----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:13:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.042350140000001 -3.492052554999999 0.000000000000000 b 5.042350140000001 3.492052554999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.442124170000000 Atomic positions (fractional): *1 O 0.83773660839285 0.16226339160715 0.25000000000000 15.999 2 O 0.16226339160715 0.83773660839285 0.75000000000000 15.999 *3 O 0.62574885404033 0.62574885404033 0.00000000000000 15.999 4 O 0.37425114595967 0.37425114595967 0.50000000000000 15.999 5 O 0.62574885404033 0.62574885404033 0.50000000000000 15.999 6 O 0.37425114595967 0.37425114595967 0.00000000000000 15.999 *7 K 0.68853093437945 0.98689287574018 0.75000000000000 39.098 8 K 0.01310712425982 0.31146906562055 0.75000000000000 39.098 9 K 0.31146906562055 0.01310712425982 0.25000000000000 39.098 10 K 0.98689287574018 0.68853093437945 0.25000000000000 39.098 *11 Ti 0.58494248151394 0.41505751848606 0.25000000000000 47.867 12 Ti 0.41505751848606 0.58494248151394 0.75000000000000 47.867 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.084700280000002 0.000000000000000 0.000000000000000 b 0.000000000000000 6.984105109999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.442124170000000 Atomic positions (fractional): *1 O 0.50000000000000 0.66226339160715 0.25000000000000 15.999 > 1 2 O 0.50000000000000 0.33773660839285 0.75000000000000 15.999 > 2 *3 O 0.62574885404033 0.00000000000000 0.00000000000000 15.999 > 3 4 O 0.37425114595967 0.00000000000000 0.50000000000000 15.999 > 4 5 O 0.62574885404033 0.00000000000000 0.50000000000000 15.999 > 5 6 O 0.37425114595967 0.00000000000000 0.00000000000000 15.999 > 6 7 O 0.00000000000000 0.16226339160715 0.25000000000000 15.999 > 1 8 O 0.00000000000000 0.83773660839285 0.75000000000000 15.999 > 2 9 O 0.12574885404033 0.50000000000000 0.00000000000000 15.999 > 3 10 O 0.87425114595967 0.50000000000000 0.50000000000000 15.999 > 4 11 O 0.12574885404033 0.50000000000000 0.50000000000000 15.999 > 5 12 O 0.87425114595967 0.50000000000000 0.00000000000000 15.999 > 6 *13 K 0.83771190505982 0.14918097068037 0.75000000000000 39.098 > 7 14 K 0.16228809494018 0.14918097068037 0.75000000000000 39.098 > 8 15 K 0.16228809494018 0.85081902931963 0.25000000000000 39.098 > 9 16 K 0.83771190505982 0.85081902931963 0.25000000000000 39.098 > 10 17 K 0.33771190505982 0.64918097068037 0.75000000000000 39.098 > 7 18 K 0.66228809494018 0.64918097068037 0.75000000000000 39.098 > 8 19 K 0.66228809494018 0.35081902931963 0.25000000000000 39.098 > 9 20 K 0.33771190505982 0.35081902931963 0.25000000000000 39.098 > 10 *21 Ti 0.50000000000000 0.91505751848606 0.25000000000000 47.867 > 11 22 Ti 0.50000000000000 0.08494248151394 0.75000000000000 47.867 > 12 23 Ti 0.00000000000000 0.41505751848606 0.25000000000000 47.867 > 11 24 Ti 0.00000000000000 0.58494248151394 0.75000000000000 47.867 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.084700280000002 0.000000000000000 0.000000000000000 b 0.000000000000000 13.968210219999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.884248339999999 Atomic positions (fractional): *1 O 0.50000000000000 0.33113169580358 0.12500000000000 15.999 > 1 2 O 0.50000000000000 0.83113169580358 0.12500000000000 15.999 > 1 3 O 0.50000000000000 0.33113169580358 0.62500000000000 15.999 > 1 4 O 0.50000000000000 0.83113169580358 0.62500000000000 15.999 > 1 5 O 0.50000000000000 0.16886830419642 0.37500000000000 15.999 > 2 6 O 0.50000000000000 0.66886830419642 0.37500000000000 15.999 > 2 7 O 0.50000000000000 0.16886830419642 0.87500000000000 15.999 > 2 8 O 0.50000000000000 0.66886830419642 0.87500000000000 15.999 > 2 *9 O 0.62574885404033 0.00000000000000 0.00000000000000 15.999 > 3 10 O 0.62574885404033 0.50000000000000 0.00000000000000 15.999 > 3 11 O 0.62574885404033 0.00000000000000 0.50000000000000 15.999 > 3 12 O 0.62574885404033 0.50000000000000 0.50000000000000 15.999 > 3 13 O 0.37425114595967 0.00000000000000 0.25000000000000 15.999 > 4 14 O 0.37425114595967 0.50000000000000 0.25000000000000 15.999 > 4 15 O 0.37425114595967 0.00000000000000 0.75000000000000 15.999 > 4 16 O 0.37425114595967 0.50000000000000 0.75000000000000 15.999 > 4 17 O 0.62574885404033 0.00000000000000 0.25000000000000 15.999 > 5 18 O 0.62574885404033 0.50000000000000 0.25000000000000 15.999 > 5 19 O 0.62574885404033 0.00000000000000 0.75000000000000 15.999 > 5 20 O 0.62574885404033 0.50000000000000 0.75000000000000 15.999 > 5 21 O 0.37425114595967 0.00000000000000 0.00000000000000 15.999 > 6 22 O 0.37425114595967 0.50000000000000 0.00000000000000 15.999 > 6 23 O 0.37425114595967 0.00000000000000 0.50000000000000 15.999 > 6 24 O 0.37425114595967 0.50000000000000 0.50000000000000 15.999 > 6 25 O 0.00000000000000 0.08113169580358 0.12500000000000 15.999 > 1 26 O 0.00000000000000 0.58113169580358 0.12500000000000 15.999 > 1 27 O 0.00000000000000 0.08113169580358 0.62500000000000 15.999 > 1 28 O 0.00000000000000 0.58113169580358 0.62500000000000 15.999 > 1 29 O 0.00000000000000 0.41886830419642 0.37500000000000 15.999 > 2 30 O 0.00000000000000 0.91886830419642 0.37500000000000 15.999 > 2 31 O 0.00000000000000 0.41886830419642 0.87500000000000 15.999 > 2 32 O 0.00000000000000 0.91886830419642 0.87500000000000 15.999 > 2 33 O 0.12574885404033 0.25000000000000 0.00000000000000 15.999 > 3 34 O 0.12574885404033 0.75000000000000 0.00000000000000 15.999 > 3 35 O 0.12574885404033 0.25000000000000 0.50000000000000 15.999 > 3 36 O 0.12574885404033 0.75000000000000 0.50000000000000 15.999 > 3 37 O 0.87425114595967 0.25000000000000 0.25000000000000 15.999 > 4 38 O 0.87425114595967 0.75000000000000 0.25000000000000 15.999 > 4 39 O 0.87425114595967 0.25000000000000 0.75000000000000 15.999 > 4 40 O 0.87425114595967 0.75000000000000 0.75000000000000 15.999 > 4 41 O 0.12574885404033 0.25000000000000 0.25000000000000 15.999 > 5 42 O 0.12574885404033 0.75000000000000 0.25000000000000 15.999 > 5 43 O 0.12574885404033 0.25000000000000 0.75000000000000 15.999 > 5 44 O 0.12574885404033 0.75000000000000 0.75000000000000 15.999 > 5 45 O 0.87425114595967 0.25000000000000 0.00000000000000 15.999 > 6 46 O 0.87425114595967 0.75000000000000 0.00000000000000 15.999 > 6 47 O 0.87425114595967 0.25000000000000 0.50000000000000 15.999 > 6 48 O 0.87425114595967 0.75000000000000 0.50000000000000 15.999 > 6 *49 K 0.83771190505982 0.07459048534018 0.37500000000000 39.098 > 7 50 K 0.83771190505982 0.57459048534018 0.37500000000000 39.098 > 7 51 K 0.83771190505982 0.07459048534018 0.87500000000000 39.098 > 7 52 K 0.83771190505982 0.57459048534018 0.87500000000000 39.098 > 7 53 K 0.16228809494018 0.07459048534018 0.37500000000000 39.098 > 8 54 K 0.16228809494018 0.57459048534018 0.37500000000000 39.098 > 8 55 K 0.16228809494018 0.07459048534018 0.87500000000000 39.098 > 8 56 K 0.16228809494018 0.57459048534018 0.87500000000000 39.098 > 8 57 K 0.16228809494018 0.42540951465982 0.12500000000000 39.098 > 9 58 K 0.16228809494018 0.92540951465982 0.12500000000000 39.098 > 9 59 K 0.16228809494018 0.42540951465982 0.62500000000000 39.098 > 9 60 K 0.16228809494018 0.92540951465982 0.62500000000000 39.098 > 9 61 K 0.83771190505982 0.42540951465982 0.12500000000000 39.098 > 10 62 K 0.83771190505982 0.92540951465982 0.12500000000000 39.098 > 10 63 K 0.83771190505982 0.42540951465982 0.62500000000000 39.098 > 10 64 K 0.83771190505982 0.92540951465982 0.62500000000000 39.098 > 10 65 K 0.33771190505982 0.32459048534018 0.37500000000000 39.098 > 7 66 K 0.33771190505982 0.82459048534018 0.37500000000000 39.098 > 7 67 K 0.33771190505982 0.32459048534018 0.87500000000000 39.098 > 7 68 K 0.33771190505982 0.82459048534018 0.87500000000000 39.098 > 7 69 K 0.66228809494018 0.32459048534018 0.37500000000000 39.098 > 8 70 K 0.66228809494018 0.82459048534018 0.37500000000000 39.098 > 8 71 K 0.66228809494018 0.32459048534018 0.87500000000000 39.098 > 8 72 K 0.66228809494018 0.82459048534018 0.87500000000000 39.098 > 8 73 K 0.66228809494018 0.17540951465982 0.12500000000000 39.098 > 9 74 K 0.66228809494018 0.67540951465982 0.12500000000000 39.098 > 9 75 K 0.66228809494018 0.17540951465982 0.62500000000000 39.098 > 9 76 K 0.66228809494018 0.67540951465982 0.62500000000000 39.098 > 9 77 K 0.33771190505982 0.17540951465982 0.12500000000000 39.098 > 10 78 K 0.33771190505982 0.67540951465982 0.12500000000000 39.098 > 10 79 K 0.33771190505982 0.17540951465982 0.62500000000000 39.098 > 10 80 K 0.33771190505982 0.67540951465982 0.62500000000000 39.098 > 10 *81 Ti 0.50000000000000 0.45752875924303 0.12500000000000 47.867 > 11 82 Ti 0.50000000000000 0.95752875924303 0.12500000000000 47.867 > 11 83 Ti 0.50000000000000 0.45752875924303 0.62500000000000 47.867 > 11 84 Ti 0.50000000000000 0.95752875924303 0.62500000000000 47.867 > 11 85 Ti 0.50000000000000 0.04247124075697 0.37500000000000 47.867 > 12 86 Ti 0.50000000000000 0.54247124075697 0.37500000000000 47.867 > 12 87 Ti 0.50000000000000 0.04247124075697 0.87500000000000 47.867 > 12 88 Ti 0.50000000000000 0.54247124075697 0.87500000000000 47.867 > 12 89 Ti 0.00000000000000 0.20752875924303 0.12500000000000 47.867 > 11 90 Ti 0.00000000000000 0.70752875924303 0.12500000000000 47.867 > 11 91 Ti 0.00000000000000 0.20752875924303 0.62500000000000 47.867 > 11 92 Ti 0.00000000000000 0.70752875924303 0.62500000000000 47.867 > 11 93 Ti 0.00000000000000 0.29247124075697 0.37500000000000 47.867 > 12 94 Ti 0.00000000000000 0.79247124075697 0.37500000000000 47.867 > 12 95 Ti 0.00000000000000 0.29247124075697 0.87500000000000 47.867 > 12 96 Ti 0.00000000000000 0.79247124075697 0.87500000000000 47.867 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9925193 0.0000000 0.0000000 0.0000000 3.2387579 0.0000000 0.0000000 0.0000000 3.7778915 -------------------------- Born effective charges -------------------------- 1 O -1.1108746 0.0000000 0.0000000 0.0000000 -3.1890428 0.0000000 0.0000000 0.0000000 -1.1789831 2 O -1.1108746 0.0000000 0.0000000 0.0000000 -3.1890428 0.0000000 0.0000000 0.0000000 -1.1789831 3 O -1.9312663 0.0000000 0.0000000 0.0000000 -1.1517656 0.5002711 0.0000000 0.9243293 -3.1809116 4 O -1.9312663 0.0000000 0.0000000 0.0000000 -1.1517656 -0.5002711 0.0000000 -0.9243293 -3.1809116 5 O -1.9312663 0.0000000 0.0000000 0.0000000 -1.1517656 -0.5002711 0.0000000 -0.9243293 -3.1809116 6 O -1.9312663 0.0000000 0.0000000 0.0000000 -1.1517656 0.5002711 0.0000000 0.9243293 -3.1809116 7 K 1.2969273 0.2238695 0.0000000 0.1368234 1.3044454 0.0000000 0.0000000 0.0000000 1.1002463 8 K 1.2969273 -0.2238695 0.0000000 -0.1368234 1.3044454 0.0000000 0.0000000 0.0000000 1.1002463 9 K 1.2969273 0.2238695 0.0000000 0.1368234 1.3044454 0.0000000 0.0000000 0.0000000 1.1002463 10 K 1.2969273 -0.2238695 0.0000000 -0.1368234 1.3044454 0.0000000 0.0000000 0.0000000 1.1002463 11 Ti 2.3795526 0.0000000 0.0000000 0.0000000 2.8836831 0.0000000 0.0000000 0.0000000 5.3403138 12 Ti 2.3795526 0.0000000 0.0000000 0.0000000 2.8836831 0.0000000 0.0000000 0.0000000 5.3403138 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 6336/6336 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 750 Number of blocks in projector: 750 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 148 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 126 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 126 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 126 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 124 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 100 Use standard eigh solver. Tree of FC basis block matrices: - (750, 734), data: False |-- (100, 100), data: True |-- (124, 122), data: True |-- (126, 122), data: True |-- (126, 122), data: True |-- (126, 122), data: True |-- (148, 146), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 240 - Time: 0.567 Solver_block: 200 / 240 - Time: 0.567 Solver_block: 240 / 240 - Time: 0.296 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.472 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 288/288 Permutation basis: 6336/6336 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 750 Number of blocks in projector: 750 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 148 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 126 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 126 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 126 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 124 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 100 Use standard eigh solver. Tree of FC basis block matrices: - (750, 734), data: False |-- (100, 100), data: True |-- (124, 122), data: True |-- (126, 122), data: True |-- (126, 122), data: True |-- (126, 122), data: True |-- (148, 146), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 00:13:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:13:15]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.042350140000001 -3.492052554999999 0.000000000000000 b 5.042350140000001 3.492052554999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.442124170000000 Atomic positions (fractional): 1 O 0.83773660839285 0.16226339160715 0.25000000000000 15.999 2 O 0.16226339160715 0.83773660839285 0.75000000000000 15.999 3 O 0.62574885404033 0.62574885404033 0.00000000000000 15.999 4 O 0.37425114595967 0.37425114595967 0.50000000000000 15.999 5 O 0.62574885404033 0.62574885404033 0.50000000000000 15.999 6 O 0.37425114595967 0.37425114595967 0.00000000000000 15.999 7 K 0.68853093437945 0.98689287574018 0.75000000000000 39.098 8 K 0.01310712425982 0.31146906562055 0.75000000000000 39.098 9 K 0.31146906562055 0.01310712425982 0.25000000000000 39.098 10 K 0.98689287574018 0.68853093437945 0.25000000000000 39.098 11 Ti 0.58494248151394 0.41505751848606 0.25000000000000 47.867 12 Ti 0.41505751848606 0.58494248151394 0.75000000000000 47.867 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.084700280000002 0.000000000000000 0.000000000000000 b 0.000000000000000 13.968210219999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.884248339999999 Atomic positions (fractional): 1 O 0.50000000000000 0.33113169580358 0.12500000000000 15.999 > 1 2 O 0.50000000000000 0.83113169580358 0.12500000000000 15.999 > 1 3 O 0.50000000000000 0.33113169580358 0.62500000000000 15.999 > 1 4 O 0.50000000000000 0.83113169580358 0.62500000000000 15.999 > 1 5 O 0.50000000000000 0.16886830419642 0.37500000000000 15.999 > 5 6 O 0.50000000000000 0.66886830419642 0.37500000000000 15.999 > 5 7 O 0.50000000000000 0.16886830419642 0.87500000000000 15.999 > 5 8 O 0.50000000000000 0.66886830419642 0.87500000000000 15.999 > 5 9 O 0.62574885404033 0.00000000000000 0.00000000000000 15.999 > 9 10 O 0.62574885404033 0.50000000000000 0.00000000000000 15.999 > 9 11 O 0.62574885404033 0.00000000000000 0.50000000000000 15.999 > 9 12 O 0.62574885404033 0.50000000000000 0.50000000000000 15.999 > 9 13 O 0.37425114595967 0.00000000000000 0.25000000000000 15.999 > 13 14 O 0.37425114595967 0.50000000000000 0.25000000000000 15.999 > 13 15 O 0.37425114595967 0.00000000000000 0.75000000000000 15.999 > 13 16 O 0.37425114595967 0.50000000000000 0.75000000000000 15.999 > 13 17 O 0.62574885404033 0.00000000000000 0.25000000000000 15.999 > 17 18 O 0.62574885404033 0.50000000000000 0.25000000000000 15.999 > 17 19 O 0.62574885404033 0.00000000000000 0.75000000000000 15.999 > 17 20 O 0.62574885404033 0.50000000000000 0.75000000000000 15.999 > 17 21 O 0.37425114595967 0.00000000000000 0.00000000000000 15.999 > 21 22 O 0.37425114595967 0.50000000000000 0.00000000000000 15.999 > 21 23 O 0.37425114595967 0.00000000000000 0.50000000000000 15.999 > 21 24 O 0.37425114595967 0.50000000000000 0.50000000000000 15.999 > 21 25 O 0.00000000000000 0.08113169580358 0.12500000000000 15.999 > 1 26 O 0.00000000000000 0.58113169580358 0.12500000000000 15.999 > 1 27 O 0.00000000000000 0.08113169580358 0.62500000000000 15.999 > 1 28 O 0.00000000000000 0.58113169580358 0.62500000000000 15.999 > 1 29 O 0.00000000000000 0.41886830419642 0.37500000000000 15.999 > 5 30 O 0.00000000000000 0.91886830419642 0.37500000000000 15.999 > 5 31 O 0.00000000000000 0.41886830419642 0.87500000000000 15.999 > 5 32 O 0.00000000000000 0.91886830419642 0.87500000000000 15.999 > 5 33 O 0.12574885404033 0.25000000000000 0.00000000000000 15.999 > 9 34 O 0.12574885404033 0.75000000000000 0.00000000000000 15.999 > 9 35 O 0.12574885404033 0.25000000000000 0.50000000000000 15.999 > 9 36 O 0.12574885404033 0.75000000000000 0.50000000000000 15.999 > 9 37 O 0.87425114595967 0.25000000000000 0.25000000000000 15.999 > 13 38 O 0.87425114595967 0.75000000000000 0.25000000000000 15.999 > 13 39 O 0.87425114595967 0.25000000000000 0.75000000000000 15.999 > 13 40 O 0.87425114595967 0.75000000000000 0.75000000000000 15.999 > 13 41 O 0.12574885404033 0.25000000000000 0.25000000000000 15.999 > 17 42 O 0.12574885404033 0.75000000000000 0.25000000000000 15.999 > 17 43 O 0.12574885404033 0.25000000000000 0.75000000000000 15.999 > 17 44 O 0.12574885404033 0.75000000000000 0.75000000000000 15.999 > 17 45 O 0.87425114595967 0.25000000000000 0.00000000000000 15.999 > 21 46 O 0.87425114595967 0.75000000000000 0.00000000000000 15.999 > 21 47 O 0.87425114595967 0.25000000000000 0.50000000000000 15.999 > 21 48 O 0.87425114595967 0.75000000000000 0.50000000000000 15.999 > 21 49 K 0.83771190505982 0.07459048534018 0.37500000000000 39.098 > 49 50 K 0.83771190505982 0.57459048534018 0.37500000000000 39.098 > 49 51 K 0.83771190505982 0.07459048534018 0.87500000000000 39.098 > 49 52 K 0.83771190505982 0.57459048534018 0.87500000000000 39.098 > 49 53 K 0.16228809494018 0.07459048534018 0.37500000000000 39.098 > 53 54 K 0.16228809494018 0.57459048534018 0.37500000000000 39.098 > 53 55 K 0.16228809494018 0.07459048534018 0.87500000000000 39.098 > 53 56 K 0.16228809494018 0.57459048534018 0.87500000000000 39.098 > 53 57 K 0.16228809494018 0.42540951465982 0.12500000000000 39.098 > 57 58 K 0.16228809494018 0.92540951465982 0.12500000000000 39.098 > 57 59 K 0.16228809494018 0.42540951465982 0.62500000000000 39.098 > 57 60 K 0.16228809494018 0.92540951465982 0.62500000000000 39.098 > 57 61 K 0.83771190505982 0.42540951465982 0.12500000000000 39.098 > 61 62 K 0.83771190505982 0.92540951465982 0.12500000000000 39.098 > 61 63 K 0.83771190505982 0.42540951465982 0.62500000000000 39.098 > 61 64 K 0.83771190505982 0.92540951465982 0.62500000000000 39.098 > 61 65 K 0.33771190505982 0.32459048534018 0.37500000000000 39.098 > 49 66 K 0.33771190505982 0.82459048534018 0.37500000000000 39.098 > 49 67 K 0.33771190505982 0.32459048534018 0.87500000000000 39.098 > 49 68 K 0.33771190505982 0.82459048534018 0.87500000000000 39.098 > 49 69 K 0.66228809494018 0.32459048534018 0.37500000000000 39.098 > 53 70 K 0.66228809494018 0.82459048534018 0.37500000000000 39.098 > 53 71 K 0.66228809494018 0.32459048534018 0.87500000000000 39.098 > 53 72 K 0.66228809494018 0.82459048534018 0.87500000000000 39.098 > 53 73 K 0.66228809494018 0.17540951465982 0.12500000000000 39.098 > 57 74 K 0.66228809494018 0.67540951465982 0.12500000000000 39.098 > 57 75 K 0.66228809494018 0.17540951465982 0.62500000000000 39.098 > 57 76 K 0.66228809494018 0.67540951465982 0.62500000000000 39.098 > 57 77 K 0.33771190505982 0.17540951465982 0.12500000000000 39.098 > 61 78 K 0.33771190505982 0.67540951465982 0.12500000000000 39.098 > 61 79 K 0.33771190505982 0.17540951465982 0.62500000000000 39.098 > 61 80 K 0.33771190505982 0.67540951465982 0.62500000000000 39.098 > 61 81 Ti 0.50000000000000 0.45752875924303 0.12500000000000 47.867 > 81 82 Ti 0.50000000000000 0.95752875924303 0.12500000000000 47.867 > 81 83 Ti 0.50000000000000 0.45752875924303 0.62500000000000 47.867 > 81 84 Ti 0.50000000000000 0.95752875924303 0.62500000000000 47.867 > 81 85 Ti 0.50000000000000 0.04247124075697 0.37500000000000 47.867 > 85 86 Ti 0.50000000000000 0.54247124075697 0.37500000000000 47.867 > 85 87 Ti 0.50000000000000 0.04247124075697 0.87500000000000 47.867 > 85 88 Ti 0.50000000000000 0.54247124075697 0.87500000000000 47.867 > 85 89 Ti 0.00000000000000 0.20752875924303 0.12500000000000 47.867 > 81 90 Ti 0.00000000000000 0.70752875924303 0.12500000000000 47.867 > 81 91 Ti 0.00000000000000 0.20752875924303 0.62500000000000 47.867 > 81 92 Ti 0.00000000000000 0.70752875924303 0.62500000000000 47.867 > 81 93 Ti 0.00000000000000 0.29247124075697 0.37500000000000 47.867 > 85 94 Ti 0.00000000000000 0.79247124075697 0.37500000000000 47.867 > 85 95 Ti 0.00000000000000 0.29247124075697 0.87500000000000 47.867 > 85 96 Ti 0.00000000000000 0.79247124075697 0.87500000000000 47.867 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9925193 0.0000000 0.0000000 0.0000000 3.2387579 0.0000000 0.0000000 0.0000000 3.7778915 -------------------------- Born effective charges -------------------------- 1 O -1.1108746 0.0000000 0.0000000 0.0000000 -3.1890428 0.0000000 0.0000000 0.0000000 -1.1789831 2 O -1.1108746 0.0000000 0.0000000 0.0000000 -3.1890428 0.0000000 0.0000000 0.0000000 -1.1789831 3 O -1.9312663 0.0000000 0.0000000 0.0000000 -1.1517656 0.5002711 0.0000000 0.9243293 -3.1809116 4 O -1.9312663 0.0000000 0.0000000 0.0000000 -1.1517656 -0.5002711 0.0000000 -0.9243293 -3.1809116 5 O -1.9312663 0.0000000 0.0000000 0.0000000 -1.1517656 -0.5002711 0.0000000 -0.9243293 -3.1809116 6 O -1.9312663 0.0000000 0.0000000 0.0000000 -1.1517656 0.5002711 0.0000000 0.9243293 -3.1809116 7 K 1.2969273 0.2238695 0.0000000 0.1368234 1.3044454 0.0000000 0.0000000 0.0000000 1.1002463 8 K 1.2969273 -0.2238695 0.0000000 -0.1368234 1.3044454 0.0000000 0.0000000 0.0000000 1.1002463 9 K 1.2969273 0.2238695 0.0000000 0.1368234 1.3044454 0.0000000 0.0000000 0.0000000 1.1002463 10 K 1.2969273 -0.2238695 0.0000000 -0.1368234 1.3044454 0.0000000 0.0000000 0.0000000 1.1002463 11 Ti 2.3795526 0.0000000 0.0000000 0.0000000 2.8836831 0.0000000 0.0000000 0.0000000 5.3403138 12 Ti 2.3795526 0.0000000 0.0000000 0.0000000 2.8836831 0.0000000 0.0000000 0.0000000 5.3403138 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, 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[ 81, 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: 0.00000004 (zyz) 0.00000004 (zyz) 0.00000004 (zzy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:13:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:13:25]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.042350140000001 -3.492052554999999 0.000000000000000 b 5.042350140000001 3.492052554999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.442124170000000 Atomic positions (fractional): 1 O 0.83773660839285 0.16226339160715 0.25000000000000 15.999 2 O 0.16226339160715 0.83773660839285 0.75000000000000 15.999 3 O 0.62574885404033 0.62574885404033 0.00000000000000 15.999 4 O 0.37425114595967 0.37425114595967 0.50000000000000 15.999 5 O 0.62574885404033 0.62574885404033 0.50000000000000 15.999 6 O 0.37425114595967 0.37425114595967 0.00000000000000 15.999 7 K 0.68853093437945 0.98689287574018 0.75000000000000 39.098 8 K 0.01310712425982 0.31146906562055 0.75000000000000 39.098 9 K 0.31146906562055 0.01310712425982 0.25000000000000 39.098 10 K 0.98689287574018 0.68853093437945 0.25000000000000 39.098 11 Ti 0.58494248151394 0.41505751848606 0.25000000000000 47.867 12 Ti 0.41505751848606 0.58494248151394 0.75000000000000 47.867 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.084700280000002 0.000000000000000 0.000000000000000 b 0.000000000000000 13.968210219999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.884248339999999 Atomic positions (fractional): 1 O 0.50000000000000 0.33113169580358 0.12500000000000 15.999 > 1 2 O 0.50000000000000 0.83113169580358 0.12500000000000 15.999 > 1 3 O 0.50000000000000 0.33113169580358 0.62500000000000 15.999 > 1 4 O 0.50000000000000 0.83113169580358 0.62500000000000 15.999 > 1 5 O 0.50000000000000 0.16886830419642 0.37500000000000 15.999 > 5 6 O 0.50000000000000 0.66886830419642 0.37500000000000 15.999 > 5 7 O 0.50000000000000 0.16886830419642 0.87500000000000 15.999 > 5 8 O 0.50000000000000 0.66886830419642 0.87500000000000 15.999 > 5 9 O 0.62574885404033 0.00000000000000 0.00000000000000 15.999 > 9 10 O 0.62574885404033 0.50000000000000 0.00000000000000 15.999 > 9 11 O 0.62574885404033 0.00000000000000 0.50000000000000 15.999 > 9 12 O 0.62574885404033 0.50000000000000 0.50000000000000 15.999 > 9 13 O 0.37425114595967 0.00000000000000 0.25000000000000 15.999 > 13 14 O 0.37425114595967 0.50000000000000 0.25000000000000 15.999 > 13 15 O 0.37425114595967 0.00000000000000 0.75000000000000 15.999 > 13 16 O 0.37425114595967 0.50000000000000 0.75000000000000 15.999 > 13 17 O 0.62574885404033 0.00000000000000 0.25000000000000 15.999 > 17 18 O 0.62574885404033 0.50000000000000 0.25000000000000 15.999 > 17 19 O 0.62574885404033 0.00000000000000 0.75000000000000 15.999 > 17 20 O 0.62574885404033 0.50000000000000 0.75000000000000 15.999 > 17 21 O 0.37425114595967 0.00000000000000 0.00000000000000 15.999 > 21 22 O 0.37425114595967 0.50000000000000 0.00000000000000 15.999 > 21 23 O 0.37425114595967 0.00000000000000 0.50000000000000 15.999 > 21 24 O 0.37425114595967 0.50000000000000 0.50000000000000 15.999 > 21 25 O 0.00000000000000 0.08113169580358 0.12500000000000 15.999 > 1 26 O 0.00000000000000 0.58113169580358 0.12500000000000 15.999 > 1 27 O 0.00000000000000 0.08113169580358 0.62500000000000 15.999 > 1 28 O 0.00000000000000 0.58113169580358 0.62500000000000 15.999 > 1 29 O 0.00000000000000 0.41886830419642 0.37500000000000 15.999 > 5 30 O 0.00000000000000 0.91886830419642 0.37500000000000 15.999 > 5 31 O 0.00000000000000 0.41886830419642 0.87500000000000 15.999 > 5 32 O 0.00000000000000 0.91886830419642 0.87500000000000 15.999 > 5 33 O 0.12574885404033 0.25000000000000 0.00000000000000 15.999 > 9 34 O 0.12574885404033 0.75000000000000 0.00000000000000 15.999 > 9 35 O 0.12574885404033 0.25000000000000 0.50000000000000 15.999 > 9 36 O 0.12574885404033 0.75000000000000 0.50000000000000 15.999 > 9 37 O 0.87425114595967 0.25000000000000 0.25000000000000 15.999 > 13 38 O 0.87425114595967 0.75000000000000 0.25000000000000 15.999 > 13 39 O 0.87425114595967 0.25000000000000 0.75000000000000 15.999 > 13 40 O 0.87425114595967 0.75000000000000 0.75000000000000 15.999 > 13 41 O 0.12574885404033 0.25000000000000 0.25000000000000 15.999 > 17 42 O 0.12574885404033 0.75000000000000 0.25000000000000 15.999 > 17 43 O 0.12574885404033 0.25000000000000 0.75000000000000 15.999 > 17 44 O 0.12574885404033 0.75000000000000 0.75000000000000 15.999 > 17 45 O 0.87425114595967 0.25000000000000 0.00000000000000 15.999 > 21 46 O 0.87425114595967 0.75000000000000 0.00000000000000 15.999 > 21 47 O 0.87425114595967 0.25000000000000 