.284) 0.350 24.195 ( 0.000 -0.569 0.056) 0.572 24.198 ( 0.000 -0.382 -0.173) 0.419 32.168 ( 0.000 -0.151 -0.094) 0.178 32.170 ( 0.000 -0.080 0.086) 0.118 32.174 ( 0.000 -0.098 0.033) 0.103 32.187 ( 0.000 -0.101 -0.129) 0.164 41.320 ( 0.000 6.323 -4.814) 7.947 41.382 ( 0.000 13.888 -11.468) 18.011 41.571 ( 0.000 7.127 -3.696) 8.028 41.934 ( 0.000 -1.700 -9.433) 9.585 42.118 ( 0.000 5.701 7.973) 9.801 42.498 ( 0.000 3.516 -3.115) 4.697 43.484 ( 0.000 -8.008 10.037) 12.840 43.843 ( 0.000 -14.064 3.629) 14.524======================= Grid point 141 (50/80) =======================q-point: ( 0.14 0.22 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 221Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.224 ( 8.732 13.598 10.901) 19.493 1.336 ( 5.819 14.770 14.945) 21.803 1.858 ( 5.790 7.020 -5.043) 10.404 1.950 ( 1.660 11.967 3.759) 12.653 2.013 ( 5.894 11.412 6.580) 14.432 2.179 ( 2.813 6.618 2.076) 7.484 2.332 ( -6.513 6.637 2.876) 9.733 2.491 ( -0.089 7.560 1.440) 7.696 2.621 ( 0.484 -1.927 3.288) 3.842 2.697 ( -0.639 0.035 1.500) 1.631 2.731 ( -1.892 -2.214 4.265) 5.164 2.819 ( 2.973 2.137 -0.019) 3.661 2.914 ( 1.010 -3.953 0.893) 4.177 2.978 ( 1.323 4.626 4.648) 6.690 3.104 ( 0.358 5.695 0.357) 5.718 3.131 ( 2.448 4.893 1.400) 5.647 3.274 ( -2.201 4.404 0.498) 4.949 3.387 ( -1.149 3.175 -3.222) 4.667 3.459 ( 2.493 3.876 0.353) 4.622 3.510 ( 0.745 -0.446 3.544) 3.649 3.534 ( 0.379 4.236 -2.090) 4.739 3.662 ( -0.015 -0.392 2.307) 2.340 3.864 ( -2.992 -2.088 -1.686) 4.020 3.947 ( 0.118 -3.109 -1.763) 3.576 4.007 ( 4.119 -7.838 -1.778) 9.031 4.046 ( -2.372 4.765 2.471) 5.868 4.168 ( -3.566 -3.123 -2.207) 5.229 4.338 ( -4.294 -2.631 0.937) 5.122 4.357 ( -1.219 -2.444 -0.371) 2.756 4.510 ( 3.518 -4.519 0.820) 5.785 4.571 ( 0.865 -0.683 -2.167) 2.431 4.624 ( 0.812 -2.405 -0.805) 2.663 4.643 ( 2.048 -0.450 -6.752) 7.070 4.781 ( 1.798 -1.975 -5.185) 5.832 5.070 ( -3.035 -1.337 4.055) 5.239 5.515 ( -7.572 -3.379 -6.204) 10.356 20.962 ( 0.069 0.984 0.062) 0.989 20.968 ( -0.119 0.493 0.002) 0.508 20.973 ( 0.158 0.342 0.010) 0.376 21.016 ( -0.416 0.887 -0.496) 1.098 21.116 ( 0.151 -0.325 0.275) 0.452 21.135 ( 0.048 -0.105 0.456) 0.470 21.139 ( 0.353 -0.306 -0.237) 0.524 21.181 ( -0.048 -0.524 -0.617) 0.811 24.140 ( 0.491 -0.014 0.138) 0.511 24.156 ( 0.210 -0.203 -0.267) 0.396 24.193 ( -0.213 -0.538 0.049) 0.581 24.196 ( -0.190 -0.385 -0.177) 0.464 32.158 ( -0.570 -0.006 -0.072) 0.574 32.163 ( -0.545 -0.047 -0.108) 0.558 32.186 ( 0.709 -0.309 0.147) 0.787 32.195 ( 0.606 -0.300 0.054) 0.678 41.285 ( -2.256 8.298 -4.082) 9.519 41.397 ( -0.423 17.009 -12.460) 21.089 41.584 ( 2.215 2.887 -1.009) 3.777 41.930 ( -0.531 -1.269 -9.173) 9.276 42.150 ( 3.335 5.395 7.839) 10.083 42.509 ( 1.055 3.068 -2.933) 4.374 43.455 ( -2.890 -8.278 9.167) 12.685 43.745 ( -9.357 -12.532 4.792) 16.358======================= Grid point 142 (51/80) =======================q-point: ( 0.29 0.22 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 221Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.421 ( 10.879 13.261 7.467) 18.707 1.501 ( 11.462 10.528 12.849) 20.182 1.953 ( 1.009 9.317 -0.488) 9.385 1.994 ( 1.468 7.661 3.115) 8.399 2.094 ( 1.264 6.901 2.113) 7.327 2.216 ( 0.913 4.984 1.313) 5.234 2.267 ( 3.356 10.361 4.756) 11.884 2.500 ( 0.599 8.330 0.817) 8.391 2.596 ( -4.905 0.073 3.403) 5.971 2.644 ( -1.237 0.664 5.275) 5.459 2.727 ( 1.408 -2.548 2.290) 3.704 2.887 ( 3.362 0.728 -1.013) 3.586 2.955 ( 2.810 -0.619 -0.513) 2.923 3.009 ( 1.470 8.187 3.432) 8.998 3.113 ( 0.528 3.616 -0.133) 3.657 3.165 ( 0.353 1.213 1.297) 1.811 3.240 ( -1.509 3.498 1.845) 4.233 3.386 ( 1.357 5.700 -3.878) 7.027 3.447 ( -2.947 -2.159 5.508) 6.609 3.546 ( 2.814 6.120 0.293) 6.743 3.554 ( 1.061 4.906 -0.073) 5.020 3.671 ( 1.032 -0.688 0.927) 1.549 3.805 ( -2.522 0.178 -2.039) 3.248 3.935 ( -1.752 -0.976 -0.392) 2.044 4.024 ( 0.262 -0.691 -2.146) 2.269 4.052 ( -2.239 -6.827 1.304) 7.302 4.104 ( -0.471 -6.363 -4.943) 8.071 4.195 ( -7.469 -1.829 -1.205) 7.784 4.399 ( 3.329 -1.334 0.104) 3.588 4.586 ( 0.426 0.684 -1.422) 1.634 4.601 ( 4.902 -5.286 0.121) 7.210 4.635 ( 0.326 -2.627 -1.894) 3.255 4.661 ( 1.072 -0.919 -3.299) 3.589 4.843 ( 4.453 -2.438 -5.082) 7.183 4.990 ( -5.261 -1.778 3.192) 6.406 5.331 ( -11.025 -2.108 -4.468) 12.081 20.964 ( 0.101 0.962 0.004) 0.967 20.966 ( -0.065 0.522 -0.052) 0.529 20.977 ( 0.215 0.339 0.004) 0.402 21.006 ( -0.652 0.875 -0.364) 1.150 21.120 ( 0.347 -0.610 0.455) 0.836 21.136 ( -0.031 -0.399 0.459) 0.609 21.148 ( 0.575 -0.196 -0.190) 0.636 21.178 ( -0.255 -0.388 -0.523) 0.699 24.152 ( 0.681 -0.157 -0.012) 0.699 24.161 ( 0.351 -0.195 -0.229) 0.462 24.188 ( -0.356 -0.484 0.027) 0.601 24.191 ( -0.354 -0.386 -0.187) 0.556 32.149 ( -0.305 -0.006 -0.107) 0.323 32.154 ( -0.411 -0.058 -0.168) 0.447 32.198 ( 0.554 -0.525 0.310) 0.824 32.205 ( 0.393 -0.548 0.251) 0.719 41.255 ( -0.841 10.935 -2.981) 11.365 41.353 ( -3.385 18.538 -8.505) 20.675 41.661 ( 5.264 0.283 -1.893) 5.601 41.906 ( -2.083 -0.415 -8.007) 8.284 42.242 ( 6.237 4.726 7.274) 10.684 42.524 ( -0.046 2.669 -1.297) 2.968 43.386 ( -3.855 -9.041 7.065) 12.105 43.541 ( -10.710 -10.421 5.579) 15.951======================= Grid point 143 (52/80) =======================q-point: ( 0.43 0.22 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 221Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.628 ( 11.011 11.770 5.815) 17.134 1.728 ( 10.101 8.547 8.283) 15.610 1.857 ( -9.045 8.751 6.185) 14.023 1.919 ( -5.621 7.798 8.878) 13.085 2.196 ( 4.522 7.331 -2.838) 9.069 2.229 ( 0.629 5.931 -1.672) 6.194 2.333 ( 3.187 5.511 -1.751) 6.603 2.442 ( -6.538 2.822 -3.175) 7.797 2.586 ( 3.664 4.889 8.590) 10.542 2.631 ( -1.077 -0.679 4.792) 4.958 2.789 ( 5.810 1.571 5.334) 8.042 2.905 ( -3.552 5.087 3.722) 7.235 2.992 ( 1.433 0.932 -0.270) 1.730 3.017 ( -0.533 5.341 -1.249) 5.511 3.137 ( 2.349 4.900 0.349) 5.445 3.173 ( 0.496 0.270 3.445) 3.491 3.216 ( 0.431 4.360 0.720) 4.440 3.309 ( -6.973 2.740 3.345) 8.205 3.497 ( 5.189 3.497 -2.570) 6.764 3.556 ( -0.956 5.396 -0.330) 5.490 3.603 ( 2.959 -0.044 3.107) 4.291 3.661 ( -2.672 -1.979 2.457) 4.135 3.820 ( 4.402 4.715 -4.299) 7.752 3.910 ( -1.428 1.461 -1.580) 2.582 3.952 ( -4.276 -4.887 -1.267) 6.616 3.990 ( -4.872 0.314 -1.637) 5.149 4.113 ( 1.172 -8.750 -3.461) 9.482 4.132 ( -0.398 -7.720 -2.855) 8.241 4.472 ( 4.068 -0.619 -0.818) 4.195 4.546 ( -3.564 -0.199 -2.031) 4.107 4.650 ( 1.134 -2.555 -2.020) 3.449 4.660 ( 0.324 -2.752 -2.061) 3.453 4.738 ( 6.768 -1.998 1.471) 7.208 4.867 ( -6.242 -1.650 1.340) 6.594 4.959 ( 6.742 -3.040 -3.543) 8.200 5.124 ( -10.222 -2.103 -3.717) 11.078 20.965 ( 0.042 0.829 -0.041) 0.831 20.965 ( -0.016 0.638 -0.057) 0.641 20.983 ( 0.429 0.467 -0.065) 0.637 20.993 ( -0.635 0.703 -0.197) 0.968 21.128 ( 0.374 -0.722 0.521) 0.966 21.133 ( -0.221 -0.635 0.496) 0.836 21.160 ( 0.628 -0.168 -0.241) 0.693 21.171 ( -0.499 -0.245 -0.375) 0.671 24.164 ( 0.541 -0.217 -0.088) 0.590 24.168 ( 0.207 -0.169 -0.179) 0.322 24.181 ( -0.241 -0.470 -0.040) 0.530 24.183 ( -0.377 -0.402 -0.174) 0.578 32.146 ( -0.033 -0.049 -0.138) 0.150 32.148 ( -0.205 -0.078 -0.166) 0.275 32.206 ( 0.315 -0.668 0.406) 0.843 32.209 ( 0.020 -0.684 0.381) 0.783 41.256 ( 0.995 13.842 -2.895) 14.177 41.292 ( -2.734 16.592 -4.562) 17.423 41.763 ( 5.180 0.281 -4.101) 6.612 41.850 ( -3.851 0.188 -6.174) 7.279 42.374 ( 7.143 4.023 5.797) 10.040 42.487 ( -4.152 3.257 2.492) 5.835 43.336 ( -0.698 -9.818 4.935) 11.010 43.381 ( -5.617 -9.887 4.569) 12.255======================= Grid point 147 (53/80) =======================q-point: ( 0.00 0.33 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 128Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.439 ( 0.000 15.134 9.893) 18.080 1.539 ( 0.000 10.470 16.520) 19.558 1.906 ( 0.000 3.050 0.795) 3.152 2.042 ( 0.000 -2.091 12.323) 12.499 2.225 ( 0.000 15.540 -2.529) 15.744 2.334 ( 0.000 6.424 0.739) 6.466 2.476 ( 0.000 5.794 -4.658) 7.434 2.580 ( 0.000 -3.043 3.468) 4.614 2.625 ( 0.000 3.160 3.875) 5.000 2.645 ( 0.000 1.304 0.701) 1.480 2.664 ( 0.000 -0.878 0.219) 0.905 2.840 ( 0.000 -1.172 -1.783) 2.134 2.946 ( 0.000 3.445 5.450) 6.448 2.960 ( 0.000 -1.160 7.822) 7.907 3.195 ( 0.000 1.986 -4.056) 4.516 3.255 ( 0.000 -2.021 0.156) 2.027 3.326 ( 0.000 1.677 2.348) 2.886 3.449 ( 0.000 3.977 0.654) 4.030 3.489 ( 0.000 9.017 3.378) 9.629 3.534 ( 0.000 -5.710 -0.334) 5.719 3.586 ( 0.000 6.964 -5.589) 8.929 3.720 ( 0.000 6.480 -1.148) 6.581 3.842 ( 0.000 -2.278 -7.258) 7.607 3.855 ( 0.000 -2.132 -2.494) 3.281 3.971 ( 0.000 4.934 -2.911) 5.729 4.067 ( 0.000 -3.462 -2.997) 4.579 4.241 ( 0.000 -5.397 0.076) 5.397 4.311 ( 0.000 9.802 4.913) 10.964 4.360 ( 0.000 -1.553 0.239) 1.571 4.368 ( 0.000 -6.144 -0.469) 6.162 4.502 ( 0.000 -5.281 -2.293) 5.758 4.590 ( 0.000 -0.161 1.037) 1.049 4.714 ( 0.000 7.431 -3.845) 8.367 4.718 ( 0.000 -3.038 -5.003) 5.853 5.031 ( 0.000 -5.112 7.360) 8.961 5.439 ( 0.000 -10.342 -1.879) 10.512 20.976 ( 0.000 0.484 -0.261) 0.550 20.982 ( 0.000 1.052 0.034) 1.052 20.985 ( 0.000 0.665 0.236) 0.705 21.026 ( 0.000 -0.183 -0.131) 0.225 21.122 ( 0.000 0.683 -0.113) 0.692 21.130 ( 0.000 -0.212 -0.136) 0.252 21.133 ( 0.000 -0.170 0.218) 0.276 21.167 ( 0.000 -0.806 -0.506) 0.952 24.137 ( 0.000 0.135 0.140) 0.194 24.149 ( 0.000 -0.236 -0.198) 0.308 24.187 ( 0.000 -0.299 -0.037) 0.301 24.190 ( 0.000 -0.344 -0.206) 0.401 32.167 ( 0.000 0.004 -0.048) 0.048 32.170 ( 0.000 0.088 0.003) 0.088 32.172 ( 0.000 -0.076 0.108) 0.132 32.184 ( 0.000 -0.179 -0.103) 0.206 41.430 ( 0.000 4.329 -3.886) 5.817 41.476 ( 0.000 1.075 -3.297) 3.468 41.777 ( 0.000 8.568 -13.630) 16.099 41.903 ( 0.000 -1.125 -9.852) 9.916 