----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:07:03]------------------------- 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: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_12_12 (92) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.046379870000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.046379870000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.038760240000000 Atomic positions (fractional): *1 O 0.90135411879619 0.75977342770937 0.32345959677508 15.999 2 O 0.09864588120381 0.24022657229063 0.82345959677508 15.999 3 O 0.75977342770937 0.90135411879619 0.67654040322492 15.999 4 O 0.25977342770937 0.59864588120381 0.07345959677508 15.999 5 O 0.24022657229063 0.09864588120381 0.17654040322492 15.999 6 O 0.40135411879619 0.74022657229063 0.42654040322492 15.999 7 O 0.59864588120381 0.25977342770937 0.92654040322492 15.999 8 O 0.74022657229063 0.40135411879619 0.57345959677508 15.999 *9 Si 0.70328397573972 0.70328397573972 0.50000000000000 28.085 10 Si 0.79671602426028 0.20328397573972 0.75000000000000 28.085 11 Si 0.20328397573972 0.79671602426028 0.25000000000000 28.085 12 Si 0.29671602426028 0.29671602426028 0.00000000000000 28.085 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.046379870000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.046379870000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.038760240000000 Atomic positions (fractional): *1 O 0.90135411879619 0.75977342770937 0.32345959677508 15.999 > 1 2 O 0.09864588120381 0.24022657229063 0.82345959677508 15.999 > 2 3 O 0.75977342770937 0.90135411879619 0.67654040322492 15.999 > 3 4 O 0.25977342770937 0.59864588120381 0.07345959677508 15.999 > 4 5 O 0.24022657229063 0.09864588120381 0.17654040322492 15.999 > 5 6 O 0.40135411879619 0.74022657229063 0.42654040322492 15.999 > 6 7 O 0.59864588120381 0.25977342770937 0.92654040322492 15.999 > 7 8 O 0.74022657229063 0.40135411879619 0.57345959677508 15.999 > 8 *9 Si 0.70328397573972 0.70328397573972 0.50000000000000 28.085 > 9 10 Si 0.79671602426028 0.20328397573972 0.75000000000000 28.085 > 10 11 Si 0.20328397573972 0.79671602426028 0.25000000000000 28.085 > 11 12 Si 0.29671602426028 0.29671602426028 0.00000000000000 28.085 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.092759740000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.092759740000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.077520480000000 Atomic positions (fractional): *1 O 0.45067705939809 0.37988671385468 0.16172979838754 15.999 > 1 2 O 0.95067705939809 0.37988671385468 0.16172979838754 15.999 > 1 3 O 0.45067705939809 0.87988671385468 0.16172979838754 15.999 > 1 4 O 0.95067705939809 0.87988671385468 0.16172979838754 15.999 > 1 5 O 0.45067705939809 0.37988671385468 0.66172979838754 15.999 > 1 6 O 0.95067705939809 0.37988671385468 0.66172979838754 15.999 > 1 7 O 0.45067705939809 0.87988671385468 0.66172979838754 15.999 > 1 8 O 0.95067705939809 0.87988671385468 0.66172979838754 15.999 > 1 9 O 0.04932294060191 0.12011328614532 0.41172979838754 15.999 > 2 10 O 0.54932294060191 0.12011328614532 0.41172979838754 15.999 > 2 11 O 0.04932294060191 0.62011328614532 0.41172979838754 15.999 > 2 12 O 0.54932294060191 0.62011328614532 0.41172979838754 15.999 > 2 13 O 0.04932294060191 0.12011328614532 0.91172979838754 15.999 > 2 14 O 0.54932294060191 0.12011328614532 0.91172979838754 15.999 > 2 15 O 0.04932294060191 0.62011328614532 0.91172979838754 15.999 > 2 16 O 0.54932294060191 0.62011328614532 0.91172979838754 15.999 > 2 17 O 0.37988671385468 0.45067705939809 0.33827020161246 15.999 > 3 18 O 0.87988671385468 0.45067705939809 0.33827020161246 15.999 > 3 19 O 0.37988671385468 0.95067705939809 0.33827020161246 