0.50000000000000 15.999 > 21 48 O 0.87425114595967 0.75000000000000 0.50000000000000 15.999 > 21 49 K 0.83771190505982 0.07459048534018 0.37500000000000 39.098 > 49 50 K 0.83771190505982 0.57459048534018 0.37500000000000 39.098 > 49 51 K 0.83771190505982 0.07459048534018 0.87500000000000 39.098 > 49 52 K 0.83771190505982 0.57459048534018 0.87500000000000 39.098 > 49 53 K 0.16228809494018 0.07459048534018 0.37500000000000 39.098 > 53 54 K 0.16228809494018 0.57459048534018 0.37500000000000 39.098 > 53 55 K 0.16228809494018 0.07459048534018 0.87500000000000 39.098 > 53 56 K 0.16228809494018 0.57459048534018 0.87500000000000 39.098 > 53 57 K 0.16228809494018 0.42540951465982 0.12500000000000 39.098 > 57 58 K 0.16228809494018 0.92540951465982 0.12500000000000 39.098 > 57 59 K 0.16228809494018 0.42540951465982 0.62500000000000 39.098 > 57 60 K 0.16228809494018 0.92540951465982 0.62500000000000 39.098 > 57 61 K 0.83771190505982 0.42540951465982 0.12500000000000 39.098 > 61 62 K 0.83771190505982 0.92540951465982 0.12500000000000 39.098 > 61 63 K 0.83771190505982 0.42540951465982 0.62500000000000 39.098 > 61 64 K 0.83771190505982 0.92540951465982 0.62500000000000 39.098 > 61 65 K 0.33771190505982 0.32459048534018 0.37500000000000 39.098 > 49 66 K 0.33771190505982 0.82459048534018 0.37500000000000 39.098 > 49 67 K 0.33771190505982 0.32459048534018 0.87500000000000 39.098 > 49 68 K 0.33771190505982 0.82459048534018 0.87500000000000 39.098 > 49 69 K 0.66228809494018 0.32459048534018 0.37500000000000 39.098 > 53 70 K 0.66228809494018 0.82459048534018 0.37500000000000 39.098 > 53 71 K 0.66228809494018 0.32459048534018 0.87500000000000 39.098 > 53 72 K 0.66228809494018 0.82459048534018 0.87500000000000 39.098 > 53 73 K 0.66228809494018 0.17540951465982 0.12500000000000 39.098 > 57 74 K 0.66228809494018 0.67540951465982 0.12500000000000 39.098 > 57 75 K 0.66228809494018 0.17540951465982 0.62500000000000 39.098 > 57 76 K 0.66228809494018 0.67540951465982 0.62500000000000 39.098 > 57 77 K 0.33771190505982 0.17540951465982 0.12500000000000 39.098 > 61 78 K 0.33771190505982 0.67540951465982 0.12500000000000 39.098 > 61 79 K 0.33771190505982 0.17540951465982 0.62500000000000 39.098 > 61 80 K 0.33771190505982 0.67540951465982 0.62500000000000 39.098 > 61 81 Ti 0.50000000000000 0.45752875924303 0.12500000000000 47.867 > 81 82 Ti 0.50000000000000 0.95752875924303 0.12500000000000 47.867 > 81 83 Ti 0.50000000000000 0.45752875924303 0.62500000000000 47.867 > 81 84 Ti 0.50000000000000 0.95752875924303 0.62500000000000 47.867 > 81 85 Ti 0.50000000000000 0.04247124075697 0.37500000000000 47.867 > 85 86 Ti 0.50000000000000 0.54247124075697 0.37500000000000 47.867 > 85 87 Ti 0.50000000000000 0.04247124075697 0.87500000000000 47.867 > 85 88 Ti 0.50000000000000 0.54247124075697 0.87500000000000 47.867 > 85 89 Ti 0.00000000000000 0.20752875924303 0.12500000000000 47.867 > 81 90 Ti 0.00000000000000 0.70752875924303 0.12500000000000 47.867 > 81 91 Ti 0.00000000000000 0.20752875924303 0.62500000000000 47.867 > 81 92 Ti 0.00000000000000 0.70752875924303 0.62500000000000 47.867 > 81 93 Ti 0.00000000000000 0.29247124075697 0.37500000000000 47.867 > 85 94 Ti 0.00000000000000 0.79247124075697 0.37500000000000 47.867 > 85 95 Ti 0.00000000000000 0.29247124075697 0.87500000000000 47.867 > 85 96 Ti 0.00000000000000 0.79247124075697 0.87500000000000 47.867 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.9925193 0.0000000 0.0000000 0.0000000 3.2387579 0.0000000 0.0000000 0.0000000 3.7778915 -------------------------- Born effective charges -------------------------- 1 O -1.1108746 0.0000000 0.0000000 0.0000000 -3.1890428 0.0000000 0.0000000 0.0000000 -1.1789831 2 O -1.1108746 0.0000000 0.0000000 0.0000000 -3.1890428 0.0000000 0.0000000 0.0000000 -1.1789831 3 O -1.9312663 0.0000000 0.0000000 0.0000000 -1.1517656 0.5002711 0.0000000 0.9243293 -3.1809116 4 O -1.9312663 0.0000000 0.0000000 0.0000000 -1.1517656 -0.5002711 0.0000000 -0.9243293 -3.1809116 5 O -1.9312663 0.0000000 0.0000000 0.0000000 -1.1517656 -0.5002711 0.0000000 -0.9243293 -3.1809116 6 O -1.9312663 0.0000000 0.0000000 0.0000000 -1.1517656 0.5002711 0.0000000 0.9243293 -3.1809116 7 K 1.2969273 0.2238695 0.0000000 0.1368234 1.3044454 0.0000000 0.0000000 0.0000000 1.1002463 8 K 1.2969273 -0.2238695 0.0000000 -0.1368234 1.3044454 0.0000000 0.0000000 0.0000000 1.1002463 9 K 1.2969273 0.2238695 0.0000000 0.1368234 1.3044454 0.0000000 0.0000000 0.0000000 1.1002463 10 K 1.2969273 -0.2238695 0.0000000 -0.1368234 1.3044454 0.0000000 0.0000000 0.0000000 1.1002463 11 Ti 2.3795526 0.0000000 0.0000000 0.0000000 2.8836831 0.0000000 0.0000000 0.0000000 5.3403138 12 Ti 2.3795526 0.0000000 0.0000000 0.0000000 2.8836831 0.0000000 0.0000000 0.0000000 5.3403138 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000004 (zyz) 0.00000004 (zyz) 0.00000004 (zzy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 9 ] 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: 0.72, Number of G-points: 293, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/125) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency 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 1.402 ( 0.000 0.000 0.000) 0.000 2.832 ( 0.000 0.000 0.000) 0.000 3.045 ( 0.000 0.000 0.000) 0.000 3.377 ( 0.000 0.000 0.000) 0.000 3.930 ( 0.000 0.000 0.000) 0.000 4.155 ( 0.000 0.000 0.000) 0.000 4.185 ( 0.000 0.000 0.000) 0.000 4.191 ( 0.000 0.000 0.000) 0.000 4.253 ( 0.000 0.000 0.000) 0.000 4.279 ( 0.000 0.000 0.000) 0.000 4.340 ( 0.000 0.000 0.000) 0.000 4.567 ( 0.000 0.000 0.000) 0.000 5.296 ( 0.000 0.000 0.000) 0.000 5.320 ( 0.000 0.000 0.000) 0.000 5.530 ( 0.000 0.000 0.000) 0.000 6.212 ( 0.000 0.000 0.000) 0.000 6.372 ( 0.000 0.000 0.000) 0.000 7.754 ( 0.000 0.000 0.000) 0.000 8.397 ( 0.000 0.000 0.000) 0.000 9.487 ( 0.000 0.000 0.000) 0.000 9.987 ( 0.000 0.000 0.000) 0.000 10.763 ( 0.000 0.000 0.000) 0.000 11.852 ( 0.000 0.000 0.000) 0.000 12.395 ( 0.000 0.000 0.000) 0.000 12.529 ( 0.000 0.000 0.000) 0.000 12.745 ( 0.000 0.000 0.000) 0.000 15.501 ( 0.000 0.000 0.000) 0.000 17.145 ( 0.000 0.000 0.000) 0.000 17.373 ( 0.000 0.000 0.000) 0.000 18.431 ( 0.000 0.000 0.000) 0.000 20.095 ( 0.000 0.000 0.000) 0.000 22.737 ( 0.000 0.000 0.000) 0.000 24.235 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/125) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( 5.982 -29.966 0.000) 30.557 0.591 ( 19.586 -22.945 0.000) 30.167 1.058 ( 30.389 -44.611 0.000) 53.978 1.555 ( -1.568 -19.363 0.000) 19.426 2.819 ( -2.878 -0.116 0.000) 2.880 2.978 ( 0.049 7.307 0.000) 7.307 3.419 ( -1.417 -4.805 0.000) 5.009 3.848 ( 1.602 10.175 0.000) 10.301 4.005 ( 1.514 10.921 0.000) 11.025 4.168 ( -2.397 6.099 0.000) 6.553 4.267 ( -4.716 1.910 0.000) 5.088 4.308 ( -3.647 -4.616 0.000) 5.883 4.330 ( 0.172 -9.335 0.000) 9.336 4.527 ( 5.382 -3.975 0.000) 6.691 4.569 ( -0.622 -0.811 0.000) 1.023 5.139 ( -9.248 5.678 0.000) 10.852 5.532 ( 16.310 1.798 0.000) 16.408 6.126 ( 0.226 10.727 0.000) 10.729 6.350 ( -3.788 0.915 0.000) 3.897 6.828 ( 3.048 12.494 0.000) 12.860 7.701 ( -1.052 5.321 0.000) 5.424 8.402 ( -2.745 -2.191 0.000) 3.512 9.516 ( 0.165 -3.337 0.000) 3.341 10.032 ( 0.954 -4.761 0.000) 4.856 10.764 ( 0.062 -0.087 0.000) 0.107 11.847 ( -0.259 2.014 0.000) 2.030 12.400 ( 0.536 -0.255 0.000) 0.594 12.530 ( -0.015 -0.104 0.000) 0.105 12.738 ( -0.355 0.669 0.000) 0.757 15.507 ( 0.720 -0.236 0.000) 0.758 17.367 ( -0.519 0.376 0.000) 0.640 17.700 ( 69.331 43.118 0.000) 81.645 18.437 ( 1.375 0.223 0.000) 1.393 20.383 ( -2.614 -1.387 0.000) 2.959 24.240 ( 1.783 0.575 0.000) 1.873 24.685 ( -84.040 -55.362 0.000) 100.636 ======================= Grid point 2 (3/125) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 6.076 -25.309 0.000) 26.028 1.151 ( 18.748 -20.571 0.000) 27.833 1.927 ( -2.926 -28.249 0.000) 28.400 2.068 ( 27.713 -40.668 0.000) 49.213 2.769 ( -5.051 0.239 0.000) 5.057 2.842 ( 1.475 10.285 0.000) 10.390 3.453 ( -5.957 -3.598 0.000) 6.959 3.667 ( -2.798 11.874 0.000) 12.199 3.875 ( 5.001 9.267 0.000) 10.530 3.996 ( 0.607 13.604 0.000) 13.617 4.174 ( -1.540 3.036 0.000) 3.404 4.386 ( -1.881 -7.813 0.000) 8.036 4.475 ( -0.309 -9.240 0.000) 9.245 4.581 ( -0.537 -1.637 0.000) 1.723 4.634 ( 2.105 -3.433 0.000) 4.027 4.959 ( -8.893 3.890 0.000) 9.707 5.655 ( 12.687 3.192 0.000) 13.082 5.890 ( 0.429 18.860 0.000) 18.865 6.205 ( -14.703 6.213 0.000) 15.961 6.669 ( 1.743 8.138 0.000) 8.322 7.587 ( -0.677 6.998 0.000) 7.030 8.394 ( -4.590 -1.720 0.000) 4.902 9.586 ( 0.231 -4.794 0.000) 4.799 10.142 ( 1.232 -6.828 0.000) 6.939 10.767 ( 0.101 -0.142 0.000) 0.175 11.798 ( 0.247 3.970 0.000) 3.978 12.413 ( 0.903 -0.432 0.000) 1.001 12.531 ( -0.097 -0.125 0.000) 0.158 12.719 ( -0.549 1.041 0.000) 1.177 15.522 ( 1.111 -0.368 0.000) 1.170 17.352 ( -0.798 0.577 0.000) 0.985 17.803 ( 31.257 14.166 0.000) 34.317 18.452 ( 2.206 0.403 0.000) 2.242 20.374 ( -1.506 -0.440 0.000) 1.568 24.256 ( 3.934 1.403 0.000) 4.177 24.622 ( -42.081 -24.362 0.000) 48.625 ======================= Grid point 3 (4/125) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 5.085 -21.079 0.000) 21.684 1.650 ( 17.273 -16.979 0.000) 24.220 2.306 ( -4.203 -20.662 0.000) 21.085 2.583 ( -5.124 1.036 0.000) 5.227 2.705 ( 3.273 8.444 0.000) 9.056 3.051 ( 20.906 -31.417 0.000) 37.737 3.403 ( -7.543 -0.633 0.000) 7.569 3.427 ( -8.380 7.693 0.000) 11.376 3.772 ( 1.714 15.241 0.000) 15.337 3.820 ( 5.542 5.538 0.000) 7.835 4.173 ( 5.469 -0.107 0.000) 5.470 4.492 ( -0.920 -6.604 0.000) 6.668 4.585 ( -0.879 -2.975 0.000) 3.102 4.654 ( 0.261 -10.522 0.000) 10.525 4.669 ( -2.120 -1.399 0.000) 2.540 4.837 ( -3.776 2.196 0.000) 4.369 5.557 ( 0.515 22.889 0.000) 22.895 5.657 ( 7.306 17.298 0.000) 18.778 5.888 ( -20.310 0.682 0.000) 20.321 6.617 ( 2.499 2.580 0.000) 3.592 7.483 ( 0.125 5.340 0.000) 5.342 8.362 ( -4.125 -0.616 0.000) 4.171 9.661 ( 0.184 -3.951 0.000) 3.955 10.257 ( 0.881 -5.680 0.000) 5.748 10.771 ( 0.096 -0.135 0.000) 0.166 11.735 ( 0.178 3.935 0.000) 3.939 12.431 ( 0.906 -0.433 0.000) 1.004 12.531 ( -0.187 -0.065 0.000) 0.198 12.696 ( -0.490 0.936 0.000) 1.056 15.540 ( 0.981 -0.328 0.000) 1.034 17.334 ( -0.705 0.509 0.000) 0.870 17.919 ( 15.680 4.280 0.000) 16.254 18.470 ( 2.052 0.448 0.000) 2.100 20.365 ( -0.888 -0.141 0.000) 0.899 24.282 ( 6.153 2.340 0.000) 6.583 24.541 ( -26.061 -12.959 0.000) 29.105 ======================= Grid point 4 (5/125) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( 2.594 -12.069 0.000) 12.345 2.068 ( 14.661 -13.268 0.000) 19.774 2.369 ( -2.146 3.989 0.000) 4.530 2.404 ( -10.608 8.891 0.000) 13.841 2.731 ( 1.327 -4.669 0.000) 4.854 3.223 ( -4.012 2.107 0.000) 4.532 3.344 ( -3.250 -0.089 0.000) 3.251 3.585 ( -0.405 6.118 0.000) 6.132 3.715 ( 10.844 -15.227 0.000) 18.694 3.802 ( 2.102 2.150 0.000) 3.007 4.281 ( 5.705 -4.281 0.000) 7.133 4.523 ( -1.216 1.316 0.000) 1.791 4.605 ( -0.193 -0.708 0.000) 0.734 4.717 ( -0.452 -7.960 0.000) 7.973 4.800 ( 3.661 2.322 0.000) 4.335 4.877 ( -0.109 -16.853 0.000) 16.853 5.199 ( 0.378 21.760 0.000) 21.763 5.246 ( -13.052 18.536 0.000) 22.671 5.831 ( -1.779 -1.512 0.000) 2.335 6.614 ( 0.958 0.547 0.000) 1.103 7.426 ( 0.208 1.934 0.000) 1.945 8.333 ( -1.623 -0.088 0.000) 1.626 9.707 ( 0.068 -1.501 0.000) 1.503 10.329 ( 0.303 -2.195 0.000) 2.215 10.773 ( 0.040 -0.056 0.000) 0.069 11.689 ( 0.043 1.670 0.000) 1.670 12.444 ( 0.401 -0.190 0.000) 0.444 12.530 ( -0.113 -0.010 0.000) 0.113 12.681 ( -0.197 0.376 0.000) 0.424 15.552 ( 0.388 -0.130 0.000) 0.409 17.323 ( -0.279 0.202 0.000) 0.345 17.995 ( 4.871 0.767 0.000) 4.931 18.481 ( 0.843 0.213 0.000) 0.870 20.360 ( -0.292 -0.033 0.000) 0.294 24.312 ( 4.789 1.868 0.000) 5.140 24.474 ( -11.166 -5.000 0.000) 12.235 ======================= Grid point 10 (6/125) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.371 ( 15.967 0.000 0.000) 15.967 0.592 ( 27.334 0.000 0.000) 27.334 1.267 ( 56.644 0.000 0.000) 56.644 1.371 ( -2.419 -0.000 0.000) 2.419 2.723 ( -9.589 -0.000 0.000) 9.589 3.031 ( -1.343 -0.000 0.000) 1.343 3.370 ( -0.561 -0.000 0.000) 0.561 3.979 ( 2.368 0.000 0.000) 2.368 4.159 ( 0.367 0.000 0.000) 0.367 4.166 ( 0.907 0.000 0.000) 0.907 4.199 ( -6.752 -0.000 0.000) 6.752 4.209 ( 2.092 0.000 0.000) 2.092 4.412 ( 4.563 0.000 0.000) 4.563 4.467 ( 1.487 0.000 0.000) 1.487 4.551 ( -1.374 -0.000 0.000) 1.374 5.143 ( -12.546 -0.000 0.000) 12.546 5.441 ( -7.205 -0.000 0.000) 7.205 6.217 ( 0.394 0.000 0.000) 0.394 6.405 ( 2.380 0.000 0.000) 2.380 7.001 ( -5.301 -0.000 0.000) 5.301 7.719 ( -3.163 -0.000 0.000) 3.163 8.420 ( 1.973 0.000 0.000) 1.973 9.491 ( 0.336 0.000 0.000) 0.336 9.929 ( -4.782 -0.000 0.000) 4.782 10.765 ( 0.125 0.000 0.000) 0.125 11.876 ( 1.920 0.000 0.000) 1.920 12.406 ( 1.030 0.000 0.000) 1.030 12.529 ( 0.001 0.000 0.000) 0.001 12.737 ( -0.715 -0.000 0.000) 0.715 15.516 ( 1.281 0.000 0.000) 1.281 17.361 ( -1.029 -0.000 0.000) 1.029 18.456 ( 2.306 0.000 0.000) 2.306 19.613 ( -4.184 -0.000 0.000) 4.184 20.095 ( -0.028 -0.000 0.000) 0.028 22.733 ( -0.305 -0.000 0.000) 0.305 24.277 ( 3.697 0.000 0.000) 3.697 ======================= Grid point 11 (7/125) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( 11.187 -23.333 0.000) 25.876 1.067 ( 23.902 -17.900 0.000) 29.862 1.498 ( -3.124 -18.685 0.000) 18.944 2.024 ( 48.964 -17.649 0.000) 52.047 2.634 ( -12.601 -3.854 0.000) 13.177 2.974 ( -0.663 4.782 0.000) 4.828 3.365 ( -3.149 -0.408 0.000) 3.175 3.796 ( -7.761 15.116 0.000) 16.992 4.064 ( 3.572 8.083 0.000) 8.837 4.183 ( 0.847 -0.959 0.000) 1.280 4.235 ( 1.696 -4.558 0.000) 4.863 4.308 ( 3.571 10.689 0.000) 11.270 4.336 ( 0.357 -8.012 0.000) 8.020 4.545 ( -1.418 -1.450 0.000) 2.028 4.578 ( 0.053 -5.242 0.000) 5.242 4.935 ( -9.424 4.645 0.000) 10.506 5.508 ( -11.460 -14.523 0.000) 18.500 6.135 ( 0.508 10.700 0.000) 10.712 6.335 ( 0.860 12.164 0.000) 12.195 6.822 ( -3.614 10.151 0.000) 10.775 7.644 ( -4.237 3.616 0.000) 5.570 8.400 ( 1.872 3.868 0.000) 4.298 9.523 ( 0.407 -3.262 0.000) 3.287 9.965 ( -5.888 -9.972 0.000) 11.581 10.767 ( 0.165 -0.071 0.000) 0.180 11.873 ( 2.075 3.083 0.000) 3.716 12.421 ( 1.325 -0.166 0.000) 1.336 12.529 ( -0.025 -0.038 0.000) 0.046 12.723 ( -0.917 0.554 0.000) 1.072 15.533 ( 1.550 -0.132 0.000) 1.556 17.346 ( -1.296 0.216 0.000) 1.313 18.474 ( 3.874 2.803 0.000) 4.782 18.788 ( 25.015 54.123 0.000) 59.624 20.294 ( -4.644 -7.490 0.000) 8.813 23.406 ( -30.970 -59.151 0.000) 66.769 24.328 ( 5.332 -0.309 0.000) 5.341 ======================= Grid point 12 (8/125) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 9.367 -21.240 0.000) 23.214 1.604 ( 22.415 -16.558 0.000) 27.868 1.846 ( -4.055 -27.949 0.000) 28.242 2.493 ( -9.819 -2.683 0.000) 10.179 2.879 ( 1.600 7.766 0.000) 7.929 2.896 ( 34.313 -23.572 0.000) 41.630 3.301 ( -7.362 0.361 0.000) 7.371 3.425 ( -15.272 13.644 0.000) 20.479 3.996 ( 5.638 7.321 0.000) 9.240 4.106 ( 2.235 14.553 0.000) 14.723 4.233 ( 5.978 1.541 0.000) 6.173 4.367 ( 0.745 -7.535 0.000) 7.571 4.462 ( -0.919 -8.496 0.000) 8.546 4.570 ( -0.436 -2.939 0.000) 2.971 4.620 ( -1.948 -2.195 0.000) 2.934 4.829 ( -2.426 0.673 0.000) 2.517 5.569 ( -17.628 -10.973 0.000) 20.765 5.901 ( 0.521 18.853 0.000) 18.861 6.039 ( 0.124 22.091 0.000) 22.091 6.686 ( -0.958 4.258 0.000) 4.364 7.533 ( -4.375 3.852 0.000) 5.829 8.359 ( 0.965 2.938 0.000) 3.093 9.593 ( 0.354 -4.637 0.000) 4.651 10.078 ( -6.025 -11.740 0.000) 13.196 10.770 ( 0.163 -0.095 0.000) 0.188 11.828 ( 2.033 5.204 0.000) 5.587 12.438 ( 1.240 -0.136 0.000) 1.247 12.530 ( -0.037 -0.018 0.000) 0.041 12.702 ( -0.872 0.746 0.000) 1.148 15.551 ( 1.339 0.017 0.000) 1.339 17.329 ( -1.191 0.168 0.000) 1.203 18.362 ( 16.263 22.758 0.000) 27.972 18.542 ( 6.856 6.326 0.000) 9.329 20.325 ( -2.815 -2.763 0.000) 3.945 23.793 ( -28.425 -34.256 0.000) 44.513 24.408 ( 7.290 -1.016 0.000) 7.361 ======================= Grid point 13 (9/125) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 7.489 -16.769 0.000) 18.366 2.065 ( 20.086 -11.378 0.000) 23.085 2.210 ( -4.446 -20.045 0.000) 20.532 2.377 ( -12.151 1.907 0.000) 12.300 2.770 ( 2.483 7.379 0.000) 7.786 3.081 ( -16.586 3.552 0.000) 16.962 3.232 ( -7.690 -3.345 0.000) 8.386 3.569 ( 19.041 -15.589 0.000) 24.609 3.911 ( 8.241 13.298 0.000) 15.645 3.938 ( 4.961 7.553 0.000) 9.036 4.254 ( -1.320 -0.520 0.000) 1.419 4.486 ( 0.087 -6.082 0.000) 6.083 4.570 ( -0.311 -4.305 0.000) 4.316 4.654 ( -0.401 -10.026 0.000) 10.034 4.659 ( 4.188 -1.918 0.000) 4.606 4.842 ( 3.291 -1.870 0.000) 3.785 5.339 ( -20.581 11.949 0.000) 23.799 5.567 ( 0.349 23.000 0.000) 23.003 5.832 ( 3.187 4.905 0.000) 5.850 6.632 ( -1.534 1.558 0.000) 2.187 7.435 ( -4.295 2.149 0.000) 4.803 8.338 ( 1.499 1.093 0.000) 1.855 9.666 ( 0.227 -3.753 0.000) 3.760 10.187 ( -6.251 -10.040 0.000) 11.827 10.773 ( 0.111 -0.050 0.000) 0.122 11.764 ( 2.032 5.282 0.000) 5.659 12.449 ( 0.652 0.149 0.000) 0.669 12.530 ( 0.119 -0.014 0.000) 0.120 12.684 ( -0.591 0.468 0.000) 0.754 15.560 ( 0.724 0.329 0.000) 0.796 17.317 ( -0.760 -0.122 0.000) 0.769 18.217 ( 10.584 14.965 0.000) 18.329 18.528 ( 3.091 3.229 0.000) 4.470 20.334 ( -1.855 -1.788 0.000) 2.576 23.950 ( -21.062 -21.217 0.000) 29.896 24.522 ( 9.884 -1.464 0.000) 9.992 ======================= Grid point 14 (10/125) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( 4.950 -4.670 0.000) 6.805 2.124 ( -13.967 10.461 0.000) 17.450 2.302 ( -3.911 -1.619 0.000) 4.233 2.408 ( 16.222 -5.725 0.000) 17.203 2.758 ( 0.990 -1.326 0.000) 1.655 2.996 ( -11.748 -11.438 0.000) 16.397 3.258 ( -3.991 -8.030 0.000) 8.967 3.650 ( 0.199 5.163 0.000) 5.167 3.864 ( 3.070 7.140 0.000) 7.773 3.937 ( 9.361 10.779 0.000) 14.276 4.218 ( -9.849 0.316 0.000) 9.854 4.540 ( 1.830 -0.586 0.000) 1.922 4.606 ( 0.277 -0.877 0.000) 0.919 4.725 ( 0.196 -2.234 0.000) 2.243 4.868 ( 0.655 8.725 0.000) 8.749 4.870 ( -0.506 -17.038 0.000) 17.045 5.121 ( 4.674 -9.267 0.000) 10.378 5.203 ( -0.007 22.033 0.000) 22.033 5.852 ( 3.771 -1.899 0.000) 4.223 6.593 ( -3.191 0.244 0.000) 3.200 7.377 ( -4.122 -0.820 0.000) 4.203 8.362 ( 3.615 -0.535 0.000) 3.655 9.709 ( 0.086 -1.299 0.000) 1.302 10.248 ( -6.565 -6.251 0.000) 9.065 10.774 ( 0.032 0.049 0.000) 0.058 11.717 ( 2.059 3.128 0.000) 3.745 12.447 ( -0.115 0.528 0.000) 0.541 12.533 ( 0.317 0.006 0.000) 0.317 12.677 ( -0.197 -0.171 0.000) 0.261 15.556 ( -0.004 0.643 0.000) 0.643 17.317 ( -0.205 -0.518 0.000) 0.557 18.085 ( 3.054 12.017 0.000) 12.399 18.502 ( 0.953 2.774 0.000) 2.933 20.344 ( -1.058 -1.471 0.000) 1.812 24.034 ( -13.996 -14.217 0.000) 19.950 24.673 ( 13.038 -1.588 0.000) 13.135 ======================= Grid point 15 (11/125) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( -12.176 16.409 0.000) 20.433 1.796 ( -0.614 18.611 0.000) 18.621 2.399 ( 0.657 -10.937 0.000) 10.957 2.616 ( 9.290 -2.534 0.000) 9.629 2.705 ( -0.903 9.387 0.000) 9.431 3.119 ( -7.838 -15.180 0.000) 17.084 3.387 ( 0.777 -9.737 0.000) 9.768 3.417 ( -14.221 25.044 0.000) 28.800 3.782 ( 0.072 5.453 0.000) 5.453 3.790 ( 11.218 5.470 0.000) 12.480 4.092 ( -7.505 -1.184 0.000) 7.598 4.582 ( 3.457 1.515 0.000) 3.775 4.612 ( 0.364 0.439 0.000) 0.570 4.706 ( -1.249 2.089 0.000) 2.434 4.871 ( 8.200 -1.067 0.000) 8.269 4.876 ( -0.159 17.009 0.000) 17.009 5.188 ( -0.475 -21.803 0.000) 21.808 5.347 ( -5.441 -12.299 0.000) 13.449 6.009 ( 13.478 -6.685 0.000) 15.045 6.552 ( -4.786 -0.784 0.000) 4.849 7.378 ( -3.160 -4.652 0.000) 5.624 8.427 ( 5.873 -0.681 0.000) 5.912 9.706 ( -0.027 1.686 0.000) 1.686 10.239 ( -6.473 -1.651 0.000) 6.681 10.772 ( -0.028 0.145 0.000) 0.148 11.714 ( 1.787 -0.053 0.000) 1.788 12.433 ( -0.504 0.738 0.000) 0.894 12.535 ( 0.284 0.100 0.000) 0.301 12.685 ( 0.111 -0.852 0.000) 0.859 15.541 ( -0.499 0.812 0.000) 0.953 17.328 ( 0.209 -0.832 0.000) 0.858 17.887 ( -4.365 12.051 0.000) 12.817 18.467 ( -0.406 1.792 0.000) 1.838 20.358 ( -0.311 -1.254 0.000) 1.292 24.101 ( -7.879 -9.410 0.000) 12.273 24.859 ( 15.886 -1.728 0.000) 15.980 ======================= Grid point 16 (12/125) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( -9.219 22.097 0.000) 23.943 1.429 ( -1.749 24.383 0.000) 24.445 2.384 ( 2.322 23.449 0.000) 23.564 2.568 ( -4.347 38.239 0.000) 38.486 2.640 ( -2.071 -12.053 0.000) 12.230 2.784 ( -3.065 4.384 0.000) 5.349 3.379 ( -5.221 -19.412 0.000) 20.102 3.556 ( 6.164 -4.481 0.000) 7.620 3.698 ( -5.415 -0.476 0.000) 5.436 3.911 ( 6.171 -3.889 0.000) 7.294 4.117 ( 0.665 -7.020 0.000) 7.051 4.536 ( 3.007 7.490 0.000) 8.071 4.602 ( 0.538 1.423 0.000) 1.521 4.647 ( -0.309 11.523 0.000) 11.527 4.656 ( -2.617 2.694 0.000) 3.756 5.017 ( 11.421 -3.358 0.000) 11.905 5.368 ( -15.614 -6.655 0.000) 16.973 5.548 ( -0.257 -22.894 0.000) 22.896 6.301 ( 14.570 -6.743 0.000) 16.054 6.524 ( -6.396 -4.605 0.000) 7.881 7.456 ( -1.278 -7.986 0.000) 8.087 8.492 ( 5.458 1.171 0.000) 5.582 9.658 ( -0.068 4.092 0.000) 4.092 10.168 ( -4.767 2.244 0.000) 5.268 10.769 ( -0.037 0.185 0.000) 0.189 11.752 ( 1.033 -2.479 0.000) 2.686 12.415 ( -0.413 0.711 0.000) 0.822 12.535 ( 0.118 0.193 0.000) 0.226 12.704 ( 0.186 -1.238 0.000) 1.252 15.522 ( -0.514 0.759 0.000) 0.917 17.346 ( 0.288 -0.917 0.000) 0.961 17.613 ( -9.194 12.397 0.000) 15.435 18.440 ( -0.670 0.784 0.000) 1.031 20.376 ( 0.168 -0.982 0.000) 0.996 24.159 ( -3.176 -5.493 0.000) 6.345 25.073 ( 15.958 -2.698 0.000) 16.185 ======================= Grid point 17 (13/125) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( 0.000 26.492 0.000) 26.492 1.003 ( 0.000 27.621 0.000) 27.621 1.745 ( 0.000 52.493 0.000) 52.493 1.961 ( 0.000 28.310 0.000) 28.310 2.809 ( -0.000 -2.021 0.000) 2.021 2.824 ( -0.000 -11.233 0.000) 11.233 3.530 ( 0.000 7.266 0.000) 7.266 3.632 ( -0.000 -15.335 0.000) 15.335 3.807 ( -0.000 -12.292 0.000) 12.292 4.037 ( -0.000 -8.536 0.000) 8.536 4.264 ( -0.000 -7.017 0.000) 7.017 4.444 ( 0.000 5.994 0.000) 5.994 4.478 ( 0.000 9.550 0.000) 9.550 4.552 ( 0.000 6.971 0.000) 6.971 4.588 ( 0.000 1.109 0.000) 1.109 5.205 ( -0.000 -4.979 0.000) 4.979 5.281 ( -0.000 -2.230 0.000) 2.230 5.885 ( -0.000 -18.880 0.000) 18.880 6.406 ( 0.000 1.698 0.000) 1.698 6.643 ( -0.000 -11.913 0.000) 11.913 7.588 ( -0.000 -8.638 0.000) 8.638 8.488 ( 0.000 3.576 0.000) 3.576 9.584 ( 0.000 4.861 0.000) 4.861 10.084 ( 0.000 4.311 0.000) 4.311 10.766 ( 0.000 0.159 0.000) 0.159 11.806 ( -0.000 -3.287 0.000) 3.287 12.403 ( 0.000 0.518 0.000) 0.518 12.533 ( 0.000 0.195 0.000) 0.195 12.725 ( -0.000 -1.158 0.000) 1.158 15.508 ( 0.000 0.514 0.000) 0.514 17.339 ( 0.000 11.690 0.000) 11.690 17.361 ( -0.000 -0.737 0.000) 0.737 18.429 ( 0.000 0.099 0.000) 0.099 20.390 ( -0.000 -0.641 0.000) 0.641 24.205 ( -0.000 -2.488 0.000) 2.488 25.252 ( -0.000 -4.578 0.000) 4.578 ======================= Grid point 20 (14/125) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( 10.042 0.000 0.000) 10.042 1.209 ( 28.673 0.000 0.000) 28.673 1.329 ( -0.112 -0.000 0.000) 0.112 2.437 ( -15.507 -0.000 0.000) 15.507 2.475 ( 52.434 0.000 0.000) 52.434 2.980 ( -3.321 -0.000 0.000) 3.321 3.355 ( -0.770 -0.000 0.000) 0.770 3.945 ( -4.766 -0.000 0.000) 4.766 3.973 ( -14.400 -0.000 0.000) 14.400 4.172 ( 0.763 0.000 0.000) 0.763 4.270 ( 3.233 0.000 0.000) 3.233 4.279 ( 5.553 0.000 0.000) 5.553 4.463 ( -2.959 -0.000 0.000) 2.959 4.511 ( -2.051 -0.000 0.000) 2.051 4.515 ( 5.890 0.000 0.000) 5.890 4.858 ( -9.732 -0.000 0.000) 9.732 5.264 ( -7.583 -0.000 0.000) 7.583 6.227 ( 0.517 0.000 0.000) 0.517 6.446 ( 0.943 0.000 0.000) 0.943 6.817 ( -11.593 -0.000 0.000) 11.593 7.615 ( -6.163 -0.000 0.000) 6.163 8.472 ( 2.434 0.000 0.000) 2.434 9.500 ( 0.493 0.000 0.000) 0.493 9.805 ( -5.798 -0.000 0.000) 5.798 10.768 ( 0.205 0.000 0.000) 0.205 11.922 ( 2.001 0.000 0.000) 2.001 12.436 ( 1.559 0.000 0.000) 1.559 12.529 ( -0.002 -0.000 0.000) 0.002 12.716 ( -1.127 -0.000 0.000) 1.127 15.551 ( 1.739 0.000 0.000) 1.739 17.332 ( -1.551 -0.000 0.000) 1.551 18.534 ( 4.779 0.000 0.000) 4.779 19.481 ( -7.589 -0.000 0.000) 7.589 20.096 ( 0.170 0.000 0.000) 0.170 22.725 ( -0.449 -0.000 0.000) 0.449 24.385 ( 5.667 0.000 0.000) 5.667 ======================= Grid point 21 (15/125) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( 6.890 -23.999 0.000) 24.968 1.458 ( 0.753 -14.228 0.000) 14.248 1.636 ( 27.212 -12.387 0.000) 29.899 2.289 ( -15.917 -3.249 0.000) 16.245 2.937 ( -2.791 0.559 0.000) 2.847 3.094 ( 44.369 -7.807 0.000) 45.050 3.297 ( -2.661 5.411 0.000) 6.030 3.531 ( -15.079 18.970 0.000) 24.233 4.062 ( -9.179 -9.670 0.000) 13.333 4.149 ( 3.943 4.222 0.000) 5.777 4.311 ( 1.030 -0.406 0.000) 1.107 4.341 ( -0.029 -4.785 0.000) 4.785 4.383 ( -2.253 4.161 0.000) 4.732 4.515 ( -1.135 -2.827 0.000) 3.046 4.603 ( 7.502 -0.831 0.000) 7.548 4.796 ( -2.578 -0.978 0.000) 2.757 5.252 ( -9.326 -6.922 0.000) 11.614 6.146 ( 0.462 10.689 0.000) 10.699 6.320 ( -2.823 14.540 0.000) 14.811 6.678 ( -9.099 0.063 0.000) 9.099 7.520 ( -6.519 2.416 0.000) 6.952 8.452 ( 2.465 4.819 0.000) 5.413 9.532 ( 0.446 -3.162 0.000) 3.193 9.826 ( -5.933 -9.299 0.000) 11.031 10.771 ( 0.201 -0.043 0.000) 0.206 11.917 ( 1.669 3.014 0.000) 3.446 12.453 ( 1.439 0.062 0.000) 1.440 12.529 ( 0.020 -0.020 0.000) 0.028 12.700 ( -1.088 0.378 0.000) 1.152 15.568 ( 1.488 0.151 0.000) 1.495 17.315 ( -1.442 -0.034 0.000) 1.442 18.576 ( 5.612 2.270 0.000) 6.054 19.064 ( 3.522 31.137 0.000) 31.336 20.203 ( -3.237 -7.792 0.000) 8.438 23.002 ( -10.054 -30.648 0.000) 32.255 24.460 ( 6.133 -1.472 0.000) 6.307 ======================= Grid point 22 (16/125) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 8.334 -21.062 0.000) 22.651 1.766 ( -2.689 -24.951 0.000) 25.096 2.116 ( 13.243 -8.579 0.000) 15.779 2.210 ( -1.984 -8.724 0.000) 8.947 2.901 ( 0.170 2.979 0.000) 2.983 3.060 ( -15.701 15.160 0.000) 21.826 3.148 ( -5.993 5.343 0.000) 8.029 3.622 ( 20.907 -5.186 0.000) 21.540 4.055 ( -2.813 -2.087 0.000) 3.502 4.111 ( 4.535 6.976 0.000) 8.321 4.278 ( -1.242 5.124 0.000) 5.272 4.384 ( 1.132 -6.069 0.000) 6.174 4.439 ( -1.073 -8.781 0.000) 8.846 4.563 ( -0.244 -3.551 0.000) 3.559 4.714 ( 9.151 -0.403 0.000) 9.160 4.819 ( 1.062 -3.597 0.000) 3.750 5.211 ( -11.480 -0.947 0.000) 11.519 5.910 ( 0.316 18.919 0.000) 18.922 6.031 ( -1.487 14.750 0.000) 14.825 6.602 ( -6.782 -0.448 0.000) 6.797 7.412 ( -5.821 2.321 0.000) 6.267 8.403 ( 2.371 4.042 0.000) 4.686 9.601 ( 0.311 -4.483 0.000) 4.494 9.932 ( -6.231 -11.610 0.000) 13.176 10.774 ( 0.150 -0.033 0.000) 0.154 11.870 ( 1.515 4.909 0.000) 5.138 12.462 ( 0.843 0.413 0.000) 0.939 12.531 ( 0.193 -0.092 0.000) 0.213 12.683 ( -0.808 0.403 0.000) 0.903 15.576 ( 0.905 0.544 0.000) 1.056 17.304 ( -1.015 -0.304 0.000) 1.059 18.561 ( 5.761 9.358 0.000) 10.990 18.715 ( 5.660 18.193 0.000) 19.053 20.260 ( -2.781 -4.247 0.000) 5.077 23.341 ( -13.661 -27.855 0.000) 31.025 24.570 ( 6.742 -3.501 0.000) 7.597 ======================= Grid point 23 (17/125) ======================= q-point: ( 