42.248 ( 0.000 7.385 6.918) 10.119 42.550 ( 0.000 1.095 -1.646) 1.977 43.346 ( 0.000 -4.961 9.794) 10.979 43.591 ( 0.000 -11.111 5.783) 12.526======================= Grid point 148 (54/80) =======================q-point: ( 0.14 0.33 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 221Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.509 ( 7.127 14.417 9.164) 18.510 1.587 ( 4.778 10.572 15.088) 19.032 1.966 ( 5.505 2.991 0.831) 6.320 2.079 ( 3.845 -1.181 10.496) 11.240 2.242 ( 1.661 13.172 -1.204) 13.331 2.299 ( -3.661 4.513 2.577) 6.357 2.492 ( -0.154 8.965 -4.116) 9.866 2.567 ( -1.591 -1.954 2.783) 3.754 2.596 ( 0.935 2.553 3.136) 4.150 2.677 ( -0.391 0.024 0.475) 0.616 2.695 ( 3.408 -0.776 -1.690) 3.883 2.829 ( -0.366 -2.405 2.762) 3.680 2.905 ( -1.154 2.810 3.421) 4.574 3.013 ( 3.067 -0.972 4.605) 5.618 3.179 ( -1.224 0.841 -3.966) 4.235 3.287 ( 0.370 -8.174 3.066) 8.738 3.325 ( 1.998 12.305 1.486) 12.554 3.433 ( -1.947 5.550 0.146) 5.883 3.470 ( 0.613 4.713 1.729) 5.057 3.555 ( 1.287 -3.704 0.209) 3.927 3.653 ( 4.084 4.941 -3.348) 7.232 3.694 ( -1.299 6.821 -2.679) 7.443 3.848 ( 1.122 -1.020 -5.687) 5.886 3.883 ( 1.706 -2.931 -2.751) 4.367 3.943 ( -2.342 4.580 -2.566) 5.748 4.029 ( -3.803 -3.142 -2.603) 5.578 4.207 ( -4.050 0.707 0.903) 4.209 4.281 ( -2.428 -2.680 0.959) 3.742 4.348 ( 1.290 3.810 2.131) 4.552 4.425 ( 2.909 -3.960 -0.020) 4.914 4.521 ( 2.254 -4.336 -1.595) 5.141 4.597 ( 0.536 -0.322 0.512) 0.808 4.668 ( -2.358 0.492 -5.029) 5.577 4.757 ( 1.928 1.385 -3.792) 4.473 5.002 ( -3.020 -4.962 6.810) 8.952 5.380 ( -5.920 -9.483 -1.617) 11.296 20.976 ( -0.044 0.499 -0.235) 0.553 20.983 ( 0.045 1.067 -0.082) 1.071 20.985 ( 0.040 0.580 0.267) 0.640 21.023 ( -0.263 -0.111 -0.160) 0.328 21.119 ( -0.177 0.517 0.009) 0.547 21.131 ( -0.066 -0.126 -0.003) 0.142 21.135 ( 0.354 -0.235 0.162) 0.454 21.167 ( 0.055 -0.775 -0.479) 0.912 24.140 ( 0.360 0.077 0.100) 0.382 24.151 ( 0.216 -0.231 -0.193) 0.371 24.185 ( -0.185 -0.293 -0.038) 0.349 24.188 ( -0.187 -0.341 -0.203) 0.439 32.159 ( -0.452 0.197 -0.035) 0.494 32.165 ( -0.430 0.222 -0.083) 0.491 32.179 ( 0.433 -0.327 0.130) 0.558 32.188 ( 0.306 -0.380 0.022) 0.489 41.416 ( -0.254 5.150 -3.418) 6.186 41.534 ( 4.699 0.875 -4.475) 6.548 41.748 ( -2.883 9.080 -12.364) 15.609 41.905 ( -0.017 -1.046 -9.984) 10.039 42.276 ( 2.998 7.245 7.347) 10.745 42.560 ( 1.018 1.351 -1.104) 2.020 43.308 ( -3.850 -5.616 9.291) 11.519 43.515 ( -7.452 -10.325 6.199) 14.162======================= Grid point 149 (55/80) =======================q-point: ( 0.29 0.33 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 221Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.686 ( 10.129 13.357 6.899) 18.127 1.711 ( 8.690 9.811 12.431) 18.064 2.070 ( 4.367 2.333 2.708) 5.643 2.149 ( -1.601 6.727 5.519) 8.848 2.232 ( 1.374 -0.100 3.988) 4.219 2.271 ( 0.959 8.649 0.344) 8.709 2.469 ( -1.942 7.582 -2.177) 8.124 2.561 ( 1.401 -0.238 2.519) 2.892 2.599 ( -5.775 -2.596 3.040) 7.024 2.614 ( -0.032 3.364 -0.049) 3.365 2.770 ( 1.829 2.013 3.242) 4.232 2.866 ( 5.022 -3.993 -1.917) 6.696 2.931 ( 3.579 1.292 0.352) 3.821 3.072 ( 2.839 -2.519 2.273) 4.424 3.155 ( -0.751 1.407 -1.432) 2.143 3.256 ( -1.920 -0.645 2.436) 3.168 3.374 ( -0.433 10.760 4.450) 11.652 3.410 ( 0.376 3.123 2.114) 3.790 3.514 ( 4.194 5.281 -2.579) 7.220 3.581 ( 1.367 -1.782 0.654) 2.339 3.626 ( -2.700 2.704 -0.482) 3.851 3.748 ( 1.716 7.162 -3.321) 8.078 3.857 ( -2.638 -1.388 -1.952) 3.563 3.880 ( 1.395 -2.180 -5.475) 6.056 3.940 ( -2.721 1.257 -1.177) 3.220 3.955 ( 1.326 -0.983 -3.065) 3.482 4.111 ( -5.100 2.078 -0.432) 5.524 4.221 ( -4.387 1.919 0.705) 4.840 4.381 ( 2.236 0.973 0.656) 2.525 4.488 ( 3.486 -6.113 0.751) 7.077 4.572 ( 2.110 -2.542 0.045) 3.304 4.591 ( -1.188 -1.604 -3.440) 3.977 4.656 ( 1.878 -0.218 -1.753) 2.579 4.796 ( 2.571 -1.486 -3.560) 4.636 4.922 ( -5.192 -4.420 5.320) 8.649 5.230 ( -9.464 -7.581 -1.222) 12.187 20.975 ( 0.030 0.529 -0.173) 0.557 20.983 ( -0.080 0.917 -0.179) 0.937 20.987 ( 0.241 0.575 0.171) 0.646 21.016 ( -0.512 0.096 -0.207) 0.560 21.117 ( 0.010 0.276 0.263) 0.381 21.128 ( -0.168 -0.168 0.211) 0.318 21.144 ( 0.526 -0.322 0.071) 0.621 21.167 ( -0.107 -0.696 -0.379) 0.800 24.149 ( 0.556 -0.039 0.018) 0.558 24.157 ( 0.370 -0.216 -0.183) 0.466 24.180 ( -0.338 -0.285 -0.039) 0.444 24.183 ( -0.348 -0.334 -0.193) 0.519 32.152 ( -0.280 0.327 -0.063) 0.435 32.157 ( -0.388 0.349 -0.127) 0.537 32.187 ( 0.330 -0.595 0.217) 0.714 32.193 ( 0.166 -0.648 0.163) 0.689 41.432 ( 1.928 7.178 -3.836) 8.365 41.626 ( 3.029 4.179 -8.962) 10.342 41.685 ( -1.867 5.961 -6.582) 9.074 41.893 ( -1.544 -0.938 -9.415) 9.587 42.362 ( 6.007 7.255 7.696) 12.163 42.585 ( 1.333 2.978 0.707) 3.339 43.213 ( -5.655 -7.658 8.062) 12.475 43.340 ( -9.939 -9.427 6.411) 15.125======================= Grid point 150 (56/80) =======================q-point: ( 0.43 0.33 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 221Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.851 ( 8.330 10.150 6.880) 14.824 1.916 ( 9.715 10.084 6.002) 15.235 2.027 ( -6.830 8.459 7.864) 13.418 2.089 ( -3.741 7.837 6.529) 10.865 2.282 ( 1.635 0.131 -0.318) 1.671 2.311 ( 1.059 3.895 -1.880) 4.453 2.430 ( 0.371 3.192 -0.109) 3.216 2.495 ( -4.622 2.327 0.036) 5.174 2.598 ( 1.298 -1.073 3.224) 3.638 2.611 ( -0.412 0.317 2.224) 2.284 2.822 ( 4.889 -0.010 4.364) 6.553 2.909 ( -2.064 -4.419 1.249) 5.035 3.013 ( 3.825 2.201 -1.776) 4.757 3.070 ( -2.326 -0.326 -2.302) 3.288 3.216 ( 5.892 -0.931 1.295) 6.104 3.248 ( 1.364 0.465 1.889) 2.376 3.333 ( -2.173 10.141 3.425) 10.923 3.380 ( -4.385 6.607 3.524) 8.678 3.591 ( 1.067 -1.242 -0.430) 1.693 3.597 ( -0.274 1.475 0.642) 1.632 3.622 ( 4.718 6.557 -0.635) 8.103 3.707 ( -4.025 7.262 -1.072) 8.372 3.829 ( -0.610 -4.988 -2.767) 5.736 3.854 ( -2.936 -3.156 -2.694) 5.083 3.952 ( 3.823 -1.730 -2.103) 4.694 4.009 ( 0.705 3.319 -4.298) 5.475 4.042 ( -0.030 2.384 -1.283) 2.707 4.122 ( -5.536 8.382 -1.456) 10.150 4.435 ( 3.308 -2.970 0.072) 4.446 4.497 ( -2.687 -5.197 -0.259) 5.856 4.597 ( 1.683 -2.921 -1.723) 3.786 4.603 ( 0.821 -3.039 -0.519) 3.191 4.715 ( 4.160 -0.169 0.646) 4.213 4.814 ( -5.821 -3.042 3.064) 7.247 4.881 ( 6.708 -4.513 -2.449) 8.448 5.042 ( -9.743 -5.838 -1.403) 11.444 20.977 ( 0.141 0.606 -0.130) 0.635 20.980 ( -0.171 0.735 -0.139) 0.767 20.994 ( 0.474 0.524 -0.054) 0.709 21.005 ( -0.602 0.346 -0.184) 0.718 21.120 ( 0.215 0.014 0.413) 0.466 21.124 ( -0.248 -0.141 0.368) 0.465 21.154 ( 0.524 -0.458 -0.051) 0.698 21.163 ( -0.356 -0.587 -0.220) 0.721 24.160 ( 0.532 -0.118 -0.052) 0.548 24.164 ( 0.289 -0.154 -0.174) 0.371 24.173 ( -0.305 -0.327 -0.047) 0.450 24.176 ( -0.414 -0.333 -0.166) 0.557 32.149 ( -0.037 0.381 -0.096) 0.395 32.151 ( -0.204 0.391 -0.123) 0.458 32.192 ( 0.210 -0.769 0.271) 0.842 32.194 ( -0.043 -0.794 0.252) 0.834 41.487 ( 3.793 9.289 -5.431) 11.409 41.571 ( -4.745 10.809 -8.354) 14.461 41.756 ( 5.231 -1.195 -5.702) 7.829 41.843 ( -3.715 -1.035 -7.861) 8.756 42.490 ( 6.806 7.654 6.979) 12.394 42.585 ( -2.323 6.469 4.111) 8.009 43.131 ( -1.626 -10.396 6.404) 12.318 43.178 ( -6.261 -10.208 5.705) 13.264======================= Grid point 154 (57/80) =======================q-point: ( 0.00 0.44 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 128Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.701 ( 0.000 10.069 8.058) 12.896 1.713 ( 0.000 7.145 15.642) 17.197 1.909 ( 0.000 -2.790 1.996) 3.430 1.928 ( 0.000 -6.909 12.068) 13.906 2.427 ( 0.000 3.094 3.454) 4.638 2.431 ( 0.000 3.477 1.507) 3.790 2.510 ( 0.000 -1.161 -1.012) 1.540 2.511 ( 0.000 -1.569 2.776) 3.189 2.711 ( 0.000 5.413 -0.451) 5.432 2.734 ( 0.000 5.216 -1.301) 5.376 2.772 ( 0.000 7.993 2.157) 8.279 2.846 ( 0.000 0.260 0.355) 0.440 2.928 ( 0.000 -1.022 5.389) 5.485 2.958 ( 0.000 -0.076 1.918) 1.920 3.060 ( 0.000 -7.959 1.532) 8.105 3.139 ( 0.000 -8.039 -3.611) 8.813 3.413 ( 0.000 1.119 -5.740) 5.848 3.429 ( 0.000 -2.250 -5.505) 5.947 3.586 ( 0.000 5.067 -1.587) 5.310 3.632 ( 0.000 -1.022 -5.191) 5.291 3.662 ( 0.000 8.711 2.481) 9.057 3.783 ( 0.000 -2.311 -1.204) 2.606 3.847 ( 0.000 3.194 -0.380) 3.217 3.888 ( 0.000 2.107 1.621) 2.658 4.046 ( 0.000 1.751 -5.189) 5.477 4.081 ( 0.000 2.336 -5.736) 6.193 4.189 ( 0.000 2.569 0.344) 2.592 4.269 ( 0.000 -1.010 -4.142) 4.263 4.315 ( 0.000 -5.245 -4.208) 6.724 4.338 ( 0.000 -6.109 -1.393) 6.266 4.549 ( 0.000 9.489 5.235) 10.837 4.598 ( 0.000 0.825 2.261) 2.407 4.660 ( 0.000 -1.544 -1.317) 2.029 4.766 ( 0.000 -5.876 1.540) 6.075 5.007 ( 0.000 6.665 5.577) 8.690 5.211 ( 0.000 -11.878 2.105) 12.063 20.987 ( 0.000 0.481 -0.061) 0.485 20.991 ( 0.000 0.091 0.182) 0.204 21.003 ( 0.000 0.891 -0.119) 0.899 21.018 ( 0.000 -0.561 -0.065) 0.565 21.126 ( 0.000 -0.137 0.079) 0.158 21.126 ( 0.000 -0.131 0.286) 0.315 21.138 ( 0.000 0.667 -0.429) 0.793 21.151 ( 0.000 -0.689 -0.447) 0.821 24.140 ( 0.000 0.199 0.032) 0.202 24.145 ( 0.000 -0.237 -0.085) 0.252 24.183 ( 0.000 -0.040 -0.144) 0.149 24.185 ( 0.000 -0.186 -0.201) 0.274 32.168 ( 0.000 0.112 0.008) 0.112 32.170 ( 0.000 -0.109 0.024) 0.112 32.174 ( 0.000 0.261 0.048) 0.265 32.180 ( 0.000 -0.285 -0.035) 0.287 41.484 ( 0.000 1.181 -3.986) 4.158 41.489 ( 0.000 0.340 -3.781) 3.796 41.875 ( 0.000 2.090 -10.724) 10.926 41.892 ( 0.000 -0.242 -9.427) 9.430 42.399 ( 0.000 7.409 3.416) 8.158 42.520 ( 0.000 -4.204 0.300) 4.214 43.314 ( 0.000 1.869 8.608) 8.808 43.408 ( 0.000 -7.215 6.982) 10.040======================= Grid point 155 (58/80) =======================q-point: ( 0.14 0.44 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 221Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.756 ( 5.254 8.684 12.661) 16.227 