15.999 > 3 20 O 0.87988671385468 0.95067705939809 0.33827020161246 15.999 > 3 21 O 0.37988671385468 0.45067705939809 0.83827020161246 15.999 > 3 22 O 0.87988671385468 0.45067705939809 0.83827020161246 15.999 > 3 23 O 0.37988671385468 0.95067705939809 0.83827020161246 15.999 > 3 24 O 0.87988671385468 0.95067705939809 0.83827020161246 15.999 > 3 25 O 0.12988671385468 0.29932294060191 0.03672979838754 15.999 > 4 26 O 0.62988671385468 0.29932294060191 0.03672979838754 15.999 > 4 27 O 0.12988671385468 0.79932294060191 0.03672979838754 15.999 > 4 28 O 0.62988671385468 0.79932294060191 0.03672979838754 15.999 > 4 29 O 0.12988671385468 0.29932294060191 0.53672979838754 15.999 > 4 30 O 0.62988671385468 0.29932294060191 0.53672979838754 15.999 > 4 31 O 0.12988671385468 0.79932294060191 0.53672979838754 15.999 > 4 32 O 0.62988671385468 0.79932294060191 0.53672979838754 15.999 > 4 33 O 0.12011328614532 0.04932294060191 0.08827020161246 15.999 > 5 34 O 0.62011328614532 0.04932294060191 0.08827020161246 15.999 > 5 35 O 0.12011328614532 0.54932294060191 0.08827020161246 15.999 > 5 36 O 0.62011328614532 0.54932294060191 0.08827020161246 15.999 > 5 37 O 0.12011328614532 0.04932294060191 0.58827020161246 15.999 > 5 38 O 0.62011328614532 0.04932294060191 0.58827020161246 15.999 > 5 39 O 0.12011328614532 0.54932294060191 0.58827020161246 15.999 > 5 40 O 0.62011328614532 0.54932294060191 0.58827020161246 15.999 > 5 41 O 0.20067705939809 0.37011328614532 0.21327020161246 15.999 > 6 42 O 0.70067705939809 0.37011328614532 0.21327020161246 15.999 > 6 43 O 0.20067705939809 0.87011328614532 0.21327020161246 15.999 > 6 44 O 0.70067705939809 0.87011328614532 0.21327020161246 15.999 > 6 45 O 0.20067705939809 0.37011328614532 0.71327020161246 15.999 > 6 46 O 0.70067705939809 0.37011328614532 0.71327020161246 15.999 > 6 47 O 0.20067705939809 0.87011328614532 0.71327020161246 15.999 > 6 48 O 0.70067705939809 0.87011328614532 0.71327020161246 15.999 > 6 49 O 0.29932294060191 0.12988671385468 0.46327020161246 15.999 > 7 50 O 0.79932294060191 0.12988671385468 0.46327020161246 15.999 > 7 51 O 0.29932294060191 0.62988671385468 0.46327020161246 15.999 > 7 52 O 0.79932294060191 0.62988671385468 0.46327020161246 15.999 > 7 53 O 0.29932294060191 0.12988671385468 0.96327020161246 15.999 > 7 54 O 0.79932294060191 0.12988671385468 0.96327020161246 15.999 > 7 55 O 0.29932294060191 0.62988671385468 0.96327020161246 15.999 > 7 56 O 0.79932294060191 0.62988671385468 0.96327020161246 15.999 > 7 57 O 0.37011328614532 0.20067705939809 0.28672979838754 15.999 > 8 58 O 0.87011328614532 0.20067705939809 0.28672979838754 15.999 > 8 59 O 0.37011328614532 0.70067705939809 0.28672979838754 15.999 > 8 60 O 0.87011328614532 0.70067705939809 0.28672979838754 15.999 > 8 61 O 0.37011328614532 0.20067705939809 0.78672979838754 15.999 > 8 62 O 0.87011328614532 0.20067705939809 0.78672979838754 15.999 > 8 63 O 0.37011328614532 0.70067705939809 0.78672979838754 15.999 > 8 64 O 0.87011328614532 0.70067705939809 0.78672979838754 15.999 > 8 *65 Si 0.35164198786986 0.35164198786986 0.25000000000000 28.085 > 9 66 Si 0.85164198786986 0.35164198786986 0.25000000000000 28.085 > 9 67 Si 0.35164198786986 0.85164198786986 0.25000000000000 28.085 > 9 68 Si 0.85164198786986 0.85164198786986 0.25000000000000 28.085 > 9 69 Si 0.35164198786986 0.35164198786986 0.75000000000000 28.085 > 9 70 Si 0.85164198786986 0.35164198786986 0.75000000000000 28.085 > 9 71 Si 0.35164198786986 0.85164198786986 0.75000000000000 28.085 > 9 72 Si 0.85164198786986 0.85164198786986 0.75000000000000 28.085 > 9 73 Si 0.39835801213014 0.10164198786986 0.37500000000000 28.085 > 10 74 Si 0.89835801213014 0.10164198786986 0.37500000000000 28.085 > 