0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( 7.713 -14.144 0.000) 16.110 2.057 ( -12.377 0.774 0.000) 12.401 2.111 ( -4.583 -18.950 0.000) 19.496 2.589 ( 24.621 -3.532 0.000) 24.873 2.763 ( -10.864 0.421 0.000) 10.872 2.810 ( 1.096 7.726 0.000) 7.803 3.083 ( -5.290 -5.934 0.000) 7.949 3.626 ( -13.155 1.448 0.000) 13.235 4.029 ( 3.018 8.337 0.000) 8.867 4.108 ( -1.305 1.710 0.000) 2.151 4.251 ( 10.937 5.168 0.000) 12.097 4.486 ( -0.436 -5.256 0.000) 5.274 4.575 ( 0.775 -5.223 0.000) 5.280 4.636 ( -1.190 -9.834 0.000) 9.906 4.764 ( 4.105 2.502 0.000) 4.807 4.946 ( 3.422 -3.645 0.000) 4.999 5.063 ( -3.491 2.175 0.000) 4.114 5.572 ( 0.088 23.213 0.000) 23.214 5.901 ( 4.386 2.902 0.000) 5.259 6.535 ( -7.056 -0.763 0.000) 7.097 7.327 ( -4.524 0.975 0.000) 4.628 8.393 ( 2.709 0.365 0.000) 2.734 9.670 ( 0.158 -3.598 0.000) 3.601 10.039 ( -5.956 -9.914 0.000) 11.565 10.775 ( 0.072 0.032 0.000) 0.079 11.805 ( 1.474 4.868 0.000) 5.086 12.458 ( 0.149 0.804 0.000) 0.818 12.536 ( 0.328 -0.091 0.000) 0.340 12.672 ( -0.406 0.044 0.000) 0.408 15.571 ( 0.278 0.955 0.000) 0.995 17.303 ( -0.471 -0.683 0.000) 0.829 18.383 ( 4.713 17.622 0.000) 18.241 18.592 ( 2.312 6.488 0.000) 6.887 20.292 ( -1.724 -3.060 0.000) 3.512 23.600 ( -10.483 -22.039 0.000) 24.405 24.719 ( 7.007 -5.528 0.000) 8.925 ======================= Grid point 24 (18/125) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( -7.574 9.197 0.000) 11.914 2.033 ( 5.140 4.535 0.000) 6.855 2.203 ( -4.544 -8.565 0.000) 9.696 2.738 ( 5.831 -3.416 0.000) 6.758 2.772 ( 0.319 -0.105 0.000) 0.336 2.835 ( 3.758 -2.617 0.000) 4.580 3.190 ( -1.734 -11.758 0.000) 11.885 3.487 ( -11.998 -1.327 0.000) 12.072 3.917 ( 1.390 8.629 0.000) 8.740 4.022 ( -4.506 3.720 0.000) 5.843 4.106 ( 4.494 19.405 0.000) 19.919 4.578 ( 1.031 -5.515 0.000) 5.611 4.613 ( 0.276 -0.672 0.000) 0.726 4.751 ( 1.856 3.780 0.000) 4.211 4.859 ( -0.351 -17.525 0.000) 17.529 4.960 ( 6.692 0.801 0.000) 6.740 5.137 ( -4.747 -7.563 0.000) 8.929 5.201 ( -0.090 22.367 0.000) 22.367 6.015 ( 8.545 -6.701 0.000) 10.859 6.477 ( -6.011 -1.179 0.000) 6.125 7.291 ( -2.560 -1.765 0.000) 3.109 8.447 ( 2.830 -2.720 0.000) 3.926 9.710 ( 0.041 -1.172 0.000) 1.173 10.110 ( -4.290 -6.043 0.000) 7.411 10.774 ( 0.012 0.119 0.000) 0.120 11.756 ( 1.099 2.921 0.000) 3.121 12.443 ( -0.142 0.981 0.000) 0.991 12.540 ( 0.209 0.036 0.000) 0.212 12.674 ( -0.084 -0.530 0.000) 0.536 15.554 ( -0.087 1.178 0.000) 1.182 17.314 ( -0.070 -0.989 0.000) 0.991 18.129 ( 0.975 18.364 0.000) 18.389 18.518 ( 0.426 4.586 0.000) 4.606 20.322 ( -0.639 -2.445 0.000) 2.527 23.821 ( -4.994 -16.493 0.000) 17.232 24.893 ( 5.698 -7.170 0.000) 9.158 ======================= Grid point 25 (19/125) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( 0.000 17.162 0.000) 17.162 1.791 ( 0.000 21.466 0.000) 21.466 2.404 ( -0.000 -14.534 0.000) 14.534 2.695 ( 0.000 11.788 0.000) 11.788 2.763 ( 0.000 2.499 0.000) 2.499 3.027 ( -0.000 -19.283 0.000) 19.283 3.192 ( 0.000 31.887 0.000) 31.887 3.392 ( -0.000 -13.706 0.000) 13.706 3.787 ( 0.000 8.607 0.000) 8.607 3.942 ( 0.000 2.194 0.000) 2.194 4.000 ( -0.000 -3.776 0.000) 3.776 4.616 ( 0.000 0.350 0.000) 0.350 4.647 ( -0.000 -1.611 0.000) 1.611 4.675 ( 0.000 6.427 0.000) 6.427 4.874 ( 0.000 17.125 0.000) 17.125 5.051 ( -0.000 -3.477 0.000) 3.477 5.175 ( -0.000 -4.701 0.000) 4.701 5.182 ( -0.000 -21.903 0.000) 21.903 6.232 ( -0.000 -12.037 0.000) 12.037 6.446 ( 0.000 0.232 0.000) 0.232 7.335 ( -0.000 -5.587 0.000) 5.587 8.512 ( -0.000 -2.322 0.000) 2.322 9.706 ( 0.000 1.761 0.000) 1.761 10.144 ( -0.000 -1.637 0.000) 1.637 10.772 ( 0.000 0.180 0.000) 0.180 11.739 ( 0.000 0.089 0.000) 0.089 12.426 ( 0.000 0.926 0.000) 0.926 12.539 ( 0.000 0.162 0.000) 0.162 12.686 ( -0.000 -1.039 0.000) 1.039 15.535 ( 0.000 1.104 0.000) 1.104 17.331 ( -0.000 -1.080 0.000) 1.080 17.833 ( 0.000 18.314 0.000) 18.314 18.463 ( 0.000 2.524 0.000) 2.524 20.353 ( -0.000 -1.788 0.000) 1.788 24.012 ( -0.000 -10.792 0.000) 10.792 25.051 ( -0.000 -7.656 0.000) 7.656 ======================= Grid point 30 (20/125) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 0.155 0.000 0.000) 0.155 1.407 ( 6.604 0.000 0.000) 6.604 1.841 ( 27.922 0.000 0.000) 27.922 2.088 ( -14.823 -0.000 0.000) 14.823 2.889 ( -4.602 -0.000 0.000) 4.602 3.339 ( -0.600 -0.000 0.000) 0.600 3.517 ( 23.680 0.000 0.000) 23.680 3.598 ( -0.901 -0.000 0.000) 0.901 3.777 ( -10.970 -0.000 0.000) 10.970 4.190 ( 0.855 0.000 0.000) 0.855 4.288 ( -3.236 -0.000 0.000) 3.236 4.341 ( 2.890 0.000 0.000) 2.890 4.364 ( -3.298 -0.000 0.000) 3.298 4.468 ( -1.761 -0.000 0.000) 1.761 4.712 ( 10.257 0.000 0.000) 10.257 4.772 ( -0.139 -0.000 0.000) 0.139 5.147 ( -2.823 -0.000 0.000) 2.823 6.237 ( 0.361 0.000 0.000) 0.361 6.440 ( -1.344 -0.000 0.000) 1.344 6.490 ( -17.729 -0.000 0.000) 17.729 7.466 ( -6.638 -0.000 0.000) 6.638 8.520 ( 1.799 0.000 0.000) 1.799 9.511 ( 0.412 0.000 0.000) 0.412 9.697 ( -3.711 -0.000 0.000) 3.711 10.773 ( 0.194 0.000 0.000) 0.194 11.956 ( 1.031 0.000 0.000) 1.031 12.470 ( 1.373 0.000 0.000) 1.373 12.529 ( -0.004 -0.000 0.000) 0.004 12.691 ( -1.045 -0.000 0.000) 1.045 15.586 ( 1.293 0.000 0.000) 1.293 17.299 ( -1.338 -0.000 0.000) 1.338 18.667 ( 7.258 0.000 0.000) 7.258 19.288 ( -9.664 -0.000 0.000) 9.664 20.102 ( 0.370 0.000 0.000) 0.370 22.715 ( -0.375 -0.000 0.000) 0.375 24.507 ( 4.989 0.000 0.000) 4.989 ======================= Grid point 31 (21/125) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( -0.181 -29.887 0.000) 29.887 1.543 ( 5.409 -7.608 0.000) 9.335 1.965 ( -11.658 -3.078 0.000) 12.058 2.233 ( 25.180 -11.085 0.000) 27.512 2.860 ( -3.601 -2.330 0.000) 4.289 3.167 ( -14.254 17.579 0.000) 22.632 3.255 ( -1.108 8.996 0.000) 9.064 3.726 ( -11.641 -1.407 0.000) 11.725 3.967 ( 19.003 -5.975 0.000) 19.920 4.228 ( 3.029 -0.487 0.000) 3.068 4.265 ( -3.982 -0.952 0.000) 4.095 4.331 ( -0.934 0.094 0.000) 0.939 4.389 ( 9.256 -2.232 0.000) 9.521 4.500 ( -0.251 -4.088 0.000) 4.096 4.780 ( 0.322 -1.553 0.000) 1.586 4.819 ( 8.374 -0.019 0.000) 8.374 5.127 ( -2.569 -0.033 0.000) 2.569 6.154 ( 0.231 10.710 0.000) 10.712 6.183 ( -9.990 10.170 0.000) 14.256 6.473 ( -7.393 -3.724 0.000) 8.278 7.385 ( -4.999 1.710 0.000) 5.283 8.498 ( 1.514 4.310 0.000) 4.569 9.541 ( 0.281 -3.089 0.000) 3.101 9.724 ( -3.099 -7.196 0.000) 7.835 10.775 ( 0.139 -0.013 0.000) 0.140 11.943 ( 0.673 2.690 0.000) 2.773 12.479 ( 0.866 0.448 0.000) 0.975 12.531 ( 0.091 -0.175 0.000) 0.197 12.679 ( -0.753 0.215 0.000) 0.783 15.594 ( 0.810 0.424 0.000) 0.914 17.288 ( -0.922 -0.258 0.000) 0.958 18.720 ( 7.344 4.019 0.000) 8.372 19.035 ( -4.895 15.903 0.000) 16.640 20.155 ( -1.227 -4.961 0.000) 5.111 22.865 ( -3.397 -17.948 0.000) 18.267 24.577 ( 4.029 -2.630 0.000) 4.812 ======================= Grid point 32 (22/125) ======================= q-point: ( 0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 2.189 -31.155 0.000) 31.232 1.745 ( 0.527 -13.389 0.000) 13.400 1.918 ( -6.954 -3.507 0.000) 7.788 2.704 ( 18.877 -11.112 0.000) 21.905 2.802 ( -3.641 8.993 0.000) 9.702 2.885 ( -1.118 -3.347 0.000) 3.529 3.062 ( -1.680 11.519 0.000) 11.641 3.504 ( -17.440 7.829 0.000) 19.116 4.120 ( 0.300 0.576 0.000) 0.650 4.184 ( 1.814 7.651 0.000) 7.864 4.296 ( 1.617 -7.416 0.000) 7.590 4.420 ( -0.469 -10.412 0.000) 10.423 4.527 ( 9.402 3.736 0.000) 10.117 4.558 ( -0.124 -3.175 0.000) 3.177 4.837 ( 3.287 -2.814 0.000) 4.327 4.895 ( 2.563 -1.720 0.000) 3.087 5.078 ( -1.959 2.578 0.000) 3.238 5.915 ( 0.087 19.005 0.000) 19.005 5.997 ( -0.891 4.446 0.000) 4.534 6.431 ( -6.405 -1.295 0.000) 6.535 7.312 ( -2.573 1.986 0.000) 3.251 8.444 ( 1.085 3.453 0.000) 3.620 9.605 ( 0.123 -4.397 0.000) 4.398 9.833 ( -2.413 -9.670 0.000) 9.967 10.776 ( 0.061 0.012 0.000) 0.062 11.891 ( 0.471 4.358 0.000) 4.383 12.474 ( 0.239 0.906 0.000) 0.937 12.536 ( 0.167 -0.253 0.000) 0.303 12.670 ( -0.333 0.164 0.000) 0.371 15.589 ( 0.289 0.912 0.000) 0.957 17.287 ( -0.392 -0.617 0.000) 0.731 18.672 ( 4.020 11.842 0.000) 12.506 18.762 ( -0.629 12.546 0.000) 12.562 20.215 ( -1.119 -4.286 0.000) 4.429 23.153 ( -3.969 -22.628 0.000) 22.973 24.680 ( 2.713 -5.435 0.000) 6.075 ======================= Grid point 33 (23/125) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( 0.000 1.518 0.000) 1.518 1.944 ( -0.000 -13.500 0.000) 13.500 2.025 ( -0.000 -17.987 0.000) 17.987 2.636 ( -0.000 -0.206 0.000) 0.206 2.820 ( 0.000 8.222 0.000) 8.222 3.022 ( -0.000 -7.454 0.000) 7.454 3.130 ( 0.000 16.760 0.000) 16.760 3.190 ( -0.000 -18.408 0.000) 18.408 4.063 ( 0.000 8.507 0.000) 8.507 4.068 ( 0.000 4.163 0.000) 4.163 4.425 ( 0.000 14.485 0.000) 14.485 4.457 ( -0.000 -9.439 0.000) 9.439 4.596 ( -0.000 -1.777 0.000) 1.777 4.610 ( -0.000 -13.551 0.000) 13.551 4.838 ( 0.000 4.889 0.000) 4.889 4.981 ( -0.000 -7.184 0.000) 7.184 5.031 ( 0.000 1.892 0.000) 1.892 5.572 ( 0.000 23.328 0.000) 23.328 5.993 ( -0.000 -2.032 0.000) 2.032 6.410 ( -0.000 -1.667 0.000) 1.667 7.272 ( 0.000 0.990 0.000) 0.990 8.428 ( -0.000 -0.684 0.000) 0.684 9.672 ( -0.000 -3.541 0.000) 3.541 9.967 ( -0.000 -8.763 0.000) 8.763 10.776 ( 0.000 0.066 0.000) 0.066 11.822 ( 0.000 4.431 0.000) 4.431 12.459 ( 0.000 1.067 0.000) 1.067 12.540 ( -0.000 -0.118 0.000) 0.118 12.668 ( -0.000 -0.128 0.000) 0.128 15.573 ( 0.000 1.213 0.000) 1.213 17.298 ( -0.000 -0.906 0.000) 0.906 18.434 ( 0.000 18.164 0.000) 18.164 18.619 ( 0.000 7.489 0.000) 7.489 20.271 ( -0.000 -3.481 0.000) 3.481 23.485 ( -0.000 -21.549 0.000) 21.549 24.800 ( -0.000 -7.421 0.000) 7.421 ======================= Grid point 40 (24/125) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( -1.337 -0.000 0.000) 1.337 1.543 ( 4.036 0.000 0.000) 4.036 1.838 ( -6.433 -0.000 0.000) 6.433 2.375 ( 17.027 0.000 0.000) 17.027 2.803 ( -2.491 -0.000 0.000) 2.491 3.222 ( -9.370 -0.000 0.000) 9.370 3.330 ( -0.219 -0.000 0.000) 0.219 3.494 ( -11.429 -0.000 0.000) 11.429 4.116 ( 5.499 0.000 0.000) 5.499 4.205 ( 0.383 0.000 0.000) 0.383 4.223 ( -1.752 -0.000 0.000) 1.752 4.387 ( 1.157 0.000 0.000) 1.157 4.440 ( -0.689 -0.000 0.000) 0.689 4.524 ( 18.984 0.000 0.000) 18.984 4.763 ( -2.567 -0.000 0.000) 2.567 4.885 ( 4.413 0.000 0.000) 4.413 5.121 ( -0.152 -0.000 0.000) 0.152 6.101 ( -13.830 -0.000 0.000) 13.830 6.243 ( 0.117 0.000 0.000) 0.117 6.407 ( -1.128 -0.000 0.000) 1.128 7.355 ( -2.883 -0.000 0.000) 2.883 8.547 ( 0.656 0.000 0.000) 0.656 9.517 ( 0.158 0.000 0.000) 0.158 9.645 ( -1.126 -0.000 0.000) 1.126 10.776 ( 0.080 0.000 0.000) 0.080 11.969 ( 0.248 0.000 0.000) 0.248 12.492 ( 0.554 0.000 0.000) 0.554 12.529 ( -0.003 -0.000 0.000) 0.003 12.674 ( -0.437 -0.000 0.000) 0.437 15.605 ( 0.447 0.000 0.000) 0.447 17.277 ( -0.521 -0.000 0.000) 0.521 18.850 ( 9.244 0.000 0.000) 9.244 19.067 ( -10.178 -0.000 0.000) 10.178 20.109 ( 0.204 0.000 0.000) 0.204 22.709 ( -0.143 -0.000 0.000) 0.143 24.587 ( 1.972 0.000 0.000) 1.972 ======================= Grid point 41 (25/125) ======================= q-point: (-0.44 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( -0.000 -31.608 0.000) 31.608 1.615 ( -0.000 -5.989 0.000) 5.989 1.825 ( -0.000 -2.776 0.000) 2.776 2.592 ( -0.000 -13.678 0.000) 13.678 2.813 ( -0.000 -3.021 0.000) 3.021 2.987 ( 0.000 16.457 0.000) 16.457 3.244 ( 0.000 9.830 0.000) 9.830 3.487 ( -0.000 -0.810 0.000) 0.810 4.126 ( 0.000 0.195 0.000) 0.195 4.224 ( -0.000 -1.695 0.000) 1.695 4.270 ( -0.000 -7.299 0.000) 7.299 4.311 ( 0.000 6.805 0.000) 6.805 4.499 ( -0.000 -4.311 0.000) 4.311 4.664 ( 0.000 3.685 0.000) 3.685 4.751 ( -0.000 -6.024 0.000) 6.024 4.919 ( -0.000 -0.464 0.000) 0.464 5.105 ( 0.000 1.890 0.000) 1.890 6.012 ( 0.000 0.849 0.000) 0.849 6.156 ( 0.000 10.726 0.000) 10.726 6.394 ( 0.000 0.513 0.000) 0.513 7.326 ( 0.000 1.424 0.000) 1.424 8.515 ( 0.000 4.002 0.000) 4.002 9.544 ( -0.000 -3.063 0.000) 3.063 9.691 ( -0.000 -6.222 0.000) 6.222 10.777 ( -0.000 -0.000 0.000) 0.000 11.950 ( 0.000 2.548 0.000) 2.548 12.489 ( 0.000 0.686 0.000) 0.686 12.532 ( -0.000 -0.314 0.000) 0.314 12.670 ( 0.000 0.144 0.000) 0.144 15.603 ( 0.000 0.535 0.000) 0.535 17.277 ( -0.000 -0.347 0.000) 0.347 18.885 ( 0.000 8.311 0.000) 8.311 18.894 ( 0.000 7.442 0.000) 7.442 20.143 ( -0.000 -3.628 0.000) 3.628 22.830 ( -0.000 -14.504 0.000) 14.504 24.623 ( -0.000 -3.112 0.000) 3.112 ======================= Grid point 83 (26/125) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.326 ( 0.000 0.000 15.749) 15.749 0.701 ( 0.000 0.000 33.884) 33.884 1.399 ( 0.000 0.000 60.227) 60.227 2.330 ( 0.000 0.000 17.535) 17.535 2.615 ( 0.000 0.000 -18.073) 18.073 2.991 ( 0.000 0.000 -4.733) 4.733 3.439 ( 0.000 0.000 3.372) 3.372 3.965 ( 0.000 0.000 3.161) 3.161 4.095 ( 0.000 0.000 -5.594) 5.594 4.121 ( 0.000 0.000 -3.152) 3.152 4.236 ( 0.000 0.000 1.247) 1.247 4.262 ( 0.000 0.000 1.211) 1.211 4.417 ( 0.000 0.000 7.117) 7.117 4.543 ( 0.000 0.000 22.989) 22.989 4.803 ( 0.000 0.000 20.380) 20.380 5.306 ( 0.000 0.000 1.176) 1.176 5.328 ( 0.000 0.000 1.464) 1.464 5.532 ( 0.000 0.000 0.133) 0.133 6.210 ( 0.000 0.000 -0.214) 0.214 6.418 ( 0.000 0.000 4.211) 4.211 7.768 ( 0.000 0.000 1.530) 1.530 8.045 ( 0.000 0.000 -26.787) 26.787 9.840 ( 0.000 0.000 -13.374) 13.374 9.850 ( 0.000 0.000 28.060) 28.060 11.669 ( 0.000 0.000 -17.548) 17.548 12.579 ( 0.000 0.000 17.100) 17.100 12.599 ( 0.000 0.000 6.830) 6.830 12.717 ( 0.000 0.000 -3.062) 3.062 15.408 ( 0.000 0.000 -8.958) 8.958 17.021 ( 0.000 0.000 -12.025) 12.025 17.412 ( 0.000 0.000 3.726) 3.726 18.403 ( 0.000 0.000 -2.714) 2.714 19.300 ( 0.000 0.000 2.643) 2.643 20.069 ( 0.000 0.000 -2.573) 2.573 22.779 ( 0.000 0.000 4.123) 4.123 24.190 ( 0.000 0.000 -4.362) 4.362 ======================= Grid point 84 (27/125) ======================= q-point: ( 0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( 16.375 -8.247 13.588) 22.820 0.945 ( 26.722 -18.814 13.358) 35.305 1.681 ( 2.392 -26.377 50.211) 56.768 2.132 ( -9.876 2.786 27.276) 29.142 2.559 ( -0.291 5.385 -17.928) 18.722 3.029 ( 1.095 -3.175 -0.481) 3.393 3.450 ( -1.262 -2.015 2.246) 3.271 3.862 ( -0.563 11.025 1.237) 11.109 4.001 ( 2.575 8.321 -1.158) 8.787 4.139 ( -3.378 1.924 -2.438) 4.589 4.231 ( 2.689 4.231 -0.833) 5.082 4.321 ( -4.178 -8.121 1.012) 9.189 4.506 ( 0.935 -6.213 9.958) 11.775 4.585 ( 5.008 -2.608 15.080) 16.102 4.799 ( -0.548 0.372 19.914) 19.925 5.154 ( -9.880 4.549 1.596) 10.994 5.486 ( 18.962 2.352 -3.565) 19.437 5.719 ( -4.557 -17.420 -16.717) 24.570 6.153 ( 0.786 5.743 -0.941) 5.872 6.439 ( 2.431 -1.293 3.478) 4.436 7.719 ( -1.039 4.895 2.060) 5.411 8.009 ( 0.588 4.318 -24.142) 24.532 9.846 ( 0.758 0.666 25.486) 25.506 9.860 ( -2.018 -3.842 -12.533) 13.263 11.653 ( 0.648 2.500 -17.415) 17.606 12.580 ( 0.440 0.136 14.507) 14.514 12.600 ( -0.830 -0.552 9.580) 9.632 12.708 ( 0.296 1.251 -2.355) 2.683 15.298 (-106.122 99.888 146.832) 206.879 15.419 ( -4.811 4.979 -0.358) 6.933 17.396 ( 1.118 2.061 2.591) 3.495 17.745 ( 64.572 65.212 9.673) 92.280 18.409 ( 1.326 0.215 -2.712) 3.026 20.308 ( -2.397 -4.580 -6.707) 8.468 23.907 ( -27.533 -71.464 -41.980) 87.335 24.196 ( 1.082 -0.025 -4.406) 4.537 ======================= Grid point 85 (28/125) ======================= q-point: ( 0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( 11.077 -19.897 0.960) 22.793 1.549 ( 20.849 -17.812 18.455) 33.053 1.999 ( 3.594 -14.469 14.190) 20.582 2.301 ( -2.100 -12.126 3.297) 12.740 2.553 ( 7.084 -13.659 2.606) 15.606 3.078 ( -0.679 -0.896 9.897) 9.961 3.445 ( -3.049 0.396 0.663) 3.145 3.677 ( -2.034 8.114 0.050) 8.365 3.893 ( 1.924 8.429 2.907) 9.121 4.008 ( 2.583 12.303 0.160) 12.572 4.172 ( 1.138 4.515 -0.129) 4.658 4.419 ( -3.322 -8.939 3.079) 10.021 4.592 ( -1.146 -6.174 9.738) 11.587 4.680 ( 3.127 -1.858 7.517) 8.351 4.779 ( -2.388 -0.071 17.435) 17.598 4.984 ( -8.630 3.360 2.681) 9.642 5.595 ( 12.926 9.347 -7.883) 17.793 5.739 ( -7.918 1.484 -8.873) 11.985 6.092 ( -4.550 2.490 -3.991) 6.545 6.516 ( 4.421 -2.532 -1.162) 5.225 7.615 ( -0.721 6.060 3.268) 6.923 7.952 ( 1.412 3.363 -22.312) 22.608 9.855 ( 1.257 -0.531 21.574) 21.617 9.915 ( -2.278 -5.937 -13.753) 15.152 11.608 ( 0.986 4.105 -17.092) 17.605 12.571 ( -2.941 0.838 13.874) 14.207 12.598 ( 0.063 -0.083 15.794) 15.794 12.686 ( 0.838 2.198 1.624) 2.858 13.295 ( -38.430 47.329 144.968) 157.267 15.426 ( 0.945 -0.279 -9.176) 9.229 17.375 ( -0.465 1.119 1.911) 2.263 17.701 ( 29.955 16.440 -8.946) 35.321 18.424 ( 2.093 0.340 -2.736) 3.462 20.323 ( -1.592 -1.208 -4.956) 5.344 24.209 ( 4.404 1.649 -4.770) 6.698 24.328 ( -30.115 -30.664 -23.132) 48.809 ======================= Grid point 86 (29/125) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 10.101 -17.737 -4.341) 20.869 1.930 ( 7.680 -13.774 20.004) 25.473 2.254 ( -1.878 4.119 -11.553) 12.409 2.382 ( 6.404 -20.406 -1.562) 21.444 2.951 ( -2.876 8.804 7.199) 11.731 3.055 ( 5.790 -18.408 0.387) 19.301 3.446 ( 2.036 -5.818 11.211) 12.793 3.576 ( -6.218 -0.298 9.146) 11.064 3.792 ( 1.924 6.458 -0.345) 6.748 3.834 ( 6.742 14.739 5.680) 17.174 4.164 ( 6.330 1.409 -1.220) 6.599 4.501 ( -1.792 -4.080 2.823) 5.275 4.644 ( -3.263 -1.001 -1.245) 3.633 4.752 ( -3.835 -1.939 14.072) 14.713 4.759 ( 0.953 -7.128 7.340) 10.276 4.877 ( -3.903 0.400 5.192) 6.508 5.381 ( -5.559 15.478 -9.541) 19.014 5.717 ( 7.247 7.449 3.023) 10.823 5.917 ( -11.796 5.300 3.308) 13.348 6.582 ( 2.845 -0.649 -1.039) 3.097 7.528 ( 0.143 4.257 4.726) 6.363 7.938 ( 1.032 0.466 -22.875) 22.903 9.884 ( 0.855 -1.310 16.871) 16.944 9.989 ( -1.118 -5.215 -14.481) 15.432 11.551 ( 0.843 3.944 -16.832) 17.308 12.372 ( -12.551 11.739 94.407) 95.959 12.607 ( 1.134 0.041 10.864) 10.923 12.662 ( 0.727 1.786 14.036) 14.168 12.713 ( -4.611 5.325 23.728) 24.752 15.441 ( 0.826 -0.247 -9.482) 9.521 17.352 ( -0.823 0.761 1.625) 1.974 17.788 ( 15.085 4.978 -12.563) 20.253 18.441 ( 1.948 0.351 -2.722) 3.366 20.322 ( -0.951 -0.524 -4.349) 4.482 24.234 ( 6.452 2.660 -4.607) 8.362 24.386 ( -22.389 -15.268 -13.517) 30.284 ======================= Grid point 87 (30/125) ======================= q-point: ( 0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 5.102 -8.466 -7.712) 12.537 2.169 ( -0.875 3.495 -8.741) 9.455 2.226 ( 6.335 -13.370 7.845) 16.746 2.587 ( -5.677 6.777 13.661) 16.272 2.757 ( -0.249 -2.027 -2.605) 3.310 3.248 ( 0.142 -3.360 -0.323) 3.378 3.492 ( -5.890 -1.794 9.988) 11.733 3.681 ( 7.859 6.657 8.097) 13.101 3.724 ( 2.775 -6.888 9.609) 12.144 3.773 ( 2.691 0.688 -3.163) 4.210 4.235 ( 5.579 -0.305 -4.451) 7.144 4.491 ( -1.678 1.858 -0.757) 2.616 4.622 ( -1.490 -1.009 -2.968) 3.471 4.749 ( -1.338 -1.859 10.632) 10.876 4.785 ( -0.514 2.396 3.383) 4.177 5.005 ( -0.232 -12.690 1.657) 12.800 5.124 ( -4.864 4.487 2.285) 7.001 5.490 ( -1.758 18.548 17.705) 25.702 5.834 ( -1.817 -1.210 0.813) 2.329 6.607 ( 0.958 -0.055 -0.019) 0.959 7.485 ( 0.219 1.489 5.843) 6.033 7.946 ( 0.253 -0.194 -22.460) 22.462 9.907 ( 0.274 -0.646 14.407) 14.424 10.042 ( -0.250 -2.070 -14.995) 15.139 11.511 ( 0.316 1.665 -16.763) 16.848 12.147 ( -4.160 3.972 102.228) 102.389 12.616 ( 0.626 0.097 6.671) 6.701 12.650 ( -0.391 -0.122 17.949) 17.953 12.661 ( -0.210 1.032 0.938) 1.410 15.450 ( 0.324 -0.097 -9.684) 9.690 17.337 ( -0.353 0.291 1.338) 1.414 17.853 ( 4.692 0.971 -13.811) 14.619 18.453 ( 0.802 0.158 -2.680) 2.801 20.320 ( -0.315 -0.162 -4.071) 4.086 24.262 ( 5.281 2.271 -4.704) 7.428 24.364 ( -10.648 -5.894 -9.884) 15.679 ======================= Grid point 93 (31/125) ======================= q-point: ( 0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( 17.345 0.000 25.608) 30.930 1.215 ( 38.727 0.000 15.203) 41.604 1.454 ( 14.221 0.000 40.640) 43.056 2.008 ( -17.721 -0.000 33.295) 37.717 2.560 ( -5.193 -0.000 -14.341) 15.252 3.022 ( 2.639 0.000 -0.621) 2.711 3.411 ( -2.462 -0.000 2.777) 3.711 3.974 ( -0.186 -0.000 -1.057) 1.073 4.098 ( -1.789 -0.000 -2.902) 3.409 4.156 ( 6.020 0.000 -1.225) 6.143 4.196 ( -1.624 -0.000 -0.411) 1.675 4.273 ( -4.162 -0.000 3.859) 5.675 4.478 ( 3.567 0.000 5.962) 6.948 4.607 ( 3.917 0.000 17.755) 18.182 4.780 ( -3.620 -0.000 19.330) 19.666 5.124 ( -8.685 -0.000 -0.151) 8.686 5.436 ( -7.787 -0.000 -0.575) 7.808 5.802 ( 26.137 0.000 -27.336) 37.821 6.218 ( 0.782 0.000 0.174) 0.801 6.455 ( 2.678 0.000 4.585) 5.310 7.738 ( -2.783 -0.000 1.908) 3.374 8.052 ( 0.500 0.000 -27.479) 27.484 9.787 ( -4.450 -0.000 -13.008) 13.748 9.869 ( 1.639 0.000 28.833) 28.880 11.683 ( 1.122 0.000 -18.156) 18.191 12.578 ( -2.268 -0.000 8.912) 9.196 12.591 ( 1.069 0.000 15.675) 15.712 12.723 ( 0.529 0.000 -0.507) 0.733 14.620 (-122.412 -0.000 144.914) 189.697 15.420 ( 1.068 0.000 -9.168) 9.230 17.397 ( -1.319 -0.000 3.434) 3.678 18.423 ( 1.701 0.000 -3.203) 3.627 19.343 ( -1.432 -0.000 -18.502) 18.557 20.067 ( -0.119 -0.000 -2.734) 2.737 22.777 ( -0.219 -0.000 4.219) 4.225 24.225 ( 3.344 0.000 -4.804) 5.853 ======================= Grid point 94 (32/125) ======================= q-point: ( 0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( 17.073 0.361 14.717) 22.544 1.550 ( 12.180 -12.161 35.547) 39.494 1.889 ( -6.183 -6.348 26.733) 28.164 2.049 ( 34.112 -20.557 3.892) 40.018 2.501 ( -5.049 -1.855 -10.392) 11.702 3.060 ( 2.114 -0.390 6.636) 6.976 3.394 ( -3.045 -1.547 2.536) 4.254 3.798 ( -6.692 13.472 -0.607) 15.055 4.035 ( 0.893 7.894 0.412) 7.955 4.189 ( -0.732 -2.955 -0.989) 3.201 4.229 ( 5.095 -1.647 -0.479) 5.376 4.282 ( 0.345 0.395 0.314) 0.612 4.506 ( -0.085 -2.037 11.012) 11.199 4.659 ( -1.698 -2.435 12.874) 13.212 4.737 ( -2.970 -0.492 12.861) 13.209 4.981 ( -5.371 4.748 7.049) 10.054 5.465 ( -12.316 -12.089 -4.301) 17.785 5.931 ( 12.416 12.746 -23.403) 29.400 6.193 ( 2.733 5.377 -2.440) 6.506 6.513 ( 3.285 -3.141 0.607) 4.586 7.669 ( -3.679 3.486 2.696) 5.741 8.029 ( 1.067 3.308 -25.697) 25.931 9.778 ( -4.845 -5.477 -13.246) 15.130 9.880 ( 2.099 0.952 27.602) 27.698 11.675 ( 1.172 2.625 -18.460) 18.682 12.532 ( -6.732 0.730 20.132) 21.240 12.605 ( 1.260 -0.060 13.829) 13.886 12.721 ( 0.799 1.110 2.559) 2.902 13.319 ( -58.951 23.358 137.000) 150.963 15.435 ( 1.243 -0.143 -9.396) 9.479 17.376 ( -1.636 0.487 2.860) 3.330 18.422 ( 3.669 6.322 -5.521) 9.161 18.677 ( 20.070 46.732 -9.294) 51.701 20.229 ( -3.971 -8.205 -5.924) 10.871 23.303 ( -20.185 -49.872 -7.299) 54.295 24.271 ( 5.060 -0.083 -5.264) 7.302 ======================= Grid point 95 (33/125) ======================= q-point: ( 0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( 13.615 -14.823 1.074) 20.155 1.803 ( 3.847 -10.751 20.798) 23.726 2.112 ( 4.651 -17.165 18.435) 25.614 2.340 ( -0.034 1.258 -10.161) 10.239 2.829 ( 16.708 -20.596 -4.805) 26.952 3.044 ( 0.783 4.941 8.152) 9.564 3.389 ( -3.138 1.788 7.454) 8.282 3.518 ( -6.782 2.972 10.508) 12.854 3.937 ( 2.888 6.940 -1.720) 7.711 4.147 ( 0.906 10.481 2.785) 10.882 4.259 ( 9.106 2.372 0.033) 9.410 4.372 ( -0.151 -8.302 0.759) 8.338 4.554 ( -1.950 -4.682 3.369) 6.089 4.632 ( -6.309 -2.649 9.352) 11.588 4.741 ( 0.539 -0.539 10.639) 10.666 4.888 ( -1.176 2.592 9.226) 9.655 5.430 ( -16.133 -0.161 -11.458) 19.788 5.806 ( 5.005 9.239 -5.487) 11.854 6.065 ( 0.586 13.361 2.413) 13.590 6.588 ( 1.525 -1.934 -2.515) 3.520 7.569 ( -3.682 3.381 3.917) 6.350 7.990 ( 1.868 3.161 -23.107) 23.397 9.843 ( -3.920 -7.965 -13.479) 16.140 9.894 ( 1.952 -0.190 22.420) 22.506 11.628 ( 0.532 4.381 -17.716) 18.257 12.332 ( -18.652 5.723 85.691) 87.884 12.620 ( 1.312 -0.005 10.904) 10.982 12.706 ( 0.774 2.047 8.798) 9.066 12.737 ( -9.039 6.314 40.638) 42.107 15.449 ( 1.033 -0.010 -9.688) 9.743 17.350 ( -1.466 0.454 2.090) 2.593 18.223 ( 15.328 23.550 -13.305) 31.090 18.506 ( 5.679 4.801 -3.299) 8.135 20.275 ( -2.633 -3.309 -4.965) 6.522 23.708 ( -23.144 -32.616 -7.228) 40.641 24.343 ( 7.117 -0.527 -5.990) 9.317 ======================= Grid point 96 (34/125) ======================= q-point: ( 0.44 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( 7.504 -11.574 -2.646) 14.046 2.055 ( 3.516 -15.347 2.166) 15.893 2.238 ( 0.959 2.136 -5.870) 6.320 2.479 ( 2.012 -12.589 16.082) 20.522 2.829 ( -4.709 11.706 2.694) 12.902 3.089 ( -8.824 -4.254 0.077) 9.796 3.335 ( -2.558 -6.866 4.095) 8.393 3.689 ( 9.081 -6.918 17.104) 20.564 3.870 ( 4.319 6.020 -1.841) 7.634 3.987 ( 6.637 11.402 5.064) 14.131 4.291 ( 1.522 2.887 1.184) 3.472 4.476 ( -0.404 -4.514 0.122) 4.533 4.579 ( 0.250 -0.407 -6.025) 6.044 4.692 ( -0.015 -6.876 6.211) 9.266 4.781 ( 0.938 -5.541 8.480) 10.173 4.861 ( 1.244 -0.026 7.918) 8.015 5.163 ( -11.026 9.206 -6.360) 15.709 5.755 ( -2.866 8.319 9.265) 12.777 5.824 ( 2.228 10.050 1.955) 10.478 6.606 ( -0.946 -0.339 -0.881) 1.337 7.488 ( -3.714 1.563 5.352) 6.699 7.973 ( 1.954 1.776 -22.147) 22.304 9.901 ( 0.126 -1.675 10.706) 10.837 9.949 ( -1.847 -6.199 -7.117) 9.618 11.557 ( -0.502 4.049 -15.059) 15.602 12.109 ( -9.542 1.155 96.250) 96.729 12.632 ( 1.049 0.463 7.260) 7.350 12.646 ( -1.352 1.001 13.778) 13.881 12.688 ( 0.670 1.680 8.851) 9.033 15.456 ( 0.508 0.241 -9.877) 9.893 17.333 ( -0.879 0.017 1.552) 1.783 18.069 ( 9.774 14.665 -14.406) 22.763 18.496 ( 2.814 2.934 -3.098) 5.111 20.292 ( -1.680 -2.066 -4.303) 5.060 23.890 ( -18.630 -20.712 -5.324) 28.362 24.445 ( 9.520 -0.772 -7.097) 11.899 ======================= Grid point 97 (35/125) ======================= q-point: (-0.44 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( -3.521 0.547 -10.106) 10.716 2.175 ( 0.797 0.099 -4.403) 4.476 2.328 ( -0.195 0.974 3.237) 3.386 2.520 ( 5.053 -1.934 13.496) 14.540 2.764 ( 0.363 -3.320 -1.773) 3.781 3.083 ( -10.609 -10.109 6.611) 16.076 3.441 ( -0.541 -7.950 11.221) 13.762 3.632 ( -7.698 7.649 3.770) 11.488 3.820 ( 2.136 6.277 -3.483) 7.490 3.976 ( 11.074 11.623 4.894) 16.783 4.192 ( -7.291 4.332 -2.353) 8.801 4.495 ( 1.501 -0.142 -1.763) 2.320 4.607 ( 0.162 -2.545 -4.010) 4.752 4.750 ( 0.901 -1.645 9.680) 9.860 4.831 ( 4.504 1.765 3.098) 5.744 5.040 ( -2.417 -10.170 9.673) 14.243 5.076 ( 5.823 -7.401 -2.039) 9.635 5.464 ( -0.372 15.812 19.818) 25.355 5.837 ( 2.127 -2.669 -0.812) 3.509 6.587 ( -2.872 -0.107 0.121) 2.876 7.441 ( -3.681 -0.873 6.367) 7.406 7.970 ( 1.720 1.408 -22.945) 23.052 9.917 ( 0.555 0.176 13.817) 13.830 10.012 ( -2.285 -4.072 -13.216) 14.016 11.502 ( -0.968 1.488 -12.857) 12.979 12.081 ( -1.688 -5.212 93.971) 94.130 12.616 ( -0.652 0.726 9.329) 9.380 12.648 ( 0.657 -0.316 6.787) 6.826 12.673 ( 0.656 1.056 10.187) 10.263 15.453 ( -0.089 0.482 -9.850) 9.863 17.332 ( -0.107 -0.562 1.453) 1.562 17.935 ( 2.666 11.576 -14.509) 18.751 18.472 ( 0.807 2.515 -2.889) 3.915 20.306 ( -0.880 -1.500 -3.922) 4.291 23.987 ( -12.814 -13.814 -4.352) 19.338 24.575 ( 12.135 -0.365 -9.005) 15.116 ======================= Grid point 98 (36/125) ======================= q-point: (-0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( -8.033 11.988 -8.480) 16.737 2.101 ( -4.347 15.941 15.109) 22.390 2.209 ( 1.975 -2.034 -8.433) 8.897 2.660 ( 1.304 13.570 -1.446) 13.709 2.818 ( 5.736 -12.130 3.164) 13.786 3.135 ( -6.437 -5.079 2.807) 8.666 3.382 ( -14.971 