1.774 ( 6.271 8.948 9.280) 14.335 1.949 ( 3.345 -4.423 8.427) 10.088 1.985 ( 6.417 -5.912 4.770) 9.944 2.396 ( -3.427 5.038 3.905) 7.237 2.428 ( -0.633 3.791 2.021) 4.342 2.507 ( 0.065 -1.276 1.538) 1.999 2.541 ( 2.680 -3.650 -1.066) 4.652 2.700 ( -1.579 4.914 0.049) 5.162 2.726 ( -0.809 3.819 -3.185) 5.038 2.758 ( -1.201 5.805 2.074) 6.280 2.809 ( -2.315 0.345 5.214) 5.715 2.957 ( 1.584 -1.551 2.316) 3.206 2.979 ( 2.699 4.208 0.226) 5.005 3.062 ( 0.428 -8.504 2.350) 8.833 3.148 ( 0.880 -7.604 -3.439) 8.392 3.442 ( 2.538 0.561 -5.993) 6.532 3.454 ( 2.502 -1.325 -5.568) 6.246 3.588 ( 0.374 5.667 -1.609) 5.903 3.638 ( -1.973 8.369 2.400) 8.927 3.661 ( 2.316 -2.361 -4.011) 5.198 3.757 ( -2.418 -1.921 -1.452) 3.412 3.847 ( 0.397 3.612 1.165) 3.816 3.912 ( 1.688 0.387 0.468) 1.794 4.011 ( -3.428 2.210 -4.888) 6.366 4.065 ( -1.196 1.902 -3.276) 3.972 4.210 ( 0.916 3.660 0.768) 3.850 4.232 ( -1.331 1.195 -4.095) 4.469 4.337 ( 0.194 -5.214 -2.122) 5.633 4.378 ( 4.390 -6.846 -2.733) 8.579 4.520 ( -2.214 7.258 3.029) 8.170 4.614 ( 0.746 -0.566 1.592) 1.847 4.634 ( -2.154 0.988 -0.608) 2.447 4.758 ( -0.753 -5.928 1.436) 6.146 4.980 ( -2.814 6.186 4.943) 8.404 5.169 ( -4.308 -11.089 1.934) 12.052 20.987 ( -0.030 0.496 -0.055) 0.500 20.991 ( 0.023 0.059 0.147) 0.160 21.003 ( -0.077 0.844 -0.150) 0.861 21.016 ( -0.160 -0.523 -0.088) 0.554 21.125 ( -0.060 0.098 0.216) 0.244 21.129 ( 0.172 -0.313 0.168) 0.395 21.138 ( -0.071 0.677 -0.301) 0.744 21.152 ( 0.027 -0.756 -0.394) 0.853 24.143 ( 0.276 0.168 0.015) 0.324 24.147 ( 0.233 -0.223 -0.090) 0.335 24.182 ( -0.181 -0.040 -0.139) 0.231 24.183 ( -0.182 -0.184 -0.195) 0.325 32.165 ( -0.204 0.349 0.017) 0.405 32.171 ( -0.157 0.258 -0.095) 0.316 32.173 ( 0.045 -0.215 0.147) 0.265 32.180 ( 0.020 -0.449 0.007) 0.450 41.492 ( 1.592 2.700 -4.025) 5.102 41.529 ( 3.409 -1.112 -4.346) 5.634 41.861 ( -1.545 2.883 -10.948) 11.426 41.890 ( -0.362 -0.670 -9.889) 9.918 42.424 ( 2.749 7.191 4.463) 8.898 42.538 ( 2.063 -3.760 1.220) 4.459 43.262 ( -5.354 1.202 8.444) 10.071 43.345 ( -6.421 -6.701 7.069) 11.667======================= Grid point 156 (59/80) =======================q-point: ( 0.29 0.44 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 221Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.879 ( 7.229 7.442 10.382) 14.677 1.933 ( 9.875 9.805 6.880) 15.524 2.032 ( 5.295 -3.805 6.958) 9.535 2.141 ( 8.769 -6.696 3.682) 11.631 2.302 ( -5.760 6.728 3.883) 9.670 2.400 ( -2.553 -0.543 4.014) 4.788 2.523 ( 1.169 1.617 0.441) 2.044 2.536 ( -4.788 1.424 1.869) 5.334 2.659 ( -2.244 3.618 1.053) 4.386 2.720 ( 0.156 1.422 -3.076) 3.392 2.753 ( 0.813 -0.737 -0.544) 1.225 2.776 ( -0.139 -0.901 4.047) 4.149 3.010 ( 3.720 1.079 0.971) 3.993 3.031 ( 2.556 4.138 -0.812) 4.931 3.080 ( 1.501 -6.496 2.548) 7.138 3.165 ( 0.654 -6.569 -2.376) 7.016 3.484 ( 1.606 1.966 -5.033) 5.637 3.512 ( 2.653 -0.330 -4.695) 5.403 3.587 ( -0.753 6.354 0.035) 6.399 3.622 ( 1.359 4.670 0.496) 4.889 3.679 ( -1.633 -2.052 -1.102) 2.844 3.725 ( 0.342 -3.669 -3.350) 4.980 3.847 ( -1.623 3.519 0.421) 3.898 3.907 ( -3.834 -1.814 -3.468) 5.478 3.955 ( 0.252 6.663 -1.259) 6.785 4.078 ( 3.354 -0.474 1.903) 3.885 4.171 ( -2.982 5.948 -0.290) 6.660 4.254 ( 0.855 4.323 -0.115) 4.409 4.346 ( 0.878 -4.924 -1.466) 5.212 4.456 ( 2.932 -5.204 -0.892) 6.039 4.481 ( -1.743 2.163 -0.284) 2.792 4.564 ( -3.487 -2.661 -2.774) 5.190 4.656 ( 2.833 2.107 1.620) 3.884 4.745 ( -0.145 -5.316 0.993) 5.410 4.907 ( -4.611 4.899 3.230) 7.463 5.057 ( -7.118 -9.030 1.367) 11.579 20.987 ( 0.068 0.536 -0.057) 0.543 20.993 ( 0.127 0.016 0.053) 0.139 21.000 ( -0.184 0.701 -0.195) 0.751 21.012 ( -0.314 -0.426 -0.138) 0.547 21.125 ( 0.043 0.375 0.283) 0.472 21.132 ( 0.091 0.068 0.020) 0.115 21.137 ( 0.062 0.107 0.080) 0.147 21.151 ( -0.101 -0.861 -0.249) 0.902 24.150 ( 0.458 0.097 -0.026) 0.469 24.153 ( 0.401 -0.190 -0.105) 0.456 24.177 ( -0.339 -0.039 -0.125) 0.364 24.178 ( -0.340 -0.180 -0.178) 0.424 32.162 ( -0.134 0.588 0.011) 0.604 32.166 ( -0.253 0.611 -0.053) 0.663 32.174 ( 0.083 -0.647 0.122) 0.663 32.180 ( -0.061 -0.694 0.065) 0.700 41.544 ( 3.748 4.326 -4.933) 7.556 41.611 ( 4.998 -2.495 -5.446) 7.802 41.812 ( -3.642 4.398 -10.685) 12.115 41.868 ( -2.176 -1.695 -10.047) 10.418 42.510 ( 6.430 6.979 6.168) 11.318 42.606 ( 5.124 -1.851 3.165) 6.301 43.121 ( -9.079 -0.737 8.063) 12.165 43.182 ( -10.119 -6.146 6.985) 13.746======================= Grid point 157 (60/80) =======================q-point: ( 0.43 0.44 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 221Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.018 ( 7.205 7.029 6.116) 11.779 2.105 ( 4.344 7.188 2.708) 8.824 2.136 ( 4.920 -2.464 4.270) 6.964 2.182 ( -2.797 5.144 8.041) 9.947 2.275 ( 1.839 -0.224 0.684) 1.975 2.378 ( -1.706 1.627 5.698) 6.167 2.397 ( -3.163 -2.393 6.843) 7.910 2.498 ( -5.066 -2.824 3.708) 6.884 2.648 ( 2.008 6.244 -0.523) 6.580 2.696 ( -2.300 6.733 -2.135) 7.428 2.785 ( 1.941 -5.413 -0.231) 5.755 2.800 ( 0.854 -4.153 -0.974) 4.350 3.061 ( 1.357 0.735 -0.022) 1.543 3.069 ( 0.808 3.511 -0.769) 3.684 3.127 ( 3.208 -5.538 1.223) 6.516 3.166 ( -0.721 -5.881 -0.550) 5.951 3.506 ( 1.143 6.083 -1.797) 6.445 3.528 ( -0.665 5.107 -0.291) 5.158 3.587 ( 0.886 0.868 -1.446) 1.905 3.625 ( -3.145 -1.909 -1.397) 3.935 3.683 ( 4.581 1.555 -1.524) 5.072 3.752 ( 2.157 -2.806 -3.453) 4.945 3.780 ( -4.667 0.584 -2.276) 5.225 3.816 ( -4.347 -1.517 -4.256) 6.270 4.013 ( 4.557 9.273 2.525) 10.636 4.101 ( -4.212 8.597 2.125) 9.806 4.170 ( 5.069 -0.643 2.065) 5.511 4.243 ( -2.114 1.056 1.459) 2.778 4.369 ( 1.636 -1.116 -1.591) 2.540 4.418 ( -3.518 2.718 -1.308) 4.635 4.501 ( 1.260 -7.577 -0.604) 7.705 4.523 ( -1.154 -5.179 -2.203) 5.745 4.725 ( 4.052 1.471 0.915) 4.407 4.780 ( 3.565 -2.980 0.659) 4.693 4.818 ( -3.630 1.742 0.693) 4.086 4.913 ( -7.639 -6.476 0.409) 10.023 20.990 ( 0.219 0.599 -0.086) 0.644 20.994 ( -0.174 0.584 -0.091) 0.616 20.999 ( 0.197 -0.082 -0.149) 0.261 21.005 ( -0.380 -0.305 -0.161) 0.513 21.127 ( 0.172 0.608 0.287) 0.694 21.130 ( -0.196 0.710 0.139) 0.750 21.142 ( 0.349 -0.766 0.118) 0.850 21.148 ( -0.277 -0.888 -0.058) 0.932 24.159 ( 0.503 0.040 -0.073) 0.510 24.161 ( 0.455 -0.140 -0.129) 0.493 24.169 ( -0.441 -0.050 -0.101) 0.455 24.171 ( -0.439 -0.185 -0.151) 0.500 32.160 ( 0.017 0.717 -0.006) 0.717 32.162 ( -0.170 0.727 -0.029) 0.747 32.176 ( 0.102 -0.819 0.125) 0.835 32.178 ( -0.109 -0.835 0.107) 0.849 41.629 ( 5.044 5.359 -6.748) 9.985 41.710 ( 4.675 -2.288 -7.757) 9.342 41.728 ( -4.400 4.577 -8.301) 10.451 41.806 ( -4.319 -2.771 -8.894) 10.268 42.658 ( 8.351 8.366 6.977) 13.726 42.716 ( 4.764 4.916 5.147) 8.565 42.948 ( -7.084 -6.411 7.435) 12.106 42.990 ( -9.094 -8.209 6.381) 13.814======================= Grid point 189 (61/80) =======================q-point: ( 0.00 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.026 ( 0.000 0.000 13.682) 13.682 1.176 ( 0.000 0.000 15.841) 15.841 1.285 ( 0.000 0.000 -10.868) 10.868 1.469 ( 0.000 0.000 -11.881) 11.881 2.110 ( 0.000 0.000 14.098) 14.098 2.160 ( 0.000 0.000 4.362) 4.362 2.208 ( 0.000 0.000 1.580) 1.580 2.231 ( 0.000 0.000 -0.589) 0.589 2.716 ( 0.000 0.000 6.183) 6.183 2.749 ( 0.000 0.000 4.338) 4.338 2.831 ( 0.000 0.000 -3.425) 3.425 2.848 ( 0.000 0.000 2.985) 2.985 2.848 ( 0.000 0.000 3.380) 3.380 2.867 ( 0.000 0.000 -3.423) 3.423 2.915 ( 0.000 0.000 -2.882) 2.882 3.066 ( 0.000 0.000 -17.191) 17.191 3.216 ( 0.000 0.000 7.998) 7.998 3.291 ( 0.000 0.000 0.645) 0.645 3.320 ( 0.000 0.000 -1.832) 1.832 3.324 ( 0.000 0.000 -2.077) 2.077 3.761 ( 0.000 0.000 5.673) 5.673 3.766 ( 0.000 0.000 7.587) 7.587 3.919 ( 0.000 0.000 4.617) 4.617 3.992 ( 0.000 0.000 -3.644) 3.644 4.102 ( 0.000 0.000 5.406) 5.406 4.204 ( 0.000 0.000 1.651) 1.651 4.264 ( 0.000 0.000 -10.365) 10.365 4.312 ( 0.000 0.000 -9.153) 9.153 4.429 ( 0.000 0.000 4.174) 4.174 4.508 ( 0.000 0.000 -2.790) 2.790 4.615 ( 0.000 0.000 1.843) 1.843 4.654 ( 0.000 0.000 -2.018) 2.018 4.865 ( 0.000 0.000 2.980) 2.980 4.924 ( 0.000 0.000 9.558) 9.558 4.943 ( 0.000 0.000 -4.094) 4.094 5.188 ( 0.000 0.000 -14.574) 14.574 20.949 ( 0.000 0.000 0.533) 0.533 20.960 ( 0.000 0.000 0.502) 0.502 20.961 ( 0.000 0.000 -0.561) 0.561 20.971 ( 0.000 0.000 -0.506) 0.506 21.139 ( 0.000 0.000 0.212) 0.212 21.142 ( 0.000 0.000 -0.135) 0.135 21.152 ( 0.000 0.000 0.747) 0.747 21.171 ( 0.000 0.000 -1.021) 1.021 24.141 ( 0.000 0.000 0.407) 0.407 24.150 ( 0.000 0.000 -0.424) 0.424 24.206 ( 0.000 0.000 0.069) 0.069 24.210 ( 0.000 0.000 -0.279) 0.279 32.173 ( 0.000 0.000 0.024) 0.024 32.175 ( 0.000 0.000 -0.059) 0.059 32.180 ( 0.000 0.000 0.274) 0.274 32.186 ( 0.000 0.000 -0.285) 0.285 40.786 ( 0.000 0.000 9.032) 9.032 40.979 ( 0.000 0.000 -9.106) 9.106 41.664 ( 0.000 0.000 7.565) 7.565 41.826 ( 0.000 0.000 -7.580) 7.580 42.122 ( 0.000 0.000 6.671) 6.671 42.265 ( 0.000 0.000 -6.933) 6.933 43.903 ( 0.000 0.000 10.065) 10.065 44.099 ( 0.000 0.000 -8.446) 8.446======================= Grid point 190 (62/80) =======================q-point: ( 0.14 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.082 ( 5.674 0.000 12.476) 13.706 1.293 ( 11.359 0.000 14.093) 18.101 1.320 ( 3.620 0.000 -10.104) 10.732 1.558 ( 8.783 0.000 -10.880) 13.982 2.153 ( 4.053 0.000 12.719) 13.350 2.157 ( -4.942 0.000 2.506) 5.541 2.198 ( -3.592 0.000 -1.374) 3.845 2.220 ( 5.470 0.000 4.626) 7.164 2.728 ( -1.698 0.000 7.435) 7.626 2.759 ( 0.920 0.000 4.092) 4.194 2.815 ( 0.228 0.000 2.843) 2.852 2.829 ( -0.114 0.000 -1.020) 1.027 2.857 ( 0.818 0.000 0.777) 1.129 2.887 ( 0.869 0.000 -2.328) 2.485 2.916 ( 0.109 0.000 -2.844) 2.847 3.041 ( -1.381 0.000 -15.384) 15.446 3.225 ( 0.840 0.000 5.591) 5.654 3.300 ( 0.889 0.000 0.482) 1.011 3.328 ( 0.389 0.000 -1.774) 1.816 3.332 ( 0.598 0.000 -3.847) 3.894 3.642 ( -6.537 0.000 8.016) 10.344 3.752 ( -3.992 0.000 -1.533) 4.276 3.959 ( 3.137 0.000 10.877) 11.320 4.055 ( 4.125 0.000 0.772) 4.196 4.089 ( -1.068 0.000 5.191) 5.299 4.193 ( -1.254 0.000 -0.846) 1.513 4.257 ( -1.395 0.000 -6.769) 6.911 4.317 ( 1.089 0.000 -12.943) 12.988 4.423 ( -0.518 0.000 3.551) 3.589 4.495 ( -1.088 0.000 -2.806) 3.009 4.642 ( 2.427 0.000 1.199) 2.707 4.666 ( 1.348 0.000 -1.176) 1.789 4.853 ( -1.252 0.000 3.150) 3.390 4.894 ( -2.778 0.000 8.562) 9.002 4.931 ( -1.160 0.000 -4.039) 4.202 5.136 ( -5.035 0.000 -13.414) 14.328 20.950 ( 0.040 0.000 0.541) 0.543 20.959 ( -0.086 0.000 0.350) 0.361 20.962 ( 0.085 0.000 -0.405) 0.414 20.971 ( -0.030 0.000 -0.520) 0.521 21.138 ( 0.003 0.000 0.284) 0.284 21.142 ( 0.072 0.000 -0.058) 0.092 21.159 ( 0.546 0.000 0.455) 0.710 21.173 ( 0.186 0.000 -0.863) 0.883 24.146 ( 0.433 0.000 0.311) 0.533 24.153 ( 0.291 0.000 -0.372) 0.472 24.204 ( -0.233 0.000 0.048) 0.238 24.207 ( -0.285 0.000 -0.243) 0.375 32.160 ( -0.627 0.000 0.107) 0.636 32.164 ( -0.596 0.000 -0.230) 0.639 32.199 ( 1.144 0.000 0.196) 1.161 32.202 ( 1.093 0.000 -0.114) 1.099 40.797 ( 1.125 0.000 8.420) 8.495 40.971 ( -0.801 0.000 -7.868) 7.908 41.670 ( 0.589 0.000 6.476) 6.503 41.816 ( -1.010 0.000 -7.115) 7.187 42.164 ( 4.308 0.000 6.512) 7.808 42.302 ( 3.627 0.000 -6.588) 7.520 43.850 ( -5.294 0.000 8.605) 10.103 44.009 ( -8.779 0.000 -6.239) 10.770======================= Grid point 191 (63/80) =======================q-point: ( 0.29 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.226 ( 8.917 0.000 9.560) 13.073 1.409 ( 5.152 0.000 -7.773) 9.326 1.561 ( 15.749 0.000 11.252) 19.356 1.772 ( 12.881 0.000 -8.387) 15.371 2.040 ( -6.817 0.000 3.478) 7.653 2.101 ( -6.308 0.000 -2.324) 6.722 2.215 ( 0.448 0.000 8.695) 8.706 2.319 ( 3.151 0.000 2.352) 3.932 2.638 ( -3.891 0.000 11.521) 12.160 2.780 ( 1.243 0.000 3.636) 3.843 2.826 ( -0.207 0.000 1.261) 1.278 2.864 ( -2.338 0.000 -1.635) 2.853 2.875 ( 1.042 0.000 -1.121) 1.530 2.898 ( 5.582 0.000 1.489) 5.777 2.917 ( -0.140 0.000 -2.735) 2.738 3.055 ( 1.072 0.000 -9.296) 9.357 3.249 ( 2.783 0.000 1.778) 3.302 3.321 ( 1.131 0.000 0.176) 1.145 3.334 ( 0.546 0.000 -5.212) 5.241 3.337 ( 0.507 0.000 -1.090) 1.202 3.554 ( -2.701 0.000 6.229) 6.789 3.668 ( -4.763 0.000 -4.033) 6.241 3.967 ( -2.306 0.000 14.035) 14.224 4.063 ( -1.056 0.000 6.295) 6.383 4.133 ( 2.134 0.000 3.470) 4.074 4.157 ( -1.772 0.000 -2.954) 3.445 4.212 ( -2.007 0.000 -6.508) 6.811 4.342 ( 0.546 0.000 -12.627) 12.639 4.416 ( -0.037 0.000 1.960) 1.961 4.471 ( -1.384 0.000 -2.897) 3.210 4.685 ( 2.008 0.000 1.616) 2.577 4.714 ( 3.392 0.000 -1.064) 3.555 4.820 ( -2.092 0.000 3.510) 4.086 4.845 ( -1.476 0.000 4.893) 5.110 4.899 ( -2.214 0.000 -3.766) 4.369 5.025 ( -5.988 0.000 -10.978) 12.505 20.951 ( 0.078 0.000 0.557) 0.562 20.957 ( -0.114 0.000 0.454) 0.468 20.964 ( 0.111 0.000 -0.496) 0.509 20.970 ( -0.065 0.000 -0.551) 0.555 21.140 ( 0.174 0.000 0.264) 0.316 21.144 ( 0.129 0.000 -0.089) 0.157 21.169 ( 0.465 0.000 0.236) 0.521 21.177 ( 0.143 0.000 -0.513) 0.532 24.156 ( 0.632 0.000 0.130) 0.646 24.161 ( 0.463 0.000 -0.249) 0.525 24.198 ( -0.399 0.000 -0.001) 0.399 24.200 ( -0.465 0.000 -0.175) 0.497 32.152 ( -0.254 0.000 0.059) 0.261 32.155 ( -0.315 0.000 -0.258) 0.408 32.218 ( 0.884 0.000 0.252) 0.920 32.221 ( 0.842 0.000 -0.019) 0.842 40.827 ( 1.977 0.000 6.581) 6.872 40.949 ( -1.585 0.000 -4.597) 4.863 41.687 ( 1.229 0.000 3.622) 3.825 41.789 ( -1.743 0.000 -5.690) 5.951 42.273 ( 6.690 0.000 5.646) 8.754 42.384 ( 4.370 0.000 -4.901) 6.566 43.726 ( -7.014 0.000 5.282) 8.780 43.810 ( -10.870 0.000 -2.384) 11.129======================= Grid point 192 (64/80) =======================q-point: ( 0.43 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.394 ( 7.855 0.000 5.183) 9.411 1.475 ( 0.278 0.000 -2.308) 2.324 1.855 ( 14.407 0.000 9.551) 17.286 1.940 ( -2.214 0.000 1.691) 2.786 1.980 ( -5.505 0.000 -1.983) 5.851 2.001 ( 7.532 0.000 -1.261) 7.636 2.143 ( -4.430 0.000 2.846) 5.265 2.263 ( -8.400 0.000 -5.025) 9.788 2.678 ( 7.054 0.000 14.308) 15.953 2.803 ( 1.063 0.000 3.196) 3.368 2.809 ( -4.834 0.000 6.101) 7.784 2.819 ( -0.615 0.000 2.554) 2.627 2.895 ( 0.949 0.000 -2.112) 2.315 2.910 ( -0.597 0.000 -2.542) 2.611 2.971 ( 2.544 0.000 -3.379) 4.229 3.026 ( -3.022 0.000 -4.952) 5.801 3.338 ( 0.651 0.000 -0.080) 0.656 3.344 ( 0.093 0.000 -0.456) 0.466 3.363 ( 7.757 0.000 -0.253) 7.761 3.392 ( 4.858 0.000 -2.399) 5.418 3.511 ( -2.473 0.000 0.909) 2.635 3.557 ( -6.930 0.000 -2.526) 7.376 3.934 ( 0.506 0.000 8.339) 8.355 4.000 ( -5.296 0.000 3.577) 6.391 4.115 ( 0.225 0.000 1.836) 1.850 4.139 ( -1.841 0.000 3.386) 3.854 4.249 ( 4.053 0.000 -4.857) 6.326 4.318 ( -2.860 0.000 -7.706) 8.220 4.424 ( 0.816 0.000 -0.161) 0.832 4.445 ( -1.346 0.000 -2.047) 2.450 4.726 ( 2.311 0.000 2.801) 3.631 4.766 ( -0.653 0.000 1.125) 1.301 4.792 ( 1.752 0.000 0.221) 1.766 4.849 ( -3.032 0.000 -3.038) 4.292 4.855 ( 2.402 0.000 -1.938) 3.086 4.924 ( -4.556 0.000 -7.568) 8.834 20.952 ( 0.109 0.000 0.558) 0.569 20.955 ( -0.123 0.000 0.527) 0.541 20.966 ( 0.116 0.000 -0.555) 0.567 20.968 ( -0.098 0.000 -0.570) 0.578 21.144 ( 0.173 0.000 0.121) 0.211 21.145 ( -0.001 0.000 -0.034) 0.034 21.175 ( 0.233 0.000 0.071) 0.244 21.178 ( -0.029 0.000 -0.165) 0.167 24.167 ( 0.456 0.000 -0.001) 0.456 24.169 ( 0.317 0.000 -0.113) 0.337 24.190 ( -0.303 0.000 -0.069) 0.311 24.191 ( -0.374 0.000 -0.128) 0.396 32.150 ( -0.002 0.000 -0.039) 0.039 32.151 ( -0.147 0.000 -0.173) 0.227 32.231 ( 0.382 0.000 0.235) 0.449 32.232 ( 0.248 0.000 0.114) 0.273 40.869 ( 2.352 0.000 3.557) 4.264 40.913 ( -2.182 0.000 -0.403) 2.219 41.716 ( 1.787 0.000 0.030) 1.787 41.753 ( -2.011 0.000 -3.264) 3.834 42.392 ( 5.047 0.000 3.156) 5.953 42.438 ( 0.544 0.000 -1.145) 1.267 43.622 ( -2.893 0.000 2.115) 3.583 43.645 ( -5.486 0.000 0.047) 5.486======================= Grid point 196 (65/80) =======================q-point: ( 0.00 0.11 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 128Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.208 ( 0.000 16.593 12.327) 20.671 1.217 ( 0.000 6.133 13.569) 14.891 1.479 ( 0.000 16.045 -9.641) 18.719 1.507 ( 0.000 3.871 -10.245) 10.952 2.097 ( 0.000 0.759 11.906) 11.930 2.182 ( 0.000 2.321 4.387) 4.963 2.289 ( 0.000 4.839 -0.339) 4.850 2.339 ( 0.000 9.294 -0.955) 9.343 2.733 ( 0.000 -1.513 3.172) 3.514 2.750 ( 0.000 -0.327 2.228) 2.251 2.799 ( 0.000 3.865 7.490) 8.428 2.824 ( 0.000 -1.387 2.425) 2.794 2.900 ( 0.000 2.012 -2.788) 3.438 2.945 ( 0.000 5.238 0.487) 5.260 2.979 ( 0.000 4.844 -2.184) 5.313 3.109 ( 0.000 4.431 -15.812) 16.421 3.215 ( 0.000 -0.073 7.708) 7.708 3.255 ( 0.000 -0.729 1.803) 1.945 3.326 ( 0.000 2.005 -3.068) 3.665 3.336 ( 0.000 0.875 -2.407) 2.561 3.742 ( 0.000 -2.693 6.636) 7.162 3.793 ( 0.000 0.976 5.701) 5.783 3.968 ( 0.000 -2.904 -2.028) 3.542 3.978 ( 0.000 3.920 2.065) 4.431 4.063 ( 0.000 -3.870 5.214) 6.493 4.140 ( 0.000 -5.616 3.131) 6.430 4.200 ( 0.000 -4.695 -7.559) 8.899 4.301 ( 0.000 0.566 -10.745) 10.760 4.434 ( 0.000 -0.234 4.131) 4.137 4.515 ( 0.000 0.002 -3.470) 3.470 4.590 ( 0.000 -2.449 1.432) 2.837 4.603 ( 0.000 -5.860 0.542) 5.885 4.705 ( 0.000 -9.527 0.109) 9.528 4.726 ( 0.000 -6.348 -2.368) 6.776 5.136 ( 0.000 7.807 5.837) 9.747 5.327 ( 0.000 7.902 -11.694) 14.113 20.953 ( 0.000 0.339 0.422) 0.541 20.963 ( 0.000 0.052 -0.471) 0.474 20.967 ( 0.000 0.671 0.589) 0.892 20.980 ( 0.000 0.997 -0.701) 1.219 21.134 ( 0.000 -0.589 0.174) 0.615 21.138 ( 0.000 -0.391 -0.183) 0.432 21.148 ( 0.000 -0.086 0.953) 0.957 21.169 ( 0.000 -0.131 -1.010) 1.018 24.141 ( 0.000 -0.027 0.380) 0.381 24.149 ( 0.000 -0.084 -0.396) 0.405 24.203 ( 0.000 -0.320 0.020) 0.321 24.205 ( 0.000 -0.447 -0.172) 0.479 32.171 ( 0.000 -0.188 0.029) 0.191 32.173 ( 0.000 -0.172 -0.088) 0.193 32.179 ( 0.000 -0.069 0.276) 0.285 32.185 ( 0.000 -0.101 -0.258) 0.277 40.933 ( 0.000 13.208 4.196) 13.858 41.058 ( 0.000 7.352 -7.041) 10.180 41.642 ( 0.000 -1.931 6.735) 7.007 41.797 ( 0.000 -2.476 -7.917) 8.295 42.171 ( 0.000 4.542 6.986) 8.333 42.311 ( 0.000 4.257 -6.329) 7.628 43.839 ( 0.000 -6.164 9.611) 11.418 44.017 ( 0.000 -7.752 -7.070) 10.492======================= Grid point 197 (66/80) =======================q-point: ( 0.14 0.11 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 221Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.234 ( 4.371 12.439 11.973) 17.810 1.332 ( 9.342 8.620 10.102) 16.236 1.510 ( 4.173 13.148 -7.706) 15.801 1.601 ( 8.707 5.501 -9.042) 13.705 2.134 ( 2.675 1.391 10.152) 10.590 2.229 ( 2.860 2.573 4.500) 5.920 2.247 ( -3.855 5.191 0.608) 6.494 2.313 ( -0.857 8.028 -1.029) 8.139 2.740 ( 0.689 -1.826 3.128) 3.687 2.760 ( -1.274 -2.046 1.970) 3.113 2.777 ( -1.047 4.364 8.274) 9.413 2.845 ( 1.917 -0.322 1.142) 2.254 2.891 ( 0.357 2.497 -2.444) 3.512 2.948 ( -0.152 4.659 2.114) 5.119 2.972 ( -0.041 5.005 -3.502) 6.108 3.114 ( 0.551 6.766 -12.706) 14.406 3.193 ( -0.689 -1.983 4.062) 4.572 3.264 ( -1.177 -1.232 -1.309) 2.149 3.315 ( 2.116 1.543 1.024) 2.812 3.381 ( 2.065 2.467 -3.527) 4.774 3.679 ( -4.572 1.888 7.486) 8.972 3.778 ( -2.529 0.737 -0.161) 2.639 3.953 ( 0.351 -1.784 7.753) 7.963 4.034 ( 1.983 -3.498 1.143) 4.180 4.067 ( -0.251 0.570 5.859) 5.892 4.135 ( 0.467 -7.010 -1.085) 7.109 4.191 ( -0.529 -5.975 -6.797) 9.065 4.262 ( -3.940 -2.071 -10.087) 11.026 4.430 ( -0.265 -0.033 3.591) 3.600 4.508 ( -0.546 0.614 -3.575) 3.668 4.616 ( 1.575 -3.874 0.548) 4.218 4.622 ( 2.578 -3.330 0.340) 4.225 4.705 ( 0.136 -8.327 0.599) 8.350 4.738 ( 1.239 -5.200 -2.526) 5.913 5.102 ( -3.461 7.281 4.983) 9.478 5.271 ( -5.620 7.692 -10.475) 14.159 20.953 ( 0.041 0.340 0.413) 0.537 20.962 ( -0.072 0.133 -0.200) 0.250 20.967 ( 0.052 0.573 0.298) 0.648 20.979 ( -0.115 0.919 -0.652) 1.133 21.137 ( 0.244 -0.508 0.175) 0.590 21.139 ( 0.148 -0.101 0.009) 0.179 21.152 ( 0.337 -0.408 0.677) 0.859 21.170 ( 0.052 -0.215 -0.921) 0.947 24.145 ( 0.409 -0.051 0.296) 0.508 24.152 ( 0.283 -0.092 -0.350) 0.459 24.201 ( -0.223 -0.312 0.007) 0.384 24.203 ( -0.256 -0.422 -0.152) 0.517 32.159 ( -0.634 -0.106 0.086) 0.649 32.162 ( -0.621 -0.152 -0.200) 0.670 32.196 ( 1.054 -0.248 0.223) 1.106 32.200 ( 1.012 -0.223 -0.127) 1.044 40.938 ( 0.578 12.781 4.127) 13.443 41.053 ( -0.572 7.582 -6.100) 9.748 41.652 ( 1.074 -1.552 5.775) 6.075 41.794 ( -0.447 -2.006 -7.423) 7.702 42.206 ( 3.651 3.997 6.733) 8.640 42.340 ( 2.897 3.632 -5.989) 7.580 43.787 ( -5.125 -6.006 8.282) 11.443 43.933 ( -8.208 -7.194 -5.222) 12.099======================= Grid point 198 (67/80) =======================q-point: ( 0.29 0.11 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 221Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.357 ( 8.121 11.464 9.430) 16.920 1.509 ( 7.654 9.321 -1.097) 12.111 1.656 ( 11.373 8.691 3.607) 14.761 1.808 ( 12.267 4.162 -7.073) 14.760 2.094 ( -6.265 4.655 4.296) 8.909 2.160 ( -5.977 5.336 -1.363) 8.127 2.245 ( 0.195 3.066 7.259) 7.882 2.363 ( 1.888 3.763 -1.689) 4.536 2.681 ( -2.751 4.045 11.516) 12.512 2.761 ( 1.065 -1.497 4.002) 4.404 2.791 ( 0.981 -2.107 0.189) 2.332 2.881 ( 0.510 0.396 -2.394) 2.479 2.910 ( 1.703 2.400 -0.635) 3.011 2.939 ( -0.015 4.330 -0.698) 4.385 2.993 ( 1.571 7.074 2.034) 7.526 3.126 ( -0.269 6.507 -5.958) 8.826 3.204 ( 2.347 -2.335 0.421) 3.337 3.258 ( 1.644 -2.173 -2.429) 3.650 3.369 ( 3.456 3.551 -1.069) 5.069 3.402 ( 0.172 2.682 -3.171) 4.157 3.602 ( -3.327 4.040 6.821) 8.598 3.717 ( -3.729 3.517 -3.968) 6.482 3.923 ( -3.601 -4.676 12.378) 13.714 4.019 ( -2.185 -3.853 4.302) 6.174 4.092 ( 1.699 -4.616 3.131) 5.831 4.123 ( -2.693 -3.167 -2.308) 4.755 4.160 ( -3.316 -3.760 -7.402) 8.940 4.221 ( 1.535 -9.788 -7.289) 12.300 4.431 ( 0.489 0.798 2.245) 2.432 4.496 ( -0.810 1.771 -3.607) 4.099 4.649 ( 1.853 -3.334 0.661) 3.871 4.675 ( 2.169 -4.027 -1.365) 4.774 4.721 ( 2.122 -4.336 1.912) 5.193 4.774 ( 2.532 -2.320 -3.227) 4.712 5.017 ( -5.096 5.523 3.036) 8.105 5.136 ( -7.973 6.498 -7.939) 12.993 20.955 ( 0.080 0.345 0.393) 0.529 20.960 ( -0.086 0.228 0.106) 0.266 20.968 ( 0.072 0.462 -0.052) 0.470 20.976 ( -0.172 0.730 -0.548) 0.929 21.142 ( 0.323 -0.291 0.187) 0.473 21.143 ( 0.270 0.256 0.163) 0.406 21.159 ( 0.338 -0.817 0.313) 0.938 21.170 ( -0.037 -0.430 -0.678) 0.804 24.155 ( 0.608 -0.100 0.133) 0.630 24.159 ( 0.452 -0.111 -0.239) 0.523 24.195 ( -0.388 -0.292 -0.027) 0.486 24.196 ( -0.430 -0.367 -0.116) 0.577 32.150 ( -0.295 -0.150 0.039) 0.333 32.153 ( -0.351 -0.206 -0.214) 0.459 32.214 ( 0.822 -0.396 0.265) 0.950 32.217 ( 0.763 -0.383 -0.024) 0.854 40.955 ( 1.155 11.700 3.556) 12.283 41.036 ( -1.151 8.192 -3.637) 9.036 41.680 ( 1.742 -0.720 3.169) 3.687 41.779 ( -1.151 -1.016 -5.904) 6.100 42.301 ( 5.948 2.811 5.731) 8.725 42.408 ( 3.675 2.411 -4.415) 6.230 43.666 ( -6.836 -5.699 5.232) 10.323 43.745 ( -10.349 -6.187 -1.897) 12.206======================= Grid point 199 (68/80) =======================q-point: ( 0.43 0.11 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 221Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.517 ( 7.770 10.759 5.342) 14.306 1.597 ( 0.636 10.823 -1.788) 10.988 1.887 ( 10.531 3.526 8.499) 13.984 1.967 ( -1.061 3.162 2.086) 3.935 2.043 ( 0.749 5.318 -2.230) 5.815 2.059 ( 1.915 5.177 -0.305) 5.528 2.186 ( -3.961 4.099 1.669) 5.939 2.293 ( -8.182 2.744 -5.350) 10.153 2.719 ( 4.906 3.023 11.693) 13.036 2.772 ( -0.366 -1.672 5.110) 5.389 2.816 ( 1.792 0.457 1.029) 2.116 2.864 ( -2.275 3.332 1.096) 4.180 2.935 ( 0.204 4.002 -0.321) 4.020 2.939 ( -0.111 2.688 -1.398) 3.032 3.023 ( 2.272 5.307 -0.979) 5.855 3.082 ( -3.466 5.540 -3.242) 7.294 3.276 ( 3.893 -2.695 2.195) 5.219 3.315 ( 1.270 -1.517 -1.125) 2.276 3.415 ( 3.125 2.487 -0.438) 4.018 3.449 ( 3.773 4.626 -2.713) 6.557 3.548 ( -1.719 3.786 1.971) 4.601 3.621 ( -6.393 5.438 -3.669) 9.160 3.877 ( 0.316 -5.405 6.812) 8.702 3.944 ( -5.576 -5.109 1.687) 7.749 4.064 ( -0.540 -5.210 1.245) 5.384 4.081 ( -1.793 -5.242 2.056) 5.909 4.186 ( 3.046 -5.540 -3.372) 7.165 4.229 ( -1.065 -7.464 -5.037) 9.067 4.449 ( 1.311 1.878 0.327) 2.314 4.476 ( -1.312 2.297 -1.983) 3.306 4.680 ( 1.264 -3.539 0.279) 3.768 4.693 ( 0.014 -4.528 -0.620) 4.570 4.788 ( 4.155 -0.352 0.611) 4.215 4.827 ( 1.910 0.785 -3.193) 3.803 4.932 ( -2.369 2.815 0.227) 3.686 4.991 ( -6.696 3.999 -5.351) 9.458 20.956 ( 0.104 0.344 0.361) 0.510 20.958 ( -0.102 0.308 0.285) 0.432 20.970 ( 0.122 0.429 -0.287) 0.530 20.973 ( -0.169 0.532 -0.433) 0.706 21.147 ( 0.168 0.062 0.210) 0.276 21.148 ( 0.140 0.329 0.198) 0.409 21.164 ( 0.240 -0.962 -0.011) 0.992 21.168 ( -0.174 -0.732 -0.353) 0.831 24.166 ( 0.454 -0.128 0.005) 0.472 24.168 ( 0.316 -0.124 -0.113) 0.358 24.187 ( -0.316 -0.287 -0.071) 0.433 24.188 ( -0.354 -0.322 -0.094) 0.488 32.147 ( -0.035 -0.216 -0.042) 0.223 32.148 ( -0.149 -0.242 -0.147) 0.320 32.226 ( 0.358 -0.483 0.234) 0.645 32.227 ( 0.222 -0.483 0.112) 0.543 40.981 ( 1.531 10.364 1.980) 10.662 41.010 ( -1.531 9.129 -0.608) 9.277 41.715 ( 1.944 -0.136 -0.211) 1.960 41.751 ( -1.735 -0.248 -3.420) 3.843 42.409 ( 4.684 1.864 3.238) 5.991 42.453 ( 0.363 1.685 -0.890) 1.940 43.565 ( -2.841 -5.510 2.277) 6.604 43.587 ( -5.301 -5.598 0.311) 7.715======================= Grid point 203 (69/80) =======================q-point: ( 0.00 0.22 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 128Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.405 ( 0.000 11.781 12.335) 17.057 1.582 ( 0.000 14.876 11.599) 18.863 1.644 ( 0.000 14.197 -7.621) 16.113 1.845 ( 0.000 19.596 -10.353) 22.162 2.137 ( 0.000 2.787 9.842) 10.229 2.257 ( 0.000 5.457 2.953) 6.204 2.365 ( 0.000 1.395 1.225) 1.857 2.494 ( 0.000 5.695 -5.387) 7.839 2.698 ( 0.000 -1.813 1.511) 2.360 2.702 ( 0.000 -2.995 0.130) 2.998 2.765 ( 0.000 -4.034 4.669) 6.170 2.878 ( 0.000 -3.786 -4.210) 5.662 2.971 ( 0.000 9.023 10.162) 13.590 3.043 ( 0.000 4.550 0.638) 4.594 3.091 ( 0.000 7.495 -0.262) 7.500 3.192 ( 0.000 -0.547 0.795) 0.965 3.279 ( 0.000 10.199 -3.097) 10.659 3.328 ( 0.000 7.187 0.910) 7.244 3.364 ( 0.000 2.587 -1.107) 2.813 3.433 ( 0.000 7.946 -5.393) 9.603 3.648 ( 0.000 -6.524 7.430) 9.888 3.746 ( 0.000 -6.199 1.164) 6.307 3.862 ( 0.000 -10.659 -2.185) 10.881 3.863 ( 0.000 -6.869 -3.817) 7.858 3.971 ( 0.000 -3.912 4.488) 5.953 4.087 ( 0.000 -5.378 -4.790) 7.202 4.227 ( 0.000 10.013 6.264) 11.811 4.369 ( 0.000 -0.755 -0.758) 1.069 4.406 ( 0.000 4.226 -5.254) 6.743 4.438 ( 0.000 -5.878 -1.663) 6.109 4.516 ( 0.000 -5.213 1.599) 5.453 4.529 ( 0.000 -2.475 -0.541) 2.533 4.605 ( 0.000 -0.730 0.229) 0.765 4.658 ( 0.000 -1.762 -4.504) 4.836 5.229 ( 0.000 1.415 7.794) 7.921 5.413 ( 0.000 0.414 -9.246) 9.255 20.963 ( 0.000 0.644 0.066) 0.647 20.965 ( 0.000 0.274 -0.185) 0.331 20.983 ( 0.000 0.888 0.823) 1.210 21.003 ( 0.000 1.040 -0.973) 1.424 21.121 ( 0.000 -0.440 0.406) 0.599 21.129 ( 0.000 -0.364 -0.338) 0.497 21.148 ( 0.000 -0.108 0.780) 0.788 21.165 ( 0.000 -0.348 -0.822) 0.892 24.141 ( 0.000 -0.022 0.306) 0.306 24.147 ( 0.000 -0.120 -0.324) 0.346 24.195 ( 0.000 -0.528 -0.040) 0.530 24.195 ( 0.000 -0.445 -0.065) 0.450 32.167 ( 0.000 -0.134 0.031) 0.138 32.169 ( 0.000 -0.136 -0.108) 0.174 32.178 ( 0.000 -0.059 0.262) 0.269 32.183 ( 0.000 -0.091 -0.227) 0.244 41.220 ( 0.000 13.637 -2.932) 13.949 41.231 ( 0.000 8.980 -3.108) 9.503 41.607 ( 0.000 -0.969 4.768) 4.865 41.745 ( 0.000 -2.381 -8.125) 8.466 42.280 ( 0.000 5.992 7.176) 9.349 42.411 ( 0.000 5.225 -5.210) 7.379 43.684 ( 0.000 -8.700 8.575) 12.216 43.825 ( 0.000 -10.678 -4.437) 11.564======================= Grid point 204 (70/80) =======================q-point: ( 0.14 0.22 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 221Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.464 ( 5.809 11.763 11.567) 17.490 1.634 ( 5.088 15.846 13.154) 21.213 1.692 ( 5.082 10.705 -9.703) 15.316 1.876 ( 3.359 17.846 -9.204) 20.359 2.184 ( 3.824 3.141 8.473) 9.813 2.303 ( 3.338 5.047 3.765) 7.126 2.335 ( -2.973 2.284 0.769) 3.827 2.460 ( -2.315 6.268 -4.554) 8.086 2.689 ( -0.567 -2.985 2.589) 3.992 2.710 ( 0.997 -2.539 0.219) 2.736 2.802 ( 2.878 -3.829 2.475) 5.392 2.877 ( -1.186 -1.582 -2.429) 3.132 2.924 ( -2.663 5.494 6.655) 9.031 3.037 ( -1.078 4.023 -2.526) 4.871 3.114 ( 2.386 7.480 4.256) 8.931 3.191 ( 0.873 3.786 2.139) 4.435 3.283 ( 0.265 8.065 -1.052) 8.138 3.325 ( -2.484 6.215 -3.234) 7.434 3.384 ( 3.999 6.739 -1.231) 7.932 3.449 ( 0.881 4.279 -4.416) 6.212 3.658 ( 0.885 -4.182 7.334) 8.489 3.736 ( -0.878 -4.959 1.283) 5.197 3.837 ( -1.111 -8.255 0.215) 8.332 3.906 ( 2.183 -8.623 -4.938) 10.174 3.966 ( -0.326 -5.634 2.887) 6.339 4.060 ( -2.659 -5.654 -4.019) 7.429 4.180 ( -4.280 7.069 4.915) 9.615 4.292 ( -7.150 3.534 -4.715) 9.265 4.394 ( 1.215 -3.050 3.300) 4.655 4.484 ( 2.135 -1.721 -4.854) 5.575 4.552 ( 2.365 -1.919 0.337) 3.064 4.557 ( 3.170 -4.252 0.106) 5.305 4.615 ( 1.026 -0.751 0.613) 1.411 4.675 ( 1.910 -1.918 -4.520) 5.268 5.188 ( -4.174 1.269 7.118) 8.349 5.356 ( -5.754 0.586 -8.409) 10.206 20.963 ( 0.030 0.618 0.056) 0.622 20.965 ( -0.001 0.300 -0.153) 0.337 20.983 ( -0.052 0.854 0.727) 1.122 21.000 ( -0.251 1.004 -0.879) 1.358 21.124 ( 0.275 -0.512 0.441) 0.730 21.132 ( 0.317 -0.427 -0.355) 0.639 21.149 ( 0.070 -0.097 0.763) 0.773 21.165 ( 0.013 -0.311 -0.797) 0.856 24.144 ( 0.351 -0.057 0.250) 