10 75 Si 0.39835801213014 0.60164198786986 0.37500000000000 28.085 > 10 76 Si 0.89835801213014 0.60164198786986 0.37500000000000 28.085 > 10 77 Si 0.39835801213014 0.10164198786986 0.87500000000000 28.085 > 10 78 Si 0.89835801213014 0.10164198786986 0.87500000000000 28.085 > 10 79 Si 0.39835801213014 0.60164198786986 0.87500000000000 28.085 > 10 80 Si 0.89835801213014 0.60164198786986 0.87500000000000 28.085 > 10 81 Si 0.10164198786986 0.39835801213014 0.12500000000000 28.085 > 11 82 Si 0.60164198786986 0.39835801213014 0.12500000000000 28.085 > 11 83 Si 0.10164198786986 0.89835801213014 0.12500000000000 28.085 > 11 84 Si 0.60164198786986 0.89835801213014 0.12500000000000 28.085 > 11 85 Si 0.10164198786986 0.39835801213014 0.62500000000000 28.085 > 11 86 Si 0.60164198786986 0.39835801213014 0.62500000000000 28.085 > 11 87 Si 0.10164198786986 0.89835801213014 0.62500000000000 28.085 > 11 88 Si 0.60164198786986 0.89835801213014 0.62500000000000 28.085 > 11 89 Si 0.14835801213014 0.14835801213014 0.00000000000000 28.085 > 12 90 Si 0.64835801213014 0.14835801213014 0.00000000000000 28.085 > 12 91 Si 0.14835801213014 0.64835801213014 0.00000000000000 28.085 > 12 92 Si 0.64835801213014 0.64835801213014 0.00000000000000 28.085 > 12 93 Si 0.14835801213014 0.14835801213014 0.50000000000000 28.085 > 12 94 Si 0.64835801213014 0.14835801213014 0.50000000000000 28.085 > 12 95 Si 0.14835801213014 0.64835801213014 0.50000000000000 28.085 > 12 96 Si 0.64835801213014 0.64835801213014 0.50000000000000 28.085 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.2559905 0.0000000 0.0000000 0.0000000 2.2559905 0.0000000 0.0000000 0.0000000 2.2446039 -------------------------- Born effective charges -------------------------- 1 O -2.3056356 -0.2061759 0.8334019 -0.1458786 -1.0300600 0.0601050 0.8317348 0.1983183 -1.6463313 2 O -2.3056356 -0.2061759 -0.8334019 -0.1458786 -1.0300600 -0.0601050 -0.8317348 -0.1983183 -1.6463313 3 O -1.0300600 -0.1458786 -0.0601050 -0.2061759 -2.3056356 -0.8334019 -0.1983183 -0.8317348 -1.6463313 4 O -1.0300600 0.1458786 0.0601050 0.2061759 -2.3056356 -0.8334019 0.1983183 -0.8317348 -1.6463313 5 O -1.0300600 -0.1458786 0.0601050 -0.2061759 -2.3056356 0.8334019 0.1983183 0.8317348 -1.6463313 6 O -2.3056356 0.2061759 -0.8334019 0.1458786 -1.0300600 0.0601050 -0.8317348 0.1983183 -1.6463313 7 O -2.3056356 0.2061759 0.8334019 0.1458786 -1.0300600 -0.0601050 0.8317348 -0.1983183 -1.6463313 8 O -1.0300600 0.1458786 -0.0601050 0.2061759 -2.3056356 0.8334019 -0.1983183 0.8317348 -1.6463313 9 Si 3.3356956 0.0213987 -0.1938064 0.0213987 3.3356956 0.1938064 0.3380315 -0.3380315 3.2926626 10 Si 3.3356956 -0.0213987 -0.1938064 -0.0213987 3.3356956 -0.1938064 0.3380315 0.3380315 3.2926626 11 Si 3.3356956 -0.0213987 0.1938064 -0.0213987 3.3356956 0.1938064 -0.3380315 -0.3380315 3.2926626 12 Si 3.3356956 0.0213987 0.1938064 0.0213987 3.3356956 -0.1938064 -0.3380315 0.3380315 3.2926626 ---------------------------------------------------------------------------- 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: 5544/5544 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 685 Number of blocks in projector: 685 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 156 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 156 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 85 Use standard eigh solver. Tree of FC basis block matrices: - (685, 671), data: False |-- (85, 83), data: True |-- (156, 153), data: True |-- (156, 153), data: True |-- (288, 282), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 240 - Time: 0.560 Solver_block: 200 / 240 - Time: 0.549 Solver_block: 240 / 240 - Time: 0.334 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.519 