5.309 -2.588) 16.094 3.574 ( 0.075 -7.490 18.644) 20.092 3.734 ( 0.151 5.328 -3.171) 6.202 3.850 ( 7.999 10.090 6.745) 14.535 4.075 ( -6.035 0.247 -1.418) 6.204 4.545 ( 2.793 -0.708 0.389) 2.907 4.640 ( -0.315 -1.979 -0.566) 2.083 4.781 ( 1.125 -0.760 11.575) 11.655 4.874 ( 6.148 2.367 1.150) 6.688 5.042 ( 3.262 13.010 8.690) 15.981 5.205 ( 2.023 -11.949 2.213) 12.320 5.452 ( -6.375 -11.081 12.332) 17.762 5.975 ( 10.326 -6.394 -2.274) 12.357 6.549 ( -4.173 0.028 0.380) 4.190 7.441 ( -2.851 -3.901 6.256) 7.905 7.958 ( 1.035 2.225 -25.197) 25.316 9.906 ( 0.121 1.679 14.156) 14.256 10.026 ( -1.374 -0.356 -13.716) 13.789 11.494 ( -0.916 -1.750 -12.903) 13.053 12.242 ( 3.750 -14.016 97.787) 98.857 12.599 ( -0.766 0.473 10.131) 10.171 12.651 ( 0.099 0.595 14.410) 14.422 12.687 ( 1.462 -2.145 7.284) 7.733 15.440 ( -0.485 0.615 -9.620) 9.652 17.347 ( 0.542 -0.974 1.760) 2.083 17.744 ( -4.578 11.289 -13.802) 18.409 18.439 ( -0.444 1.671 -2.699) 3.205 20.321 ( -0.176 -1.047 -3.865) 4.008 24.057 ( -7.353 -9.065 -4.150) 12.387 24.717 ( 14.082 1.085 -12.817) 19.072 ======================= Grid point 99 (37/125) ======================= q-point: (-0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( -5.679 19.719 -2.672) 20.694 1.741 ( -6.561 23.150 16.481) 29.165 2.287 ( -0.748 17.065 -5.223) 17.862 2.296 ( 0.460 1.396 -12.927) 13.010 2.881 ( -2.769 24.053 15.616) 28.811 3.063 ( 0.855 -3.473 14.413) 14.850 3.337 ( -4.443 -14.269 -1.152) 14.989 3.632 ( 0.341 2.835 1.996) 3.484 3.707 ( -3.285 -7.870 6.684) 10.835 3.913 ( 6.658 -4.169 -0.209) 7.858 4.070 ( -2.433 -5.993 -3.309) 7.265 4.551 ( 2.419 3.291 4.698) 6.225 4.652 ( -1.815 -0.114 3.275) 3.746 4.754 ( 0.372 11.754 7.022) 13.697 4.795 ( 0.554 0.222 13.327) 13.340 5.063 ( 10.919 -1.101 5.597) 12.319 5.354 ( -8.188 -6.220 0.834) 10.316 5.576 ( -2.888 -15.540 2.898) 16.070 6.188 ( 9.853 -2.817 -8.629) 13.397 6.493 ( -4.534 0.953 0.631) 4.676 7.505 ( -1.091 -6.766 4.985) 8.475 7.928 ( -0.087 1.543 -25.534) 25.580 9.871 ( -0.289 2.262 16.159) 16.319 9.999 ( 0.014 2.723 -13.115) 13.395 11.533 ( -0.584 -3.890 -14.423) 14.949 12.557 ( 3.864 -10.882 38.845) 40.525 12.587 ( -0.560 -0.771 14.092) 14.124 12.640 ( -1.012 -0.164 12.038) 12.082 12.875 ( 7.073 -27.071 91.220) 95.414 15.425 ( -0.483 0.582 -9.317) 9.348 17.369 ( 0.916 -0.335 1.416) 1.719 17.483 ( -9.802 10.637 -11.662) 18.580 18.413 ( -0.640 0.765 -2.609) 2.794 20.334 ( 0.242 -0.573 -4.137) 4.183 24.114 ( -3.016 -5.250 -4.342) 7.451 24.827 ( 12.817 5.038 -21.005) 25.117 ======================= Grid point 100 (38/125) ======================= q-point: (-0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( 0.000 23.414 2.615) 23.560 1.228 ( 0.000 31.972 6.950) 32.719 1.982 ( 0.000 13.296 28.992) 31.895 2.387 ( 0.000 29.602 28.529) 41.112 2.432 ( -0.000 -8.809 -19.728) 21.605 3.069 ( 0.000 2.071 5.865) 6.220 3.488 ( -0.000 -0.267 -1.713) 1.734 3.665 ( -0.000 -11.775 2.318) 12.001 3.838 ( -0.000 -9.715 1.507) 9.831 4.055 ( -0.000 -8.895 1.273) 8.985 4.166 ( -0.000 -4.731 -6.206) 7.804 4.489 ( 0.000 7.178 3.237) 7.874 4.592 ( 0.000 5.182 5.404) 7.487 4.611 ( 0.000 5.780 14.806) 15.894 4.796 ( -0.000 -0.136 16.578) 16.579 5.199 ( -0.000 -3.505 1.492) 3.810 5.308 ( -0.000 -1.338 3.543) 3.787 5.814 ( -0.000 -11.713 -6.826) 13.557 6.190 ( 0.000 9.334 -15.730) 18.291 6.442 ( 0.000 1.251 3.329) 3.557 7.619 ( -0.000 -7.592 3.286) 8.272 7.936 ( -0.000 -3.116 -22.355) 22.572 9.841 ( 0.000 0.932 20.828) 20.848 9.941 ( 0.000 4.502 -12.992) 13.750 11.595 ( -0.000 -4.055 -16.186) 16.686 12.577 ( 0.000 0.109 13.456) 13.457 12.617 ( 0.000 0.921 10.897) 10.936 12.675 ( -0.000 -2.922 -1.334) 3.212 13.895 ( -0.000 -95.104 174.467) 198.705 15.414 ( 0.000 0.404 -9.103) 9.112 17.209 ( 0.000 11.296 -12.668) 16.973 17.401 ( -0.000 -1.219 3.874) 4.061 18.402 ( 0.000 0.134 -2.613) 2.617 20.341 ( 0.000 0.137 -4.803) 4.805 24.157 ( -0.000 -2.270 -4.770) 5.282 24.747 ( 0.000 19.447 -37.545) 42.282 ======================= Grid point 103 (39/125) ======================= q-point: ( 0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( -0.407 -0.000 42.643) 42.645 1.386 ( 24.286 0.000 15.851) 29.001 1.717 ( -7.666 -0.000 29.768) 30.739 2.380 ( -10.945 -0.000 -5.547) 12.271 2.406 ( 44.506 0.000 -5.713) 44.871 3.116 ( 7.348 0.000 10.627) 12.920 3.348 ( -2.662 -0.000 -0.244) 2.674 3.931 ( -3.682 -0.000 -1.806) 4.101 3.959 ( -13.745 -0.000 -1.513) 13.828 4.163 ( -2.505 -0.000 2.709) 3.690 4.182 ( 0.182 0.000 -4.215) 4.219 4.356 ( 9.799 0.000 2.603) 10.139 4.528 ( 1.414 0.000 2.012) 2.459 4.569 ( -8.407 -0.000 13.870) 16.219 4.731 ( 2.081 0.000 11.790) 11.972 4.967 ( -4.964 -0.000 15.183) 15.974 5.246 ( -8.134 -0.000 -1.867) 8.345 6.189 ( 7.705 0.000 -33.012) 33.899 6.242 ( 1.267 0.000 1.354) 1.854 6.503 ( 1.156 0.000 5.110) 5.239 7.643 ( -5.720 -0.000 2.864) 6.397 8.063 ( 0.455 0.000 -29.155) 29.158 9.669 ( -5.557 -0.000 -12.384) 13.574 9.916 ( 2.388 0.000 30.689) 30.782 11.710 ( 1.158 0.000 -19.408) 19.442 12.417 ( -17.425 -0.000 52.430) 55.250 12.620 ( 1.484 0.000 11.986) 12.078 12.739 ( 0.859 0.000 6.131) 6.191 12.935 ( -32.934 -0.000 90.038) 95.872 15.449 ( 1.363 0.000 -9.765) 9.860 17.358 ( -2.062 -0.000 2.600) 3.319 18.480 ( 3.563 0.000 -5.314) 6.398 19.254 ( -5.936 -0.000 -20.004) 20.866 20.066 ( 0.063 0.000 -3.091) 3.092 22.771 ( -0.299 -0.000 4.488) 4.498 24.326 ( 5.391 0.000 -5.548) 7.735 ======================= Grid point 104 (40/125) ======================= q-point: ( 0.33 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 7.491 -2.481 18.532) 20.142 1.692 ( -0.104 -5.241 21.369) 22.002 1.889 ( 13.947 -20.185 22.239) 33.113 2.267 ( -11.436 -1.814 -1.780) 11.715 2.849 ( 19.858 -4.601 -6.447) 21.380 3.191 ( 10.366 6.062 2.212) 12.210 3.391 ( 9.263 -5.365 10.729) 15.156 3.554 ( -14.390 15.203 3.453) 21.216 4.050 ( -7.563 -7.103 -2.340) 10.636 4.066 ( -0.055 2.627 -2.150) 3.395 4.264 ( -0.316 -5.096 -1.755) 5.400 4.422 ( 1.852 1.290 3.340) 4.031 4.487 ( -3.839 -1.616 11.051) 11.810 4.569 ( 5.407 -0.052 -1.327) 5.567 4.752 ( 1.688 0.663 12.774) 12.902 4.907 ( -2.027 1.505 16.101) 16.297 5.211 ( -9.199 -4.536 -3.039) 10.698 6.064 ( 1.231 14.219 -14.139) 20.090 6.235 ( 0.140 6.387 -2.386) 6.820 6.546 ( -0.767 -3.535 -0.048) 3.617 7.557 ( -6.123 1.969 3.696) 7.418 8.051 ( 0.871 2.016 -27.737) 27.824 9.667 ( -4.745 -6.571 -12.888) 15.225 9.931 ( 2.297 1.129 29.620) 29.730 11.695 ( 0.427 3.199 -18.232) 18.515 12.167 ( -20.396 1.521 91.457) 93.716 12.637 ( 1.568 0.094 9.941) 10.064 12.713 ( -6.708 2.153 29.087) 29.928 12.739 ( 0.646 1.089 9.800) 9.881 15.462 ( 1.105 0.098 -10.116) 10.176 17.335 ( -1.932 0.059 1.979) 2.767 18.502 ( 4.235 3.322 -7.783) 9.463 18.907 ( 3.132 26.846 -14.174) 30.519 20.155 ( -2.533 -7.261 -4.703) 9.014 23.012 ( -7.934 -26.990 1.355) 28.165 24.397 ( 5.862 -1.266 -5.990) 8.476 ======================= Grid point 105 (41/125) ======================= q-point: ( 0.44 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 7.477 -13.935 4.384) 16.411 1.825 ( -0.888 -13.206 7.905) 15.417 2.182 ( -9.640 -3.302 -0.744) 10.217 2.353 ( 15.794 -14.856 17.876) 28.101 2.938 ( -0.167 4.117 1.346) 4.334 3.048 ( -9.683 12.835 -0.811) 16.098 3.271 ( -1.756 1.280 7.270) 7.588 3.697 ( 10.138 -4.677 11.510) 16.035 3.993 ( 1.962 5.067 -4.984) 7.373 4.078 ( -1.655 -4.174 2.053) 4.938 4.351 ( 1.400 -0.651 1.340) 2.044 4.390 ( -0.706 -1.976 1.300) 2.468 4.546 ( -0.661 -8.115 8.621) 11.858 4.647 ( 9.379 1.491 -6.031) 11.250 4.751 ( 0.325 0.170 12.478) 12.484 4.886 ( 0.578 0.209 11.486) 11.503 5.129 ( -9.425 1.950 -4.190) 10.497 5.866 ( 1.076 10.054 -5.240) 11.389 6.062 ( -1.069 13.801 4.355) 14.511 6.564 ( -3.730 -1.793 -0.604) 4.182 7.462 ( -5.414 1.688 4.989) 7.553 8.028 ( 1.441 2.252 -24.656) 24.801 9.753 ( -3.827 -9.390 -13.439) 16.835 9.937 ( 1.777 0.738 24.993) 25.067 11.622 ( -1.136 4.987 -9.568) 10.850 11.995 ( -9.977 -1.194 83.955) 84.554 12.647 ( -0.917 0.850 11.600) 11.667 12.652 ( 0.604 0.665 9.167) 9.211 12.722 ( 0.369 1.648 12.459) 12.573 15.468 ( 0.610 0.402 -10.326) 10.352 17.318 ( -1.339 -0.288 1.450) 1.994 18.424 ( 5.274 14.146 -14.534) 20.956 18.639 ( 4.735 11.754 -5.996) 14.019 20.217 ( -2.350 -4.435 -4.395) 6.671 23.329 ( -11.673 -25.776 -0.694) 28.304 24.499 ( 6.425 -2.999 -6.783) 9.812 ======================= Grid point 106 (42/125) ======================= q-point: ( 0.56 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( -0.222 -2.417 -5.468) 5.983 2.066 ( -1.463 -11.748 -0.386) 11.845 2.205 ( -4.034 -14.044 3.703) 15.074 2.665 ( 15.692 2.030 8.229) 17.835 2.773 ( -1.847 7.261 -1.159) 7.582 2.866 ( -6.234 -2.930 6.758) 9.650 3.310 ( -1.059 -6.002 14.328) 15.571 3.625 ( -14.021 4.707 6.524) 16.165 3.920 ( -0.474 4.826 -5.894) 7.633 4.187 ( 4.195 2.465 4.148) 6.394 4.291 ( 6.129 6.844 1.871) 9.375 4.471 ( -0.423 -2.850 0.247) 2.892 4.621 ( 2.758 2.513 -7.090) 8.012 4.737 ( 1.426 -2.393 4.115) 4.969 4.787 ( -0.967 -8.853 12.249) 15.144 4.923 ( 4.270 -1.796 5.204) 6.968 5.046 ( 0.350 -2.169 2.352) 3.218 5.739 ( 0.359 14.770 11.889) 18.964 5.854 ( 1.689 4.296 -3.057) 5.536 6.532 ( -5.369 -1.027 0.665) 5.507 7.391 ( -4.179 0.413 6.352) 7.615 8.014 ( 1.539 1.585 -23.399) 23.503 9.861 ( -2.541 -8.130 -11.870) 14.610 9.946 ( 0.660 0.042 18.114) 18.126 11.534 ( -1.254 3.844 -4.061) 5.731 11.970 ( -3.408 -4.541 77.286) 77.494 12.620 ( -0.741 0.791 10.358) 10.415 12.659 ( 1.114 0.362 4.165) 4.327 12.699 ( 0.168 1.527 14.599) 14.680 15.463 ( 0.123 0.721 -10.282) 10.308 17.316 ( -0.572 -0.838 1.323) 1.667 18.219 ( 4.191 17.035 -15.850) 23.642 18.553 ( 2.036 5.795 -3.742) 7.192 20.255 ( -1.441 -3.181 -3.849) 5.197 23.580 ( -9.318 -20.721 -1.635) 22.779 24.632 ( 6.593 -4.529 -8.179) 11.440 ======================= Grid point 107 (43/125) ======================= q-point: (-0.33 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( -4.753 5.988 -11.592) 13.886 2.183 ( -0.001 -5.536 -0.925) 5.613 2.292 ( -0.892 7.629 12.884) 15.000 2.728 ( 5.856 -6.071 -4.599) 9.607 2.774 ( 1.193 -3.005 1.350) 3.503 2.948 ( 2.948 -4.538 9.087) 10.576 3.343 ( -15.568 7.058 -9.642) 19.625 3.433 ( -0.468 -8.506 21.641) 23.257 3.833 ( -0.404 5.562 -5.955) 8.159 4.079 ( -1.962 7.928 2.030) 8.416 4.160 ( 4.568 16.203 6.804) 18.158 4.534 ( 1.380 -4.995 -1.045) 5.287 4.617 ( 0.469 0.635 -6.021) 6.072 4.771 ( 0.748 -1.595 10.001) 10.155 4.943 ( 3.334 -5.967 3.498) 7.678 5.021 ( 1.675 -7.663 8.575) 11.621 5.144 ( -0.643 -5.610 4.004) 6.923 5.445 ( -1.211 17.280 18.308) 25.204 5.948 ( 5.967 -7.278 -5.350) 10.826 6.492 ( -4.481 -0.949 1.629) 4.861 7.364 ( -2.332 -1.750 7.146) 7.718 8.005 ( 1.037 1.718 -25.062) 25.143 9.931 ( 0.728 0.062 11.063) 11.087 9.961 ( -1.904 -4.395 -8.332) 9.611 11.481 ( -0.621 1.265 -5.929) 6.094 12.063 ( -0.222 -9.878 83.339) 83.923 12.603 ( -0.384 0.723 10.174) 10.207 12.667 ( 0.883 0.186 8.597) 8.644 12.679 ( -0.125 0.546 10.114) 10.130 15.450 ( -0.127 0.900 -10.000) 10.042 17.331 ( -0.005 -1.324 1.675) 2.135 17.972 ( 0.770 17.665 -15.175) 23.301 18.485 ( 0.341 4.181 -3.159) 5.251 20.289 ( -0.510 -2.377 -3.586) 4.333 23.792 ( -4.545 -15.577 -2.560) 16.428 24.778 ( 5.227 -5.171 -10.628) 12.924 ======================= Grid point 108 (44/125) ======================= q-point: (-0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 0.000 12.208 -7.997) 14.594 2.052 ( 0.000 18.787 16.803) 25.206 2.232 ( -0.000 -2.021 -10.361) 10.556 2.675 ( 0.000 19.245 -5.433) 19.997 2.958 ( -0.000 -12.037 9.550) 15.365 3.055 ( -0.000 -9.764 5.637) 11.274 3.125 ( 0.000 6.915 -7.961) 10.545 3.570 ( -0.000 -7.038 20.769) 21.929 3.735 ( 0.000 6.532 -4.449) 7.904 3.965 ( 0.000 4.103 0.655) 4.155 4.001 ( 0.000 3.996 2.386) 4.654 4.598 ( 0.000 1.274 -1.230) 1.771 4.615 ( -0.000 -3.095 1.792) 3.576 4.796 ( -0.000 -0.720 10.779) 10.803 4.945 ( 0.000 8.992 0.446) 9.003 5.148 ( 0.000 0.832 7.715) 7.760 5.221 ( -0.000 -4.530 6.052) 7.559 5.307 ( -0.000 -10.633 14.479) 17.964 6.137 ( -0.000 -9.765 -7.077) 12.060 6.471 ( 0.000 0.089 2.301) 2.302 7.402 ( -0.000 -4.758 6.655) 8.181 7.973 ( 0.000 3.034 -27.360) 27.528 9.909 ( 0.000 2.279 14.155) 14.337 10.005 ( -0.000 -1.586 -12.605) 12.704 11.482 ( -0.000 -1.765 -10.199) 10.350 12.287 ( -0.000 -18.203 92.021) 93.804 12.589 ( 0.000 0.620 10.983) 11.001 12.653 ( 0.000 1.321 15.034) 15.092 12.707 ( -0.000 -3.818 11.944) 12.539 15.434 ( 0.000 0.853 -9.625) 9.663 17.355 ( -0.000 -1.549 2.356) 2.820 17.686 ( 0.000 17.687 -14.255) 22.716 18.434 ( 0.000 2.327 -2.755) 3.606 20.318 ( -0.000 -1.543 -3.699) 4.008 23.974 ( -0.000 -10.235 -3.535) 10.828 24.886 ( -0.000 -3.527 -14.857) 15.270 ======================= Grid point 113 (45/125) ======================= q-point: ( 0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( -3.955 -0.000 35.524) 35.743 1.644 ( -0.174 -0.000 19.548) 19.549 1.943 ( 25.136 0.000 9.408) 26.839 2.111 ( -12.063 -0.000 2.138) 12.251 2.976 ( 7.300 0.000 4.262) 8.453 3.307 ( -1.035 -0.000 -2.645) 2.841 3.550 ( -16.502 -0.000 -2.229) 16.652 3.588 ( 28.815 0.000 6.072) 29.448 3.796 ( -9.325 -0.000 1.408) 9.430 4.163 ( 2.984 0.000 1.283) 3.248 4.170 ( -1.645 -0.000 -7.562) 7.739 4.409 ( -4.704 -0.000 9.659) 10.743 4.420 ( -1.814 -0.000 3.879) 4.282 4.679 ( 10.404 0.000 -3.040) 10.839 4.783 ( 1.912 0.000 13.842) 13.974 4.890 ( -2.465 -0.000 20.434) 20.582 5.119 ( -3.217 -0.000 -2.550) 4.105 6.173 ( -7.790 -0.000 -21.699) 23.055 6.270 ( 1.239 0.000 2.991) 3.237 6.499 ( -1.308 -0.000 5.336) 5.494 7.501 ( -6.509 -0.000 3.590) 7.434 8.072 ( 0.337 0.000 -30.665) 30.667 9.564 ( -3.738 -0.000 -12.139) 12.702 9.966 ( 1.979 0.000 32.594) 32.654 11.730 ( 0.567 0.000 -20.483) 20.491 11.970 ( -15.502 -0.000 93.278) 94.558 12.657 ( 1.830 0.000 9.100) 9.282 12.673 ( -3.273 -0.000 17.263) 17.571 12.753 ( 0.176 0.000 12.591) 12.592 15.475 ( 0.917 0.000 -10.554) 10.594 17.313 ( -1.851 -0.000 1.493) 2.378 18.581 ( 5.486 0.000 -8.876) 10.435 19.100 ( -7.753 -0.000 -17.083) 18.760 20.070 ( 0.302 0.000 -3.418) 3.431 22.765 ( -0.225 -0.000 4.834) 4.839 24.443 ( 4.783 0.000 -6.122) 7.769 ======================= Grid point 114 (46/125) ======================= q-point: ( 0.44 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 0.011 -13.251 22.872) 26.434 1.682 ( 0.110 -4.481 12.009) 12.818 2.008 ( -10.216 -2.676 4.198) 11.365 2.331 ( 21.507 -13.223 9.091) 26.834 3.005 ( 1.571 3.272 6.665) 7.590 3.173 ( -10.091 14.040 -0.247) 17.292 3.288 ( -3.043 3.281 6.604) 7.977 3.712 ( -9.837 -0.050 0.516) 9.851 3.951 ( 9.137 -8.550 -1.129) 12.565 4.091 ( 2.406 3.866 -5.855) 7.417 4.313 ( 6.010 -6.591 3.592) 9.616 4.384 ( -0.769 0.750 1.969) 2.243 4.445 ( 3.401 -5.284 5.727) 8.502 4.765 ( 4.535 1.330 1.734) 5.035 4.794 ( 4.325 1.647 10.160) 11.165 4.873 ( -1.172 -0.902 16.780) 16.846 5.082 ( -2.888 1.341 -3.251) 4.551 5.999 ( -6.976 7.250 -12.694) 16.198 6.222 ( -0.287 7.661 4.138) 8.712 6.491 ( -3.259 -1.158 3.481) 4.907 7.426 ( -4.970 1.073 4.186) 6.586 8.066 ( 0.495 1.110 -29.122) 29.147 9.584 ( -2.640 -6.438 -12.445) 14.258 9.974 ( 1.440 1.195 31.175) 31.231 11.686 ( -1.251 4.737 -3.408) 5.968 11.867 ( -6.994 -2.811 71.891) 72.285 12.644 ( -1.410 0.507 11.642) 11.738 12.675 ( 1.740 0.367 7.376) 7.587 12.743 ( -0.325 0.937 15.229) 15.262 15.481 ( 0.536 0.316 -10.817) 10.834 17.298 ( -1.285 -0.298 1.041) 1.680 18.609 ( 5.203 4.773 -12.111) 14.019 18.891 ( -3.356 13.322 -12.347) 18.471 20.118 ( -0.912 -4.669 -3.905) 6.155 22.901 ( -2.810 -16.272 3.616) 16.905 24.509 ( 3.861 -2.355 -6.513) 7.929 ======================= Grid point 115 (47/125) ======================= q-point: ( 0.56 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( 4.434 -14.931 5.511) 16.521 1.788 ( -2.739 -14.385 5.514) 15.647 1.967 ( -6.712 -4.512 4.561) 9.285 2.777 ( 17.394 -13.825 5.517) 22.894 2.829 ( -5.163 9.322 3.314) 11.160 2.953 ( 0.331 10.165 -1.550) 10.288 3.263 ( 1.523 -0.047 20.242) 20.299 3.505 ( -17.685 5.364 5.172) 19.191 3.978 ( -0.883 3.611 -7.355) 8.241 4.205 ( 3.286 -6.682 -0.992) 7.512 4.352 ( -0.184 1.618 0.500) 1.704 4.458 ( 2.373 -5.897 4.706) 7.909 4.625 ( 8.328 -3.525 7.081) 11.486 4.747 ( -1.267 0.812 11.121) 11.222 4.797 ( 2.931 6.799 -7.844) 10.786 4.901 ( 0.681 -4.480 13.405) 14.150 5.031 ( -0.713 0.831 -1.774) 2.085 5.867 ( -0.597 3.257 -6.774) 7.540 6.036 ( -0.746 14.160 6.890) 15.765 6.460 ( -3.971 -0.430 3.155) 5.090 7.366 ( -2.550 1.091 5.393) 6.065 8.051 ( 0.545 1.484 -25.757) 25.806 9.691 ( -1.556 -9.313 -12.559) 15.713 9.966 ( 0.699 1.122 26.172) 26.205 11.591 ( -1.034 4.851 8.054) 9.459 11.873 ( -2.148 -3.686 58.820) 58.975 12.625 ( -0.493 0.592 9.783) 9.813 12.681 ( 1.074 0.820 3.354) 3.616 12.721 ( -0.368 1.272 18.379) 18.426 15.476 ( 0.166 0.687 -10.777) 10.801 17.296 ( -0.536 -0.781 0.923) 1.322 18.505 ( 2.072 13.531 -16.921) 21.765 18.695 ( 0.815 9.187 -5.640) 10.811 20.180 ( -0.898 -4.353 -3.769) 5.828 23.168 ( -3.442 -20.920 1.654) 21.266 24.602 ( 2.582 -4.788 -7.312) 9.114 ======================= Grid point 116 (48/125) ======================= q-point: (-0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( 0.000 3.610 -7.831) 8.623 2.042 ( -0.000 -9.588 3.526) 10.216 2.159 ( -0.000 -22.067 5.889) 22.840 2.721 ( -0.000 -0.078 6.992) 6.992 2.778 ( 0.000 9.861 -4.097) 10.678 3.144 ( 0.000 13.097 2.585) 13.350 3.148 ( -0.000 -12.809 -4.048) 13.433 3.353 ( -0.000 -2.805 30.520) 30.648 3.907 ( 0.000 4.492 -7.201) 8.487 4.200 ( 0.000 7.101 2.856) 7.653 4.425 ( -0.000 -8.132 -2.026) 8.381 4.445 ( 0.000 12.356 2.773) 12.664 4.668 ( 0.000 4.899 -10.309) 11.414 4.750 ( -0.000 -1.491 9.561) 9.676 4.763 ( -0.000 -9.980 12.481) 15.980 5.021 ( -0.000 -7.470 8.346) 11.201 5.029 ( -0.000 -0.206 0.733) 0.762 5.742 ( 0.000 17.900 13.184) 22.231 5.897 ( -0.000 -2.116 -7.444) 7.739 6.444 ( -0.000 -1.084 3.067) 3.253 7.340 ( 0.000 0.278 6.675) 6.681 8.032 ( 0.000 1.235 -24.213) 24.245 9.829 ( -0.000 -8.737 -12.505) 15.255 9.954 ( 0.000 0.860 20.135) 20.153 11.518 ( 0.000 3.581 2.284) 4.247 11.936 ( -0.000 -5.881 67.795) 68.049 12.612 ( 0.000 0.704 9.674) 9.699 12.675 ( 0.000 0.485 0.581) 0.757 12.698 ( 0.000 1.385 19.314) 19.363 15.464 ( 0.000 0.921 -10.453) 10.494 17.310 ( -0.000 -1.197 1.204) 1.698 18.264 ( 0.000 17.377 -16.422) 23.909 18.576 ( 0.000 6.795 -4.032) 7.901 20.238 ( -0.000 -3.529 -3.551) 5.006 23.478 ( -0.000 -20.127 -0.468) 20.133 24.708 ( -0.000 -6.228 -8.659) 10.666 ======================= Grid point 123 (49/125) ======================= q-point: ( 0.44 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( -1.738 -0.000 34.385) 34.429 1.653 ( 0.362 0.000 9.888) 9.895 1.899 ( -5.557 -0.000 5.806) 8.037 2.427 ( 15.232 0.000 4.836) 15.982 3.054 ( 2.257 0.000 16.019) 16.178 3.195 ( -10.440 -0.000 0.370) 10.446 3.303 ( 0.829 0.000 -2.121) 2.277 3.538 ( -11.124 -0.000 3.988) 11.817 3.984 ( 3.695 0.000 -6.706) 7.656 4.130 ( -1.221 -0.000 -8.188) 8.278 4.298 ( 0.837 0.000 12.195) 12.224 4.397 ( -0.246 -0.000 0.177) 0.303 4.515 ( 17.509 0.000 -0.783) 17.526 4.799 ( -0.956 -0.000 13.463) 13.497 4.842 ( -2.245 -0.000 21.111) 21.230 4.856 ( 4.573 0.000 -3.114) 5.533 5.084 ( -0.544 -0.000 -2.934) 2.984 5.939 ( -9.688 -0.000 -11.445) 14.995 6.292 ( 0.630 0.000 4.434) 4.479 6.465 ( -1.225 -0.000 5.210) 5.352 7.390 ( -2.884 -0.000 3.728) 4.713 8.077 ( 0.133 0.000 -31.433) 31.433 9.510 ( -1.198 -0.000 -12.235) 12.293 9.997 ( 0.752 0.000 33.703) 33.711 11.737 ( 0.122 0.000 -21.046) 21.046 11.764 ( -4.153 -0.000 85.623) 85.723 12.635 ( -0.729 -0.000 9.977) 10.004 12.698 ( 1.627 0.000 5.753) 5.978 12.744 ( -0.838 -0.000 18.428) 18.447 15.488 ( 0.288 0.000 -11.129) 11.133 17.283 ( -0.740 -0.000 0.683) 1.007 18.714 ( 5.971 0.000 -14.787) 15.947 18.930 ( -6.869 -0.000 -11.305) 13.228 20.076 ( 0.183 0.000 -3.591) 3.595 22.761 ( -0.078 -0.000 5.083) 5.084 24.520 ( 1.895 0.000 -6.450) 6.723 ======================= Grid point 124 (50/125) ======================= q-point: (-0.44 -0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( -0.000 -17.111 24.742) 30.082 1.684 ( -0.000 -3.524 6.663) 7.537 1.884 ( -0.000 -1.942 5.643) 5.968 2.636 ( -0.000 -13.696 3.870) 14.232 2.990 ( 0.000 13.390 0.379) 13.395 3.059 ( 0.000 2.822 12.131) 12.455 3.288 ( 0.000 1.696 10.214) 10.354 3.481 ( 0.000 2.137 0.662) 2.237 4.008 ( 0.000 0.135 -6.260) 6.262 4.127 ( -0.000 -2.542 -6.429) 6.913 4.351 ( -0.000 -6.112 10.232) 11.918 4.382 ( 0.000 1.542 -0.237) 1.560 4.683 ( -0.000 -4.013 -0.726) 4.078 4.744 ( 0.000 3.583 7.085) 7.940 4.838 ( -0.000 -1.859 24.174) 24.245 4.887 ( 0.000 0.844 -2.968) 3.086 5.056 ( 0.000 2.567 -3.313) 4.191 5.875 ( 0.000 0.594 -9.135) 9.155 6.223 ( 0.000 8.849 5.464) 10.400 6.448 ( 0.000 0.997 4.795) 4.898 7.367 ( 0.000 0.783 4.219) 4.291 8.072 ( 0.000 0.794 -29.586) 29.596 9.554 ( -0.000 -6.155 -12.316) 13.768 9.990 ( 0.000 1.204 31.737) 31.760 11.664 ( 0.000 4.965 20.212) 20.813 11.804 ( -0.000 -3.694 43.636) 43.793 12.629 ( 0.000 0.292 9.399) 9.404 12.702 ( 0.000 0.745 1.668) 1.827 12.732 ( 0.000 0.633 22.174) 22.183 15.486 ( 0.000 0.402 -11.114) 11.121 17.283 ( -0.000 -0.439 0.635) 0.772 18.693 ( 0.000 7.854 -18.484) 20.084 18.824 ( 0.000 6.623 -6.589) 9.342 20.109 ( -0.000 -3.580 -3.685) 5.138 22.872 ( -0.000 -13.288 4.156) 13.923 24.553 ( -0.000 -2.804 -6.708) 7.270 ======================= Grid point 166 (51/125) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( 0.000 0.000 13.366) 13.366 1.373 ( 0.000 0.000 31.599) 31.599 2.185 ( 0.000 0.000 -22.762) 22.762 2.306 ( 0.000 0.000 27.961) 27.961 2.805 ( 0.000 0.000 26.784) 26.784 2.890 ( 0.000 0.000 -3.966) 3.966 3.460 ( 0.000 0.000 -1.463) 1.463 3.969 ( 0.000 0.000 -6.454) 6.454 4.044 ( 0.000 0.000 4.249) 4.249 4.064 ( 0.000 0.000 -3.002) 3.002 4.240 ( 0.000 0.000 -0.978) 0.978 4.291 ( 0.000 0.000 1.157) 1.157 4.601 ( 0.000 0.000 10.166) 10.166 5.148 ( 0.000 0.000 5.865) 5.865 5.176 ( 0.000 0.000 23.570) 23.570 5.445 ( 0.000 0.000 27.911) 27.911 5.528 ( 0.000 0.000 23.082) 23.082 5.529 ( 0.000 0.000 -0.580) 0.580 6.207 ( 0.000 0.000 0.129) 0.129 6.521 ( 0.000 0.000 5.164) 5.164 7.482 ( 0.000 0.000 -26.322) 26.322 7.830 ( 0.000 0.000 5.032) 5.032 9.494 ( 0.000 0.000 -19.271) 19.271 10.464 ( 0.000 0.000 30.563) 30.563 11.152 ( 0.000 0.000 -32.786) 32.786 12.607 ( 0.000 0.000 -7.954) 7.954 12.804 ( 0.000 0.000 13.123) 13.123 13.043 ( 0.000 0.000 27.181) 27.181 15.149 ( 0.000 0.000 -15.854) 15.854 16.663 ( 0.000 0.000 -22.780) 22.780 17.520 ( 0.000 0.000 6.625) 6.625 18.322 ( 0.000 0.000 -5.153) 5.153 19.376 ( 0.000 0.000 4.730) 4.730 19.994 ( 0.000 0.000 -4.654) 4.654 22.903 ( 0.000 0.000 7.958) 7.958 24.060 ( 0.000 0.000 -8.282) 8.282 ======================= Grid point 167 (52/125) ======================= q-point: ( 0.11 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 26.117 -5.356 8.457) 27.970 1.333 ( 8.720 2.396 23.920) 25.572 2.143 ( 0.807 5.362 -20.108) 20.826 2.481 ( -5.149 -20.883 21.645) 30.514 2.668 ( -6.903 8.896 26.155) 28.476 2.988 ( 7.523 -6.536 -1.024) 10.019 3.470 ( -0.276 -1.310 -0.978) 1.658 3.857 ( -4.901 7.886 -2.421) 9.595 3.999 ( 6.891 8.345 2.123) 11.029 4.100 ( -0.857 -1.317 -1.581) 2.229 4.240 ( 2.267 6.773 1.022) 7.215 4.311 ( -2.686 -8.845 -2.403) 9.552 4.666 ( 1.386 -5.144 8.387) 9.935 5.106 ( -5.923 3.262 16.070) 17.435 5.144 ( 2.107 2.973 4.512) 5.800 5.374 ( -7.169 0.715 35.258) 35.987 5.549 ( -3.036 -3.875 7.648) 9.095 5.629 ( 6.031 -3.999 11.511) 13.596 6.154 ( 1.187 5.881 1.012) 6.085 6.534 ( 2.300 0.007 4.899) 5.412 7.507 ( 0.069 -2.559 -23.233) 23.373 7.798 ( -0.593 3.162 6.081) 6.879 9.518 ( -1.886 -4.131 -19.063) 19.596 10.435 ( 1.251 4.173 29.848) 30.165 11.139 ( 0.237 1.733 -32.470) 32.517 12.594 ( -0.052 1.449 -7.990) 8.120 12.808 ( 0.497 -0.134 13.450) 13.460 13.060 ( 1.919 -0.626 27.422) 27.497 15.151 ( 0.377 -0.067 -15.882) 15.887 16.514 ( -32.653 1.981 -1.755) 32.760 17.491 ( -0.228 3.964 6.758) 7.838 18.273 ( 0.811 53.096 18.194) 56.132 18.362 ( 5.653 34.021 13.677) 37.100 20.138 ( -2.178 -6.396 -9.371) 11.553 23.385 ( -6.028 -44.767 -11.695) 46.660 24.067 ( 1.172 -0.059 -8.090) 8.174 ======================= Grid point 168 (53/125) ======================= q-point: ( 0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 10.489 -4.615 6.751) 13.300 1.687 ( 26.295 -13.323 1.774) 29.531 2.074 ( 3.747 3.644 -13.080) 14.086 2.461 ( -7.745 4.690 23.063) 24.776 2.737 ( -4.816 -15.335 2.945) 16.341 3.212 ( 6.009 -7.052 2.764) 9.668 3.483 ( 0.638 -0.862 0.674) 1.267 3.672 ( -4.201 5.659 1.730) 7.257 3.974 ( 8.775 6.327 0.621) 10.836 4.045 ( 0.553 6.384 5.882) 8.698 4.150 ( 2.992 7.037 -2.053) 7.918 4.452 ( -3.880 -12.751 -1.666) 13.432 4.729 ( -1.386 -2.014 6.764) 7.192 4.967 ( -8.591 3.044 7.538) 11.828 5.101 ( 1.544 5.179 6.652) 8.571 5.253 ( -9.099 4.085 24.747) 26.682 5.545 ( -4.471 -0.460 17.520) 18.087 5.749 ( 4.930 -3.190 10.548) 12.073 6.102 ( 1.226 2.319 4.288) 5.027 6.567 ( 3.191 -0.249 3.941) 5.077 7.549 ( 0.580 -2.093 -17.222) 17.358 7.735 ( -0.368 3.558 8.555) 9.272 9.576 ( -2.441 -5.861 -18.714) 19.762 10.374 ( 2.043 5.338 27.617) 28.203 11.104 ( 0.326 2.920 -31.711) 31.847 12.566 ( 0.158 2.067 -8.297) 8.552 12.820 ( 0.997 -0.351 14.081) 14.121 13.098 ( 2.653 -0.823 28.278) 28.414 15.156 ( 0.127 0.232 -15.266) 15.268 15.725 ( -45.515 32.410 76.965) 95.108 17.369 ( 12.085 16.111 -1.845) 20.224 17.591 ( 10.535 19.324 4.013) 22.372 18.347 ( 2.020 0.332 -4.466) 4.913 20.172 ( -2.031 -2.034 -9.896) 10.305 23.875 ( -12.380 -28.699 -17.502) 35.822 24.087 ( 1.764 -0.397 -7.738) 7.947 ======================= Grid point 169 (54/125) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 8.701 -10.823 -4.341) 14.549 1.938 ( 4.737 0.745 -11.714) 12.657 2.337 ( 16.499 -13.837 -4.308) 21.960 2.360 ( -2.124 -2.613 16.849) 17.182 2.821 ( -1.694 1.607 -11.538) 11.772 3.191 ( -7.495 1.509 6.332) 9.927 3.572 ( 4.375 -0.643 -6.700) 8.028 3.651 ( -1.086 -6.650 8.239) 10.643 3.868 ( 7.185 14.321 3.605) 16.422 4.075 ( 6.181 -1.782 10.175) 12.038 4.095 ( 3.776 4.551 -5.988) 8.416 4.584 ( -3.965 -6.885 -1.977) 8.187 4.726 ( -5.375 -3.029 13.845) 15.157 4.848 ( -3.763 1.623 2.565) 4.835 4.994 ( -8.868 3.279 2.602) 9.806 5.093 ( -2.869 4.275 11.995) 13.053 5.496 ( -2.529 0.953 32.041) 32.154 5.837 ( 3.709 -1.809 10.626) 11.399 6.052 ( -2.011 4.687 10.666) 11.822 6.607 ( 2.533 -0.446 2.664) 3.703 7.586 ( 0.996 -1.520 -12.732) 12.862 7.689 ( 0.232 2.043 11.060) 11.250 9.641 ( -1.706 -4.913 -18.567) 19.281 10.322 ( 1.860 3.721 24.510) 24.860 11.059 ( 0.231 2.870 -30.866) 31.000 12.537 ( 0.308 1.705 -8.925) 9.091 12.840 ( 1.201 -0.520 14.300) 14.360 13.138 ( 2.145 -0.656 29.467) 29.552 14.829 ( -24.399 23.797 100.141) 105.783 15.180 ( -0.146 0.669 -12.183) 12.203 17.325 ( 7.710 5.167 -13.009) 15.981 17.505 ( 4.285 5.247 -5.015) 8.429 18.365 ( 1.738 0.154 -4.529) 4.853 20.176 ( -1.328 -0.950 -10.444) 10.571 24.068 ( -5.173 -9.405 -13.556) 17.291 24.119 ( -3.717 -4.833 -8.396) 10.377 ======================= Grid point 170 (55/125) ======================= q-point: ( 0.44 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 4.977 -4.624 -9.106) 11.361 1.975 ( 1.469 -1.026 -9.281) 9.453 2.351 ( -4.625 -4.801 4.357) 7.964 2.603 ( 0.860 4.393 -10.201) 11.140 2.809 ( 9.608 -3.153 3.989) 10.870 3.133 ( -5.083 -1.873 -7.109) 8.937 3.607 ( -1.006 -3.091 0.914) 3.376 3.692 ( -2.302 2.223 -1.021) 3.359 3.819 ( 12.411 2.523 8.108) 15.038 4.024 ( -3.309 5.826 0.128) 6.701 4.155 ( 3.903 -0.637 1.098) 4.104 4.607 ( -0.665 1.008 2.758) 3.011 4.647 ( -6.002 -1.072 8.067) 10.112 4.807 ( -3.077 1.411 0.844) 3.489 4.984 ( -4.576 -9.534 2.992) 10.990 5.038 ( 3.045 3.938 9.033) 10.314 5.466 ( -0.852 0.407 37.074) 37.086 5.883 ( 1.760 -0.020 12.887) 13.006 5.933 ( -2.322 4.454 17.091) 17.814 6.631 ( 0.913 -0.143 2.082) 2.278 7.615 ( 0.477 -0.729 -10.892) 10.926 7.672 ( 0.231 0.572 12.625) 12.640 9.686 ( -0.559 -1.926 -18.573) 18.681 10.297 ( 0.740 1.245 22.273) 22.320 11.026 ( 0.072 1.227 -30.301) 30.326 12.521 ( 0.155 0.649 -9.476) 9.500 12.858 ( 0.605 -0.296 13.858) 13.874 13.162 ( 0.812 -0.250 30.289) 30.300 14.398 ( -7.781 7.945 106.944) 107.520 15.180 ( 0.171 0.026 -15.413) 15.414 17.331 ( 1.638 0.888 -10.680) 10.842 17.489 ( 1.950 1.547 -12.515) 12.760 18.377 ( 0.699 0.050 -4.508) 4.563 20.176 ( -0.455 -0.311 -10.772) 10.786 24.118 ( 4.718 1.590 -11.131) 12.194 24.141 ( -8.044 -5.797 -8.358) 12.968 ======================= Grid point 176 (56/125) ======================= q-point: ( 0.11 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 44.403 0.000 2.351) 44.466 1.483 ( 9.782 0.000 28.465) 30.099 2.201 ( -7.745 -0.000 24.145) 25.357 2.205 ( 1.432 0.000 -19.128) 19.182 2.635 ( -11.900 -0.000 28.488) 30.873 3.024 ( 9.545 0.000 1.305) 9.634 3.445 ( -1.997 -0.000 0.030) 1.997 3.913 ( -2.848 -0.000 -4.706) 5.501 4.036 ( -2.761 -0.000 -3.430) 4.403 4.154 ( 7.150 0.000 1.054) 7.227 4.180 ( -3.317 -0.000 -1.217) 3.534 4.348 ( 2.122 0.000 3.053) 3.718 4.632 ( 1.496 0.000 8.512) 8.643 5.017 ( -13.646 -0.000 6.117) 14.954 5.203 ( 2.956 0.000 8.489) 8.989 5.355 ( 1.050 0.000 43.547) 43.560 5.412 ( -9.458 -0.000 -1.911) 9.649 5.696 ( 7.703 0.000 14.913) 16.785 6.226 ( 1.728 0.000 0.681) 1.858 6.567 ( 3.338 0.000 5.689) 6.596 7.482 ( -0.026 -0.000 -26.189) 26.189 7.810 ( -1.902 -0.000 5.471) 5.792 9.450 ( -3.775 -0.000 -18.843) 19.217 10.492 ( 2.436 0.000 30.686) 30.783 11.157 ( 0.391 0.000 -33.032) 33.034 12.606 ( 0.104 0.000 -7.164) 7.165 12.814 ( 0.845 0.000 14.329) 14.354 13.088 ( 3.726 0.000 27.644) 27.894 15.157 ( 0.700 0.000 -15.935) 15.950 16.116 ( -44.825 -0.000 22.997) 50.380 17.498 ( -1.960 -0.000 6.287) 6.585 18.329 ( 0.095 0.000 -5.835) 5.836 19.095 ( -17.623 -0.000 -3.568) 17.981 19.982 ( -0.917 -0.000 -5.545) 5.621 22.904 ( 0.058 0.000 8.165) 8.165 24.088 ( 2.583 0.000 -8.603) 8.983 ======================= Grid point 177 (57/125) ======================= q-point: ( 0.22 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( 14.025 15.962 17.442) 27.490 1.892 ( 36.281 -5.742 2.436) 36.813 2.173 ( 2.770 2.805 -8.097) 9.006 2.330 ( -6.849 -14.806 16.003) 22.852 2.491 ( -7.551 -2.195 21.660) 23.043 3.179 ( 7.495 -4.462 3.775) 9.504 3.442 ( -1.331 -3.533 1.194) 3.960 3.747 ( -5.744 10.666 -3.401) 12.582 4.085 ( 0.062 -1.839 0.058) 1.841 4.167 ( -2.255 -2.785 0.901) 3.695 4.201 ( 5.752 0.549 -2.421) 6.265 4.320 ( 0.904 3.913 3.088) 5.066 4.663 ( -3.098 -2.398 6.756) 7.810 4.868 ( -11.486 -0.496 2.160) 11.698 5.194 ( -0.130 4.187 17.779) 18.266 5.254 ( -6.102 4.374 8.260) 11.162 5.440 ( -1.510 -4.671 23.940) 24.439 5.773 ( 5.462 -0.152 11.265) 12.521 6.202 ( 3.005 5.015 2.051) 6.196 6.601 ( 2.766 0.172 5.438) 6.103 7.510 ( 0.222 -3.009 -23.246) 23.441 7.764 ( -2.688 2.055 6.803) 7.598 9.445 ( -4.367 -5.038 -18.453) 19.621 10.486 ( 3.210 4.402 30.133) 30.621 11.147 ( 0.399 1.754 -32.838) 32.887 12.598 ( 0.579 1.410 -6.846) 7.014 12.827 ( 1.118 -0.239 15.356) 15.398 13.133 ( 4.329 0.122 28.564) 28.891 15.163 ( 0.288 0.374 -15.301) 15.308 15.498 ( -49.980 10.249 65.282) 82.854 17.461 ( -2.341 1.338 5.478) 6.106 18.250 ( -1.987 17.942 -9.171) 20.248 18.517 ( 5.902 28.712 -3.985) 29.582 20.069 ( -3.375 -7.092 -9.553) 12.367 23.209 ( -7.874 -31.833 -0.893) 32.805 24.125 ( 3.988 -0.178 -8.901) 9.755 ======================= Grid point 178 (58/125) ======================= q-point: ( 0.33 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 12.061 0.140 5.188) 13.130 2.053 ( 3.757 5.090 -6.812) 9.296 2.280 ( -7.335 1.543 16.233) 17.880 2.427 ( 24.075 -7.331 7.421) 26.237 2.700 ( 3.576 -15.438 -5.377) 16.734 3.168 ( -7.611 5.526 4.764) 10.543 3.518 ( -9.310 3.940 4.567) 11.093 3.605 ( 8.495 -6.742 -3.563) 11.416 4.098 ( 3.223 -0.081 9.903) 10.415 4.179 ( -1.347 2.373 -0.819) 2.849 4.217 ( 12.004 7.612 -1.435) 14.286 4.369 ( -2.535 -11.255 -1.868) 11.687 4.609 ( -8.669 -0.595 5.463) 10.264 4.803 ( -5.210 -1.786 3.222) 6.381 5.001 ( -9.031 10.369 3.782) 14.261 5.173 ( 0.912 3.957 10.819) 11.556 5.466 ( -1.659 -0.970 32.389) 32.446 5.822 ( 1.726 -1.312 10.814) 11.029 6.149 ( 2.468 6.192 6.225) 9.120 6.622 ( 1.214 -0.128 3.933) 4.118 7.565 ( 0.823 -2.828 -17.771) 18.014 7.704 ( -2.695 1.475 9.167) 9.668 9.505 ( -3.748 -7.686 -18.305) 20.203 10.434 ( 3.177 6.248 28.026) 28.889 11.112 ( 0.357 3.003 -31.952) 32.095 12.577 ( 0.916 2.257 -7.321) 7.716 12.845 ( 1.103 -0.408 15.600) 15.644 13.172 ( 3.735 0.691 29.873) 30.114 14.785 ( -35.537 13.370 93.787) 101.181 15.181 ( -0.279 -0.062 -14.364) 14.367 17.413 ( -1.646 1.719 3.832) 4.511 17.861 ( 8.618 24.698 -19.784) 32.797 18.417 ( 4.080 3.455 -5.016) 7.331 20.117 ( -2.670 -3.764 -10.737) 11.687 23.564 ( -13.249 -26.397 -5.454) 30.035 24.182 ( 5.740 -0.288 -9.374) 10.996 ======================= Grid point 179 (59/125) ======================= q-point: ( 0.44 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 7.984 -5.352 -5.358) 11.004 2.031 ( 3.576 2.243 -6.673) 7.896 2.212 ( -5.028 -3.432 5.465) 8.181 2.676 ( 5.620 -0.674 1.143) 5.775 2.903 ( 3.503 5.136 2.529) 6.712 3.011 ( -2.404 -6.797 -4.161) 8.324 3.423 ( -9.062 -5.113 5.934) 11.978 3.712 ( 1.452 1.557 -5.967) 6.335 4.099 ( 4.866 6.596 3.380) 8.866 4.133 ( 4.088 8.195 0.439) 9.169 4.238 ( 5.449 4.465 0.413) 7.056 4.509 ( -2.461 -8.511 0.126) 8.860 4.565 ( -5.406 -4.135 10.151) 12.221 4.736 ( -6.671 -1.794 -0.593) 6.934 4.865 ( 2.577 -0.904 2.362) 3.611 5.141 ( 3.333 2.438 10.229) 11.031 5.452 ( -1.355 0.040 38.971) 38.995 5.855 ( -0.967 -2.196 9.354) 9.657 6.040 ( 0.168 8.983 14.051) 16.678 6.628 ( -0.795 -0.236 2.542) 2.673 7.610 ( 1.061 -1.304 -12.831) 12.941 7.663 ( -2.578 -0.027 11.019) 11.316 9.591 ( -2.701 -7.124 -18.366) 19.883 10.369 ( 2.191 5.431 24.863) 25.544 11.066 ( 0.346 3.061 -30.868) 31.021 12.550 ( 0.799 2.230 -8.225) 8.560 12.860 ( 0.409 -0.180 14.632) 14.639 13.190 ( 2.389 1.370 30.777) 30.900 14.344 ( -18.109 3.902 104.116) 105.751 15.180 ( -0.098 0.029 -15.906) 15.907 17.377 ( -0.373 1.224 1.950) 2.332 17.652 ( 6.420 13.888 -24.620) 28.987 18.409 ( 2.116 2.212 -5.074) 5.926 20.142 ( -1.585 -2.491 -10.994) 11.383 23.768 ( -12.726 -18.013 -5.670) 22.772 24.259 ( 7.736 0.060 -10.478) 13.024 ======================= Grid point 180 (60/125) ======================= q-point: (-0.44 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( -4.000 4.231 -8.217) 10.071 2.038 ( 3.735 3.211 -7.687) 9.130 2.342 ( 4.237 -12.191 -1.469) 12.990 2.610 ( -0.146 6.804 -4.826) 8.343 2.790 ( -7.460 5.205 2.724) 9.495 3.159 ( 3.146 -5.449 -1.366) 6.438 3.425 ( -11.287 -5.429 0.920) 12.559 3.662 ( -1.027 1.176 -5.786) 5.993 3.888 ( -6.660 10.608 1.054) 12.570 4.103 ( 5.236 7.442 -0.149) 9.101 4.184 ( 3.414 4.132 5.969) 8.022 4.570 ( 0.402 -3.759 3.093) 4.884 4.652 ( 1.747 -5.968 8.879) 10.840 4.796 ( 2.372 -4.968 -0.568) 5.535 4.943 ( 1.475 -2.477 2.952) 4.126 5.182 ( 8.444 1.714 8.245) 11.925 5.450 ( -0.415 -1.371 38.773) 38.799 5.866 ( -2.729 0.720 10.530) 10.902 5.919 ( 0.718 1.879 19.459) 19.562 6.612 ( -2.583 -0.117 2.000) 3.269 7.625 ( -0.019 0.177 -6.287) 6.290 7.645 ( -1.942 -0.642 8.322) 8.569 9.660 ( -1.603 -4.193 -18.424) 18.963 10.314 ( 0.738 3.291 22.325) 22.578 11.031 ( 0.310 1.548 -30.153) 30.194 12.527 ( 0.396 1.301 -8.948) 9.051 12.856 ( -0.715 0.407 13.732) 13.757 13.181 ( 0.802 1.971 30.751) 30.825 14.271 ( -3.577 -9.771 106.572) 107.079 15.177 ( -0.402 0.086 -16.045) 16.050 17.362 ( 1.197 1.766 -2.240) 3.093 17.519 ( 0.716 8.162 -21.938) 23.418 18.390 ( 0.456 1.899 -4.800) 5.182 20.163 ( -0.601 -1.693 -10.797) 10.945 23.879 ( -9.542 -11.945 -5.489) 16.243 24.344 ( 9.478 1.503 -12.567) 15.812 ======================= Grid point 181 (61/125) ======================= q-point: (-0.33 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( -7.690 7.012 -8.736) 13.588 1.987 ( 2.604 7.368 -9.076) 11.977 2.404 ( -10.203 13.169 6.214) 17.780 2.513 ( 1.911 11.833 -5.997) 13.402 2.714 ( 4.992 -13.453 -11.716) 18.525 3.242 ( 2.757 -1.509 5.909) 6.692 3.359 ( -17.234 -9.321 0.515) 19.600 3.653 ( -2.085 1.515 -3.415) 4.278 3.786 ( 2.262 -2.299 3.054) 4.442 4.007 ( -4.384 1.525 -4.729) 6.626 4.151 ( 4.112 9.367 9.968) 14.283 4.639 ( 2.092 -2.996 0.508) 3.689 4.755 ( 0.797 -3.900 15.224) 15.735 4.893 ( 4.700 -0.575 2.046) 5.158 4.961 ( -0.678 -1.567 2.175) 2.765 5.232 ( 12.803 4.845 10.647) 17.342 5.487 ( 1.089 -2.532 33.233) 33.347 5.781 ( -7.080 0.806 16.049) 17.560 6.018 ( 4.727 -6.081 10.574) 13.082 6.578 ( -3.453 0.077 2.035) 4.009 7.607 ( -0.183 1.986 -10.453) 10.641 7.641 ( -2.030 -2.028 12.947) 13.261 9.685 ( -0.394 -0.389 -18.461) 18.469 10.284 ( -0.420 0.571 22.026) 22.038 11.028 ( 0.126 -0.809 -30.124) 30.135 12.520 ( 0.068 -0.165 -9.178) 9.180 12.836 ( -1.094 0.632 13.642) 13.700 13.148 ( -0.457 2.291 29.864) 29.955 14.582 ( 7.707 -26.979 107.257) 110.866 15.170 ( -0.645 -0.011 -15.535) 15.548 17.290 ( -1.980 8.518 -21.881) 23.564 17.446 ( -1.597 -0.892 -0.386) 1.870 18.362 ( -0.550 1.389 -4.538) 4.778 20.182 ( 0.167 -0.973 -10.336) 10.383 23.948 ( -5.734 -7.474 -5.940) 11.137 24.404 ( 10.031 5.138 -16.101) 19.654 ======================= Grid point 182 (62/125) ======================= q-point: (-0.22 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( -4.450 11.452 -3.834) 12.870 1.790 ( -7.417 23.642 -6.131) 25.525 2.017 ( -5.470 4.115 -10.438) 12.482 2.475 ( 3.050 0.242 14.253) 14.577 2.939 ( 8.355 -0.865 -6.034) 10.342 3.225 ( -7.931 3.009 -0.234) 8.486 3.396 ( -2.862 -11.035 6.103) 12.931 3.611 ( -2.167 -0.995 -0.744) 2.498 3.905 ( 4.791 -4.505 -0.162) 6.579 3.984 ( -1.974 9.071 10.128) 13.739 4.007 ( -3.908 -7.004 -2.709) 8.466 4.659 ( 2.323 7.837 -0.937) 8.228 4.748 ( -0.943 -0.285 6.654) 6.726 4.968 ( 3.776 -4.054 13.697) 14.775 5.014 ( -0.459 -4.324 4.964) 6.600 5.342 ( 11.888 -0.040 20.420) 23.628 5.544 ( 0.574 -2.508 24.033) 24.170 5.696 ( -7.338 -1.147 10.899) 13.189 6.119 ( 2.837 0.341 4.248) 5.120 6.540 ( -2.580 0.267 2.765) 3.791 7.570 ( -0.417 1.784 -12.296) 12.432 7.671 ( -0.789 -3.727 11.524) 12.137 9.665 ( 0.481 2.939 -18.608) 18.845 10.293 ( -0.715 -2.573 24.226) 24.372 11.056 ( -0.065 -2.550 -30.684) 30.790 12.534 ( -0.014 -1.541 -9.042) 9.172 12.817 ( -0.651 0.455 13.469) 13.492 13.103 ( -0.846 2.170 28.631) 28.725 15.152 ( 0.883 -1.085 -12.837) 12.913 15.343 ( 14.388 -51.187 103.069) 115.976 17.082 ( -9.619 8.564 -23.589) 26.875 17.474 ( -0.161 -2.879 5.772) 6.452 18.338 ( -0.623 0.770 -4.488) 4.596 20.197 ( 0.502 -0.250 -9.768) 9.784 23.992 ( -2.388 -3.633 -7.185) 8.398 24.368 ( 7.549 13.029 -21.025) 25.861 ======================= Grid point 183 (63/125) ======================= q-point: (-0.11 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( 0.000 15.735 3.252) 16.067 1.361 ( 0.000 15.649 9.847) 18.489 2.040 ( -0.000 -5.809 -18.135) 19.043 2.555 ( -0.000 -7.545 22.205) 23.452 2.858 ( 0.000 18.121 14.235) 23.044 3.054 ( 0.000 7.785 -4.485) 8.984 3.487 ( -0.000 -0.078 -0.279) 0.289 3.730 ( -0.000 -14.256 4.370) 14.910 3.858 ( 0.000 1.054 1.142) 1.554 4.072 ( -0.000 -10.121 0.182) 10.123 4.089 ( -0.000 -4.306 -1.762) 4.653 4.502 ( 0.000 11.379 -2.591) 11.670 4.732 ( 0.000 3.152 7.416) 8.058 5.067 ( -0.000 -5.017 17.722) 18.419 5.077 ( -0.000 -3.904 6.413) 7.508 5.430 ( -0.000 -0.507 29.995) 29.999 5.541 ( 0.000 0.221 21.229) 21.231 5.691 ( 0.000 0.300 -1.458) 1.489 6.094 ( 0.000 1.240 2.479) 2.772 6.522 ( 0.000 0.118 3.835) 3.837 7.542 ( 0.000 1.757 -16.959) 17.049 7.736 ( -0.000 -4.543 8.549) 9.681 9.604 ( 0.000 4.900 -18.897) 19.522 10.350 ( -0.000 -4.977 27.499) 27.946 11.100 ( -0.000 -2.818 -31.558) 31.683 12.565 ( -0.000 -2.107 -8.674) 8.926 12.808 ( 0.000 0.245 13.235) 13.237 13.067 ( 0.000 1.561 27.729) 27.773 15.152 ( 0.000 0.190 -15.960) 15.961 16.604 ( -0.000 -87.622 92.191) 127.188 16.832 ( 0.000 10.187 -23.954) 26.030 17.527 ( -0.000 -4.823 9.637) 10.776 18.326 ( 0.000 0.271 -4.595) 4.603 20.196 ( 0.000 0.996 -9.385) 9.437 23.979 ( 0.000 11.034 -15.286) 18.853 24.126 ( 0.000 17.446 -17.296) 24.567 ======================= Grid point 186 (64/125) ======================= q-point: ( 0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 16.872 0.000 21.486) 27.319 2.009 ( -5.934 -0.000 14.381) 15.558 2.223 ( -0.505 -0.000 -9.139) 9.153 2.254 ( 23.727 0.000 10.048) 25.767 2.405 ( 3.351 0.000 21.963) 22.217 3.270 ( 12.887 0.000 3.209) 13.280 3.358 ( -5.359 -0.000 1.109) 5.472 3.858 ( -2.295 -0.000 -5.218) 5.700 3.902 ( -11.058 -0.000 -3.628) 11.638 4.105 ( -2.621 -0.000 -3.764) 4.587 4.295 ( -5.886 -0.000 7.254) 9.342 4.369 ( 10.994 0.000 -0.406) 11.001 4.614 ( -4.007 -0.000 5.785) 7.037 4.745 ( -7.856 -0.000 2.156) 8.146 5.186 ( -9.242 -0.000 -4.010) 10.075 5.231 ( -0.198 -0.000 27.145) 27.146 5.433 ( 3.416 0.000 31.112) 31.299 5.841 ( 5.246 0.000 4.523) 6.926 6.279 ( 2.914 0.000 2.217) 3.662 6.628 ( 1.535 0.000 6.293) 6.477 7.482 ( 0.093 0.000 -25.750) 25.750 7.739 ( -4.558 -0.000 6.768) 8.159 9.348 ( -4.945 -0.000 -17.994) 18.661 10.564 ( 3.829 0.000 31.348) 31.581 11.165 ( 0.261 0.000 -33.571) 33.572 12.620 ( 1.251 0.000 -5.620) 5.758 12.838 ( 1.178 0.000 16.669) 16.710 13.187 ( 4.864 0.000 29.564) 29.962 15.032 ( -46.710 -0.000 79.677) 92.359 15.173 ( 0.630 0.000 -16.296) 16.308 17.438 ( -3.305 -0.000 5.165) 6.132 18.306 ( -2.163 -0.000 -11.954) 12.148 18.814 ( -7.584 -0.000 -18.556) 20.046 19.960 ( -0.981 -0.000 -7.585) 7.648 22.906 ( 0.171 0.000 8.723) 8.724 24.169 ( 4.479 0.000 -9.652) 10.640 ======================= Grid point 187 (65/125) ======================= q-point: ( 0.33 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( 9.263 15.274 14.029) 22.713 2.126 ( -4.893 3.954 10.249) 12.025 2.214 ( -0.128 -4.165 10.404) 11.208 2.378 ( -0.970 -16.158 16.771) 23.308 2.716 ( 27.630 -2.872 -4.995) 28.225 3.211 ( -2.448 7.248 1.612) 7.819 3.529 ( 0.279 0.818 4.553) 4.634 3.590 ( 0.081 1.010 -4.682) 4.790 4.004 ( -7.676 -11.275 -2.678) 13.901 4.081 ( -2.047 -2.160 0.281) 2.989 4.271 ( -1.546 -3.334 2.402) 4.390 4.442 ( 9.731 5.343 -2.284) 11.334 4.536 ( -6.693 1.419 2.463) 7.272 4.716 ( -2.974 -2.589 5.437) 6.716 5.054 ( -5.971 5.881 -2.187) 8.662 5.211 ( -1.305 1.404 22.348) 22.430 5.459 ( 0.936 0.203 31.596) 31.610 5.863 ( 2.579 2.471 6.115) 7.081 6.272 ( 3.000 4.741 3.734) 6.739 6.630 ( -0.271 0.486 5.600) 5.627 7.516 ( 0.321 -3.548 -23.048) 23.321 7.677 ( -5.008 0.662 8.265) 9.687 9.345 ( -4.322 -5.847 -17.786) 19.215 10.566 ( 3.740 4.806 31.017) 31.609 11.153 ( 0.145 1.664 -33.248) 33.290 12.624 ( 1.659 1.649 -5.335) 5.825 12.852 ( 1.040 -0.188 16.913) 16.946 13.232 ( 4.256 0.902 31.001) 31.305 14.525 ( -35.389 4.713 94.430) 100.954 15.180 ( 0.239 -0.068 -16.450) 16.452 17.398 ( -3.169 0.297 4.219) 5.285 18.203 ( -2.051 10.937 -22.022) 24.674 18.606 ( 2.448 13.081 -12.039) 17.946 20.007 ( -2.117 -5.555 -10.074) 11.697 23.077 ( -4.104 -19.137 5.308) 20.279 24.228 ( 4.935 -1.015 -10.252) 11.423 ======================= Grid point 188 (66/125) ======================= q-point: ( 0.44 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 9.323 0.729 3.644) 10.036 2.039 ( -4.355 -0.115 9.022) 10.019 2.179 ( -2.720 2.271 3.289) 4.834 2.653 ( 5.882 -10.531 8.310) 14.648 2.935 ( 0.335 0.145 -1.529) 1.572 3.038 ( -0.016 8.655 0.865) 8.698 3.343 ( -1.151 2.928 2.691) 4.140 3.746 ( 1.668 -0.029 -6.533) 6.743 4.092 ( -6.822 -2.874 1.034) 7.475 4.155 ( 2.239 -12.759 4.064) 13.577 4.374 ( 0.546 -3.466 1.589) 3.852 4.393 ( 2.056 2.543 -1.968) 3.817 4.495 ( 3.738 1.450 -2.097) 4.524 4.690 ( -2.873 2.731 4.911) 6.311 4.927 ( 1.860 3.731 -0.679) 4.224 5.174 ( -1.082 0.615 16.995) 17.041 5.451 ( -0.407 0.810 34.484) 34.495 5.844 ( 0.589 1.515 10.937) 11.057 6.192 ( 1.334 8.469 7.996) 11.724 6.610 ( -2.296 0.273 3.903) 4.536 7.583 ( 0.692 -3.581 -18.186) 18.548 7.620 ( -4.403 -0.199 10.644) 11.521 9.424 ( -3.292 -8.802 -17.889) 20.207 10.503 ( 2.837 7.291 28.705) 29.752 11.118 ( 0.183 2.838 -31.970) 32.096 12.604 ( 1.428 2.861 -5.955) 6.759 12.862 ( 0.395 0.023 15.545) 15.550 13.249 ( 2.968 1.981 32.067) 32.264 14.160 ( -20.754 1.048 101.728) 103.829 15.180 ( -0.099 0.090 -16.729) 16.729 17.366 ( -2.169 -0.224 3.349) 3.996 17.971 ( 2.427 16.310 -28.505) 32.931 18.503 ( 3.216 5.958 -7.081) 9.797 20.065 ( -1.916 -4.503 -11.084) 12.117 23.335 ( -7.396 -20.305 1.780) 21.683 24.310 ( 5.372 -2.173 -11.155) 12.570 ======================= Grid point 189 (67/125) ======================= q-point: ( 0.56 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 0.015 6.510 -2.966) 7.154 2.065 ( 0.650 -4.905 0.273) 4.955 2.186 ( 0.930 -8.959 -2.770) 9.424 2.733 ( -1.677 8.948 -1.082) 9.168 2.810 ( 1.653 2.130 2.618) 3.758 3.038 ( -3.735 -6.092 8.443) 11.061 3.336 ( -1.368 1.605 -2.928) 3.609 3.700 ( -0.205 3.597 -7.462) 8.286 3.957 ( -9.823 8.052 -1.586) 12.800 4.226 ( -3.303 7.161 -2.316) 8.219 4.327 ( 6.505 -0.826 2.011) 6.858 4.520 ( 2.942 -1.647 3.573) 4.913 4.552 ( 1.573 -5.559 9.147) 10.819 4.720 ( 3.340 -6.949 -3.335) 8.400 4.964 ( 5.046 -0.999 2.812) 5.863 5.206 ( 2.348 -4.903 15.919) 16.821 5.439 ( -0.058 -0.050 34.999) 34.999 5.837 ( -0.131 -0.415 10.641) 10.649 6.039 ( -0.198 10.665 14.821) 18.261 6.574 ( -3.670 -0.052 2.844) 4.643 7.588 ( -3.239 -1.080 12.852) 13.297 7.634 ( 0.688 -1.544 -13.852) 13.954 9.534 ( -2.164 -8.290 -18.037) 19.969 10.411 ( 1.458 6.893 25.113) 26.083 11.073 ( 0.262 2.957 -30.592) 30.735 12.569 ( 0.789 2.941 -7.023) 7.654 12.857 ( -0.496 0.588 14.008) 14.029 13.235 ( 1.486 2.875 32.077) 32.240 14.054 ( -8.308 -8.005 104.326) 104.962 15.175 ( -0.296 0.224 -16.817) 16.821 17.360 ( -0.792 -1.137 3.035) 3.336 17.752 ( 2.727 15.366 -29.280) 33.180 18.449 ( 1.370 4.284 -5.987) 7.489 20.112 ( -1.062 -3.502 -10.984) 11.578 23.553 ( -6.514 -16.917 -0.450) 18.134 24.411 ( 5.368 -2.709 -12.734) 14.083 ======================= Grid point 190 (68/125) ======================= q-point: (-0.33 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( -4.341 9.322 -6.785) 12.320 2.113 ( 2.378 1.545 -4.982) 5.732 2.452 ( 2.170 -11.281 -2.290) 11.714 2.557 ( -2.368 5.478 -4.294) 7.352 2.778 ( 8.322 7.835 -5.498) 12.684 3.053 ( -13.069 -2.674 1.141) 13.389 3.237 ( -3.216 0.521 5.263) 6.189 3.678 ( 1.958 1.413 -6.199) 6.653 3.764 ( -3.657 2.664 0.232) 4.531 4.062 ( -2.238 8.641 -3.655) 9.646 4.373 ( 7.272 7.971 7.367) 13.065 4.564 ( -1.950 -6.151 0.507) 6.473 4.664 ( 0.120 -6.484 13.620) 15.086 4.856 ( 1.819 -5.680 -0.692) 6.005 5.004 ( 2.437 1.734 2.867) 4.143 5.350 ( 4.713 -5.386 18.543) 19.877 5.460 ( 1.346 -1.801 29.500) 29.585 5.785 ( -3.353 7.739 12.736) 15.276 5.962 ( 2.232 -3.839 14.460) 15.127 6.538 ( -2.986 -0.312 2.414) 3.852 7.584 ( -1.700 -1.852 14.295) 14.514 7.641 ( 0.276 1.260 -11.493) 11.565 9.628 ( -0.918 -5.411 -18.157) 18.968 10.327 ( 0.311 4.600 22.240) 22.713 11.037 ( 0.180 1.648 -29.862) 29.908 12.535 ( 0.229 1.792 -8.087) 8.287 12.838 ( -0.607 0.827 13.535) 13.574 13.194 ( 0.323 3.320 31.076) 31.254 14.229 ( -0.655 -20.163 105.847) 107.752 15.168 ( -0.291 0.310 -16.663) 16.669 17.383 ( 0.566 -1.624 2.908) 3.379 17.524 ( -0.053 15.268 -27.620) 31.560 18.397 ( 0.138 3.206 -5.162) 6.079 20.153 ( -0.288 -2.547 -10.534) 10.841 23.734 ( -3.369 -12.742 -2.525) 13.420 24.502 ( 4.032 -1.620 -15.279) 15.885 ======================= Grid point 191 (69/125) ======================= q-point: (-0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( 0.000 6.893 -8.462) 10.914 2.057 ( 0.000 6.510 -7.415) 9.867 2.212 ( 0.000 25.777 -4.645) 26.192 2.551 ( 0.000 6.691 -2.339) 7.088 2.901 ( -0.000 -10.293 -9.984) 14.340 3.034 ( -0.000 -12.362 2.771) 12.669 3.274 ( -0.000 -3.680 10.587) 11.208 3.630 ( 0.000 3.619 -5.231) 6.361 3.825 ( -0.000 -8.526 0.015) 8.526 3.937 ( 0.000 4.085 -3.348) 5.282 4.212 ( 0.000 15.170 9.899) 18.114 4.670 ( -0.000 -6.387 3.222) 7.154 4.739 ( -0.000 -1.762 9.182) 9.350 4.945 ( -0.000 -4.498 2.519) 5.155 4.973 ( 0.000 2.601 6.302) 6.818 5.435 ( -0.000 -0.582 23.651) 23.658 5.510 ( -0.000 -2.220 21.239) 21.355 5.638 ( 0.000 3.672 17.169) 17.558 6.088 ( -0.000 -6.734 6.788) 9.561 6.524 ( -0.000 -0.149 2.366) 2.371 7.606 ( 0.000 2.809 -10.886) 11.243 7.612 ( -0.000 -2.860 13.956) 14.246 9.679 ( -0.000 -1.369 -18.346) 18.397 10.279 ( 0.000 1.289 21.877) 21.915 11.029 ( -0.000 -0.620 -29.976) 29.983 12.521 ( 0.000 0.004 -8.865) 8.865 12.822 ( 0.000 0.666 13.404) 13.420 13.143 ( 0.000 3.098 29.677) 29.839 14.678 ( -0.000 -36.437 108.183) 114.154 15.160 ( 0.000 0.339 -16.407) 16.411 17.263 ( 0.000 15.973 -26.794) 31.194 17.428 ( -0.000 -2.769 4.838) 5.574 18.356 ( 0.000 1.898 -4.629) 5.003 20.184 ( -0.000 -1.496 -10.061) 10.171 23.883 ( -0.000 -8.214 -4.756) 9.492 24.524 ( 0.000 2.780 -18.727) 18.932 ======================= Grid point 196 (70/125) ======================= q-point: ( 0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( -3.772 -0.000 17.910) 18.303 2.127 ( -8.859 -0.000 27.520) 28.911 2.146 ( 1.344 0.000 4.355) 4.558 2.212 ( 13.327 0.000 12.654) 18.377 2.969 ( 18.024 0.000 -3.568) 18.373 3.258 ( -2.647 -0.000 -1.612) 3.099 3.540 ( -14.705 -0.000 1.475) 14.779 3.634 ( 15.389 0.000 -2.397) 15.574 3.798 ( -3.830 -0.000 -2.533) 4.592 4.025 ( -5.471 -0.000 -5.469) 7.736 4.230 ( 2.277 0.000 2.050) 3.064 4.470 ( -6.899 -0.000 0.553) 6.921 4.606 ( 9.527 0.000 -3.277) 10.075 4.660 ( -1.401 -0.000 8.196) 8.315 5.056 ( -2.671 -0.000 -3.254) 4.210 5.198 ( -3.037 -0.000 25.152) 25.334 5.469 ( 0.160 0.000 31.662) 31.662 5.907 ( 0.600 0.000 5.337) 5.371 6.346 ( 2.987 0.000 4.114) 5.084 6.628 ( -1.346 -0.000 6.389) 6.529 7.486 ( 0.196 0.000 -24.788) 24.789 7.621 ( -5.626 -0.000 8.173) 9.922 9.251 ( -3.597 -0.000 -17.433) 17.801 10.648 ( 3.491 0.000 32.797) 32.982 11.167 ( -0.067 -0.000 -34.062) 34.062 12.659 ( 2.035 0.000 -4.118) 4.593 12.862 ( 0.923 0.000 17.123) 17.148 13.285 ( 3.667 0.000 32.520) 32.726 14.204 ( -27.730 -0.000 98.328) 102.163 15.181 ( 0.093 0.000 -17.015) 17.015 17.363 ( -3.199 -0.000 3.426) 4.687 18.251 ( -2.416 -0.000 -24.851) 24.968 18.717 ( -2.232 -0.000 -16.430) 16.581 19.944 ( -0.449 -0.000 -9.532) 9.543 22.911 ( 0.234 0.000 9.410) 9.413 24.268 ( 4.116 0.000 -10.754) 11.515 ======================= Grid point 197 (71/125) ======================= q-point: ( 0.44 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 4.102 6.513 15.135) 16.980 1.993 ( -5.801 2.003 16.976) 18.051 2.137 ( -6.238 -1.128 9.387) 11.327 2.542 ( 12.471 -13.701 9.776) 20.948 3.016 ( 2.352 7.295 -2.996) 8.230 3.157 ( -6.736 10.630 -0.347) 12.589 3.406 ( 3.291 -1.750 2.195) 4.326 3.729 ( -3.532 -1.049 -1.808) 4.104 3.933 ( -1.197 -8.592 0.949) 8.726 3.971 ( -2.351 -5.581 -6.846) 9.140 4.337 ( 5.551 -3.012 -1.543) 6.501 4.418 ( 1.470 -1.650 -1.128) 2.481 4.596 ( 3.017 3.950 -0.088) 4.972 4.726 ( 2.742 -0.079 3.888) 4.758 4.997 ( 0.028 3.859 -1.531) 4.152 5.152 ( -4.259 0.243 19.497) 19.958 5.459 ( -0.587 0.869 31.677) 31.694 5.885 ( -0.284 2.059 12.057) 12.235 6.328 ( 2.015 5.877 5.828) 8.519 6.596 ( -2.331 1.284 5.631) 6.228 7.522 ( 0.149 -3.795 -21.165) 21.503 7.566 ( -4.297 -0.407 8.237) 9.300 9.268 ( -2.487 -6.038 -17.451) 18.633 10.638 ( 2.505 5.235 32.303) 32.820 11.154 ( -0.060 1.476 -33.440) 33.473 12.663 ( 1.632 2.084 -4.028) 4.820 12.869 ( 0.479 0.175 15.660) 15.668 13.308 ( 2.452 1.377 33.682) 33.799 13.953 ( -16.768 -0.275 101.788) 103.160 15.181 ( -0.102 0.092 -17.329) 17.330 17.334 ( -2.265 -0.414 2.664) 3.521 18.167 ( -1.191 7.708 -30.595) 31.574 18.639 ( 0.757 6.454 -11.204) 12.953 19.976 ( -0.814 -3.971 -10.667) 11.411 23.017 ( -1.523 -12.333 7.844) 14.695 24.323 ( 3.320 -1.849 -11.310) 11.931 ======================= Grid point 198 (72/125) ======================= q-point: ( 0.56 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( 4.568 4.030 5.531) 8.228 1.953 ( -1.995 -5.738 9.963) 11.669 2.076 ( -5.407 -1.200 5.829) 8.041 2.823 ( 5.032 -3.736 -1.194) 6.380 2.894 ( 1.540 7.072 -1.355) 7.363 2.950 ( -3.707 2.180 5.763) 7.190 3.414 ( 0.233 7.966 2.981) 8.509 3.738 ( 1.798 -2.309 -3.240) 4.367 3.882 ( -9.491 -2.095 0.536) 9.734 4.177 ( -0.205 -11.031 -1.765) 11.173 4.314 ( -1.022 2.304 -3.528) 4.336 4.553 ( 3.491 1.555 -0.438) 3.847 4.625 ( 7.491 -1.274 -3.655) 8.432 4.678 ( 0.410 2.286 4.058) 4.676 4.996 ( 2.605 -0.835 1.250) 3.007 5.129 ( -2.456 -3.665 18.712) 19.225 5.437 ( -0.635 0.671 30.361) 30.375 5.856 ( 0.487 1.572 15.784) 15.870 6.211 ( 0.462 10.076 9.564) 13.900 6.546 ( -2.386 1.273 4.544) 5.288 7.538 ( -2.262 -1.114 11.521) 11.793 7.595 ( 0.283 -3.895 -18.040) 18.458 9.372 ( -1.299 -9.028 -17.636) 19.855 10.549 ( 1.129 7.996 29.276) 30.369 11.121 ( 0.045 2.605 -31.798) 31.905 12.630 ( 0.734 3.452 -4.879) 6.021 12.864 ( -0.100 0.698 14.080) 14.098 13.295 ( 1.087 2.646 33.732) 33.853 13.864 ( -6.445 -4.942 103.320) 103.638 15.177 ( -0.138 0.226 -17.388) 17.390 17.330 ( -0.939 -1.219 2.457) 2.899 17.999 ( 0.472 12.500 -31.829) 34.199 18.550 ( 1.057 6.143 -8.100) 10.220 20.036 ( -0.647 -4.448 -11.059) 11.938 23.231 ( -2.238 -16.523 4.807) 17.353 24.398 ( 2.179 -3.530 -12.224) 12.908 ======================= Grid point 199 (73/125) ======================= q-point: (-0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 0.000 12.465 -1.116) 12.515 2.086 ( -0.000 -4.179 1.082) 4.317 2.185 ( -0.000 -18.720 -1.620) 18.789 2.698 ( 0.000 10.468 -2.415) 10.743 2.881 ( 0.000 0.195 8.560) 8.562 3.008 ( -0.000 -0.750 -9.354) 9.384 3.254 ( 0.000 6.988 7.402) 10.179 3.751 ( 0.000 3.467 -8.280) 8.977 3.798 ( 0.000 4.886 0.400) 4.902 4.185 ( 0.000 6.913 -3.604) 7.796 4.393 ( -0.000 -10.108 -0.845) 10.143 4.554 ( 0.000 5.905 7.864) 9.834 4.579 ( -0.000 -2.560 6.101) 6.616 4.777 ( -0.000 -5.774 -3.579) 6.793 5.028 ( -0.000 -0.539 3.308) 3.352 5.234 ( -0.000 -9.543 22.525) 24.463 5.438 ( -0.000 -1.314 26.488) 26.520 5.843 ( 0.000 0.787 11.869) 11.895 6.038 ( 0.000 10.777 15.241) 18.667 6.518 ( 0.000 0.256 3.566) 3.575 7.547 ( -0.000 -1.487 13.617) 13.698 7.642 ( -0.000 -1.560 -14.159) 