0.434 24.150 ( 0.261 -0.133 -0.291) 0.413 24.193 ( -0.212 -0.496 -0.034) 0.541 24.193 ( -0.201 -0.446 -0.071) 0.495 32.157 ( -0.607 0.002 0.060) 0.610 32.160 ( -0.613 -0.023 -0.158) 0.633 32.190 ( 0.810 -0.318 0.235) 0.901 32.194 ( 0.774 -0.324 -0.142) 0.851 41.214 ( -0.317 11.911 -1.544) 12.014 41.239 ( 0.391 11.150 -3.784) 11.781 41.622 ( 1.501 -1.117 4.184) 4.583 41.749 ( 0.309 -2.162 -7.705) 8.008 42.307 ( 2.797 5.767 6.859) 9.387 42.430 ( 1.938 4.953 -4.800) 7.165 43.635 ( -4.861 -8.614 7.557) 12.447 43.753 ( -7.103 -10.107 -3.240) 12.771======================= Grid point 205 (71/80) =======================q-point: ( 0.29 0.22 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 221Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.602 ( 8.121 12.339 9.591) 17.612 1.754 ( 6.803 14.250 7.584) 17.517 1.824 ( 8.287 7.530 -5.080) 12.296 1.976 ( 7.022 12.308 -6.704) 15.676 2.189 ( -4.319 4.472 5.223) 8.120 2.266 ( -4.433 4.190 0.172) 6.102 2.331 ( -0.043 5.380 4.368) 6.930 2.446 ( -1.148 4.510 -4.582) 6.531 2.688 ( 0.883 -2.756 4.271) 5.159 2.748 ( 2.481 -2.112 -0.777) 3.349 2.808 ( -1.536 3.682 7.626) 8.607 2.869 ( 2.919 -1.558 -0.351) 3.328 2.934 ( 2.311 -0.119 -0.256) 2.328 3.016 ( -0.744 2.325 -5.325) 5.858 3.166 ( 2.428 6.883 7.269) 10.301 3.219 ( 0.725 7.265 3.833) 8.246 3.277 ( -0.566 5.779 -0.803) 5.862 3.301 ( 1.136 7.751 -3.506) 8.583 3.447 ( 0.548 2.597 -2.442) 3.607 3.476 ( 4.144 7.129 -4.278) 9.290 3.670 ( -0.113 1.174 6.479) 6.585 3.722 ( -0.090 -4.011 0.912) 4.114 3.794 ( -3.807 -6.403 3.372) 8.177 3.926 ( -0.552 -5.567 -2.907) 6.304 3.958 ( -1.356 -7.607 -2.125) 8.013 4.003 ( -2.743 -7.093 -3.489) 8.367 4.098 ( -3.408 0.393 2.510) 4.251 4.153 ( -6.396 1.743 -2.609) 7.124 4.429 ( 2.306 -0.893 2.839) 3.765 4.512 ( 0.643 -0.447 -4.730) 4.795 4.594 ( 1.923 -1.850 0.554) 2.725 4.614 ( 1.760 -1.971 -1.001) 2.826 4.658 ( 4.493 -2.287 2.283) 5.535 4.735 ( 4.478 -2.036 -4.773) 6.854 5.080 ( -6.875 0.642 5.449) 8.796 5.210 ( -9.118 0.631 -6.546) 11.242 20.964 ( 0.073 0.585 0.037) 0.591 20.965 ( 0.020 0.350 -0.072) 0.358 20.982 ( -0.039 0.775 0.471) 0.908 20.994 ( -0.383 0.898 -0.638) 1.167 21.131 ( 0.416 -0.656 0.487) 0.917 21.139 ( 0.358 -0.703 -0.287) 0.839 21.150 ( 0.132 0.059 0.605) 0.622 21.165 ( -0.098 -0.207 -0.695) 0.732 24.153 ( 0.543 -0.130 0.131) 0.573 24.157 ( 0.425 -0.161 -0.212) 0.501 24.187 ( -0.369 -0.458 -0.027) 0.589 24.188 ( -0.363 -0.412 -0.081) 0.556 32.148 ( -0.356 0.013 0.018) 0.356 32.150 ( -0.405 -0.013 -0.150) 0.432 32.204 ( 0.633 -0.586 0.255) 0.899 32.207 ( 0.560 -0.597 -0.041) 0.820 41.212 ( 0.163 11.693 -0.502) 11.704 41.240 ( -0.281 12.020 -3.063) 12.408 41.661 ( 2.430 -1.117 2.177) 3.449 41.752 ( -0.158 -1.574 -6.267) 6.464 42.382 ( 4.878 5.260 5.786) 9.216 42.478 ( 2.760 4.513 -3.305) 6.238 43.519 ( -6.654 -8.571 5.163) 12.016 43.587 ( -9.414 -9.159 -0.918) 13.166======================= Grid point 206 (72/80) =======================q-point: ( 0.43 0.22 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 221Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.754 ( 7.408 12.214 6.205) 15.575 1.838 ( 0.284 12.384 0.380) 12.393 1.989 ( 7.777 6.082 5.650) 11.375 2.063 ( -1.403 5.984 1.884) 6.428 2.152 ( 3.655 5.786 -1.552) 7.018 2.184 ( -2.610 6.794 0.448) 7.292 2.286 ( -2.724 5.424 -0.823) 6.125 2.361 ( -6.825 4.046 -4.700) 9.222 2.718 ( 1.619 -2.241 4.444) 5.234 2.743 ( -1.223 -1.689 3.585) 4.148 2.873 ( 4.877 3.871 1.706) 6.456 2.914 ( 0.783 1.241 -1.541) 2.128 2.979 ( 2.077 0.462 0.198) 2.137 3.011 ( -0.421 1.287 -1.131) 1.764 3.177 ( 0.585 9.254 3.720) 9.991 3.225 ( -2.856 7.475 -0.100) 8.003 3.272 ( 3.550 3.445 4.656) 6.793 3.337 ( -1.172 4.567 -1.494) 4.946 3.476 ( 4.498 3.877 1.446) 6.112 3.550 ( 0.628 5.514 -2.884) 6.254 3.650 ( 0.109 5.396 3.596) 6.485 3.709 ( -3.980 -0.351 0.242) 4.003 3.750 ( 2.927 -4.783 0.324) 5.617 3.851 ( -6.750 -1.374 -5.532) 8.835 3.930 ( -0.147 -6.785 0.545) 6.808 3.955 ( -2.425 -6.911 -1.367) 7.450 4.070 ( 0.365 -5.128 -0.309) 5.150 4.088 ( -1.357 -5.260 -1.587) 5.659 4.475 ( 2.249 0.249 1.078) 2.507 4.508 ( -1.093 0.434 -1.795) 2.146 4.620 ( 0.884 -2.293 -0.414) 2.492 4.629 ( 0.074 -1.969 -1.001) 2.210 4.773 ( 6.910 -1.277 2.192) 7.361 4.837 ( 4.872 -0.245 -3.672) 6.106 4.948 ( -5.232 -1.194 2.739) 6.025 5.031 ( -9.141 -0.258 -4.676) 10.271 20.965 ( 0.055 0.544 0.037) 0.548 20.966 ( 0.014 0.435 0.015) 0.435 20.982 ( 0.127 0.718 0.093) 0.735 20.987 ( -0.338 0.769 -0.308) 0.895 21.138 ( 0.344 -0.798 0.467) 0.987 21.143 ( -0.061 -0.933 0.237) 0.965 21.155 ( 0.345 0.171 -0.066) 0.390 21.161 ( -0.280 -0.044 -0.484) 0.561 24.163 ( 0.449 -0.179 0.020) 0.484 24.164 ( 0.320 -0.173 -0.116) 0.382 24.180 ( -0.326 -0.430 -0.037) 0.541 24.180 ( -0.343 -0.397 -0.084) 0.531 32.144 ( -0.088 -0.024 -0.040) 0.100 32.145 ( -0.160 -0.037 -0.104) 0.194 32.213 ( 0.283 -0.755 0.208) 0.833 32.214 ( 0.150 -0.762 0.091) 0.781 41.219 ( 0.529 11.881 -0.538) 11.905 41.230 ( -0.633 12.094 -1.580) 12.214 41.706 ( 2.201 -0.892 -0.799) 2.505 41.739 ( -1.213 -1.004 -3.825) 4.136 42.474 ( 4.109 4.867 3.461) 7.249 42.513 ( 0.267 4.568 -0.227) 4.581 43.419 ( -2.856 -8.776 2.687) 9.612 43.439 ( -5.071 -8.839 0.871) 10.227======================= Grid point 210 (73/80) =======================q-point: ( 0.00 0.33 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 128Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.647 ( 0.000 11.917 9.208) 15.060 1.773 ( 0.000 8.778 0.282) 8.782 1.977 ( 0.000 10.403 9.902) 14.362 2.201 ( 0.000 14.838 -7.175) 16.482 2.231 ( 0.000 9.114 3.516) 9.769 2.309 ( 0.000 -6.347 1.802) 6.598 2.402 ( 0.000 8.357 2.905) 8.848 2.580 ( 0.000 2.935 -7.160) 7.739 2.637 ( 0.000 -2.625 1.895) 3.238 2.664 ( 0.000 -0.969 -0.559) 1.119 2.723 ( 0.000 0.754 4.777) 4.836 2.804 ( 0.000 -2.284 -2.415) 3.325 3.065 ( 0.000 0.987 4.286) 4.398 3.117 ( 0.000 2.276 1.641) 2.806 3.138 ( 0.000 -4.205 2.553) 4.919 3.207 ( 0.000 -0.079 -2.139) 2.140 3.411 ( 0.000 -2.662 4.645) 5.353 3.467 ( 0.000 5.686 -0.221) 5.691 3.476 ( 0.000 1.942 -3.593) 4.084 3.506 ( 0.000 -2.300 -2.735) 3.574 3.581 ( 0.000 4.863 5.457) 7.310 3.673 ( 0.000 5.310 -3.041) 6.119 3.725 ( 0.000 -0.582 -2.495) 2.562 3.774 ( 0.000 0.478 -5.607) 5.627 3.930 ( 0.000 -0.497 1.020) 1.135 3.991 ( 0.000 -3.670 -3.881) 5.341 4.284 ( 0.000 -4.195 3.211) 5.283 4.341 ( 0.000 -4.088 -1.681) 4.421 4.384 ( 0.000 -7.826 1.715) 8.011 4.425 ( 0.000 -2.173 0.669) 2.274 4.459 ( 0.000 6.979 2.871) 7.547 4.577 ( 0.000 7.319 -4.067) 8.373 4.632 ( 0.000 4.058 -1.666) 4.387 4.644 ( 0.000 -0.036 -2.019) 2.020 5.200 ( 0.000 -3.848 8.171) 9.032 5.353 ( 0.000 -5.903 -6.065) 8.463 20.975 ( 0.000 0.704 0.093) 0.710 20.979 ( 0.000 0.959 -0.239) 0.988 20.997 ( 0.000 0.420 0.807) 0.910 21.015 ( 0.000 0.150 -0.797) 0.811 21.122 ( 0.000 0.407 0.154) 0.436 21.126 ( 0.000 0.044 -0.231) 0.235 21.142 ( 0.000 -0.451 0.576) 0.731 21.155 ( 0.000 -0.669 -0.604) 0.901 24.140 ( 0.000 0.016 0.198) 0.199 24.145 ( 0.000 -0.115 -0.218) 0.247 24.186 ( 0.000 -0.369 -0.017) 0.369 24.187 ( 0.000 -0.365 -0.112) 0.382 32.167 ( 0.000 0.047 0.041) 0.062 32.168 ( 0.000 0.048 -0.106) 0.116 32.177 ( 0.000 -0.063 0.233) 0.242 32.181 ( 0.000 -0.122 -0.189) 0.225 41.376 ( 0.000 5.076 -0.827) 5.143 41.405 ( 0.000 4.419 -3.303) 5.517 41.631 ( 0.000 3.539 -0.159) 3.542 41.716 ( 0.000 -0.370 -7.263) 7.272 42.395 ( 0.000 5.357 6.270) 8.247 42.499 ( 0.000 3.233 -3.602) 4.840 43.527 ( 0.000 -6.439 7.042) 9.542 43.625 ( 0.000 -8.909 -1.978) 9.126======================= Grid point 211 (74/80) =======================q-point: ( 0.14 0.33 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 221Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.704 ( 5.687 11.953 8.863) 15.931 1.826 ( 5.227 8.404 1.417) 9.998 1.991 ( 1.484 11.102 7.168) 13.299 2.202 ( 0.040 13.127 -8.227) 15.492 2.254 ( 1.964 3.650 4.546) 6.152 2.317 ( 0.393 -1.705 2.361) 2.939 2.436 ( 2.749 7.988 2.429) 8.790 2.568 ( -0.609 4.278 -5.259) 6.806 2.636 ( -0.123 -1.950 2.441) 3.127 2.667 ( 0.460 -1.087 -0.235) 1.203 2.730 ( 1.216 -1.912 3.910) 4.519 2.822 ( 1.499 -1.604 -3.412) 4.057 3.005 ( -4.343 1.822 4.407) 6.450 3.078 ( -3.155 -0.390 -2.918) 4.315 3.158 ( 2.560 -1.054 6.390) 6.964 3.280 ( 4.725 -1.833 -4.007) 6.461 3.389 ( -1.713 -0.257 4.701) 5.010 3.443 ( -0.248 3.825 1.195) 4.015 3.494 ( -0.400 0.262 -1.211) 1.302 3.554 ( 4.790 5.020 -5.155) 8.644 3.593 ( 1.115 0.130 4.064) 4.216 3.652 ( -1.660 2.426 -1.814) 3.455 3.753 ( 2.408 2.087 -1.629) 3.579 3.808 ( 2.982 1.596 -5.192) 6.196 3.909 ( -2.231 -0.555 0.947) 2.487 3.962 ( -2.970 -3.680 -3.396) 5.822 4.252 ( -3.655 -1.092 2.998) 4.851 4.297 ( -3.162 -3.342 -0.479) 4.626 4.410 ( 0.224 0.101 2.573) 2.584 4.448 ( 2.628 -1.237 2.152) 3.615 4.475 ( 2.731 -3.524 -1.599) 4.737 4.547 ( -1.986 4.782 -4.263) 6.707 4.631 ( 0.670 1.311 0.857) 1.703 4.676 ( 1.782 2.504 -3.453) 4.622 5.158 ( -4.229 -3.751 7.629) 9.495 5.302 ( -5.243 -5.541 -5.651) 9.493 20.975 ( -0.010 0.693 0.102) 0.700 20.979 ( -0.010 0.922 -0.244) 0.954 20.996 ( -0.084 0.417 0.726) 0.842 21.013 ( -0.240 0.186 -0.750) 0.809 21.122 ( 0.064 0.280 0.251) 0.381 21.128 ( 0.126 -0.031 -0.244) 0.277 21.144 ( 0.177 -0.391 0.553) 0.700 21.156 ( 0.117 -0.620 -0.585) 0.860 24.143 ( 0.287 -0.013 0.168) 0.333 24.147 ( 0.238 -0.125 -0.201) 0.336 24.184 ( -0.183 -0.359 -0.016) 0.404 24.185 ( -0.182 -0.358 -0.111) 0.416 32.160 ( -0.469 0.237 0.069) 0.530 32.162 ( -0.471 0.243 -0.140) 0.548 32.183 ( 0.468 -0.353 0.213) 0.624 32.187 ( 0.432 -0.382 -0.136) 0.592 41.376 ( 0.333 5.551 -0.033) 5.561 41.427 ( 1.701 5.332 -4.797) 7.371 41.630 ( 0.091 2.439 0.632) 2.522 41.720 ( 0.267 -0.661 -7.154) 7.189 