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yz) 0.00000000 (yz) Permutation basis: 288/288 Permutation basis: 5544/5544 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 685 Number of blocks in projector: 685 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 156 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 156 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 85 Use standard eigh solver. Tree of FC basis block matrices: - (685, 671), data: False |-- (85, 83), data: True |-- (156, 153), data: True |-- (156, 153), data: True |-- (288, 282), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yz) 0.00000000 (yz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:07:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:07:16]------------------------- 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): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_12_12 (92) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.046379870000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.046379870000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.038760240000000 Atomic positions (fractional): 1 O 0.90135411879619 0.75977342770937 0.32345959677508 15.999 2 O 0.09864588120381 0.24022657229063 0.82345959677508 15.999 3 O 0.75977342770937 0.90135411879619 0.67654040322492 15.999 4 O 0.25977342770937 0.59864588120381 0.07345959677508 15.999 5 O 0.24022657229063 0.09864588120381 0.17654040322492 15.999 6 O 0.40135411879619 0.74022657229063 0.42654040322492 15.999 7 O 0.59864588120381 0.25977342770937 0.92654040322492 15.999 8 O 0.74022657229063 0.40135411879619 0.57345959677508 15.999 9 Si 0.70328397573972 0.70328397573972 0.50000000000000 28.085 10 Si 0.79671602426028 0.20328397573972 0.75000000000000 28.085 11 Si 0.20328397573972 0.79671602426028 0.25000000000000 28.085 12 Si 0.29671602426028 0.29671602426028 0.00000000000000 28.085 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.092759740000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.092759740000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.077520480000000 Atomic positions (fractional): 1 O 0.45067705939809 0.37988671385468 0.16172979838754 15.999 > 1 2 O 0.95067705939809 0.37988671385468 0.16172979838754 15.999 > 1 3 O 0.45067705939809 0.87988671385468 0.16172979838754 15.999 > 1 4 O 0.95067705939809 0.87988671385468 0.16172979838754 15.999 > 1 5 O 0.45067705939809 0.37988671385468 0.66172979838754 15.999 > 1 6 O 0.95067705939809 0.37988671385468 0.66172979838754 15.999 > 1 7 O 0.45067705939809 0.87988671385468 0.66172979838754 15.999 > 1 8 O 0.95067705939809 0.87988671385468 0.66172979838754 15.999 > 1 9 O 0.04932294060191 0.12011328614532 0.41172979838754 15.999 > 9 10 O 0.54932294060191 0.12011328614532 0.41172979838754 15.999 > 9 11 O 0.04932294060191 0.62011328614532 0.41172979838754 15.999 > 9 12 O 0.54932294060191 0.62011328614532 0.41172979838754 15.999 > 9 13 O 0.04932294060191 0.12011328614532 0.91172979838754 15.999 > 9 14 O 0.54932294060191 0.12011328614532 0.91172979838754 15.999 > 9 15 O 0.04932294060191 0.62011328614532 0.91172979838754 15.999 > 9 16 O 0.54932294060191 0.62011328614532 0.91172979838754 15.999 > 9 17 O 0.37988671385468 0.45067705939809 0.33827020161246 15.999 > 17 18 O 0.87988671385468 0.45067705939809 0.33827020161246 15.999 > 17 19 O 0.37988671385468 0.95067705939809 0.33827020161246 15.999 > 17 20 O 0.87988671385468 0.95067705939809 0.33827020161246 15.999 > 17 21 O 0.37988671385468 0.45067705939809 0.83827020161246 15.999 > 17 22 O 0.87988671385468 0.45067705939809 0.83827020161246 15.999 > 17 23 O 0.37988671385468 0.95067705939809 0.83827020161246 15.999 > 17 24 O 0.87988671385468 0.95067705939809 