14.245 9.508 ( -0.000 -8.553 -17.863) 19.805 10.427 ( 0.000 7.460 25.197) 26.279 11.076 ( 0.000 2.855 -30.404) 30.537 12.578 ( 0.000 3.287 -6.388) 7.184 12.849 ( 0.000 0.947 13.629) 13.662 13.251 ( 0.000 3.406 32.639) 32.816 13.965 ( -0.000 -11.921 103.993) 104.674 15.171 ( 0.000 0.321 -17.143) 17.146 17.351 ( -0.000 -1.956 2.927) 3.520 17.780 ( 0.000 15.345 -30.423) 34.074 18.465 ( 0.000 5.084 -6.419) 8.188 20.099 ( -0.000 -3.803 -10.854) 11.501 23.482 ( -0.000 -16.213 1.249) 16.261 24.473 ( -0.000 -3.929 -13.617) 14.173 ======================= Grid point 206 (74/125) ======================= q-point: ( 0.44 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( 1.770 0.000 19.984) 20.062 1.957 ( -6.377 -0.000 23.836) 24.674 2.064 ( -2.969 -0.000 9.940) 10.375 2.554 ( 10.446 0.000 6.953) 12.548 3.112 ( -2.696 -0.000 -1.395) 3.035 3.262 ( 2.669 0.000 -1.603) 3.113 3.308 ( -1.662 -0.000 0.819) 1.853 3.644 ( -8.801 -0.000 5.940) 10.618 3.883 ( 3.736 0.000 -3.226) 4.936 3.917 ( -2.427 -0.000 -12.043) 12.285 4.377 ( -1.670 -0.000 -2.266) 2.815 4.445 ( 12.699 0.000 -5.145) 13.702 4.647 ( -0.148 -0.000 12.190) 12.191 4.754 ( 3.418 0.000 -6.439) 7.290 5.036 ( 0.085 0.000 -1.393) 1.396 5.090 ( -5.754 -0.000 16.477) 17.453 5.462 ( -0.363 -0.000 31.684) 31.686 5.889 ( -1.237 -0.000 16.977) 17.022 6.401 ( 1.655 0.000 5.732) 5.967 6.588 ( -1.528 -0.000 6.028) 6.219 7.490 ( 0.286 0.000 -21.982) 21.983 7.521 ( -2.835 -0.000 6.998) 7.551 9.197 ( -1.246 -0.000 -17.304) 17.348 10.705 ( 1.420 0.000 34.228) 34.257 11.164 ( -0.096 -0.000 -34.318) 34.318 12.696 ( 1.046 0.000 -3.231) 3.397 12.876 ( 0.336 0.000 14.638) 14.642 13.340 ( 1.304 0.000 34.858) 34.883 13.804 ( -8.857 -0.000 103.176) 103.555 15.180 ( -0.087 -0.000 -17.690) 17.691 17.310 ( -1.336 -0.000 2.030) 2.430 18.213 ( -0.917 -0.000 -33.088) 33.101 18.690 ( -0.519 -0.000 -11.710) 11.721 19.939 ( -0.075 -0.000 -10.601) 10.601 22.915 ( 0.114 0.000 9.888) 9.889 24.334 ( 1.651 0.000 -11.409) 11.528 ======================= Grid point 207 (75/125) ======================= q-point: (-0.44 -0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( 0.000 0.646 22.671) 22.680 1.880 ( 0.000 1.870 12.274) 12.415 2.046 ( 0.000 0.438 9.794) 9.804 2.718 ( -0.000 -10.688 3.385) 11.212 3.009 ( 0.000 8.002 1.559) 8.153 3.078 ( 0.000 12.242 -3.551) 12.746 3.544 ( 0.000 5.735 5.416) 7.889 3.547 ( -0.000 -16.406 5.528) 17.312 3.862 ( 0.000 3.297 -10.021) 10.549 4.001 ( -0.000 -9.833 -3.857) 10.562 4.345 ( 0.000 2.119 -3.185) 3.825 4.584 ( -0.000 -5.885 -6.602) 8.844 4.621 ( 0.000 2.815 5.067) 5.796 4.759 ( 0.000 2.849 -0.324) 2.867 5.007 ( 0.000 1.466 0.523) 1.556 5.069 ( -0.000 -1.294 14.569) 14.626 5.450 ( 0.000 1.134 31.174) 31.195 5.876 ( 0.000 0.705 19.043) 19.056 6.353 ( 0.000 6.781 6.889) 9.666 6.562 ( 0.000 1.877 5.568) 5.876 7.510 ( -0.000 -0.746 9.964) 9.992 7.529 ( -0.000 -3.900 -22.145) 22.486 9.240 ( -0.000 -5.994 -17.386) 18.390 10.667 ( 0.000 5.432 32.957) 33.401 11.153 ( 0.000 1.373 -33.459) 33.487 12.683 ( 0.000 2.307 -3.532) 4.218 12.874 ( 0.000 0.477 13.923) 13.931 13.335 ( 0.000 1.522 34.884) 34.918 13.771 ( -0.000 -2.016 103.651) 103.671 15.179 ( 0.000 0.130 -17.714) 17.715 17.308 ( -0.000 -0.688 1.946) 2.065 18.153 ( 0.000 6.724 -33.616) 34.282 18.646 ( 0.000 4.704 -10.100) 11.142 19.968 ( -0.000 -3.388 -10.911) 11.425 23.002 ( -0.000 -10.315 8.562) 13.406 24.362 ( -0.000 -2.196 -11.703) 11.907 ======================= Grid point 249 (76/125) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( 0.000 0.000 9.342) 9.342 1.721 ( 0.000 0.000 -21.938) 21.938 1.974 ( 0.000 0.000 26.729) 26.729 2.648 ( 0.000 0.000 7.923) 7.923 2.874 ( 0.000 0.000 3.028) 3.028 3.318 ( 0.000 0.000 22.359) 22.359 3.381 ( 0.000 0.000 -6.226) 6.226 3.846 ( 0.000 0.000 -5.093) 5.093 3.987 ( 0.000 0.000 -4.385) 4.385 4.130 ( 0.000 0.000 4.029) 4.029 4.189 ( 0.000 0.000 -4.173) 4.173 4.297 ( 0.000 0.000 -0.627) 0.627 4.805 ( 0.000 0.000 9.309) 9.309 5.157 ( 0.000 0.000 -2.185) 2.185 5.322 ( 0.000 0.000 3.204) 3.204 5.504 ( 0.000 0.000 -1.894) 1.894 6.054 ( 0.000 0.000 23.665) 23.665 6.225 ( 0.000 0.000 1.968) 1.968 6.442 ( 0.000 0.000 41.791) 41.791 6.600 ( 0.000 0.000 2.048) 2.048 7.103 ( 0.000 0.000 1.891) 1.891 7.994 ( 0.000 0.000 11.473) 11.473 9.087 ( 0.000 0.000 -20.205) 20.205 10.344 ( 0.000 0.000 -46.065) 46.065 11.068 ( 0.000 0.000 28.169) 28.169 12.386 ( 0.000 0.000 -13.707) 13.707 13.128 ( 0.000 0.000 18.366) 18.366 13.627 ( 0.000 0.000 27.313) 27.313 14.808 ( 0.000 0.000 -14.917) 14.917 16.109 ( 0.000 0.000 -30.882) 30.882 17.675 ( 0.000 0.000 8.395) 8.395 18.196 ( 0.000 0.000 -7.139) 7.139 19.487 ( 0.000 0.000 6.035) 6.035 19.884 ( 0.000 0.000 -5.994) 5.994 23.099 ( 0.000 0.000 11.022) 11.022 23.858 ( 0.000 0.000 -11.271) 11.271 ======================= Grid point 250 (77/125) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 20.819 -3.838 5.076) 21.770 1.733 ( 4.521 1.230 -18.864) 19.437 1.845 ( 3.684 13.535 24.473) 28.208 2.699 ( -5.453 -6.824 3.178) 9.295 2.945 ( 4.983 -1.866 2.523) 5.889 3.221 ( -3.411 5.404 21.269) 22.208 3.402 ( 1.202 -1.738 -5.531) 5.921 3.812 ( -3.322 0.573 -0.803) 3.465 4.044 ( -0.615 1.035 -1.906) 2.255 4.072 ( 3.707 4.119 1.845) 5.841 4.209 ( -2.390 -5.819 -7.106) 9.491 4.253 ( 4.622 8.289 -0.504) 9.504 4.838 ( -0.174 -3.132 8.075) 8.663 5.147 ( -1.109 1.208 -1.671) 2.341 5.250 ( -7.575 2.038 3.918) 8.769 5.482 ( -8.540 -1.561 -3.349) 9.305 6.064 ( 3.232 0.968 22.339) 22.592 6.202 ( 1.586 1.959 5.393) 5.954 6.475 ( 0.884 -2.480 44.629) 44.707 6.609 ( 2.843 0.952 1.862) 3.529 7.167 ( 0.236 -7.051 0.130) 7.056 7.987 ( -0.413 0.400 12.722) 12.735 9.113 ( -1.531 -4.196 -20.172) 20.661 10.338 ( 0.155 0.872 -45.600) 45.609 11.033 ( 1.204 4.998 28.059) 28.526 12.370 ( 0.483 2.336 -14.025) 14.226 13.135 ( 1.126 -0.049 18.361) 18.395 13.648 ( 2.152 -1.002 27.247) 27.350 14.815 ( 0.832 -0.206 -14.323) 14.349 16.136 ( -1.677 -4.414 -28.269) 28.660 17.650 ( -1.108 2.411 8.578) 8.979 18.188 ( -0.557 1.405 -7.366) 7.520 18.957 ( -10.267 45.506 25.112) 52.979 19.932 ( -2.837 -2.894 -10.846) 11.578 23.313 ( -1.410 -22.742 2.653) 22.940 23.874 ( 0.943 -1.218 -10.546) 10.657 ======================= Grid point 251 (78/125) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( 14.895 3.156 4.426) 15.856 1.735 ( 6.520 5.826 -1.581) 8.885 1.871 ( 16.764 -5.462 -0.412) 17.636 2.683 ( -2.130 4.499 -5.895) 7.716 2.888 ( -8.139 3.773 16.589) 18.859 3.228 ( 4.056 -2.492 2.096) 5.202 3.447 ( 0.280 -1.814 -3.369) 3.837 3.757 ( -4.087 0.768 4.432) 6.078 3.949 ( 0.629 5.255 -3.220) 6.195 4.076 ( 5.522 5.571 -0.979) 7.905 4.165 ( 7.570 8.905 2.184) 11.890 4.347 ( -2.434 -12.795 -7.659) 15.110 4.874 ( -0.344 -1.891 6.697) 6.968 5.056 ( -11.457 1.120 2.584) 11.798 5.149 ( -2.151 4.084 0.870) 4.697 5.344 ( -14.919 1.791 -3.013) 15.326 6.093 ( 3.690 0.467 18.281) 18.656 6.232 ( 2.590 -2.412 13.019) 13.491 6.514 ( 0.549 -0.923 43.450) 43.463 6.635 ( 3.810 0.426 4.591) 5.981 7.299 ( 0.534 -8.174 -0.309) 8.197 7.980 ( -0.339 -0.234 15.490) 15.496 9.176 ( -2.017 -5.874 -20.084) 21.023 10.321 ( 0.157 1.401 -44.444) 44.466 10.948 ( 2.133 7.526 27.628) 28.714 12.328 ( 0.814 3.572 -14.912) 15.356 13.152 ( 1.646 0.027 18.180) 18.254 13.699 ( 3.169 -1.499 27.086) 27.312 14.831 ( 1.265 -0.286 -12.729) 12.794 16.204 ( -4.078 -7.779 -17.919) 19.956 17.562 ( -1.603 8.898 12.172) 15.163 17.929 ( -10.131 32.575 20.807) 39.958 18.323 ( 0.266 10.243 11.204) 15.183 19.912 ( -3.506 0.093 -15.833) 16.217 23.642 ( -4.875 -20.570 -5.590) 21.867 23.912 ( 1.561 -1.665 -8.993) 9.278 ======================= Grid point 252 (79/125) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( 8.895 -0.888 2.613) 9.313 1.747 ( 5.240 1.418 -6.580) 8.530 2.210 ( 17.440 -7.539 -7.260) 20.340 2.555 ( 1.279 8.232 -11.309) 14.046 2.725 ( -7.412 4.367 15.739) 17.937 3.259 ( -5.695 1.108 0.836) 5.861 3.453 ( 2.173 -0.734 -3.875) 4.503 3.773 ( 4.215 -3.220 -2.329) 5.793 3.878 ( -1.425 4.108 0.560) 4.384 3.992 ( 7.689 11.499 -0.056) 13.832 4.199 ( 5.709 -1.091 3.805) 6.947 4.508 ( -2.302 -9.587 -5.062) 11.083 4.899 ( -3.588 1.035 2.854) 4.700 4.921 ( -6.826 -2.232 5.012) 8.758 5.008 ( -9.669 5.089 0.867) 10.961 5.176 ( -7.401 1.559 -1.339) 7.681 6.119 ( 1.824 0.394 14.640) 14.758 6.307 ( 1.879 -3.262 20.343) 20.688 6.513 ( -0.057 1.186 37.682) 37.701 6.670 ( 2.629 -0.042 9.347) 9.710 7.422 ( 0.718 -5.986 1.640) 6.248 7.988 ( -0.012 -0.837 17.959) 17.979 9.245 ( -1.443 -4.854 -19.994) 20.625 10.299 ( 0.029 1.349 -43.170) 43.191 10.856 ( 2.142 6.465 26.865) 27.715 12.282 ( 0.771 3.151 -16.038) 16.363 13.168 ( 1.369 0.122 17.704) 17.757 13.756 ( 2.663 -1.280 26.845) 27.007 14.849 ( 1.120 -0.236 -10.721) 10.782 16.280 ( -7.011 -9.083 10.308) 15.424 17.146 ( -1.471 31.495 25.178) 40.349 17.580 ( -3.561 4.338 7.481) 9.352 18.288 ( 1.370 0.695 -0.823) 1.743 19.872 ( -2.561 0.412 -19.911) 20.079 23.839 ( -4.933 -11.341 -7.625) 14.529 23.955 ( 1.113 -1.711 -7.725) 7.990 ======================= Grid point 253 (80/125) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 4.587 -2.519 -2.055) 5.622 1.788 ( 1.918 -0.722 -8.913) 9.146 2.341 ( -1.168 -1.432 -6.736) 6.984 2.431 ( 0.133 8.363 -6.417) 10.542 2.786 ( 12.774 -7.093 0.331) 14.614 3.073 ( -12.298 6.781 -1.180) 14.093 3.549 ( 3.613 -4.421 -2.405) 6.196 3.770 ( -2.555 5.226 5.122) 7.751 3.881 ( -0.694 -4.362 -8.558) 9.631 3.943 ( 9.420 6.049 2.414) 11.453 4.260 ( 1.185 -1.295 7.404) 7.609 4.594 ( 0.812 -2.624 -2.210) 3.525 4.761 ( -10.248 2.406 4.118) 11.303 4.824 ( -3.412 1.374 1.341) 3.915 5.008 ( 1.298 -2.742 -0.739) 3.122 5.113 ( -1.964 0.560 -1.213) 2.375 6.122 ( 0.289 0.398 13.215) 13.225 6.367 ( 0.823 -2.035 22.403) 22.510 6.485 ( -0.315 1.558 39.713) 39.745 6.688 ( 0.874 0.116 9.639) 9.679 7.495 ( 0.349 -2.231 3.228) 3.939 8.000 ( 0.060 -0.456 19.189) 19.194 9.290 ( -0.480 -1.886 -19.950) 20.044 10.283 ( -0.024 0.582 -42.359) 42.363 10.800 ( 0.911 2.507 26.209) 26.344 12.251 ( 0.315 1.250 -16.826) 16.875 13.177 ( 0.521 0.072 17.247) 17.255 13.791 ( 1.017 -0.493 26.624) 26.648 14.861 ( 0.449 -0.092 -9.285) 9.297 16.328 ( -5.365 -5.248 66.910) 67.330 16.787 ( 2.302 13.045 -22.391) 26.015 17.517 ( -1.151 1.109 5.546) 5.771 18.294 ( 0.537 0.063 -2.065) 2.134 19.848 ( -0.911 0.138 -22.103) 22.122 23.914 ( -1.602 -3.149 -7.491) 8.282 23.984 ( -0.013 -0.998 -7.147) 7.217 ======================= Grid point 259 (81/125) ======================= q-point: ( 0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( 33.408 0.000 0.195) 33.408 1.811 ( 7.530 0.000 -17.064) 18.652 2.043 ( 6.239 0.000 24.120) 24.914 2.537 ( -5.929 -0.000 11.290) 12.753 3.006 ( 7.357 0.000 3.770) 8.267 3.216 ( -6.777 -0.000 21.185) 22.242 3.399 ( 0.928 0.000 -4.703) 4.794 3.811 ( -2.592 -0.000 -4.601) 5.281 3.953 ( -3.214 -0.000 -4.497) 5.528 4.109 ( -5.549 -0.000 -4.609) 7.214 4.215 ( 6.111 0.000 3.252) 6.922 4.380 ( 5.427 0.000 -0.098) 5.428 4.806 ( -0.456 -0.000 8.216) 8.229 5.073 ( -14.707 -0.000 1.550) 14.788 5.216 ( 0.442 0.000 -2.118) 2.164 5.356 ( -11.912 -0.000 -3.555) 12.431 6.107 ( 2.922 0.000 23.223) 23.406 6.253 ( 2.568 0.000 2.206) 3.385 6.468 ( 2.276 0.000 41.976) 42.037 6.658 ( 4.030 0.000 2.569) 4.779 7.109 ( 0.549 0.000 2.090) 2.161 7.981 ( -1.288 -0.000 11.593) 11.664 9.050 ( -3.071 -0.000 -19.806) 20.043 10.347 ( 0.268 0.000 -45.983) 45.984 11.095 ( 2.429 0.000 28.031) 28.136 12.398 ( 1.164 0.000 -13.187) 13.239 13.153 ( 1.962 0.000 18.507) 18.610 13.676 ( 4.251 0.000 26.790) 27.126 14.827 ( 1.526 0.000 -13.399) 13.486 16.075 ( -3.004 -0.000 -19.586) 19.815 17.648 ( -2.466 -0.000 8.284) 8.643 18.189 ( -1.168 -0.000 -7.786) 7.873 19.175 ( -24.988 -0.000 9.328) 26.672 19.840 ( -3.651 -0.000 -8.376) 9.137 23.105 ( 0.505 0.000 11.300) 11.311 23.880 ( 1.972 0.000 -11.536) 11.703 ======================= Grid point 260 (82/125) ======================= q-point: ( 0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( 21.047 11.346 1.653) 23.967 1.918 ( 10.553 2.430 -11.356) 15.692 2.044 ( 17.203 3.010 13.665) 22.175 2.595 ( -2.146 -8.493 9.328) 12.796 2.943 ( -7.072 9.826 18.149) 21.816 3.226 ( 5.616 -3.466 3.161) 7.318 3.419 ( -0.511 -1.783 -3.158) 3.662 3.713 ( -5.097 3.507 0.495) 6.206 4.013 ( -1.233 -1.949 -5.579) 6.037 4.076 ( -5.787 -8.591 -8.051) 13.119 4.245 ( 7.470 3.591 3.930) 9.173 4.379 ( 4.247 6.175 1.871) 7.724 4.809 ( -4.675 -2.221 7.294) 8.944 4.900 ( -14.001 -0.917 1.563) 14.117 5.187 ( -9.927 3.653 -4.213) 11.386 5.231 ( -2.244 0.753 -4.631) 5.201 6.126 ( 1.322 0.454 21.452) 21.497 6.265 ( 3.753 1.580 6.772) 7.902 6.515 ( 2.687 -1.326 43.757) 43.859 6.687 ( 3.119 1.213 2.266) 4.041 7.179 ( 0.899 -7.009 0.874) 7.121 7.964 ( -1.854 -0.305 12.934) 13.069 9.053 ( -3.620 -4.902 -19.515) 20.444 10.343 ( 0.235 0.941 -45.423) 45.434 11.085 ( 3.452 5.166 27.864) 28.548 12.394 ( 1.794 2.575 -13.144) 13.513 13.174 ( 1.993 0.181 18.385) 18.494 13.733 ( 5.219 -0.261 26.306) 26.820 14.845 ( 1.733 -0.019 -11.534) 11.664 16.064 ( -4.751 -3.667 -4.810) 7.691 17.600 ( -3.363 1.778 8.060) 8.913 18.117 ( -8.476 7.422 -5.804) 12.673 18.618 ( -15.135 26.726 15.856) 34.565 19.834 ( -5.290 -3.238 -13.717) 15.054 23.268 ( -2.193 -17.494 6.260) 18.709 23.916 ( 2.854 -1.127 -11.273) 11.683 ======================= Grid point 261 (83/125) ======================= q-point: ( 0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 11.059 10.999 9.022) 18.019 1.912 ( 8.762 7.536 -4.754) 12.497 2.340 ( 19.128 -3.204 -5.998) 20.300 2.663 ( 1.373 2.814 -1.795) 3.609 2.712 ( -4.969 3.698 19.413) 20.377 3.238 ( -5.172 4.131 1.877) 6.880 3.441 ( -0.367 -1.636 -5.454) 5.706 3.685 ( -1.662 -4.643 6.206) 7.926 3.955 ( 0.033 4.716 -12.388) 13.255 4.193 ( 0.166 -2.486 -2.750) 3.711 4.300 ( 4.181 0.616 4.618) 6.260 4.339 ( 3.983 -2.204 -0.057) 4.553 4.722 ( -12.880 -3.385 4.150) 13.949 4.874 ( -2.414 -3.400 3.917) 5.721 4.962 ( -11.473 6.994 -1.755) 13.551 5.203 ( 1.134 2.839 -4.108) 5.120 6.125 ( -0.741 0.184 18.380) 18.396 6.298 ( 2.936 -0.690 13.897) 14.221 6.544 ( 1.985 1.217 41.835) 41.900 6.696 ( 1.307 0.598 4.667) 4.883 7.318 ( 1.131 -8.118 0.637) 8.221 7.958 ( -1.894 -1.547 15.589) 15.780 9.117 ( -3.207 -7.360 -19.442) 21.034 10.324 ( 0.088 1.558 -44.124) 44.151 11.014 ( 3.760 8.362 27.397) 28.890 12.359 ( 2.007 4.281 -13.969) 14.748 13.187 ( 1.193 0.468 17.843) 17.888 13.790 ( 4.730 0.262 25.972) 26.401 14.862 ( 1.354 0.144 -9.444) 9.541 16.079 ( -6.932 -6.175 19.787) 21.856 17.504 ( -3.906 10.145 8.396) 13.735 17.655 ( -12.688 20.377 5.221) 24.565 18.346 ( 1.519 4.948 0.935) 5.260 19.820 ( -4.322 -2.081 -18.781) 19.384 23.516 ( -5.686 -17.691 0.922) 18.606 23.974 ( 3.794 -1.421 -10.615) 11.362 ======================= Grid point 262 (84/125) ======================= q-point: ( 0.44 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 8.015 3.730 2.823) 9.280 1.892 ( 7.248 6.031 -5.897) 11.121 2.332 ( -5.766 6.014 4.147) 9.307 2.595 ( 2.855 7.609 -8.187) 11.536 2.834 ( 13.779 -5.577 -1.379) 14.929 3.055 ( -9.766 6.525 1.970) 11.909 3.480 ( -2.467 -5.839 -1.486) 6.511 3.692 ( -6.758 0.792 5.347) 8.654 3.883 ( -1.812 3.224 -12.190) 12.738 4.164 ( 3.971 7.604 -1.611) 8.729 4.314 ( 3.346 0.804 4.431) 5.610 4.505 ( 2.390 -10.654 -1.136) 10.978 4.694 ( -4.922 0.555 3.249) 5.923 4.737 ( -6.715 -1.235 1.432) 6.976 4.951 ( 1.830 -3.227 4.518) 5.846 5.183 ( 3.485 1.949 -3.507) 5.314 6.104 ( -2.762 -0.211 16.126) 16.362 6.340 ( 0.953 -1.664 19.105) 19.201 6.525 ( 0.925 2.813 37.489) 37.606 6.694 ( -0.502 0.371 9.647) 9.667 7.442 ( 1.069 -5.522 2.056) 5.989 7.968 ( -1.818 -2.174 18.027) 18.248 9.202 ( -2.378 -6.747 -19.565) 20.832 10.299 ( -0.063 1.464 -42.679) 42.704 10.914 ( 2.952 8.397 26.537) 27.990 12.309 ( 1.638 4.324 -15.310) 15.993 13.185 ( 0.064 0.580 17.262) 17.272 13.822 ( 3.140 1.293 25.953) 26.174 14.869 ( 0.559 0.390 -8.201) 8.230 16.115 ( -7.330 -8.931 52.501) 53.757 17.103 ( -2.103 21.919 -10.832) 24.540 17.505 ( -3.073 0.388 5.156) 6.015 18.318 ( 1.262 1.793 -2.163) 3.080 19.815 ( -2.388 -1.983 -21.758) 21.978 23.691 ( -6.529 -12.948 -1.329) 14.562 24.040 ( 4.917 -0.628 -10.498) 11.610 ======================= Grid point 263 (85/125) ======================= q-point: (-0.44 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( -1.350 6.974 -0.806) 7.149 1.871 ( 5.188 5.898 -8.578) 11.631 2.259 ( -2.952 -4.882 -5.138) 7.678 2.499 ( 3.445 9.122 -8.068) 12.656 2.776 ( -10.377 7.412 1.164) 12.805 3.112 ( 12.559 -5.543 -2.873) 14.025 3.538 ( -15.177 -1.890 7.424) 17.001 3.570 ( -1.213 -4.238 -1.791) 4.758 3.813 ( -6.053 -0.412 -6.085) 8.592 4.013 ( -3.124 9.843 -6.270) 12.082 4.358 ( 6.982 3.998 8.845) 11.957 4.609 ( -0.884 0.317 1.454) 1.731 4.713 ( 4.771 -9.891 -0.386) 10.989 4.825 ( 2.629 -6.165 1.826) 6.946 4.986 ( 1.197 1.130 1.609) 2.302 5.233 ( 8.963 1.040 -2.433) 9.346 6.080 ( -3.920 -1.495 15.162) 15.732 6.363 ( -1.037 -0.876 20.799) 20.843 6.494 ( 1.136 1.674 37.143) 37.198 6.673 ( -2.174 0.359 12.285) 12.481 7.506 ( 0.579 -1.174 3.273) 3.525 7.981 ( -1.663 -1.636 19.543) 19.681 9.267 ( -1.436 -3.879 -19.795) 20.223 10.281 ( -0.101 0.496 -41.884) 41.887 10.826 ( 1.314 5.261 25.843) 26.406 12.266 ( 0.904 2.599 -16.520) 16.748 13.172 ( -0.808 0.463 17.151) 17.176 13.816 ( 1.132 2.397 26.370) 26.502 14.862 ( -0.271 0.598 -8.607) 8.632 16.233 ( -3.175 -14.047 77.891) 79.211 16.821 ( 0.966 13.706 -32.926) 35.678 17.496 ( -0.702 -1.746 5.374) 5.694 18.302 ( 0.181 1.304 -2.295) 2.646 19.831 ( -0.555 -2.106 -22.510) 22.615 23.792 ( -5.317 -8.233 -2.417) 10.094 24.095 ( 5.829 1.511 -11.248) 12.758 ======================= Grid point 264 (86/125) ======================= q-point: (-0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( -6.776 6.973 -0.173) 9.725 1.800 ( 3.098 8.609 -9.081) 12.891 2.223 ( -11.453 14.211 -11.080) 21.352 2.396 ( -2.256 -8.265 -14.775) 17.079 2.739 ( 8.477 -4.458 13.823) 16.817 3.303 ( 5.060 -1.950 -0.309) 5.431 3.397 ( -8.069 -2.392 2.917) 8.907 3.620 ( -8.305 -5.347 -0.155) 9.878 3.798 ( -4.931 -6.425 -2.440) 8.458 3.863 ( -2.052 3.019 -7.218) 8.088 4.296 ( 3.255 10.357 6.712) 12.764 4.635 ( 3.815 1.353 -1.275) 4.244 4.852 ( -3.217 -2.916 -0.133) 4.344 4.934 ( 0.307 -6.534 -1.108) 6.634 5.030 ( 9.299 -1.918 6.057) 11.263 5.336 ( 14.284 1.686 -0.607) 14.396 6.059 ( -5.341 -1.909 15.185) 16.210 6.336 ( -1.482 2.087 23.417) 23.556 6.507 ( 1.651 -0.740 30.353) 30.406 6.639 ( -3.280 0.106 15.684) 16.024 7.491 ( -0.040 3.244 3.245) 4.589 7.983 ( -1.164 -0.670 19.832) 19.878 9.289 ( -0.377 -0.135 -20.056) 20.060 10.282 ( -0.044 -0.680 -42.251) 42.257 10.788 ( -0.246 0.002 26.127) 26.128 12.251 ( 0.210 -0.090 -16.975) 16.977 13.155 ( -1.137 0.310 17.512) 17.552 13.774 ( -0.525 3.130 27.000) 27.186 14.846 ( -0.712 0.675 -10.414) 10.460 16.461 ( 6.453 -4.474 49.253) 49.875 16.716 ( -4.203 -10.427 -7.513) 13.522 17.542 ( 1.015 -3.764 6.753) 7.797 18.281 ( -0.551 0.986 -1.657) 2.005 19.868 ( 0.744 -2.238 -21.264) 21.394 23.842 ( -3.263 -4.066 -3.743) 6.418 24.106 ( 5.672 5.615 -12.506) 14.836 ======================= Grid point 265 (87/125) ======================= q-point: (-0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( -5.813 4.716 0.393) 7.496 1.695 ( 1.316 6.652 -3.518) 7.639 1.845 ( -12.287 11.425 -5.197) 17.564 2.547 ( 0.092 -10.944 -10.685) 15.295 2.955 ( 11.750 -4.612 11.377) 16.993 3.203 ( -8.884 2.805 1.521) 9.439 3.470 ( 1.029 0.201 -0.639) 1.228 3.628 ( -3.613 -10.033 2.414) 10.933 3.893 ( -1.564 -9.047 -7.330) 11.748 3.899 ( -1.043 -8.143 -1.012) 8.272 4.120 ( -1.137 12.246 5.083) 13.307 4.564 ( 1.927 11.307 -7.052) 13.465 4.858 ( -1.753 -3.258 4.682) 5.968 5.043 ( 0.521 -5.452 -0.606) 5.511 5.164 ( 6.120 -3.217 6.857) 9.737 5.484 ( 12.404 -0.176 -1.514) 12.498 6.021 ( -5.678 -1.638 18.196) 19.131 6.275 ( -0.772 4.081 19.702) 20.135 6.533 ( 1.776 0.217 27.954) 28.011 6.594 ( -3.636 0.613 17.188) 17.579 7.412 ( -0.224 6.291 1.529) 6.478 7.980 ( -0.399 -0.194 18.484) 18.490 9.265 ( 0.385 3.183 -20.285) 20.536 10.298 ( -0.035 -1.250 -43.348) 43.366 10.824 ( -0.728 -5.166 27.089) 27.587 12.273 ( -0.125 -2.437 -16.453) 16.633 13.139 ( -0.852 0.234 17.949) 17.970 13.713 ( -1.038 3.111 27.427) 27.623 14.828 ( -0.593 0.619 -12.549) 12.578 16.396 ( 2.925 11.193 -27.966) 30.265 17.164 ( 0.308 -38.390 54.360) 66.550 17.645 ( 1.791 -8.732 12.759) 15.564 18.264 ( -0.615 0.007 0.204) 0.648 19.915 ( 1.120 -2.279 -18.337) 18.512 23.847 ( -1.052 1.039 -6.119) 6.295 24.024 ( 3.319 11.104 -12.628) 17.140 ======================= Grid point 266 (88/125) ======================= q-point: (-0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 0.000 7.855 3.071) 8.434 1.657 ( -0.000 -4.388 18.300) 18.819 1.695 ( 0.000 0.753 -15.907) 15.925 2.715 ( -0.000 -8.117 -6.608) 10.466 3.002 ( 0.000 6.857 0.955) 6.923 3.160 ( -0.000 -4.132 18.688) 19.140 3.431 ( 0.000 2.803 -5.211) 5.917 3.832 ( -0.000 -14.584 5.082) 15.444 3.908 ( 0.000 8.987 3.990) 9.833 4.035 ( -0.000 -5.914 -4.778) 7.603 4.057 ( -0.000 -11.668 -1.641) 11.783 4.377 ( 0.000 12.258 -9.082) 15.256 4.877 ( 0.000 0.705 6.549) 6.586 5.114 ( -0.000 -3.301 -0.738) 3.382 5.253 ( -0.000 -3.062 5.921) 6.666 5.557 ( 0.000 0.525 -4.033) 4.067 6.016 ( -0.000 -2.017 21.554) 21.649 6.203 ( 0.000 3.317 11.932) 12.384 6.517 ( 0.000 3.011 47.092) 47.188 6.574 ( -0.000 -1.234 0.714) 1.425 7.294 ( 0.000 8.146 -0.560) 8.165 7.982 ( -0.000 -0.342 15.648) 15.652 9.199 ( 0.000 5.093 -20.362) 20.989 10.319 ( -0.000 -1.309 -44.556) 44.575 10.924 ( -0.000 -7.232 27.809) 28.734 12.320 ( -0.000 -3.323 -15.280) 15.637 13.131 ( 0.000 0.168 18.201) 18.202 13.662 ( 0.000 2.266 27.488) 27.581 14.815 ( 0.000 0.454 -14.013) 14.021 16.250 ( 0.000 8.544 -32.417) 33.524 17.579 ( -0.000 -9.251 13.050) 15.996 18.043 ( -0.000 -31.200 18.650) 36.349 18.328 ( -0.000 -18.353 22.738) 29.220 19.954 ( -0.000 -1.306 -14.516) 14.574 23.698 ( 0.000 19.832 -8.354) 21.520 23.901 ( 0.000 3.548 -9.106) 9.773 ======================= Grid point 269 (89/125) ======================= q-point: ( 0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 18.687 0.000 -6.559) 19.804 2.012 ( 9.710 0.000 -7.514) 12.278 2.240 ( 11.201 0.000 19.084) 22.128 2.522 ( 8.556 0.000 13.515) 15.996 2.943 ( -9.529 -0.000 24.079) 25.896 3.290 ( 11.142 0.000 0.259) 11.145 3.372 ( -4.238 -0.000 -0.525) 4.271 3.746 ( -3.380 -0.000 -5.018) 6.050 3.830 ( -8.493 -0.000 -3.044) 9.022 4.000 ( -2.786 -0.000 -6.741) 7.294 4.378 ( 7.834 0.000 1.561) 7.988 4.410 ( -6.004 -0.000 4.020) 7.226 4.731 ( -8.213 -0.000 4.945) 9.586 4.750 ( -7.947 -0.000 -1.201) 8.038 5.090 ( -8.923 -0.000 -4.750) 10.109 5.267 ( 2.175 0.000 -6.755) 7.097 6.134 ( -0.641 -0.000 24.017) 24.025 6.331 ( 4.277 0.000 2.983) 5.215 6.537 ( 3.704 0.000 41.194) 41.360 6.729 ( 1.747 0.000 2.963) 3.440 7.130 ( 1.399 0.000 3.254) 3.542 7.932 ( -3.217 -0.000 12.326) 12.739 8.967 ( -4.153 -0.000 -18.934) 19.384 10.353 ( 0.163 0.000 -45.731) 45.732 11.172 ( 4.443 0.000 28.024) 28.374 12.441 ( 2.669 0.000 -11.951) 12.246 13.197 ( 1.569 0.000 18.303) 18.370 13.796 ( 6.140 0.000 25.351) 26.084 14.865 ( 1.749 0.000 -9.321) 9.484 15.980 ( -5.532 -0.000 12.566) 13.730 17.567 ( -4.718 -0.000 7.444) 8.814 18.064 ( -13.274 -0.000 -8.894) 15.978 18.641 ( -16.532 -0.000 3.450) 16.888 19.744 ( -4.558 -0.000 -13.821) 14.553 23.120 ( 0.890 0.000 12.013) 12.046 23.941 ( 3.375 0.000 -12.427) 12.877 ======================= Grid point 270 (90/125) ======================= q-point: ( 0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( 9.245 16.170 8.998) 20.686 2.119 ( 7.166 5.336 -1.666) 9.088 2.444 ( 10.980 -5.613 3.339) 12.776 2.696 ( 5.874 -3.276 12.944) 14.587 2.768 ( -0.394 7.583 12.464) 14.595 3.265 ( -5.142 5.251 2.907) 7.903 3.428 ( 0.218 1.360 -8.817) 8.924 3.638 ( 2.279 -1.517 5.748) 6.367 3.912 ( -8.602 -11.399 -7.896) 16.318 4.008 ( 0.039 -4.037 -4.695) 6.192 4.326 ( -6.244 -1.432 2.356) 6.825 4.424 ( 6.865 3.992 1.086) 8.015 4.578 ( -11.850 1.092 0.594) 11.915 4.774 ( -1.269 -4.751 0.486) 4.942 4.985 ( -3.243 4.711 -1.659) 5.955 5.259 ( 0.354 2.450 -6.701) 7.143 6.114 ( -2.110 0.501 23.256) 23.357 6.354 ( 4.176 2.352 6.899) 8.400 6.585 ( 3.403 -0.111 41.251) 41.392 6.720 ( -0.265 1.646 2.380) 2.905 7.207 ( 1.605 -6.751 2.804) 7.484 7.903 ( -3.625 -1.314 13.875) 14.401 8.968 ( -3.743 -5.530 -18.699) 19.856 10.346 ( 0.035 0.985 -45.091) 45.102 11.178 ( 4.708 5.608 28.061) 29.001 12.448 ( 2.977 3.033 -11.844) 12.584 13.205 ( 0.502 0.448 17.747) 17.760 13.858 ( 5.648 0.705 24.598) 25.248 14.881 ( 1.287 0.261 -6.919) 7.042 15.935 ( -6.596 -2.624 35.488) 36.191 17.507 ( -4.838 0.650 6.454) 8.092 17.777 ( -18.156 12.788 -11.950) 25.219 18.455 ( -1.637 6.765 -1.449) 7.109 19.725 ( -4.231 -3.046 -18.005) 18.744 23.231 ( -1.082 -11.666 9.614) 15.155 23.991 ( 3.642 -1.389 -12.640) 13.228 ======================= Grid point 271 (91/125) ======================= q-point: ( 0.44 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( 9.529 11.638 9.749) 17.924 2.083 ( 5.837 7.218 -0.558) 9.300 2.396 ( -7.129 10.662 12.641) 18.008 2.692 ( 3.999 -0.620 -1.856) 4.452 2.893 ( 5.879 -1.472 -1.589) 6.265 3.090 ( -2.150 6.106 1.923) 6.753 3.362 ( -5.147 -0.518 -2.352) 5.683 3.692 ( -0.777 2.709 4.037) 4.924 3.900 ( -5.768 2.341 -16.391) 17.534 4.152 ( 0.472 -12.281 0.252) 12.292 4.320 ( -7.151 6.729 -3.929) 10.576 4.392 ( 3.482 -8.536 -1.794) 9.392 4.586 ( 1.568 -7.911 6.891) 10.608 4.778 ( -0.184 5.244 3.294) 6.196 4.939 ( 3.125 -1.323 2.447) 4.184 5.226 ( 0.385 0.947 -5.397) 5.493 6.072 ( -3.620 0.845 21.348) 21.669 6.359 ( 2.619 1.801 12.111) 12.521 6.589 ( 1.746 3.178 34.265) 34.456 6.691 ( -1.379 0.633 10.197) 10.309 7.346 ( 1.342 -7.801 2.199) 8.215 7.898 ( -3.197 -2.847 16.452) 16.999 9.046 ( -2.927 -8.294 -18.849) 20.800 10.324 ( -0.061 1.632 -43.715) 43.745 11.102 ( 3.873 9.527 27.588) 29.443 12.411 ( 2.498 5.210 -12.862) 14.100 13.194 ( -0.523 0.770 17.100) 17.126 13.891 ( 4.098 1.991 24.452) 24.873 14.884 ( 0.555 0.655 -5.584) 5.649 15.922 ( -6.652 -5.361 60.281) 60.883 17.364 ( -7.639 16.364 -20.623) 27.412 17.465 ( -4.617 0.147 3.251) 5.648 18.379 ( 1.342 3.823 -3.309) 5.231 19.739 ( -2.852 -3.539 -21.411) 21.888 23.415 ( -3.304 -13.655 6.105) 15.318 24.062 ( 3.776 -2.264 -12.726) 13.466 ======================= Grid point 272 (92/125) ======================= q-point: ( 0.56 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( 3.477 12.404 4.067) 13.509 2.034 ( 4.873 6.227 -3.318) 8.574 2.196 ( -4.198 2.274 4.146) 6.324 2.696 ( 5.914 7.125 -6.684) 11.420 2.785 ( -8.321 6.754 0.405) 10.725 3.153 ( 5.456 -4.723 0.458) 7.230 3.333 ( -5.214 -1.427 1.699) 5.667 3.576 ( -3.483 4.785 -0.795) 5.972 3.757 ( -8.853 3.330 -11.989) 15.271 4.121 ( -4.458 8.689 -7.396) 12.250 4.369 ( 2.488 -10.546 2.635) 11.151 4.603 ( 5.573 -8.860 -1.033) 10.518 4.673 ( 1.236 6.595 3.931) 7.776 4.746 ( 2.434 -7.068 6.067) 9.628 5.022 ( 4.312 -1.891 2.963) 5.564 5.278 ( 4.710 -4.701 -4.079) 7.806 6.015 ( -4.712 0.184 19.750) 20.305 6.353 ( 0.417 0.982 16.384) 16.418 6.548 ( 1.042 3.100 25.360) 25.570 6.658 ( -2.259 1.187 21.220) 21.373 7.465 ( 0.854 -5.084 2.645) 5.794 7.918 ( -2.305 -3.214 18.871) 19.281 9.151 ( -1.939 -7.773 -19.227) 20.830 10.297 ( -0.091 1.518 -42.152) 42.179 10.975 ( 2.236 10.115 26.427) 28.384 12.346 ( 1.499 5.425 -14.589) 15.637 13.173 ( -0.907 0.777 16.916) 16.958 13.883 ( 2.134 3.347 25.149) 25.460 14.873 ( -0.082 0.962 -6.246) 6.320 15.982 ( -4.359 -10.647 77.172) 78.025 17.064 ( -1.279 15.020 -33.562) 36.792 17.450 ( -1.837 -2.085 4.727) 5.484 18.340 ( 0.680 2.786 -3.151) 4.260 19.774 ( -1.240 -3.636 -22.785) 23.107 23.580 ( -3.371 -11.682 3.364) 12.615 24.140 ( 3.595 -2.037 -13.248) 13.878 ======================= Grid point 273 (93/125) ======================= q-point: (-0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( -2.748 14.106 3.085) 14.698 1.984 ( 3.912 6.820 -7.788) 11.067 2.237 ( 0.176 -6.977 -10.621) 12.709 2.435 ( -5.869 20.391 -13.700) 25.257 2.774 ( 7.492 -2.476 9.083) 12.032 3.180 ( -12.858 -3.059 9.116) 16.056 3.346 ( 6.047 -2.508 2.624) 7.053 3.546 ( 0.171 -0.865 -4.750) 4.831 3.650 ( -7.142 -2.633 -8.526) 11.429 3.941 ( -2.072 8.731 -7.878) 11.941 4.501 ( 5.076 6.407 6.371) 10.364 4.596 ( -1.113 -5.601 2.678) 6.307 4.795 ( 2.220 -5.435 -1.567) 6.076 4.829 ( -1.228 -3.971 -0.387) 4.174 5.087 ( 4.301 -1.030 5.186) 6.815 5.444 ( 7.871 -5.223 -4.198) 10.337 5.969 ( -4.779 -1.032 19.177) 19.790 6.339 ( -0.772 0.495 21.048) 21.068 6.531 ( 2.017 0.986 17.751) 17.892 6.609 ( -2.987 1.018 29.032) 29.203 7.517 ( 0.300 -0.546 3.337) 3.394 7.945 ( -1.122 -2.386 20.380) 20.550 9.239 ( -0.822 -4.955 -19.681) 20.312 10.279 ( -0.056 0.463 -41.336) 41.338 10.850 ( 0.646 6.991 25.461) 26.411 12.284 ( 0.520 3.488 -16.252) 16.630 13.153 ( -0.650 0.630 17.221) 17.244 13.835 ( 0.504 4.243 26.310) 26.655 14.854 ( -0.284 1.031 -8.512) 8.579 16.188 ( -0.979 -19.455 81.638) 83.930 16.834 ( 0.247 13.932 -37.644) 40.140 17.486 ( -0.217 -3.673 5.649) 6.742 18.304 ( 0.004 2.168 -2.309) 3.168 19.824 ( -0.154 -3.465 -22.456) 22.722 23.712 ( -1.868 -8.425 0.749) 8.662 24.193 ( 2.544 0.037 -14.209) 14.435 ======================= Grid point 274 (94/125) ======================= q-point: (-0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( 0.000 8.409 0.902) 8.458 1.886 ( 0.000 8.839 -10.179) 13.481 2.022 ( 0.000 22.810 -8.742) 24.428 2.379 ( -0.000 -9.670 -14.549) 17.469 2.935 ( -0.000 -8.295 11.186) 13.926 3.128 ( -0.000 -1.932 6.703) 6.976 3.442 ( -0.000 -4.251 6.133) 7.462 3.536 ( 0.000 0.241 -4.010) 4.017 3.724 ( -0.000 -9.589 -8.853) 13.051 3.833 ( 0.000 1.965 -6.634) 6.919 4.341 ( 0.000 13.471 5.781) 14.659 4.738 ( 0.000 7.852 -4.658) 9.129 4.742 ( -0.000 -8.584 3.738) 9.363 4.945 ( -0.000 -7.177 -1.660) 7.367 5.146 ( -0.000 -2.884 7.814) 8.329 5.554 ( -0.000 -1.429 -4.339) 4.569 5.954 ( -0.000 -1.499 19.996) 20.052 6.319 ( 0.000 1.804 23.738) 23.807 6.546 ( -0.000 -0.337 -0.721) 0.796 6.577 ( 0.000 0.271 44.586) 44.586 7.491 ( 0.000 3.665 3.268) 4.911 7.967 ( -0.000 -1.151 20.348) 20.381 9.283 ( -0.000 -0.984 -20.088) 20.112 10.282 ( -0.000 -0.718 -42.049) 42.056 10.786 ( 0.000 1.004 25.965) 25.984 12.255 ( 0.000 0.357 -17.004) 17.007 13.140 ( 0.000 0.453 17.647) 17.653 13.768 ( 0.000 4.199 27.191) 27.513 14.837 ( 0.000 0.887 -10.996) 11.032 16.588 ( -0.000 -31.183 75.969) 82.120 16.614 ( 0.000 13.545 -36.058) 38.518 17.554 ( -0.000 -4.907 7.617) 9.060 18.275 ( 0.000 1.399 -1.431) 2.001 19.876 ( -0.000 -3.092 -20.816) 21.044 23.805 ( -0.000 -4.511 -2.283) 5.056 24.174 ( 0.000 4.865 -14.831) 15.609 ======================= Grid point 279 (95/125) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( 2.197 0.000 8.560) 8.838 2.199 ( 6.483 0.000 1.936) 6.766 2.507 ( 11.924 0.000 14.408) 18.702 2.658 ( -7.711 -0.000 21.726) 23.054 2.910 ( 11.031 0.000 0.420) 11.039 3.243 ( -5.209 -0.000 -0.411) 5.225 3.464 ( -7.136 -0.000 -8.289) 10.938 3.671 ( -3.071 -0.000 -8.831) 9.350 3.697 ( 8.031 0.000 8.497) 11.692 3.964 ( -2.961 -0.000 -1.577) 3.354 4.235 ( -4.115 -0.000 -0.749) 4.183 4.444 ( -10.189 -0.000 -2.164) 10.416 4.553 ( 3.710 0.000 -2.559) 4.507 4.720 ( 1.358 0.000 -1.205) 1.816 5.008 ( -0.192 -0.000 -0.809) 0.832 5.266 ( -2.842 -0.000 -7.260) 7.797 6.094 ( -2.365 -0.000 24.791) 24.903 6.429 ( 4.391 0.000 3.960) 5.913 6.619 ( 3.424 0.000 38.421) 38.574 6.728 ( -1.585 -0.000 2.834) 3.247 7.169 ( 2.024 0.000 6.040) 6.370 7.846 ( -4.287 -0.000 13.750) 14.403 8.883 ( -3.208 -0.000 -18.223) 18.504 10.354 ( -0.060 -0.000 -45.346) 45.346 11.278 ( 4.766 0.000 28.641) 29.035 12.509 ( 3.195 0.000 -10.603) 11.074 13.209 ( -0.453 -0.000 17.263) 17.269 13.925 ( 5.131 0.000 23.202) 23.763 14.896 ( 0.930 0.000 -4.027) 4.132 15.845 ( -6.126 -0.000 54.149) 54.494 17.454 ( -5.120 -0.000 5.362) 7.414 17.676 ( -16.668 -0.000 -23.972) 29.197 18.488 ( -1.523 -0.000 -5.515) 5.721 19.658 ( -2.971 -0.000 -18.890) 19.122 23.141 ( 0.898 0.000 12.841) 12.872 24.017 ( 3.178 0.000 -13.555) 13.923 ======================= Grid point 280 (96/125) ======================= q-point: ( 0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( 6.715 11.238 13.363) 18.707 2.218 ( 2.201 4.468 6.791) 8.422 2.483 ( -7.827 8.397 21.041) 23.969 2.692 ( 6.301 -5.343 5.059) 9.687 2.944 ( 2.360 4.926 -3.185) 6.323 3.154 ( -5.048 6.306 -0.550) 8.096 3.363 ( 1.770 -0.913 -7.387) 7.651 3.707 ( -4.755 -1.942 -0.672) 5.180 3.799 ( -1.677 -2.393 -6.728) 7.336 3.983 ( -0.688 -8.650 3.352) 9.303 4.275 ( -0.404 -2.813 -4.539) 5.355 4.349 ( -1.355 -1.314 -5.385) 5.706 4.551 ( 3.548 1.445 0.258) 3.840 4.800 ( 1.749 -4.165 0.923) 4.611 4.983 ( 1.520 2.896 0.670) 3.338 5.217 ( -3.911 0.145 -5.749) 6.955 6.057 ( -2.465 1.462 24.189) 24.358 6.442 ( 3.545 3.508 6.936) 8.543 6.650 ( 1.977 1.347 34.131) 34.215 6.687 ( -2.034 1.290 6.660) 7.082 7.245 ( 1.566 -6.160 5.536) 8.429 7.819 ( -3.475 -2.166 15.181) 15.724 8.900 ( -2.275 -5.706 -18.210) 19.218 10.345 ( -0.090 0.982 -44.722) 44.733 11.275 ( 3.636 6.221 28.788) 29.676 12.512 ( 2.472 3.521 -10.707) 11.539 13.196 ( -0.977 0.497 16.687) 16.723 13.963 ( 3.565 1.412 22.539) 22.863 14.899 ( 0.431 0.526 -2.261) 2.361 15.799 ( -5.007 -2.096 71.735) 71.940 17.407 ( -3.751 -0.488 4.015) 5.516 17.460 ( -9.652 7.463 -33.921) 36.049 18.451 ( 0.389 3.235 -5.953) 6.786 19.656 ( -2.002 -2.897 -21.168) 21.459 23.218 ( -0.224 -8.099 11.558) 14.115 24.063 ( 2.519 -1.769 -13.864) 14.202 ======================= Grid point 281 (97/125) ======================= q-point: ( 0.56 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( 5.770 13.659 10.020) 17.896 2.153 ( 1.500 5.093 6.685) 8.537 2.239 ( -6.101 9.065 12.496) 16.600 2.789 ( 0.498 1.053 -0.572) 1.298 2.846 ( 1.474 5.232 -3.862) 6.668 3.065 ( -4.863 -1.943 5.227) 7.399 3.425 ( 10.072 4.222 -8.690) 13.957 3.625 ( -3.098 5.137 2.400) 6.461 3.701 ( -11.261 2.250 -15.884) 19.600 4.151 ( -2.804 -5.146 -2.132) 6.236 4.226 ( 1.328 -2.832 -3.115) 4.414 4.516 ( 5.302 -8.564 -6.214) 11.835 4.636 ( 1.275 -7.930 7.735) 11.151 4.802 ( 0.971 5.444 5.170) 7.570 5.013 ( 2.373 -3.383 0.969) 4.244 5.218 ( -0.709 -4.587 -4.365) 6.372 5.997 ( -2.280 2.430 23.020) 23.260 6.408 ( 1.513 4.021 11.048) 11.854 6.602 ( -0.532 3.200 6.632) 7.382 6.667 ( -0.275 1.531 36.519) 36.552 7.371 ( 0.672 -7.353 3.619) 8.223 7.838 ( -1.748 -3.683 17.368) 17.840 8.999 ( -1.186 -8.526 -18.563) 20.461 10.322 ( -0.056 1.634 -43.421) 43.452 11.168 ( 1.707 10.471 28.023) 29.964 12.455 ( 1.175 5.888 -12.115) 13.521 13.176 ( -0.690 0.731 16.518) 16.549 13.957 ( 1.612 2.975 23.195) 23.440 14.889 ( 0.044 1.015 -2.874) 3.048 15.814 ( -2.679 -5.581 82.300) 82.533 17.247 ( -2.655 10.615 -40.036) 41.504 17.397 ( -1.648 -1.887 3.793) 4.546 18.400 ( 0.499 3.654 -4.969) 6.188 19.698 ( -0.901 -4.110 -22.696) 23.083 23.369 ( -0.976 -11.259 8.648) 14.230 24.124 ( 1.569 -2.972 -14.074) 14.469 ======================= Grid point 282 (98/125) ======================= q-point: (-0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( 0.000 18.636 6.511) 19.740 2.088 ( 0.000 4.580 -1.082) 4.706 2.160 ( -0.000 -1.977 0.593) 2.064 2.677 ( 0.000 11.095 -4.051) 11.811 2.819 ( 0.000 2.754 -4.097) 4.937 3.067 ( -0.000 -2.313 9.131) 9.420 3.401 ( 0.000 5.046 5.317) 7.330 3.552 ( 0.000 0.604 -17.309) 17.320 3.590 ( 0.000 1.973 -5.558) 5.898 4.067 ( 0.000 7.781 -7.753) 10.984 4.401 ( -0.000 -12.010 1.755) 12.137 4.681 ( -0.000 -8.682 -5.375) 10.211 4.691 ( 0.000 8.687 6.381) 10.779 4.767 ( -0.000 -5.947 7.289) 9.408 5.081 ( -0.000 -2.674 2.658) 3.770 5.347 ( -0.000 -10.062 -4.496) 11.020 5.948 ( 0.000 1.488 21.937) 21.988 6.359 ( 0.000 2.629 15.981) 16.196 6.563 ( 0.000 1.615 0.203) 1.628 6.625 ( 0.000 2.848 45.444) 45.533 7.475 ( -0.000 -4.878 2.961) 5.706 7.889 ( -0.000 -3.628 19.384) 19.721 9.128 ( -0.000 -8.021 -19.110) 20.726 10.296 ( 0.000 1.525 -41.935) 41.963 11.001 ( 0.000 10.822 26.459) 28.586 12.364 ( 0.000 5.878 -14.289) 15.450 13.160 ( 0.000 0.762 16.809) 16.826 13.908 ( 0.000 4.113 24.813) 25.151 14.871 ( 0.000 1.189 -5.522) 5.649 15.933 ( -0.000 -11.608 84.310) 85.105 17.050 ( 0.000 12.761 -40.307) 42.279 17.429 ( -0.000 -3.066 4.462) 5.414 18.348 ( 0.000 3.185 -3.498) 4.731 19.760 ( -0.000 -4.177 -23.037) 23.413 23.544 ( -0.000 -11.084 4.989) 12.155 24.182 ( -0.000 -2.693 -14.324) 14.575 ======================= Grid point 289 (99/125) ======================= q-point: ( 0.44 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( 3.314 0.000 16.072) 16.410 2.284 ( 1.470 0.000 10.912) 11.011 2.467 ( -7.009 -0.000 22.765) 23.820 2.693 ( 3.862 0.000 6.518) 7.577 3.070 ( 2.533 0.000 -2.890) 3.843 3.236 ( 4.034 0.000 -1.625) 4.349 3.245 ( -5.867 -0.000 -5.004) 7.711 3.616 ( -1.885 -0.000 -13.528) 13.659 3.808 ( -8.218 -0.000 6.455) 10.450 3.869 ( 2.429 0.000 2.341) 3.374 4.301 ( -2.003 -0.000 -5.198) 5.570 4.317 ( 7.879 0.000 -7.093) 10.601 4.630 ( 1.820 0.000 -4.737) 5.075 4.746 ( 0.681 0.000 -0.411) 0.795 5.024 ( 0.832 0.000 0.119) 0.841 5.159 ( -5.008 -0.000 -4.093) 6.468 6.052 ( -1.105 -0.000 24.641) 24.666 6.513 ( 2.734 0.000 5.098) 5.785 6.674 ( 1.369 0.000 35.643) 35.669 6.679 ( -2.134 -0.000 2.209) 3.071 7.208 ( 1.168 0.000 9.039) 9.114 7.767 ( -2.232 -0.000 14.898) 15.065 8.833 ( -1.176 -0.000 -17.941) 17.979 10.352 ( -0.069 -0.000 -45.029) 45.029 11.360 ( 2.170 0.000 29.477) 29.557 12.565 ( 1.483 0.000 -9.719) 9.831 13.190 ( -0.797 -0.000 16.252) 16.272 14.006 ( 1.965 0.000 21.214) 21.305 14.907 ( 0.211 0.000 0.085) 0.227 15.741 ( -2.732 -0.000 81.229) 81.275 17.367 ( -2.271 -0.000 3.289) 3.997 17.429 ( -5.513 -0.000 -41.636) 41.999 18.479 ( 0.048 0.000 -7.456) 7.457 19.616 ( -0.917 -0.000 -21.535) 21.554 23.156 ( 0.384 0.000 13.391) 13.397 24.069 ( 1.295 0.000 -14.296) 14.354 ======================= Grid point 290 (100/125) ======================= q-point: (-0.44 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( 0.000 7.447 14.483) 16.286 2.265 ( 0.000 4.295 11.135) 11.934 2.326 ( 0.000 9.533 21.759) 23.756 2.765 ( -0.000 -4.334 1.578) 4.612 2.991 ( 0.000 12.264 -4.542) 13.078 3.044 ( 0.000 2.948 1.516) 3.315 3.502 ( -0.000 -12.394 -8.970) 15.299 3.602 ( 0.000 1.169 -14.573) 14.620 3.687 ( 0.000 6.372 8.202) 10.387 3.983 ( -0.000 -10.315 1.626) 10.442 4.255 ( 0.000 2.867 -5.500) 6.203 4.434 ( -0.000 -6.353 -7.871) 10.115 4.589 ( 0.000 1.758 -0.427) 1.809 4.819 ( -0.000 -4.119 1.229) 4.298 5.006 ( 0.000 1.558 0.423) 1.614 5.149 ( -0.000 -2.491 -3.288) 4.125 6.027 ( 0.000 2.240 24.175) 24.279 6.490 ( 0.000 4.266 7.358) 8.506 6.643 ( 0.000 2.513 1.706) 3.037 6.684 ( 0.000 0.223 37.417) 37.418 7.265 ( -0.000 -5.758 7.033) 9.089 7.775 ( -0.000 -2.535 15.772) 15.974 8.874 ( -0.000 -5.693 -18.082) 18.957 10.343 ( 0.000 0.972 -44.553) 44.564 11.318 ( 0.000 6.543 29.250) 29.973 12.542 ( 0.000 3.737 -10.250) 10.910 13.182 ( 0.000 0.427 16.187) 16.192 14.004 ( 0.000 1.653 21.480) 21.543 14.903 ( 0.000 0.644 -0.163) 0.664 15.740 ( -0.000 -2.054 84.863) 84.888 17.355 ( 0.000 5.403 -43.617) 43.950 17.362 ( -0.000 -1.064 3.124) 3.300 18.456 ( 0.000 2.705 -6.859) 7.373 19.635 ( -0.000 -2.844 -22.222) 22.403 23.216 ( -0.000 -6.971 12.191) 14.043 24.092 ( -0.000 -1.944 -14.340) 14.471 ======================= Grid point 332 (101/125) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 0.000 0.000 10.277) 10.277 1.319 ( 0.000 0.000 -16.826) 16.826 2.436 ( 0.000 0.000 17.755) 17.755 2.673 ( 0.000 0.000 -5.227) 5.227 3.008 ( 0.000 0.000 9.336) 9.336 3.213 ( 0.000 0.000 -9.782) 9.782 3.683 ( 0.000 0.000 11.366) 11.366 3.774 ( 0.000 0.000 -2.052) 2.052 3.925 ( 0.000 0.000 0.918) 0.918 4.061 ( 0.000 0.000 -8.310) 8.310 4.206 ( 0.000 0.000 3.408) 3.408 4.266 ( 0.000 0.000 -2.337) 2.337 4.971 ( 0.000 0.000 6.937) 6.937 5.088 ( 0.000 0.000 -4.508) 4.508 5.388 ( 0.000 0.000 3.310) 3.310 5.453 ( 0.000 0.000 -2.979) 2.979 6.305 ( 0.000 0.000 6.268) 6.268 6.425 ( 0.000 0.000 12.548) 12.548 6.489 ( 0.000 0.000 -11.331) 11.331 6.586 ( 0.000 0.000 -3.826) 3.826 8.045 ( 0.000 0.000 62.739) 62.739 8.295 ( 0.000 0.000 17.447) 17.447 8.679 ( 0.000 0.000 -19.623) 19.623 9.286 ( 0.000 0.000 -57.114) 57.114 11.604 ( 0.000 0.000 24.180) 24.180 12.049 ( 0.000 0.000 -19.278) 19.278 13.536 ( 0.000 0.000 20.713) 20.713 13.885 ( 0.000 0.000 -7.964) 7.964 14.811 ( 0.000 0.000 21.110) 21.110 15.433 ( 0.000 0.000 -34.179) 34.179 17.854 ( 0.000 0.000 8.994) 8.994 18.035 ( 0.000 0.000 -8.500) 8.500 19.618 ( 0.000 0.000 6.625) 6.625 19.754 ( 0.000 0.000 -6.615) 6.615 23.344 ( 0.000 0.000 12.773) 12.773 23.609 ( 0.000 0.000 -12.863) 12.863 ======================= Grid point 333 (102/125) ======================= q-point: ( 0.11 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 14.067 -2.402 7.690) 16.211 1.383 ( 8.730 -1.651 -14.541) 17.041 2.307 ( 1.610 14.106 19.833) 24.391 2.625 ( -0.327 6.853 -10.471) 12.518 3.051 ( 3.171 -2.686 8.415) 9.386 3.243 ( 2.038 -2.201 -9.250) 9.724 3.624 ( -5.095 4.397 17.157) 18.429 3.828 ( -3.388 -5.278 0.508) 6.292 3.966 ( -1.664 -4.970 -4.240) 6.742 3.989 ( -3.954 2.572 -9.931) 10.994 4.162 ( 5.932 7.618 3.095) 10.139 4.223 ( 5.591 8.097 -2.440) 10.138 4.985 ( -0.526 -1.445 6.181) 6.369 5.088 ( -0.540 -0.028 -3.976) 4.013 5.329 ( -9.114 0.552 3.896) 9.927 5.408 ( -9.105 -0.348 -3.815) 9.878 6.342 ( 0.400 -4.266 9.393) 10.324 6.424 ( 2.644 0.882 11.401) 11.737 6.573 ( 1.496 -4.230 -8.945) 10.007 6.600 ( 3.767 -2.224 -5.968) 7.400 8.056 ( 0.107 -1.319 61.732) 61.746 8.311 ( -0.372 -2.180 18.556) 18.688 8.703 ( -1.214 -3.690 -19.957) 20.331 9.289 ( 0.366 -0.139 -56.613) 56.615 11.572 ( 1.049 4.618 24.477) 24.931 12.024 ( 0.852 3.555 -19.701) 20.037 13.540 ( 0.791 0.052 20.526) 20.541 13.891 ( 0.567 -0.275 -8.620) 8.643 14.846 ( 3.448 -1.803 22.456) 22.790 15.480 ( 3.529 -3.314 -34.198) 34.539 17.834 ( -1.112 1.849 9.265) 9.513 18.021 ( -0.875 1.441 -8.839) 8.999 19.382 ( -8.431 19.819 17.341) 27.651 19.689 ( -5.020 5.237 -13.190) 15.053 23.440 ( 0.009 -10.551 8.903) 13.805 23.649 ( 0.609 -4.224 -11.071) 11.865 ======================= Grid point 334 (103/125) ======================= q-point: ( 0.22 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( 15.751 0.151 6.274) 16.956 1.540 ( 12.389 -1.630 -11.203) 16.783 2.120 ( 5.699 11.555 17.138) 21.441 2.462 ( 1.293 12.832 -14.956) 19.749 3.148 ( 3.127 -3.807 9.706) 10.885 3.307 ( 0.130 -1.064 -3.953) 4.096 3.435 ( -5.713 6.575 10.244) 13.446 3.692 ( -8.699 11.220 -11.199) 18.083 3.967 ( -2.013 -6.440 6.091) 9.090 4.074 ( 4.434 3.976 -1.499) 6.141 4.175 ( 9.852 6.378 -0.728) 11.759 4.193 ( 3.925 -8.176 -5.195) 10.452 4.990 ( -0.488 0.254 4.614) 4.647 5.060 ( -3.013 1.732 -1.996) 4.008 5.194 ( -12.160 0.737 3.302) 12.622 5.268 ( -15.357 0.254 -3.841) 15.832 6.391 ( 1.484 0.289 11.845) 11.941 6.498 ( 2.741 -5.844 10.375) 12.219 6.593 ( 3.895 1.753 -2.783) 5.098 6.755 ( 1.744 -8.947 -9.816) 13.395 8.089 ( 0.370 -2.366 59.354) 59.402 8.352 ( -0.488 -3.326 20.526) 20.799 8.762 ( -1.542 -5.304 -20.573) 21.301 9.297 ( 0.506 -0.177 -55.307) 55.309 11.490 ( 1.835 7.157 25.151) 26.213 11.962 ( 1.413 5.540 -20.765) 21.538 13.549 ( 1.035 0.221 20.109) 20.136 13.904 ( 0.771 -0.339 -10.214) 10.249 14.935 ( 5.403 -2.885 25.941) 26.655 15.608 ( 5.974 -5.732 -34.744) 35.717 17.771 ( -2.105 3.695 9.496) 10.405 17.951 ( -3.216 5.268 -7.554) 9.755 18.929 ( -9.964 20.463 33.212) 40.262 19.512 ( -6.618 7.504 -23.791) 25.809 23.623 ( -1.190 -11.768 2.994) 12.202 23.737 ( 0.627 -5.363 -7.636) 9.352 ======================= Grid point 335 (104/125) ======================= q-point: ( 0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( 9.811 2.739 7.934) 12.912 1.632 ( 6.489 3.369 -6.469) 9.763 2.131 ( 12.107 0.572 2.114) 12.303 2.297 ( 4.334 10.241 -12.156) 16.475 3.056 ( -9.226 8.570 14.726) 19.376 3.245 ( -7.653 5.560 -3.129) 9.964 3.419 ( 2.257 -3.521 1.205) 4.353 3.558 ( 3.992 -3.035 -11.890) 12.904 3.976 ( 1.213 4.854 4.306) 6.601 4.014 ( 8.461 10.430 0.413) 13.437 4.275 ( 4.604 -6.602 4.416) 9.181 4.389 ( 0.864 -11.029 -6.216) 12.690 4.951 ( -5.364 2.588 1.942) 6.264 4.970 ( -5.067 2.101 0.331) 5.495 5.046 ( -9.610 2.332 2.839) 10.288 5.115 ( -9.775 -0.317 -3.657) 10.442 6.390 ( 1.443 1.483 11.540) 11.724 6.566 ( 1.713 0.649 -4.230) 4.610 6.660 ( 2.218 -5.247 12.925) 14.124 6.891 ( 0.833 -5.981 -7.130) 9.344 8.134 ( 0.486 -2.406 56.690) 56.743 8.398 ( -0.373 -2.846 21.651) 21.841 8.828 ( -1.027 -4.508 -20.909) 21.414 9.304 ( 0.378 -0.064 -53.752) 53.753 11.399 ( 1.829 6.379 25.775) 26.616 11.891 ( 1.345 4.972 -21.965) 22.561 13.554 ( 0.750 0.316 19.727) 19.744 13.916 ( 0.578 -0.214 -11.900) 11.916 15.041 ( 4.911 -2.686 30.121) 30.636 15.775 ( 6.196 -6.130 -37.008) 38.020 17.676 ( -2.244 5.245 10.073) 11.576 17.772 ( -6.531 9.074 3.484) 11.711 18.604 ( -4.970 9.232 35.235) 36.762 19.343 ( -4.866 5.047 -32.144) 32.899 23.763 ( -1.690 -7.576 -0.114) 7.763 23.819 ( 0.273 -3.969 -5.174) 6.527 ======================= Grid point 336 (105/125) ======================= q-point: ( 0.44 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 2.860 1.257 4.294) 5.310 1.623 ( 1.867 2.340 -7.048) 7.657 2.227 ( 4.588 1.964 -2.179) 5.445 2.278 ( 5.622 0.008 -6.600) 8.670 2.886 ( -2.126 2.261 7.095) 7.744 3.015 ( -8.740 6.324 -4.817) 11.815 3.561 ( 3.374 -5.889 3.789) 7.773 3.691 ( 2.622 -5.352 -8.333) 10.245 3.878 ( -0.085 5.961 4.358) 7.384 3.945 ( 4.225 6.946 -1.943) 8.359 4.416 ( 1.840 -4.875 7.015) 8.739 4.531 ( 0.950 -4.732 -4.159) 6.372 4.834 ( -6.225 3.109 2.714) 7.469 4.857 ( -5.447 0.150 1.043) 5.548 4.988 ( 1.101 1.150 0.220) 1.607 5.045 ( -3.498 0.313 -4.247) 5.511 6.382 ( 0.439 0.664 11.475) 11.503 6.566 ( 0.659 0.590 -5.991) 6.056 6.742 ( 0.572 -2.390 14.772) 14.975 6.959 ( 0.228 -1.956 -4.618) 5.021 8.167 ( 0.225 -1.037 54.906) 54.916 8.428 ( -0.144 -1.085 21.851) 21.879 8.873 ( -0.316 -1.787 -20.910) 20.989 9.307 ( 0.128 0.021 -52.712) 52.712 11.340 ( 0.775 2.541 26.099) 26.234 11.844 ( 0.557 1.991 -22.741) 22.835 13.556 ( 0.258 0.152 19.528) 19.530 13.922 ( 0.203 -0.063 -12.928) 12.929 15.112 ( 1.990 -1.106 33.052) 33.131 15.907 ( 2.892 -2.938 -40.757) 40.965 17.542 ( -2.639 5.370 23.026) 23.790 17.633 ( -2.033 1.894 4.585) 5.362 18.493 ( -1.113 1.946 29.247) 29.333 19.253 ( -1.698 1.606 -36.012) 36.088 23.828 ( -0.700 -2.423 -0.978) 2.705 23.864 ( -0.026 -1.474 -4.211) 4.462 ======================= Grid point 342 (106/125) ======================= q-point: ( 0.11 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 23.495 0.000 3.336) 23.730 1.507 ( 15.143 0.000 -11.483) 19.004 2.470 ( 3.219 0.000 16.201) 16.517 2.659 ( -0.330 -0.000 -1.229) 1.273 3.086 ( 6.208 0.000 6.436) 8.942 3.257 ( 3.467 0.000 -8.706) 9.371 3.598 ( -6.744 -0.000 13.782) 15.344 3.738 ( -2.766 -0.000 -2.860) 3.978 3.883 ( -3.565 -0.000 -0.683) 3.629 3.980 ( -6.444 -0.000 -7.675) 10.021 4.285 ( 5.938 0.000 3.444) 6.864 4.349 ( 6.079 0.000 -2.617) 6.618 4.959 ( -1.676 -0.000 6.577) 6.787 5.064 ( -5.089 -0.000 -3.222) 6.024 5.205 ( -11.530 -0.000 1.955) 11.695 5.274 ( -14.070 -0.000 -4.144) 14.668 6.329 ( 2.457 0.000 5.597) 6.113 6.435 ( 1.164 0.000 3.907) 4.077 6.563 ( 4.887 0.000 -2.050) 5.299 6.654 ( 4.577 0.000 -3.237) 5.606 8.047 ( 0.205 0.000 61.003) 61.003 8.286 ( -0.896 -0.000 18.693) 18.714 8.650 ( -2.452 -0.000 -19.369) 19.524 9.294 ( 0.672 0.000 -56.707) 56.711 11.628 ( 2.224 0.000 24.047) 24.150 12.069 ( 1.879 0.000 -18.995) 19.088 13.553 ( 1.321 0.000 20.038) 20.082 13.898 ( 1.071 0.000 -9.076) 9.139 14.889 ( 6.740 0.000 23.319) 24.273 15.513 ( 7.096 0.000 -32.326) 33.096 17.829 ( -2.497 -0.000 9.214) 9.546 18.016 ( -2.010 -0.000 -9.002) 9.224 19.405 ( -17.940 -0.000 12.092) 21.634 19.643 ( -9.398 -0.000 -10.864) 14.365 23.356 ( 1.004 0.000 13.047) 13.086 23.626 ( 1.478 0.000 -13.114) 13.197 ======================= Grid point 343 (107/125) ======================= q-point: ( 0.22 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 21.357 3.257 1.556) 21.660 1.700 ( 17.948 -0.427 -8.448) 19.841 2.387 ( 5.964 12.424 16.399) 21.421 2.638 ( 2.313 5.705 -6.335) 8.834 3.160 ( 5.456 -0.323 7.343) 9.154 3.305 ( 1.983 -0.677 -5.417) 5.808 3.462 ( -7.824 5.580 14.461) 17.363 3.712 ( -6.612 1.589 -5.150) 8.530 3.873 ( -4.587 1.048 -4.027) 6.193 3.926 ( -2.097 -10.119 -5.738) 11.820 4.325 ( 7.720 3.429 3.650) 9.202 4.382 ( 6.727 4.663 -1.581) 8.336 4.936 ( -12.621 -1.855 3.818) 13.315 4.943 ( -10.653 -1.913 2.636) 11.140 5.110 ( -12.376 1.328 -2.574) 12.711 5.134 ( -2.111 0.546 -4.011) 4.565 6.378 ( 2.654 -2.065 8.298) 8.953 6.478 ( 1.743 -2.295 6.681) 7.276 6.638 ( 3.401 -2.298 -4.985) 6.458 6.695 ( 3.716 -0.623 -3.680) 5.267 8.063 ( 0.554 -1.493 58.868) 58.889 8.293 ( -1.292 -2.438 20.481) 20.666 8.655 ( -2.873 -4.304 -19.468) 20.144 9.302 ( 0.764 -0.033 -55.922) 55.927 11.619 ( 3.237 4.868 24.194) 24.890 12.063 ( 2.717 3.870 -19.148) 19.723 13.565 ( 1.148 0.261 19.467) 19.503 13.911 ( 1.156 -0.065 -10.536) 10.599 14.984 ( 8.497 -0.883 26.438) 27.784 15.629 ( 9.672 -2.553 -31.249) 32.811 17.779 ( -4.059 1.613 9.188) 10.173 17.965 ( -5.012 2.301 -8.708) 10.307 19.058 ( -18.680 13.808 23.518) 33.056 19.500 ( -10.948 3.177 -19.142) 22.279 23.443 ( 0.380 -8.605 10.450) 13.542 23.676 ( 1.780 -3.607 -11.943) 12.602 ======================= Grid point 344 (108/125) ======================= q-point: ( 0.33 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 14.580 8.211 6.579) 17.980 1.830 ( 12.291 6.910 -5.061) 14.981 2.325 ( 11.941 6.248 6.514) 14.969 2.530 ( 5.162 11.604 -10.486) 16.470 3.094 ( -8.891 8.701 16.318) 20.519 3.253 ( -4.748 4.386 -0.614) 6.493 3.391 ( -0.576 -1.775 1.106) 2.169 3.577 ( -0.495 2.390 -14.723) 14.924 3.918 ( -1.679 -6.128 7.770) 10.038 4.083 ( -0.740 -8.115 -7.400) 11.007 4.352 ( 6.050 1.942 1.238) 6.473 4.358 ( 4.036 4.237 0.779) 5.904 4.792 ( -13.489 -2.986 3.589) 14.274 4.872 ( -12.017 -1.230 -3.550) 12.591 5.011 ( -1.598 0.331 4.919) 5.183 5.107 ( -0.366 1.488 -4.593) 4.842 6.414 ( 0.516 0.436 11.481) 11.501 6.544 ( 1.088 -3.770 6.040) 7.203 6.659 ( 1.689 1.242 -0.204) 2.107 6.800 ( 1.964 -6.584 -7.651) 10.283 8.104 ( 0.994 -2.347 56.927) 56.984 8.330 ( -1.553 -3.953 21.653) 22.065 8.715 ( -2.531 -6.566 -19.930) 21.136 9.310 ( 0.639 0.084 -54.549) 54.553 11.551 ( 3.541 8.100 24.716) 26.250 12.010 ( 2.930 6.479 -20.033) 21.258 13.568 ( 0.443 0.504 19.165) 19.177 13.923 ( 0.817 0.063 -12.257) 12.284 15.089 ( 7.913 -0.407 30.584) 31.593 15.791 ( 10.314 -3.376 -32.587) 34.347 17.695 ( -4.918 2.400 7.970) 9.668 17.807 ( -10.740 6.859 -0.517) 12.754 18.685 ( -10.130 10.407 31.527) 34.711 19.336 ( -8.298 3.076 -28.743) 30.075 23.595 ( -1.106 -9.957 6.456) 11.918 23.763 ( 1.694 -4.513 -9.684) 10.818 ======================= Grid point 345 (109/125) ======================= q-point: ( 0.44 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( 7.624 10.977 7.355) 15.255 1.791 ( 7.715 10.370 -4.810) 13.791 2.356 ( 4.915 7.335 0.038) 8.830 2.422 ( 6.112 8.881 -6.892) 12.795 2.902 ( -2.759 3.021 6.492) 7.674 3.027 ( -9.256 7.713 -4.480) 12.855 3.486 ( 1.103 -7.030 3.497) 7.928 3.621 ( 0.132 -4.662 -9.174) 10.292 3.892 ( -7.735 3.694 8.920) 12.371 4.066 ( -3.872 6.615 -7.307) 10.589 4.402 ( 3.610 -4.912 3.824) 7.196 4.466 ( 3.970 -8.426 -2.526) 9.651 4.752 ( -3.230 -1.184 2.265) 4.119 4.769 ( -4.352 -0.046 0.851) 4.435 5.021 ( 1.569 -0.091 2.680) 3.107 5.089 ( 2.324 1.135 -4.421) 5.122 6.391 ( -1.225 1.275 11.975) 12.104 6.573 ( -1.046 0.312 -4.157) 4.298 6.691 ( 0.377 -3.511 12.101) 12.606 6.908 ( 0.648 -4.814 -6.570) 8.171 8.151 ( 1.035 -1.843 55.444) 55.485 8.377 ( -1.585 -3.842 21.770) 22.163 8.794 ( -1.941 -6.042 -20.354) 21.320 9.313 ( 0.400 0.292 -53.170) 53.172 11.451 ( 2.750 8.285 25.371) 26.831 11.932 ( 2.296 6.612 -21.333) 22.452 13.561 ( -0.258 0.439 19.246) 19.253 13.927 ( 0.350 0.206 -13.504) 13.510 15.155 ( 5.024 1.423 33.912) 34.312 15.935 ( 7.837 -1.020 -37.484) 38.309 17.560 ( -10.509 5.722 18.346) 21.904 17.619 ( -4.334 0.778 4.682) 6.427 18.515 ( -2.692 3.333 27.998) 28.324 19.238 ( -4.147 0.493 -34.522) 34.774 23.720 ( -1.733 -7.524 4.006) 8.699 23.846 ( 1.844 -3.230 -8.150) 8.958 ======================= Grid point 346 (110/125) ======================= q-point: (-0.44 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 2.217 8.721 5.063) 10.325 1.699 ( 4.604 8.903 -7.996) 12.822 2.206 ( -5.241 6.490 1.027) 8.405 2.309 ( -3.484 9.836 -8.413) 13.404 2.877 ( 1.681 -1.589 6.936) 7.311 3.017 ( 8.432 -5.322 -6.183) 11.733 3.584 ( -1.410 -2.928 3.244) 4.591 3.683 ( -4.034 -4.206 -6.044) 8.396 3.705 ( -12.935 0.773 8.231) 15.351 3.869 ( -8.117 7.088 -7.673) 13.228 4.512 ( 5.276 0.755 6.012) 8.034 4.602 ( 3.679 0.554 -2.622) 4.552 4.740 ( -0.671 -6.590 3.406) 7.448 4.815 ( -0.265 -4.293 -2.830) 5.149 5.042 ( 6.293 1.094 4.228) 7.660 5.144 ( 8.453 -0.169 -5.288) 9.972 6.360 ( -2.337 0.028 11.836) 12.065 6.545 ( -2.260 0.271 -5.969) 6.388 6.737 ( -0.878 -1.851 15.036) 15.175 6.962 ( 0.005 -1.459 -4.951) 5.162 8.177 ( 0.596 -0.124 54.603) 54.606 8.412 ( -1.204 -2.308 21.901) 22.055 8.853 ( -1.317 -3.358 -20.767) 21.078 9.310 ( 0.174 0.384 -52.494) 52.495 11.363 ( 1.202 5.020 25.973) 26.480 11.863 ( 1.114 3.978 -22.533) 22.908 13.551 ( -0.641 0.143 19.588) 19.599 13.924 ( -0.017 0.313 -13.789) 13.792 15.147 ( 1.112 3.765 34.537) 34.759 15.964 ( 2.119 4.697 -41.725) 42.042 17.456 ( -4.280 -4.035 27.054) 27.686 17.603 ( -1.008 -2.582 3.433) 4.412 18.481 ( -0.015 -0.294 27.175) 27.177 19.227 ( -0.657 -2.298 -36.376) 36.454 23.794 ( -1.363 -4.003 2.702) 5.019 23.900 ( 2.197 -0.553 -7.558) 7.890 ======================= Grid point 347 (111/125) ======================= q-point: (-0.33 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( -3.798 6.708 8.222) 11.271 1.618 ( 1.016 5.640 -9.186) 10.828 2.065 ( -8.963 7.268 -2.855) 11.887 2.136 ( -4.303 -3.212 -9.256) 