42.422 ( 2.904 5.621 6.036) 8.744 42.519 ( 2.136 3.620 -3.154) 5.255 43.477 ( -5.030 -6.654 6.425) 10.529 43.562 ( -6.361 -8.637 -1.323) 10.808======================= Grid point 212 (75/80) =======================q-point: ( 0.29 0.33 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 221Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.842 ( 8.089 11.734 7.735) 16.216 1.950 ( 7.221 6.742 5.608) 11.360 2.034 ( 2.913 10.522 0.083) 10.918 2.201 ( -0.353 7.229 -7.170) 10.187 2.270 ( -1.112 3.161 3.993) 5.212 2.320 ( 0.753 4.074 1.256) 4.330 2.456 ( -1.710 6.804 3.066) 7.657 2.541 ( -3.238 5.028 -3.341) 6.850 2.648 ( 1.855 -0.664 4.782) 5.172 2.694 ( 1.766 -3.272 1.653) 4.069 2.794 ( 5.489 -3.572 0.333) 6.557 2.842 ( 0.800 -1.090 -2.827) 3.134 2.950 ( -0.498 1.945 2.997) 3.607 3.035 ( -1.543 0.051 -4.205) 4.479 3.214 ( 3.278 -1.651 5.920) 6.966 3.321 ( -1.171 -4.011 -1.168) 4.339 3.379 ( 1.124 4.752 1.441) 5.091 3.460 ( 2.040 3.077 -2.023) 4.210 3.497 ( 0.393 4.035 4.001) 5.696 3.605 ( -0.214 0.594 -2.445) 2.525 3.621 ( 0.869 -0.439 1.648) 1.914 3.659 ( 4.099 1.969 -3.146) 5.530 3.799 ( 1.681 4.697 -0.283) 4.997 3.845 ( -3.287 -2.629 0.031) 4.209 3.871 ( 2.492 3.805 -3.768) 5.907 3.896 ( -3.010 -3.042 -2.753) 5.089 4.152 ( -6.196 3.611 3.429) 7.949 4.214 ( -5.875 3.131 -1.759) 6.886 4.416 ( 1.138 -0.571 2.651) 2.941 4.493 ( -0.132 -1.876 -4.620) 4.988 4.525 ( 3.677 -4.723 2.456) 6.470 4.565 ( 3.120 -2.767 -0.964) 4.281 4.656 ( 2.448 1.138 1.190) 2.951 4.711 ( 2.674 0.530 -3.956) 4.804 5.047 ( -7.246 -3.510 6.205) 10.165 5.165 ( -8.781 -4.723 -4.701) 11.024 20.975 ( 0.048 0.659 0.096) 0.667 20.978 ( -0.015 0.831 -0.215) 0.859 20.994 ( -0.075 0.420 0.493) 0.652 21.006 ( -0.389 0.274 -0.587) 0.756 21.124 ( 0.173 0.048 0.351) 0.394 21.130 ( 0.078 -0.201 -0.121) 0.247 21.149 ( 0.294 -0.297 0.379) 0.565 21.158 ( 0.061 -0.513 -0.479) 0.704 24.151 ( 0.466 -0.078 0.098) 0.482 24.153 ( 0.398 -0.145 -0.162) 0.454 24.179 ( -0.335 -0.338 -0.012) 0.476 24.180 ( -0.335 -0.338 -0.106) 0.488 32.152 ( -0.325 0.381 0.038) 0.503 32.154 ( -0.373 0.391 -0.125) 0.555 32.191 ( 0.359 -0.681 0.205) 0.797 32.194 ( 0.289 -0.707 -0.055) 0.766 41.391 ( 1.157 6.736 0.185) 6.837 41.451 ( 0.477 7.634 -5.765) 9.579 41.642 ( 1.358 -0.391 1.081) 1.779 41.722 ( -0.145 -1.338 -6.342) 6.484 42.502 ( 5.282 6.505 5.271) 9.900 42.577 ( 3.689 5.036 -1.850) 6.511 43.352 ( -7.417 -7.602 4.932) 11.710 43.406 ( -9.198 -8.507 0.051) 12.529======================= Grid point 213 (76/80) =======================q-point: ( 0.43 0.33 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 221Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.981 ( 6.013 10.190 6.173) 13.345 2.048 ( 0.280 7.126 6.094) 9.381 2.105 ( 5.222 6.279 -3.084) 8.730 2.174 ( -2.320 4.595 -1.852) 5.471 2.263 ( 2.156 5.156 3.417) 6.550 2.345 ( -1.513 9.457 3.750) 10.285 2.384 ( -1.464 4.250 -2.437) 5.113 2.455 ( -5.098 5.704 -3.262) 8.316 2.682 ( 1.371 -0.835 4.296) 4.586 2.704 ( -0.808 -2.098 3.278) 3.975 2.878 ( 3.742 -4.244 0.844) 5.721 2.898 ( 2.472 -4.598 -1.846) 5.537 2.971 ( 1.953 1.760 -0.534) 2.682 3.009 ( -1.594 0.612 -3.006) 3.457 3.269 ( 2.016 -1.879 2.828) 3.949 3.296 ( -0.974 -1.929 1.168) 2.456 3.399 ( 1.745 6.534 3.367) 7.555 3.454 ( -2.922 6.206 1.415) 7.004 3.536 ( 3.279 -1.010 -1.237) 3.647 3.584 ( -1.595 -1.372 -2.534) 3.294 3.666 ( 3.190 2.166 3.156) 4.983 3.716 ( 0.088 3.233 1.139) 3.429 3.763 ( -1.331 -2.954 -1.998) 3.807 3.799 ( -2.666 -3.916 -2.091) 5.179 3.902 ( 2.956 3.864 -2.051) 5.279 3.921 ( 1.954 7.513 -3.681) 8.591 4.050 ( -3.220 4.383 1.758) 5.715 4.091 ( -6.157 6.778 -1.779) 9.329 4.449 ( 2.009 -3.025 1.250) 3.840 4.480 ( -1.129 -3.434 -1.444) 3.892 4.579 ( 1.566 -2.562 0.407) 3.031 4.594 ( 0.013 -2.418 -0.669) 2.509 4.745 ( 6.791 -1.057 2.306) 7.249 4.810 ( 7.454 -2.353 -3.561) 8.589 4.897 ( -7.986 -3.348 4.236) 9.640 4.985 ( -9.744 -3.965 -3.812) 11.189 20.976 ( 0.095 0.649 0.037) 0.657 20.978 ( -0.052 0.718 -0.095) 0.726 20.995 ( 0.114 0.421 0.115) 0.451 20.999 ( -0.349 0.370 -0.292) 0.587 21.128 ( 0.172 -0.158 0.304) 0.383 21.130 ( -0.054 -0.259 0.115) 0.289 21.154 ( 0.262 -0.305 0.068) 0.408 21.158 ( -0.110 -0.396 -0.249) 0.480 24.160 ( 0.445 -0.123 0.022) 0.463 24.161 ( 0.356 -0.139 -0.113) 0.398 24.172 ( -0.346 -0.337 -0.012) 0.483 24.173 ( -0.371 -0.332 -0.095) 0.507 32.148 ( -0.091 0.438 -0.017) 0.448 32.149 ( -0.159 0.443 -0.077) 0.477 32.197 ( 0.171 -0.885 0.151) 0.914 32.198 ( 0.056 -0.897 0.050) 0.900 41.417 ( 1.491 7.976 -1.123) 8.191 41.443 ( -1.105 8.642 -3.661) 9.451 41.677 ( 2.038 -2.023 -1.302) 3.153 41.710 ( -1.216 -1.980 -4.290) 4.878 42.604 ( 4.523 7.995 3.581) 9.859 42.635 ( 1.477 7.580 0.551) 7.742 43.234 ( -3.672 -9.506 3.122) 10.659 43.254 ( -5.623 -9.544 1.349) 11.159======================= Grid point 217 (77/80) =======================q-point: ( 0.00 0.44 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 128Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.853 ( 0.000 8.291 5.619) 10.016 1.921 ( 0.000 3.996 -0.799) 4.075 2.040 ( 0.000 1.198 13.625) 13.677 2.153 ( 0.000 -8.180 6.338) 10.348 2.406 ( 0.000 6.206 -3.621) 7.185 2.422 ( 0.000 5.229 -2.260) 5.696 2.497 ( 0.000 0.614 0.573) 0.840 2.537 ( 0.000 -3.722 -1.757) 4.116 2.700 ( 0.000 5.128 0.537) 5.156 2.728 ( 0.000 4.017 0.234) 4.024 2.791 ( 0.000 6.951 1.232) 7.060 2.840 ( 0.000 5.720 -1.793) 5.994 3.019 ( 0.000 -4.557 2.875) 5.388 3.053 ( 0.000 -2.294 2.048) 3.075 3.097 ( 0.000 -6.158 2.040) 6.487 3.113 ( 0.000 -5.966 2.442) 6.446 3.332 ( 0.000 -4.147 -3.127) 5.194 3.338 ( 0.000 -3.024 -2.140) 3.704 3.502 ( 0.000 0.341 -3.148) 3.166 3.524 ( 0.000 -1.360 -4.058) 4.280 3.714 ( 0.000 5.389 2.125) 5.793 3.752 ( 0.000 1.384 -1.673) 2.171 3.859 ( 0.000 8.482 1.699) 8.651 3.916 ( 0.000 4.731 1.078) 4.852 3.940 ( 0.000 4.365 -5.798) 7.257 3.960 ( 0.000 1.401 -3.026) 3.334 4.200 ( 0.000 -6.364 0.490) 6.382 4.232 ( 0.000 -7.712 -2.758) 8.191 4.256 ( 0.000 -0.956 1.923) 2.147 4.303 ( 0.000 -4.667 -2.186) 5.153 4.632 ( 0.000 1.051 1.059) 1.492 4.643 ( 0.000 -0.145 0.362) 0.390 4.670 ( 0.000 9.510 4.574) 10.553 4.754 ( 0.000 2.957 -2.616) 3.948 5.124 ( 0.000 -1.271 5.221) 5.374 5.207 ( 0.000 -7.730 -2.324) 8.072 20.990 ( 0.000 0.706 0.301) 0.768 20.997 ( 0.000 0.584 -0.179) 0.611 21.000 ( 0.000 0.110 0.346) 0.363 21.011 ( 0.000 -0.450 -0.501) 0.673 21.128 ( 0.000 0.067 0.064) 0.093 21.130 ( 0.000 0.047 -0.102) 0.113 21.135 ( 0.000 0.084 0.252) 0.265 21.142 ( 0.000 -0.501 -0.402) 0.642 24.141 ( 0.000 0.061 0.065) 0.089 24.143 ( 0.000 -0.094 -0.082) 0.125 24.181 ( 0.000 -0.114 -0.059) 0.128 24.181 ( 0.000 -0.155 -0.104) 0.187 32.169 ( 0.000 0.133 0.052) 0.142 32.170 ( 0.000 0.053 -0.057) 0.078 32.176 ( 0.000 0.013 0.118) 0.119 32.178 ( 0.000 -0.178 -0.100) 0.204 41.432 ( 0.000 1.100 -0.864) 1.399 41.439 ( 0.000 0.248 -1.242) 1.267 41.702 ( 0.000 2.510 -4.191) 4.885 41.721 ( 0.000 0.220 -5.531) 5.536 42.485 ( 0.000 3.583 3.516) 5.020 42.527 ( 0.000 -0.439 -0.481) 0.651 43.450 ( 0.000 -0.981 4.288) 4.398 43.488 ( 0.000 -4.639 0.831) 4.713======================= Grid point 218 (78/80) =======================q-point: ( 0.14 0.44 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 221Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.916 ( 6.098 8.828 5.452) 12.035 1.978 ( 5.120 5.607 0.357) 7.602 2.065 ( 2.764 -0.437 10.853) 11.208 2.157 ( 0.592 -7.304 5.331) 9.061 2.395 ( -1.168 6.061 -2.422) 6.631 2.422 ( -0.088 4.358 -3.054) 5.322 2.519 ( 2.164 -0.641 0.412) 2.294 2.538 ( 0.314 -3.754 -0.326) 3.781 2.694 ( -0.545 4.963 1.262) 5.150 2.719 ( -1.052 3.397 1.254) 3.771 2.780 ( -1.107 7.167 0.806) 7.296 2.846 ( 0.154 2.801 -2.901) 4.036 3.011 ( -0.757 -1.171 2.536) 2.894 3.033 ( -1.022 -1.029 1.943) 2.424 3.098 ( 0.555 -5.331 2.584) 5.950 3.140 ( 2.077 -8.119 1.518) 8.517 3.348 ( 1.789 -2.887 -2.653) 4.310 3.363 ( 2.367 -3.213 -2.895) 4.930 3.521 ( 2.066 0.828 -2.484) 3.335 3.550 ( 2.278 -1.888 -4.674) 5.531 3.689 ( -1.978 4.904 2.012) 5.658 3.726 ( -2.562 1.425 -1.547) 3.315 3.874 ( 0.269 4.956 1.539) 5.196 3.913 ( -1.687 -0.723 -1.129) 2.155 3.942 ( 0.243 6.486 -0.748) 6.533 3.982 ( 3.875 8.334 -3.809) 9.948 4.199 ( -0.157 -5.221 0.905) 5.301 4.226 ( 0.587 -1.389 -0.276) 1.533 4.295 ( 2.474 -5.713 -0.640) 6.258 4.323 ( 2.412 -6.279 -2.422) 7.149 4.585 ( -3.765 4.001 2.349) 5.975 4.613 ( -3.202 0.697 -0.542) 3.322 4.683 ( 0.593 5.544 3.395) 6.528 4.749 ( -0.595 1.820 -2.250) 2.954 5.086 ( -3.953 -1.221 4.841) 6.368 5.164 ( -4.436 -7.316 -2.248) 8.846 20.989 ( -0.048 0.690 0.288) 0.749 20.997 ( -0.063 0.666 -0.249) 0.713 20.999 ( -0.107 -0.010 0.371) 0.387 21.010 ( -0.171 -0.422 -0.487) 0.667 21.128 ( 0.040 0.170 0.109) 0.206 21.130 ( 0.060 0.144 -0.100) 0.185 21.137 ( 0.164 -0.074 0.264) 0.319 21.144 ( 0.125 -0.553 -0.371) 0.677 24.144 ( 0.244 0.046 0.053) 0.254 24.145 ( 0.229 -0.094 -0.080) 0.260 24.179 ( -0.172 -0.111 -0.057) 0.212 24.180 ( -0.172 -0.153 -0.101) 0.251 32.166 ( -0.195 0.371 0.086) 0.428 32.168 ( -0.170 0.320 -0.125) 0.383 32.176 ( 0.055 -0.308 0.164) 0.353 32.179 ( 0.061 -0.417 -0.101) 0.433 41.445 ( 1.496 1.851 -0.430) 2.419 41.465 ( 2.388 -0.169 -1.992) 3.114 41.691 ( -1.126 2.511 -3.871) 4.749 41.716 ( -0.602 -0.241 -5.670) 5.707 42.518 ( 3.499 3.728 3.559) 6.230 42.557 ( 3.205 -0.003 -0.164) 3.209 43.395 ( -5.713 -1.288 4.100) 7.149 43.428 ( -6.122 -4.506 1.033) 7.671======================= Grid point 219 (79/80) =======================q-point: ( 0.29 0.44 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 221Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.051 ( 6.664 8.383 4.392) 11.574 2.070 ( 4.492 5.766 5.031) 8.873 2.132 ( 3.132 -0.538 3.177) 4.493 2.190 ( 2.918 -4.591 0.373) 5.453 2.369 ( -1.029 6.068 2.481) 6.636 2.429 ( 1.502 3.195 -2.351) 4.242 2.539 ( -0.162 -1.807 2.141) 2.806 2.563 ( 0.571 -1.418 0.279) 1.554 2.682 ( -0.144 2.686 0.763) 2.796 2.695 ( -1.265 3.028 1.029) 3.439 2.759 ( -0.634 2.809 1.460) 3.229 2.824 ( -2.443 -1.748 -1.577) 3.393 3.012 ( 1.257 4.324 0.338) 4.515 3.033 ( 0.744 0.333 -0.388) 0.903 3.125 ( 1.988 -5.290 3.381) 6.585 3.171 ( 1.019 -8.253 0.690) 8.344 3.397 ( 3.287 -0.839 -2.078) 3.978 3.424 ( 3.909 -2.692 -3.369) 5.820 3.571 ( 2.401 2.010 -0.822) 3.237 3.594 ( 2.146 -0.562 -3.026) 3.752 3.659 ( -0.659 0.529 -0.513) 0.989 3.666 ( -3.559 0.782 -1.194) 3.835 3.830 ( -4.097 0.551 -0.424) 4.156 3.844 ( -4.796 -0.876 -1.844) 5.212 3.996 ( 4.365 11.188 3.436) 12.491 4.071 ( 4.741 10.073 -2.975) 11.524 4.201 ( 0.340 -0.810 3.321) 3.435 4.249 ( 1.267 1.805 -0.736) 2.325 4.333 ( 1.733 -6.259 0.506) 6.515 4.387 ( 3.199 -7.521 -4.290) 9.230 4.510 ( -3.647 2.153 2.107) 4.730 4.540 ( -3.659 -0.539 -0.679) 3.760 4.695 ( 1.171 3.037 2.108) 3.878 4.738 ( -0.167 0.311 -1.609) 1.648 4.983 ( -6.600 -0.980 3.773) 7.665 5.048 ( -7.454 -6.137 -2.070) 9.875 20.989 ( -0.011 0.640 0.216) 0.676 20.995 ( -0.142 0.723 -0.296) 0.794 20.997 ( -0.056 -0.156 0.319) 0.359 21.005 ( -0.263 -0.335 -0.404) 0.587 21.130 ( 0.110 0.335 0.171) 0.392 21.132 ( 0.081 0.347 -0.056) 0.361 21.140 ( 0.205 -0.380 0.247) 0.497 21.146 ( 0.081 -0.645 -0.268) 0.703 24.150 ( 0.410 0.012 0.023) 0.411 24.151 ( 0.390 -0.091 -0.076) 0.407 24.175 ( -0.321 -0.105 -0.049) 0.341 24.175 ( -0.320 -0.146 -0.093) 0.364 32.163 ( -0.160 0.651 0.077) 0.675 32.165 ( -0.205 0.654 -0.106) 0.693 32.177 ( 0.055 -0.712 0.148) 0.729 32.180 ( 0.000 -0.747 -0.067) 0.750 41.486 ( 2.641 3.111 -0.442) 4.105 41.520 ( 3.211 -0.067 -3.290) 4.598 41.661 ( -1.907 2.015 -2.778) 3.926 41.697 ( -1.430 -1.411 -5.580) 5.930 42.618 ( 6.925 4.439 3.549) 8.958 42.650 ( 6.461 1.499 0.514) 6.653 43.246 ( -9.541 -2.447 3.672) 10.512 43.270 ( -10.027 -4.655 1.438) 11.148======================= Grid point 220 (80/80) =======================q-point: ( 0.43 0.44 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 221Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.128 ( 2.703 4.067 4.302) 6.508 2.147 ( 1.483 4.970 1.683) 5.453 2.181 ( 2.335 -0.387 0.256) 2.381 2.216 ( -0.789 -0.877 -2.480) 2.746 2.389 ( 3.817 7.842 6.711) 11.005 2.477 ( -0.444 5.005 -0.561) 5.056 2.501 ( -1.064 3.431 4.096) 5.448 2.541 ( -1.675 0.474 0.745) 1.894 2.681 ( 0.038 1.298 2.191) 2.547 2.691 ( -0.217 1.832 1.819) 2.590 2.761 ( 0.883 -6.579 -0.730) 6.678 2.783 ( -1.392 -4.747 -1.366) 5.132 3.040 ( 1.322 4.468 -0.877) 4.742 3.051 ( 0.512 3.958 -1.192) 4.165 3.160 ( 1.512 -6.959 1.788) 7.342 3.178 ( -0.309 -7.424 0.468) 7.445 3.471 ( 4.498 1.679 -0.500) 4.827 3.505 ( 4.341 -1.501 -2.697) 5.327 3.555 ( -3.345 3.465 0.288) 4.825 3.590 ( -4.223 0.265 -2.151) 4.746 3.657 ( 4.033 -0.978 -0.463) 4.176 3.683 ( 2.587 -2.378 -2.670) 4.413 3.744 ( -4.474 -0.537 -0.522) 4.536 3.753 ( -4.387 -1.289 -1.432) 4.791 4.081 ( 4.211 11.825 3.327) 12.986 4.131 ( 0.223 10.895 -0.664) 10.918 4.214 ( 1.766 5.994 2.572) 6.758 4.254 ( -1.103 5.965 -0.706) 6.107 4.357 ( 0.930 -4.729 0.515) 4.847 4.388 ( -2.477 -2.172 -1.932) 3.820 4.487 ( 0.960 -7.267 0.214) 7.333 4.501 ( -0.690 -6.732 -0.599) 6.794 4.745 ( 4.111 0.913 1.019) 4.333 4.770 ( 4.456 -1.380 -1.247) 4.829 4.851 ( -6.807 -0.304 2.266) 7.181 4.897 ( -8.000 -4.219 -1.786) 9.219 20.989 ( 0.087 0.594 0.063) 0.604 20.992 ( -0.148 0.621 -0.137) 0.653 20.997 ( 0.087 -0.153 0.059) 0.186 21.000 ( -0.233 -0.220 -0.213) 0.385 21.132 ( 0.100 0.465 0.161) 0.502 21.133 ( 0.003 0.494 0.056) 0.497 21.144 ( 0.165 -0.634 0.114) 0.665 21.146 ( -0.057 -0.700 -0.092) 0.709 24.158 ( 0.456 -0.012 -0.012) 0.456 24.159 ( 0.436 -0.073 -0.076) 0.448 24.167 ( -0.412 -0.110 -0.034) 0.427 24.168 ( -0.410 -0.151 -0.081) 0.445 32.161 ( -0.033 0.807 0.026) 0.808 32.161 ( -0.113 0.813 -0.044) 0.822 32.178 ( 0.051 -0.930 0.086) 0.935 32.179 ( -0.043 -0.939 0.003) 0.940 41.538 ( 2.698 4.491 -1.602) 5.479 41.568 ( 0.725 3.608 -4.429) 5.758 41.632 ( -0.190 -1.881 -1.601) 2.478 41.662 ( -2.180 -2.826 -4.396) 5.662 42.768 ( 7.852 7.422 3.205) 11.270 42.787 ( 6.691 6.255 1.350) 9.258 43.062 ( -8.213 -6.690 3.186) 11.062 43.077 ( -9.000 -7.438 1.764) 11.809=================== 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 3/26460 10.0 78.485 61.517 54.981 0.000 0.000 0.000 3/26460 20.0 10.944 10.792 7.864 0.000 0.000 0.000 3/26460 30.0 4.287 4.747 3.205 0.000 0.000 0.000 3/26460 40.0 2.484 2.964 1.921 0.000 0.000 0.000 3/26460 50.0 1.740 2.196 1.382 0.000 0.000 0.000 3/26460 60.0 1.350 1.775 1.093 0.000 0.000 0.000 3/26460 70.0 1.111 1.505 0.912 0.000 0.000 0.000 3/26460 80.0 0.949 1.314 0.786 0.000 0.000 0.000 3/26460 90.0 0.831 1.170 0.694 0.000 0.000 0.000 3/26460 100.0 0.741 1.055 0.621 0.000 0.000 0.000 3/26460 110.0 0.669 0.962 0.564 0.000 0.000 0.000 3/26460 120.0 0.611 0.885 0.516 0.000 0.000 0.000 3/26460 130.0 0.563 0.819 0.476 0.000 0.000 0.000 3/26460 140.0 0.522 0.762 0.442 0.000 0.000 0.000 3/26460 150.0 0.488 0.713 0.413 0.000 0.000 0.000 3/26460 160.0 0.458 0.670 0.387 0.000 0.000 0.000 3/26460 170.0 0.433 0.632 0.365 0.000 0.000 0.000 3/26460 180.0 0.412 0.598 0.346 0.000 0.000 0.000 3/26460 190.0 0.393 0.568 0.328 0.000 0.000 0.000 3/26460 200.0 0.377 0.541 0.313 0.000 0.000 0.000 3/26460 210.0 0.364 0.517 0.300 0.000 0.000 0.000 3/26460 220.0 0.352 0.495 0.288 0.000 0.000 0.000 3/26460 230.0 0.343 0.475 0.277 0.000 0.000 0.000 3/26460 240.0 0.334 0.457 0.268 0.000 0.000 0.000 3/26460 250.0 0.327 0.441 0.259 0.000 0.000 0.000 3/26460 260.0 0.321 0.426 0.252 0.000 0.000 0.000 3/26460 270.0 0.316 0.413 0.245 0.000 0.000 0.000 3/26460 280.0 0.312 0.401 0.239 0.000 0.000 0.000 3/26460 290.0 0.309 0.390 0.234 0.000 0.000 0.000 3/26460 300.0 0.306 0.380 0.229 0.000 0.000 0.000 3/26460 310.0 0.303 0.371 0.225 0.000 0.000 0.000 3/26460 320.0 0.301 0.362 0.221 0.000 0.000 0.000 3/26460 330.0 0.299 0.355 0.217 0.000 0.000 0.000 3/26460 340.0 0.298 0.347 0.214 0.000 0.000 0.000 3/26460 350.0 0.296 0.341 0.211 0.000 0.000 0.000 3/26460 360.0 0.295 0.335 0.208 0.000 0.000 0.000 3/26460 370.0 0.294 0.329 0.206 0.000 0.000 0.000 3/26460 380.0 0.293 0.324 0.204 0.000 0.000 0.000 3/26460 390.0 0.292 0.319 0.202 0.000 0.000 0.000 3/26460 400.0 0.291 0.314 0.200 0.000 0.000 0.000 3/26460 410.0 0.290 0.309 0.198 0.000 0.000 0.000 3/26460 420.0 0.289 0.305 0.196 0.000 0.000 0.000 3/26460 430.0 0.288 0.301 0.194 0.000 0.000 0.000 3/26460 440.0 0.287 0.298 0.193 0.000 0.000 0.000 3/26460 450.0 0.286 0.294 0.191 0.000 0.000 0.000 3/26460 460.0 0.285 0.291 0.190 0.000 0.000 0.000 3/26460 470.0 0.284 0.287 0.189 0.000 0.000 0.000 3/26460 480.0 0.283 0.284 0.187 0.000 0.000 0.000 3/26460 490.0 0.282 0.281 0.186 0.000 0.000 0.000 3/26460 500.0 0.280 0.278 0.185 0.000 0.000 0.000 3/26460 510.0 0.279 0.275 0.183 0.000 0.000 0.000 3/26460 520.0 0.278 0.273 0.182 0.000 0.000 0.000 3/26460 530.0 0.277 0.270 0.181 0.000 0.000 0.000 3/26460 540.0 0.275 0.267 0.180 0.000 0.000 0.000 3/26460 550.0 0.274 0.265 0.179 0.000 0.000 0.000 3/26460 560.0 0.273 0.262 0.177 0.000 0.000 0.000 3/26460 570.0 0.271 0.260 0.176 0.000 0.000 0.000 3/26460 580.0 0.270 0.258 0.175 0.000 0.000 0.000 3/26460 590.0 0.268 0.255 0.174 0.000 0.000 0.000 3/26460 600.0 0.267 0.253 0.173 0.000 0.000 0.000 3/26460 610.0 0.265 0.251 0.172 0.000 0.000 0.000 3/26460 620.0 0.264 0.249 0.171 0.000 0.000 0.000 3/26460 630.0 0.262 0.246 0.169 0.000 0.000 0.000 3/26460 640.0 0.261 0.244 0.168 0.000 0.000 0.000 3/26460 650.0 0.259 0.242 0.167 0.000 0.000 0.000 3/26460 660.0 0.258 0.240 0.166 0.000 0.000 0.000 3/26460 670.0 0.256 0.238 0.165 0.000 0.000 0.000 3/26460 680.0 0.255 0.236 0.164 0.000 0.000 0.000 3/26460 690.0 0.253 0.234 0.163 0.000 0.000 0.000 3/26460 700.0 0.251 0.232 0.162 0.000 0.000 0.000 3/26460 710.0 0.250 0.230 0.161 0.000 0.000 0.000 3/26460 720.0 0.248 0.228 0.160 0.000 0.000 0.000 3/26460 730.0 0.247 0.226 0.158 0.000 0.000 0.000 3/26460 740.0 0.245 0.225 0.157 0.000 0.000 0.000 3/26460 750.0 0.243 0.223 0.156 0.000 0.000 0.000 3/26460 760.0 0.242 0.221 0.155 0.000 0.000 0.000 3/26460 770.0 0.240 0.219 0.154 0.000 0.000 0.000 3/26460 780.0 0.239 0.217 0.153 0.000 0.000 0.000 3/26460 790.0 0.237 0.216 0.152 0.000 0.000 0.000 3/26460 800.0 0.235 0.214 0.151 0.000 0.000 0.000 3/26460 810.0 0.234 0.212 0.150 0.000 0.000 0.000 3/26460 820.0 0.232 0.211 0.149 0.000 0.000 0.000 3/26460 830.0 0.231 0.209 0.148 0.000 0.000 0.000 3/26460 840.0 0.229 0.207 0.147 0.000 0.000 0.000 3/26460 850.0 0.227 0.206 0.146 0.000 0.000 0.000 3/26460 860.0 0.226 0.204 0.145 0.000 0.000 0.000 3/26460 870.0 0.224 0.203 0.144 0.000 0.000 0.000 3/26460 880.0 0.223 0.201 0.143 0.000 0.000 0.000 3/26460 890.0 0.221 0.200 0.142 0.000 0.000 0.000 3/26460 900.0 0.220 0.198 0.141 0.000 0.000 0.000 3/26460 910.0 0.218 0.197 0.140 0.000 0.000 0.000 3/26460 920.0 0.217 0.195 0.139 0.000 0.000 0.000 3/26460 930.0 0.215 0.194 0.138 0.000 0.000 0.000 3/26460 940.0 0.214 0.192 0.137 0.000 0.000 0.000 3/26460 950.0 0.212 0.191 0.136 0.000 0.000 0.000 3/26460 960.0 0.211 0.189 0.136 0.000 0.000 0.000 3/26460 970.0 0.210 0.188 0.135 0.000 0.000 0.000 3/26460 980.0 0.208 0.187 0.134 0.000 0.000 0.000 3/26460 990.0 0.207 0.185 0.133 0.000 0.000 0.000 3/26460 1000.0 0.205 0.184 0.132 0.000 0.000 0.000 3/26460Thermal conductivity related properties were written into "kappa-m797.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 23:22:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|