0.83827020161246 15.999 > 17 25 O 0.12988671385468 0.29932294060191 0.03672979838754 15.999 > 25 26 O 0.62988671385468 0.29932294060191 0.03672979838754 15.999 > 25 27 O 0.12988671385468 0.79932294060191 0.03672979838754 15.999 > 25 28 O 0.62988671385468 0.79932294060191 0.03672979838754 15.999 > 25 29 O 0.12988671385468 0.29932294060191 0.53672979838754 15.999 > 25 30 O 0.62988671385468 0.29932294060191 0.53672979838754 15.999 > 25 31 O 0.12988671385468 0.79932294060191 0.53672979838754 15.999 > 25 32 O 0.62988671385468 0.79932294060191 0.53672979838754 15.999 > 25 33 O 0.12011328614532 0.04932294060191 0.08827020161246 15.999 > 33 34 O 0.62011328614532 0.04932294060191 0.08827020161246 15.999 > 33 35 O 0.12011328614532 0.54932294060191 0.08827020161246 15.999 > 33 36 O 0.62011328614532 0.54932294060191 0.08827020161246 15.999 > 33 37 O 0.12011328614532 0.04932294060191 0.58827020161246 15.999 > 33 38 O 0.62011328614532 0.04932294060191 0.58827020161246 15.999 > 33 39 O 0.12011328614532 0.54932294060191 0.58827020161246 15.999 > 33 40 O 0.62011328614532 0.54932294060191 0.58827020161246 15.999 > 33 41 O 0.20067705939809 0.37011328614532 0.21327020161246 15.999 > 41 42 O 0.70067705939809 0.37011328614532 0.21327020161246 15.999 > 41 43 O 0.20067705939809 0.87011328614532 0.21327020161246 15.999 > 41 44 O 0.70067705939809 0.87011328614532 0.21327020161246 15.999 > 41 45 O 0.20067705939809 0.37011328614532 0.71327020161246 15.999 > 41 46 O 0.70067705939809 0.37011328614532 0.71327020161246 15.999 > 41 47 O 0.20067705939809 0.87011328614532 0.71327020161246 15.999 > 41 48 O 0.70067705939809 0.87011328614532 0.71327020161246 15.999 > 41 49 O 0.29932294060191 0.12988671385468 0.46327020161246 15.999 > 49 50 O 0.79932294060191 0.12988671385468 0.46327020161246 15.999 > 49 51 O 0.29932294060191 0.62988671385468 0.46327020161246 15.999 > 49 52 O 0.79932294060191 0.62988671385468 0.46327020161246 15.999 > 49 53 O 0.29932294060191 0.12988671385468 0.96327020161246 15.999 > 49 54 O 0.79932294060191 0.12988671385468 0.96327020161246 15.999 > 49 55 O 0.29932294060191 0.62988671385468 0.96327020161246 15.999 > 49 56 O 0.79932294060191 0.62988671385468 0.96327020161246 15.999 > 49 57 O 0.37011328614532 0.20067705939809 0.28672979838754 15.999 > 57 58 O 0.87011328614532 0.20067705939809 0.28672979838754 15.999 > 57 59 O 0.37011328614532 0.70067705939809 0.28672979838754 15.999 > 57 60 O 0.87011328614532 0.70067705939809 0.28672979838754 15.999 > 57 61 O 0.37011328614532 0.20067705939809 0.78672979838754 15.999 > 57 62 O 0.87011328614532 0.20067705939809 0.78672979838754 15.999 > 57 63 O 0.37011328614532 0.70067705939809 0.78672979838754 15.999 > 57 64 O 0.87011328614532 0.70067705939809 0.78672979838754 15.999 > 57 65 Si 0.35164198786986 0.35164198786986 0.25000000000000 28.085 > 65 66 Si 0.85164198786986 0.35164198786986 0.25000000000000 28.085 > 65 67 Si 0.35164198786986 0.85164198786986 0.25000000000000 28.085 > 65 68 Si 0.85164198786986 0.85164198786986 0.25000000000000 28.085 > 65 69 Si 0.35164198786986 0.35164198786986 0.75000000000000 28.085 > 65 70 Si 0.85164198786986 0.35164198786986 0.75000000000000 28.085 > 65 71 Si 0.35164198786986 0.85164198786986 0.75000000000000 28.085 > 65 72 Si 0.85164198786986 0.85164198786986 0.75000000000000 28.085 > 65 73 Si 0.39835801213014 0.10164198786986 0.37500000000000 28.085 > 73 74 Si 0.89835801213014 0.10164198786986 0.37500000000000 28.085 > 73 75 Si 0.39835801213014 0.60164198786986 0.37500000000000 28.085 > 73 76 Si 0.89835801213014 0.60164198786986 0.37500000000000 28.085 > 73 77 Si 0.39835801213014 0.10164198786986 0.87500000000000 28.085 > 73 78 Si 0.89835801213014 0.10164198786986 0.87500000000000 