10.700 3.028 ( 9.185 -7.806 13.342) 17.981 3.239 ( 9.926 -7.313 -6.547) 13.959 3.463 ( -4.342 6.324 3.983) 8.644 3.574 ( -8.073 4.593 -5.950) 11.030 3.730 ( -9.017 -9.383 0.636) 13.028 3.781 ( -8.229 -7.814 -3.040) 11.748 4.440 ( 2.502 11.542 7.075) 13.767 4.570 ( 3.198 8.709 -5.159) 10.616 4.860 ( -2.229 -7.287 1.254) 7.722 4.897 ( -0.433 -7.907 -2.065) 8.183 5.154 ( 11.282 -1.604 5.955) 12.858 5.268 ( 12.529 -0.434 -4.987) 13.492 6.340 ( -3.137 -1.285 11.669) 12.152 6.521 ( -2.886 -0.852 -5.906) 6.629 6.719 ( -1.156 2.934 15.532) 15.849 6.954 ( -0.227 2.417 -5.397) 5.918 8.166 ( 0.085 1.809 55.228) 55.257 8.420 ( -0.595 -0.007 22.206) 22.214 8.869 ( -0.495 0.136 -21.182) 21.188 9.305 ( -0.028 0.374 -52.895) 52.896 11.330 ( -0.171 -0.402 26.318) 26.321 11.839 ( 0.048 -0.274 -23.012) 23.013 13.543 ( -0.727 -0.084 20.026) 20.040 13.917 ( -0.244 0.450 -12.959) 12.970 15.068 ( -1.721 5.281 32.078) 32.555 15.849 ( -2.094 8.675 -40.308) 41.284 17.566 ( 0.140 -10.075 18.984) 21.492 17.684 ( 1.926 -7.298 4.119) 8.598 18.525 ( 1.501 -4.781 32.400) 32.785 19.293 ( 1.623 -5.290 -35.009) 35.443 23.816 ( -0.644 -0.054 1.448) 1.586 23.904 ( 2.121 3.323 -7.170) 8.182 ======================= Grid point 348 (112/125) ======================= q-point: (-0.22 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( -6.151 5.374 9.092) 12.222 1.511 ( -3.758 6.355 -12.553) 14.563 1.937 ( -4.404 -3.348 12.013) 13.226 2.242 ( -0.941 -12.030 -16.451) 20.402 3.199 ( 1.104 3.630 10.067) 10.759 3.320 ( 4.631 -4.042 5.350) 8.149 3.408 ( -2.575 2.160 -0.633) 3.421 3.596 ( 8.251 -11.893 -9.006) 17.048 3.795 ( -9.218 -11.934 0.971) 15.111 3.854 ( -7.079 -11.449 -3.180) 13.831 4.244 ( 0.311 14.324 7.137) 16.007 4.404 ( 0.930 13.888 -8.186) 16.148 4.945 ( -0.753 -5.210 3.751) 6.463 5.009 ( 0.098 -5.702 -2.494) 6.225 5.293 ( 7.742 -1.845 5.966) 9.947 5.407 ( 9.609 -0.583 -5.072) 10.881 6.335 ( -2.640 -2.330 12.052) 12.555 6.513 ( -2.191 -1.753 -5.415) 6.099 6.618 ( -1.116 7.888 15.190) 17.153 6.877 ( -0.333 6.868 -8.198) 10.700 8.128 ( -0.102 2.728 57.522) 57.586 8.399 ( -0.101 2.102 21.768) 21.870 8.841 ( 0.221 3.086 -21.274) 21.498 9.298 ( -0.149 0.405 -54.169) 54.171 11.373 ( -0.575 -5.228 26.124) 26.648 11.873 ( -0.354 -3.959 -22.420) 22.770 13.537 ( -0.542 -0.104 20.433) 20.440 13.905 ( -0.282 0.583 -11.278) 11.296 14.959 ( -2.081 5.230 27.995) 28.555 15.679 ( -2.332 8.752 -37.792) 38.862 17.705 ( 0.586 -6.611 10.807) 12.682 17.860 ( 1.756 -9.767 -2.582) 10.254 18.699 ( 2.737 -15.108 38.997) 41.910 19.426 ( 2.196 -8.477 -29.962) 31.216 23.777 ( 0.014 4.947 -0.309) 4.957 23.836 ( 0.986 7.112 -6.036) 9.380 ======================= Grid point 349 (113/125) ======================= q-point: (-0.11 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 0.000 5.226 8.583) 10.048 1.385 ( 0.000 4.800 -14.170) 14.961 2.063 ( -0.000 -13.565 20.365) 24.469 2.452 ( -0.000 -13.579 -17.037) 21.787 3.101 ( 0.000 5.519 8.006) 9.724 3.284 ( 0.000 4.288 -8.810) 9.798 3.544 ( -0.000 -9.472 17.871) 20.226 3.862 ( -0.000 -10.264 -12.472) 16.153 3.929 ( -0.000 -13.801 4.329) 14.464 4.007 ( -0.000 -12.901 -3.246) 13.303 4.018 ( 0.000 12.775 6.597) 14.378 4.178 ( 0.000 14.319 -9.190) 17.015 4.994 ( -0.000 -1.196 4.870) 5.015 5.074 ( -0.000 -2.406 -3.010) 3.853 5.364 ( -0.000 -1.352 5.236) 5.408 5.467 ( 0.000 0.172 -4.757) 4.760 6.363 ( -0.000 -3.023 12.358) 12.722 6.463 ( 0.000 9.505 13.774) 16.736 6.535 ( -0.000 -2.439 -4.838) 5.418 6.735 ( 0.000 10.237 -11.247) 15.208 8.085 ( 0.000 2.356 60.236) 60.282 8.356 ( 0.000 3.003 20.208) 20.430 8.779 ( 0.000 4.631 -20.791) 21.300 9.291 ( 0.000 0.320 -55.647) 55.648 11.470 ( -0.000 -6.843 25.352) 26.260 11.947 ( -0.000 -5.199 -21.059) 21.691 13.535 ( -0.000 -0.045 20.655) 20.655 13.894 ( 0.000 0.540 -9.505) 9.521 14.872 ( 0.000 3.825 24.248) 24.548 15.540 ( 0.000 6.543 -35.985) 36.575 17.793 ( -0.000 -4.041 9.722) 10.529 17.982 ( -0.000 -4.481 -8.481) 9.593 19.049 ( -0.000 -24.615 32.130) 40.475 19.590 ( -0.000 -9.532 -21.594) 23.604 23.637 ( 0.000 12.217 1.608) 12.323 23.732 ( 0.000 6.091 -7.026) 9.299 ======================= Grid point 352 (114/125) ======================= q-point: ( 0.22 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( 21.049 0.000 -2.937) 21.252 1.887 ( 17.509 0.000 -3.559) 17.867 2.583 ( 6.999 0.000 12.717) 14.516 2.700 ( 4.563 0.000 2.201) 5.066 3.236 ( 5.448 0.000 3.864) 6.680 3.318 ( 0.410 0.000 -4.289) 4.308 3.422 ( -8.483 -0.000 14.082) 16.440 3.645 ( -7.158 -0.000 -6.545) 9.699 3.796 ( -2.731 -0.000 0.121) 2.734 3.854 ( -1.511 -0.000 -6.037) 6.224 4.426 ( 6.133 0.000 2.672) 6.690 4.458 ( 0.867 0.000 0.317) 0.924 4.731 ( -15.990 -0.000 0.505) 15.998 4.771 ( -17.438 -0.000 -1.603) 17.512 5.046 ( -2.785 -0.000 1.745) 3.287 5.135 ( 0.104 0.000 -5.828) 5.829 6.407 ( 4.302 0.000 4.593) 6.293 6.463 ( 0.963 0.000 5.191) 5.279 6.657 ( 3.347 0.000 -1.157) 3.542 6.730 ( 1.771 0.000 -2.967) 3.455 8.057 ( 0.719 0.000 55.448) 55.452 8.255 ( -1.809 -0.000 23.159) 23.229 8.583 ( -3.376 -0.000 -18.698) 19.000 9.311 ( 0.817 0.000 -55.799) 55.805 11.702 ( 4.393 0.000 23.726) 24.129 12.132 ( 3.774 0.000 -18.223) 18.610 13.578 ( 0.625 0.000 18.843) 18.853 13.924 ( 1.109 0.000 -11.909) 11.960 15.083 ( 10.121 0.000 29.186) 30.891 15.733 ( 12.456 0.000 -28.543) 31.142 17.735 ( -6.160 -0.000 8.720) 10.676 17.910 ( -9.089 -0.000 -7.960) 12.082 18.939 ( -20.912 -0.000 21.950) 30.317 19.392 ( -11.947 -0.000 -20.496) 23.724 23.386 ( 1.662 0.000 13.750) 13.850 23.671 ( 2.444 0.000 -13.839) 14.053 ======================= Grid point 353 (115/125) ======================= q-point: ( 0.33 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 15.479 6.931 3.263) 17.271 2.072 ( 14.088 3.894 -3.338) 14.993 2.568 ( 9.676 8.545 9.587) 16.080 2.744 ( 7.103 5.317 -5.092) 10.230 3.141 ( -9.022 9.694 16.820) 21.408 3.282 ( -4.348 5.173 -2.296) 7.137 3.331 ( -5.503 -1.778 2.740) 6.399 3.579 ( -4.579 -0.711 -14.771) 15.481 3.838 ( 2.927 -4.233 4.997) 7.173 3.937 ( 3.947 -8.342 -3.632) 9.918 4.370 ( -10.533 1.713 2.479) 10.955 4.428 ( -3.987 5.443 -2.192) 7.094 4.609 ( -7.103 -5.851 4.316) 10.164 4.723 ( -2.764 -6.726 -5.213) 8.948 5.016 ( -0.355 1.690 4.174) 4.517 5.123 ( -0.399 1.217 -6.001) 6.136 6.436 ( 1.788 1.159 8.845) 9.098 6.505 ( 1.239 -2.715 5.953) 6.659 6.693 ( 1.172 0.663 -3.082) 3.363 6.746 ( 1.245 -2.308 -4.440) 5.157 8.082 ( 1.148 -1.816 52.594) 52.638 8.254 ( -2.172 -2.528 25.520) 25.736 8.587 ( -3.096 -4.883 -18.724) 19.596 9.319 ( 0.697 0.089 -54.970) 54.975 11.710 ( 4.758 5.441 23.799) 24.873 12.141 ( 4.072 4.449 -18.224) 19.196 13.577 ( -0.259 0.395 18.624) 18.630 13.933 ( 0.672 0.140 -13.644) 13.661 15.190 ( 9.566 0.641 33.160) 34.518 15.889 ( 13.552 -1.098 -28.605) 31.672 17.650 ( -7.431 0.801 6.939) 10.199 17.746 ( -15.638 3.599 -0.650) 16.060 18.688 ( -12.380 5.529 24.979) 28.422 19.263 ( -9.466 0.592 -27.020) 28.637 23.458 ( 0.916 -6.283 12.365) 13.900 23.723 ( 2.339 -2.984 -13.326) 13.855 ======================= Grid point 354 (116/125) ======================= q-point: ( 0.44 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 10.099 14.249 8.310) 19.341 2.069 ( 9.413 11.243 -1.425) 14.732 2.555 ( 6.886 9.183 4.125) 12.197 2.659 ( 4.112 12.624 -3.887) 13.835 2.917 ( -4.133 3.500 6.255) 8.274 3.057 ( -8.943 8.730 -4.980) 13.453 3.356 ( -4.668 -6.303 4.289) 8.940 3.554 ( -4.126 -1.631 -14.363) 15.033 3.881 ( -3.207 3.318 10.765) 11.713 4.087 ( 0.003 -0.476 -7.967) 7.982 4.280 ( -7.079 -4.588 1.507) 8.569 4.338 ( -1.578 -8.655 -3.214) 9.366 4.717 ( 4.057 -5.845 5.658) 9.090 4.799 ( 3.195 -0.241 -1.712) 3.633 5.009 ( 0.843 -1.689 4.116) 4.529 5.105 ( 0.032 -0.113 -5.453) 5.454 6.406 ( -1.360 2.487 12.145) 12.472 6.553 ( 0.116 -1.377 2.035) 2.460 6.667 ( -0.727 0.712 3.710) 3.847 6.833 ( 1.110 -5.364 -7.754) 9.494 8.133 ( 1.593 -2.268 53.376) 53.448 8.284 ( -2.473 -4.375 24.055) 24.574 8.658 ( -2.476 -7.364 -19.245) 20.754 9.323 ( 0.470 0.293 -53.762) 53.765 11.637 ( 3.916 9.466 24.315) 26.384 12.083 ( 3.350 7.701 -19.170) 20.929 13.563 ( -0.859 0.504 18.900) 18.926 13.934 ( 0.208 0.284 -15.041) 15.046 15.257 ( 6.814 2.740 36.679) 37.407 16.042 ( 11.840 0.558 -33.614) 35.643 17.488 ( -16.622 4.115 15.892) 23.363 17.564 ( -6.343 -0.186 3.755) 7.374 18.532 ( -3.881 3.119 23.403) 23.926 19.182 ( -5.287 -0.785 -32.666) 33.100 23.580 ( -0.266 -7.950 9.814) 12.633 23.806 ( 1.942 -4.099 -12.092) 12.914 ======================= Grid point 355 (117/125) ======================= q-point: ( 0.56 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( 5.359 16.287 7.701) 18.795 1.950 ( 6.097 13.554 -5.284) 15.773 2.316 ( -5.304 14.374 7.311) 16.976 2.496 ( -0.870 15.791 -10.236) 18.838 2.868 ( 0.886 -1.566 6.453) 6.699 3.032 ( 8.248 -4.116 -9.011) 12.890 3.399 ( -8.830 -7.761 4.766) 12.685 3.530 ( -8.345 -3.919 -8.081) 12.260 3.716 ( -5.639 8.092 9.911) 13.983 3.935 ( -5.333 8.909 -10.456) 14.735 4.438 ( 1.691 -11.813 4.111) 12.622 4.528 ( 2.728 -11.333 -4.442) 12.475 4.777 ( 2.398 6.016 4.236) 7.739 4.817 ( 3.200 -0.152 0.719) 3.283 5.084 ( 4.155 -3.455 3.405) 6.387 5.172 ( 4.621 -5.442 -5.171) 8.815 6.345 ( -2.532 1.929 12.762) 13.153 6.533 ( -2.020 1.494 -5.171) 5.749 6.684 ( -0.670 -2.899 13.539) 13.862 6.918 ( 0.251 -4.000 -7.230) 8.267 8.177 ( 1.208 -1.060 54.808) 54.832 8.335 ( -1.927 -4.812 21.900) 22.505 8.751 ( -1.727 -6.832 -20.009) 21.214 9.320 ( 0.243 0.492 -52.708) 52.711 11.509 ( 2.210 10.144 25.117) 27.178 11.982 ( 1.939 8.153 -20.811) 22.435 13.546 ( -0.859 0.290 19.442) 19.463 13.930 ( -0.026 0.362 -15.528) 15.533 15.246 ( 3.022 5.374 37.739) 38.239 16.096 ( 6.096 5.878 -41.255) 42.115 17.325 ( -9.136 -3.007 29.736) 31.252 17.534 ( -3.220 -2.904 1.513) 4.593 18.481 ( -0.693 0.709 23.148) 23.169 19.171 ( -1.874 -2.727 -35.563) 35.716 23.694 ( -0.652 -6.789 7.653) 10.251 23.887 ( 1.596 -3.415 -11.148) 11.768 ======================= Grid point 356 (118/125) ======================= q-point: (-0.33 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 0.293 15.000 9.589) 17.806 1.798 ( 3.387 11.954 -10.167) 16.055 2.105 ( -2.642 5.447 -1.544) 6.248 2.185 ( -4.859 16.231 -9.001) 19.185 3.003 ( 7.458 -7.424 12.179) 16.095 3.234 ( 9.938 -7.214 -8.793) 15.104 3.388 ( -11.387 -5.027 6.088) 13.856 3.497 ( -10.205 -4.269 -5.675) 12.432 3.565 ( -1.740 4.088 6.495) 7.869 3.752 ( -2.160 7.981 -10.177) 13.112 4.620 ( 4.211 -1.954 4.890) 6.743 4.667 ( 1.316 1.680 2.903) 3.603 4.735 ( 0.015 -7.407 -2.087) 7.695 4.786 ( -2.012 3.000 -3.730) 5.192 5.204 ( 5.313 -4.005 6.021) 8.973 5.329 ( 6.012 -5.363 -6.154) 10.138 6.298 ( -2.312 0.415 12.808) 13.022 6.491 ( -1.850 0.701 -6.137) 6.448 6.717 ( -0.636 -1.566 15.905) 15.995 6.961 ( -0.033 -1.194 -5.828) 5.949 8.189 ( 0.377 0.628 54.591) 54.596 8.386 ( -0.785 -3.201 22.115) 22.359 8.827 ( -0.793 -4.193 -20.815) 21.248 9.313 ( 0.081 0.555 -52.358) 52.361 11.385 ( 0.612 6.681 25.954) 26.807 11.884 ( 0.601 5.291 -22.447) 23.070 13.536 ( -0.486 0.056 19.985) 19.991 13.923 ( -0.074 0.467 -14.847) 14.855 15.162 ( 0.283 7.044 35.679) 36.369 15.996 ( 0.706 10.300 -42.523) 43.758 17.384 ( -1.840 -10.708 29.136) 31.096 17.586 ( -0.471 -5.930 1.796) 6.214 18.485 ( 0.200 -1.557 26.783) 26.829 19.221 ( -0.049 -4.644 -36.185) 36.482 23.776 ( -0.371 -4.064 5.604) 6.933 23.940 ( 1.067 -0.983 -10.385) 10.486 ======================= Grid point 357 (119/125) ======================= q-point: (-0.22 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 0.000 10.815 10.864) 15.329 1.638 ( 0.000 10.424 -13.535) 17.083 1.946 ( 0.000 8.202 1.943) 8.429 2.093 ( -0.000 -5.056 -11.732) 12.775 3.209 ( -0.000 -10.312 14.322) 17.648 3.294 ( 0.000 4.067 8.708) 9.611 3.445 ( 0.000 2.495 -5.518) 6.055 3.494 ( -0.000 -11.046 -13.092) 17.129 3.552 ( -0.000 -6.153 5.270) 8.102 3.682 ( -0.000 -2.630 -7.481) 7.929 4.474 ( 0.000 13.328 7.030) 15.069 4.617 ( 0.000 11.645 -6.761) 13.466 4.820 ( -0.000 -9.264 3.837) 10.027 4.893 ( -0.000 -8.673 -3.194) 9.243 5.295 ( -0.000 -3.151 7.026) 7.700 5.435 ( -0.000 -2.875 -6.591) 7.191 6.289 ( -0.000 -1.122 12.710) 12.760 6.479 ( -0.000 -0.647 -6.098) 6.132 6.704 ( 0.000 3.084 15.997) 16.291 6.951 ( 0.000 2.579 -5.918) 6.455 8.168 ( 0.000 2.134 55.362) 55.403 8.412 ( -0.000 -0.460 22.455) 22.460 8.861 ( -0.000 -0.577 -21.335) 21.343 9.305 ( 0.000 0.537 -52.957) 52.959 11.329 ( 0.000 0.436 26.433) 26.437 11.841 ( 0.000 0.393 -23.143) 23.147 13.533 ( -0.000 -0.046 20.361) 20.361 13.914 ( 0.000 0.598 -13.182) 13.196 15.048 ( 0.000 6.914 31.797) 32.540 15.824 ( 0.000 10.699 -40.256) 41.654 17.566 ( -0.000 -11.372 18.237) 21.492 17.706 ( -0.000 -9.343 2.760) 9.742 18.544 ( -0.000 -6.242 33.827) 34.398 19.313 ( -0.000 -6.790 -34.447) 35.110 23.809 ( -0.000 -0.243 2.951) 2.961 23.930 ( 0.000 3.217 -8.953) 9.514 ======================= Grid point 362 (120/125) ======================= q-point: ( 0.33 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( 13.561 0.000 1.444) 13.638 2.242 ( 12.489 0.000 1.363) 12.563 2.761 ( 8.058 0.000 9.229) 12.252 2.839 ( 6.535 0.000 0.950) 6.604 3.153 ( -10.851 -0.000 16.738) 19.948 3.224 ( -7.987 -0.000 -0.707) 8.018 3.293 ( -5.303 -0.000 -6.627) 8.488 3.461 ( -7.181 -0.000 -12.066) 14.042 3.876 ( 9.824 0.000 6.780) 11.936 3.939 ( 6.280 0.000 -0.949) 6.351 4.240 ( -13.090 -0.000 2.678) 13.361 4.359 ( -16.533 -0.000 -6.929) 17.926 4.542 ( 3.519 0.000 2.887) 4.552 4.641 ( 1.959 0.000 -5.550) 5.885 5.034 ( 0.243 0.000 3.127) 3.136 5.126 ( -1.386 -0.000 -5.763) 5.928 6.466 ( -0.724 -0.000 10.680) 10.704 6.506 ( 4.399 0.000 3.213) 5.447 6.715 ( 2.114 0.000 -4.279) 4.772 6.729 ( -1.626 -0.000 -2.543) 3.019 8.077 ( 0.980 0.000 43.580) 43.591 8.211 ( -2.035 -0.000 33.995) 34.056 8.512 ( -2.774 -0.000 -18.093) 18.304 9.327 ( 0.604 0.000 -54.790) 54.794 11.810 ( 4.986 0.000 23.343) 23.870 12.225 ( 4.260 0.000 -17.180) 17.701 13.573 ( -1.029 -0.000 18.448) 18.476 13.940 ( 0.241 0.000 -15.336) 15.338 15.303 ( 9.139 0.000 36.911) 38.026 16.043 ( 15.265 0.000 -27.567) 31.512 17.566 ( -8.495 -0.000 4.735) 9.725 17.574 ( -20.329 -0.000 5.533) 21.068 18.608 ( -8.532 -0.000 20.375) 22.090 19.168 ( -7.643 -0.000 -28.465) 29.473 23.424 ( 1.585 0.000 14.563) 14.649 23.725 ( 2.305 0.000 -14.755) 14.934 ======================= Grid point 363 (121/125) ======================= q-point: ( 0.44 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( 10.450 9.439 6.781) 15.630 2.319 ( 8.802 6.933 2.746) 11.536 2.770 ( 7.477 5.113 5.741) 10.725 2.883 ( 0.153 12.538 1.241) 12.601 2.908 ( -8.654 3.757 11.245) 14.678 3.104 ( -3.616 5.436 -5.634) 8.624 3.222 ( -5.567 -1.811 0.137) 5.856 3.450 ( -7.397 -3.553 -16.624) 18.539 3.925 ( -1.343 4.428 10.471) 11.448 4.064 ( 6.604 -6.956 3.131) 10.090 4.153 ( -10.265 0.976 -6.213) 12.038 4.215 ( -0.036 -4.419 -6.800) 8.109 4.628 ( 2.363 -7.428 6.150) 9.929 4.753 ( 2.060 -8.129 -5.055) 9.792 5.022 ( 0.492 1.494 2.927) 3.323 5.100 ( -1.645 0.401 -4.852) 5.139 6.434 ( -1.191 2.449 12.743) 13.031 6.556 ( 2.932 -0.273 2.674) 3.978 6.680 ( -2.005 2.234 -0.459) 3.037 6.772 ( 1.082 -3.736 -6.765) 7.804 8.110 ( 1.327 -2.574 39.624) 39.730 8.204 ( -2.127 -1.921 37.623) 37.732 8.528 ( -2.015 -5.090 -18.252) 19.055 9.331 ( 0.401 0.185 -54.114) 54.116 11.810 ( 3.846 6.183 23.438) 24.543 12.227 ( 3.267 5.082 -17.256) 18.283 13.557 ( -1.235 0.276 18.723) 18.766 13.939 ( -0.079 0.164 -16.689) 16.690 15.375 ( 6.501 2.249 40.312) 40.895 16.203 ( 14.129 1.282 -32.700) 35.644 17.331 ( -19.316 1.419 18.779) 26.978 17.482 ( -6.817 -0.652 1.503) 7.011 18.528 ( -3.395 1.486 18.121) 18.496 19.109 ( -4.425 -1.124 -31.496) 31.826 23.479 ( 0.814 -4.759 13.765) 14.587 23.770 ( 1.674 -2.654 -14.529) 14.863 ======================= Grid point 364 (122/125) ======================= q-point: ( 0.56 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( 4.950 17.454 7.806) 19.750 2.225 ( 4.131 13.361 0.450) 13.993 2.535 ( -4.231 18.850 14.077) 23.904 2.737 ( 0.527 12.425 -6.337) 13.958 2.842 ( -0.097 -2.232 6.294) 6.679 3.085 ( 7.851 0.343 -13.346) 15.488 3.209 ( -6.489 -4.560 2.913) 8.450 3.391 ( -8.659 -1.619 -12.737) 15.486 3.793 ( -2.921 6.958 10.610) 13.020 4.008 ( -3.639 5.808 -9.803) 11.962 4.266 ( 2.183 -11.306 4.859) 12.498 4.385 ( 3.037 -10.059 -6.420) 12.314 4.789 ( 1.527 -7.648 6.231) 9.983 4.859 ( 1.280 -0.255 -0.134) 1.312 5.040 ( 1.334 -4.133 2.052) 4.803 5.111 ( 0.458 -4.030 -4.858) 6.328 6.369 ( -1.313 3.533 13.546) 14.061 6.556 ( 0.078 2.710 -4.073) 4.893 6.646 ( -0.748 -0.878 9.609) 9.678 6.850 ( 0.385 -4.689 -8.402) 9.630 8.171 ( 1.747 -1.771 51.824) 51.884 8.230 ( -2.187 -4.935 25.164) 25.737 8.616 ( -1.069 -7.567 -18.990) 20.470 9.330 ( 0.171 0.408 -53.243) 53.245 11.704 ( 1.789 10.581 24.072) 26.355 12.141 ( 1.535 8.615 -18.545) 20.506 13.542 ( -0.713 0.249 19.217) 19.231 13.934 ( -0.097 0.252 -17.154) 17.156 15.367 ( 2.730 5.141 41.361) 41.769 16.271 ( 7.256 6.184 -42.983) 44.028 17.169 ( -9.718 -2.920 33.813) 35.303 17.451 ( -3.064 -2.638 -0.603) 4.088 18.487 ( -0.781 0.968 18.666) 18.707 19.107 ( -1.580 -2.647 -34.083) 34.222 23.579 ( 0.050 -6.822 11.703) 13.546 23.839 ( 0.862 -3.994 -13.601) 14.202 ======================= Grid point 365 (123/125) ======================= q-point: (-0.33 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( 0.000 19.251 8.813) 21.173 2.026 ( 0.000 13.748 -5.329) 14.744 2.243 ( 0.000 13.889 7.681) 15.872 2.458 ( 0.000 19.651 -12.519) 23.299 2.932 ( -0.000 -6.541 10.817) 12.641 3.206 ( -0.000 -6.150 -15.620) 16.788 3.230 ( -0.000 -4.865 6.754) 8.324 3.360 ( -0.000 -2.405 -6.201) 6.651 3.661 ( 0.000 7.433 9.648) 12.179 3.877 ( 0.000 8.334 -10.519) 13.420 4.465 ( -0.000 -12.126 4.332) 12.876 4.568 ( -0.000 -10.833 -5.500) 12.149 4.803 ( 0.000 6.839 4.194) 8.022 4.846 ( 0.000 1.498 0.518) 1.585 5.145 ( -0.000 -6.388 3.771) 7.418 5.238 ( -0.000 -9.046 -5.226) 10.447 6.310 ( 0.000 2.529 13.525) 13.759 6.507 ( 0.000 2.471 -5.976) 6.467 6.675 ( -0.000 -2.665 14.512) 14.755 6.920 ( -0.000 -3.701 -7.700) 8.544 8.193 ( -0.000 -0.357 55.618) 55.619 8.309 ( -0.000 -5.539 21.078) 21.794 8.730 ( -0.000 -7.017 -19.975) 21.172 9.323 ( 0.000 0.553 -52.532) 52.535 11.536 ( 0.000 10.942 25.035) 27.321 12.005 ( 0.000 8.794 -20.604) 22.402 13.535 ( 0.000 0.142 19.679) 19.680 13.929 ( 0.000 0.351 -16.479) 16.483 15.281 ( 0.000 7.056 39.373) 40.000 16.170 ( 0.000 10.117 -44.861) 45.988 17.214 ( -0.000 -8.205 35.738) 36.668 17.495 ( -0.000 -4.657 -0.205) 4.661 18.475 ( 0.000 0.043 21.830) 21.830 19.152 ( -0.000 -3.796 -35.723) 35.924 23.687 ( -0.000 -6.497 9.008) 11.106 23.906 ( -0.000 -3.552 -12.319) 12.821 ======================= Grid point 372 (124/125) ======================= q-point: ( 0.44 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.473 ( 7.475 0.000 6.413) 9.849 2.474 ( 8.511 0.000 7.745) 11.508 2.821 ( -3.560 -0.000 5.727) 6.743 2.826 ( -8.583 -0.000 9.648) 12.914 3.040 ( 3.514 0.000 2.215) 4.154 3.157 ( 4.621 0.000 -6.470) 7.950 3.162 ( -5.501 -0.000 -0.288) 5.508 3.326 ( -5.859 -0.000 -13.318) 14.550 3.961 ( -4.846 -0.000 7.354) 8.807 3.972 ( -3.254 -0.000 6.482) 7.253 4.166 ( 5.674 0.000 -7.057) 9.056 4.172 ( 0.411 0.000 -6.874) 6.887 4.594 ( 1.153 0.000 1.617) 1.986 4.676 ( 0.887 0.000 -5.189) 5.265 5.038 ( 0.081 0.000 1.250) 1.253 5.079 ( -2.018 -0.000 -2.932) 3.559 6.445 ( -0.713 -0.000 13.812) 13.831 6.596 ( 3.789 0.000 1.097) 3.944 6.673 ( -3.173 -0.000 -0.976) 3.320 6.749 ( 0.847 0.000 -6.054) 6.113 8.094 ( 0.456 0.000 23.124) 23.129 8.176 ( -0.910 -0.000 53.869) 53.876 8.468 ( -1.076 -0.000 -17.852) 17.885 9.336 ( 0.222 0.000 -54.084) 54.084 11.897 ( 2.335 0.000 23.031) 23.149 12.299 ( 1.957 0.000 -16.324) 16.441 13.547 ( -0.913 -0.000 18.802) 18.824 13.938 ( -0.163 -0.000 -17.818) 17.819 15.454 ( 3.846 0.000 43.290) 43.461 16.368 ( 12.050 0.000 -39.637) 41.429 17.138 ( -15.364 -0.000 29.444) 33.211 17.411 ( -4.296 -0.000 -0.979) 4.406 18.510 ( -1.627 -0.000 15.126) 15.214 19.061 ( -2.282 -0.000 -31.552) 31.634 23.450 ( 0.658 0.000 15.102) 15.116 23.763 ( 0.947 0.000 -15.378) 15.407 ======================= Grid point 373 (125/125) ======================= q-point: (-0.44 -0.56 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 2.86e-04 2.86e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( 0.000 11.202 8.538) 14.085 2.454 ( 0.000 10.324 5.233) 11.574 2.733 ( 0.000 6.173 14.237) 15.518 2.804 ( -0.000 -0.969 2.382) 2.572 2.929 ( 0.000 14.047 2.286) 14.231 3.093 ( -0.000 -2.626 5.168) 5.797 3.219 ( 0.000 3.465 -17.389) 17.731 3.299 ( -0.000 -2.042 -13.966) 14.114 3.868 ( 0.000 4.787 9.125) 10.304 4.014 ( -0.000 -2.829 -2.420) 3.723 4.165 ( -0.000 -2.075 0.214) 2.086 4.273 ( -0.000 -6.657 -7.604) 10.106 4.654 ( -0.000 -7.624 5.834) 9.600 4.776 ( -0.000 -8.729 -4.976) 10.047 5.028 ( 0.000 0.860 1.627) 1.840 5.074 ( -0.000 -0.969 -3.042) 3.193 6.417 ( 0.000 2.861 14.038) 14.326 6.611 ( 0.000 2.869 -5.245) 5.979 6.633 ( 0.000 0.156 7.145) 7.146 6.785 ( -0.000 -3.495 -7.365) 8.152 8.131 ( -0.000 -4.064 18.356) 18.800 8.175 ( -0.000 -0.449 58.627) 58.629 8.505 ( -0.000 -5.096 -18.154) 18.856 9.336 ( 0.000 0.222 -53.756) 53.757 11.856 ( 0.000 6.562 23.270) 24.178 12.266 ( 0.000 5.375 -16.802) 17.641 13.540 ( 0.000 0.139 19.001) 19.001 13.936 ( 0.000 0.121 -18.009) 18.009 15.451 ( 0.000 3.016 43.743) 43.847 16.410 ( 0.000 4.206 -47.963) 48.147 17.059 ( -0.000 -2.065 39.495) 39.549 17.398 ( -0.000 -1.489 -1.863) 2.385 18.495 ( 0.000 0.732 15.492) 15.509 19.062 ( -0.000 -1.644 -32.574) 32.616 23.489 ( -0.000 -4.262 14.270) 14.893 23.789 ( -0.000 -2.567 -14.996) 15.214 =================== 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 3/26244 10.0 239.191 217.707 138.954 0.000 0.000 0.000 3/26244 20.0 69.478 60.359 44.721 0.000 0.000 0.000 3/26244 30.0 30.170 26.194 23.032 0.000 0.000 0.000 3/26244 40.0 17.151 15.183 14.151 0.000 0.000 0.000 3/26244 50.0 11.560 10.428 10.069 0.000 0.000 0.000 3/26244 60.0 8.638 7.913 7.962 0.000 0.000 0.000 3/26244 70.0 6.888 6.388 6.802 0.000 0.000 0.000 3/26244 80.0 5.736 5.372 6.152 0.000 0.000 0.000 3/26244 90.0 4.924 4.650 5.790 0.000 0.000 0.000 3/26244 100.0 4.323 4.111 5.592 0.000 0.000 0.000 3/26244 110.0 3.861 3.695 5.485 0.000 0.000 0.000 3/26244 120.0 3.495 3.363 5.424 0.000 0.000 0.000 3/26244 130.0 3.199 3.094 5.383 0.000 0.000 0.000 3/26244 140.0 2.954 2.872 5.347 0.000 0.000 0.000 3/26244 150.0 2.747 2.686 5.309 0.000 0.000 0.000 3/26244 160.0 2.572 2.528 5.265 0.000 0.000 0.000 3/26244 170.0 2.420 2.393 5.213 0.000 0.000 0.000 3/26244 180.0 2.288 2.275 5.154 0.000 0.000 0.000 3/26244 190.0 2.172 2.173 5.088 0.000 0.000 0.000 3/26244 200.0 2.069 2.083 5.017 0.000 0.000 0.000 3/26244 210.0 1.977 2.002 4.942 0.000 0.000 0.000 3/26244 220.0 1.894 1.931 4.863 0.000 0.000 0.000 3/26244 230.0 1.819 1.866 4.782 0.000 0.000 0.000 3/26244 240.0 1.751 1.808 4.700 0.000 0.000 0.000 3/26244 250.0 1.688 1.754 4.616 0.000 0.000 0.000 3/26244 260.0 1.631 1.705 4.533 0.000 0.000 0.000 3/26244 270.0 1.578 1.659 4.449 0.000 0.000 0.000 3/26244 280.0 1.528 1.617 4.367 0.000 0.000 0.000 3/26244 290.0 1.482 1.578 4.285 0.000 0.000 0.000 3/26244 300.0 1.440 1.541 4.205 0.000 0.000 0.000 3/26244 310.0 1.399 1.506 4.126 0.000 0.000 0.000 3/26244 320.0 1.362 1.473 4.048 0.000 0.000 0.000 3/26244 330.0 1.326 1.442 3.972 0.000 0.000 0.000 3/26244 340.0 1.293 1.412 3.898 0.000 0.000 0.000 3/26244 350.0 1.261 1.384 3.826 0.000 0.000 0.000 3/26244 360.0 1.231 1.357 3.755 0.000 0.000 0.000 3/26244 370.0 1.202 1.331 3.687 0.000 0.000 0.000 3/26244 380.0 1.175 1.306 3.620 0.000 0.000 0.000 3/26244 390.0 1.149 1.282 3.555 0.000 0.000 0.000 3/26244 400.0 1.124 1.259 3.491 0.000 0.000 0.000 3/26244 410.0 1.101 1.237 3.430 0.000 0.000 0.000 3/26244 420.0 1.078 1.216 3.370 0.000 0.000 0.000 3/26244 430.0 1.056 1.195 3.312 0.000 0.000 0.000 3/26244 440.0 1.035 1.175 3.255 0.000 0.000 0.000 3/26244 450.0 1.015 1.156 3.200 0.000 0.000 0.000 3/26244 460.0 0.996 1.137 3.147 0.000 0.000 0.000 3/26244 470.0 0.977 1.119 3.095 0.000 0.000 0.000 3/26244 480.0 0.960 1.102 3.044 0.000 0.000 0.000 3/26244 490.0 0.942 1.085 2.995 0.000 0.000 0.000 3/26244 500.0 0.926 1.068 2.947 0.000 0.000 0.000 3/26244 510.0 0.910 1.052 2.901 0.000 0.000 0.000 3/26244 520.0 0.894 1.036 2.856 0.000 0.000 0.000 3/26244 530.0 0.879 1.021 2.812 0.000 0.000 0.000 3/26244 540.0 0.865 1.007 2.769 0.000 0.000 0.000 3/26244 550.0 0.851 0.992 2.727 0.000 0.000 0.000 3/26244 560.0 0.837 0.978 2.687 0.000 0.000 0.000 3/26244 570.0 0.824 0.965 2.648 0.000 0.000 0.000 3/26244 580.0 0.811 0.951 2.609 0.000 0.000 0.000 3/26244 590.0 0.799 0.938 2.572 0.000 0.000 0.000 3/26244 600.0 0.787 0.926 2.535 0.000 0.000 0.000 3/26244 610.0 0.775 0.914 2.500 0.000 0.000 0.000 3/26244 620.0 0.764 0.902 2.465 0.000 0.000 0.000 3/26244 630.0 0.753 0.890 2.432 0.000 0.000 0.000 3/26244 640.0 0.743 0.878 2.399 0.000 0.000 0.000 3/26244 650.0 0.732 0.867 2.367 0.000 0.000 0.000 3/26244 660.0 0.722 0.856 2.336 0.000 0.000 0.000 3/26244 670.0 0.712 0.846 2.305 0.000 0.000 0.000 3/26244 680.0 0.703 0.835 2.275 0.000 0.000 0.000 3/26244 690.0 0.693 0.825 2.246 0.000 0.000 0.000 3/26244 700.0 0.684 0.815 2.218 0.000 0.000 0.000 3/26244 710.0 0.675 0.806 2.190 0.000 0.000 0.000 3/26244 720.0 0.667 0.796 2.163 0.000 0.000 0.000 3/26244 730.0 0.658 0.787 2.137 0.000 0.000 0.000 3/26244 740.0 0.650 0.778 2.111 0.000 0.000 0.000 3/26244 750.0 0.642 0.769 2.086 0.000 0.000 0.000 3/26244 760.0 0.634 0.760 2.061 0.000 0.000 0.000 3/26244 770.0 0.627 0.752 2.037 0.000 0.000 0.000 3/26244 780.0 0.619 0.743 2.013 0.000 0.000 0.000 3/26244 790.0 0.612 0.735 1.990 0.000 0.000 0.000 3/26244 800.0 0.605 0.727 1.968 0.000 0.000 0.000 3/26244 810.0 0.598 0.720 1.946 0.000 0.000 0.000 3/26244 820.0 0.591 0.712 1.924 0.000 0.000 0.000 3/26244 830.0 0.584 0.704 1.903 0.000 0.000 0.000 3/26244 840.0 0.578 0.697 1.882 0.000 0.000 0.000 3/26244 850.0 0.572 0.690 1.862 0.000 0.000 0.000 3/26244 860.0 0.565 0.683 1.842 0.000 0.000 0.000 3/26244 870.0 0.559 0.676 1.823 0.000 0.000 0.000 3/26244 880.0 0.553 0.669 1.804 0.000 0.000 0.000 3/26244 890.0 0.547 0.662 1.785 0.000 0.000 0.000 3/26244 900.0 0.542 0.656 1.767 0.000 0.000 0.000 3/26244 910.0 0.536 0.649 1.749 0.000 0.000 0.000 3/26244 920.0 0.531 0.643 1.731 0.000 0.000 0.000 3/26244 930.0 0.525 0.637 1.714 0.000 0.000 0.000 3/26244 940.0 0.520 0.631 1.697 0.000 0.000 0.000 3/26244 950.0 0.515 0.625 1.680 0.000 0.000 0.000 3/26244 960.0 0.510 0.619 1.664 0.000 0.000 0.000 3/26244 970.0 0.505 0.613 1.648 0.000 0.000 0.000 3/26244 980.0 0.500 0.608 1.632 0.000 0.000 0.000 3/26244 990.0 0.495 0.602 1.617 0.000 0.000 0.000 3/26244 1000.0 0.490 0.597 1.602 0.000 0.000 0.000 3/26244 Thermal conductivity related properties were written into "kappa-m999.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:15:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|