28.085 > 73 79 Si 0.39835801213014 0.60164198786986 0.87500000000000 28.085 > 73 80 Si 0.89835801213014 0.60164198786986 0.87500000000000 28.085 > 73 81 Si 0.10164198786986 0.39835801213014 0.12500000000000 28.085 > 81 82 Si 0.60164198786986 0.39835801213014 0.12500000000000 28.085 > 81 83 Si 0.10164198786986 0.89835801213014 0.12500000000000 28.085 > 81 84 Si 0.60164198786986 0.89835801213014 0.12500000000000 28.085 > 81 85 Si 0.10164198786986 0.39835801213014 0.62500000000000 28.085 > 81 86 Si 0.60164198786986 0.39835801213014 0.62500000000000 28.085 > 81 87 Si 0.10164198786986 0.89835801213014 0.62500000000000 28.085 > 81 88 Si 0.60164198786986 0.89835801213014 0.62500000000000 28.085 > 81 89 Si 0.14835801213014 0.14835801213014 0.00000000000000 28.085 > 89 90 Si 0.64835801213014 0.14835801213014 0.00000000000000 28.085 > 89 91 Si 0.14835801213014 0.64835801213014 0.00000000000000 28.085 > 89 92 Si 0.64835801213014 0.64835801213014 0.00000000000000 28.085 > 89 93 Si 0.14835801213014 0.14835801213014 0.50000000000000 28.085 > 89 94 Si 0.64835801213014 0.14835801213014 0.50000000000000 28.085 > 89 95 Si 0.14835801213014 0.64835801213014 0.50000000000000 28.085 > 89 96 Si 0.64835801213014 0.64835801213014 0.50000000000000 28.085 > 89 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.2559905 0.0000000 0.0000000 0.0000000 2.2559905 0.0000000 0.0000000 0.0000000 2.2446039 -------------------------- Born effective charges -------------------------- 1 O -2.3056356 -0.2061759 0.8334019 -0.1458786 -1.0300600 0.0601050 0.8317348 0.1983183 -1.6463313 2 O -2.3056356 -0.2061759 -0.8334019 -0.1458786 -1.0300600 -0.0601050 -0.8317348 -0.1983183 -1.6463313 3 O -1.0300600 -0.1458786 -0.0601050 -0.2061759 -2.3056356 -0.8334019 -0.1983183 -0.8317348 -1.6463313 4 O -1.0300600 0.1458786 0.0601050 0.2061759 -2.3056356 -0.8334019 0.1983183 -0.8317348 -1.6463313 5 O -1.0300600 -0.1458786 0.0601050 -0.2061759 -2.3056356 0.8334019 0.1983183 0.8317348 -1.6463313 6 O -2.3056356 0.2061759 -0.8334019 0.1458786 -1.0300600 0.0601050 -0.8317348 0.1983183 -1.6463313 7 O -2.3056356 0.2061759 0.8334019 0.1458786 -1.0300600 -0.0601050 0.8317348 -0.1983183 -1.6463313 8 O -1.0300600 0.1458786 -0.0601050 0.2061759 -2.3056356 0.8334019 -0.1983183 0.8317348 -1.6463313 9 Si 3.3356956 0.0213987 -0.1938064 0.0213987 3.3356956 0.1938064 0.3380315 -0.3380315 3.2926626 10 Si 3.3356956 -0.0213987 -0.1938064 -0.0213987 3.3356956 -0.1938064 0.3380315 0.3380315 3.2926626 11 Si 3.3356956 -0.0213987 0.1938064 -0.0213987 3.3356956 0.1938064 -0.3380315 -0.3380315 3.2926626 12 Si 3.3356956 0.0213987 0.1938064 0.0213987 3.3356956 -0.1938064 -0.3380315 0.3380315 3.2926626 ---------------------------------------------------------------------------- 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[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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: -0.00000038 (xxx) -0.00000038 (xxx) -0.00000038 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000008 (zx) -0.00000008 (zx) 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 2026-01-07 22:07:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:07:24]------------------------- 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): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_12_12 (92) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.046379870000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.046379870000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.038760240000000 Atomic positions (fractional): 1 O 0.90135411879619 0.75977342770937 0.32345959677508 15.999 2 O 0.09864588120381 0.24022657229063 0.82345959677508 15.999 3 O 0.75977342770937 0.90135411879619 0.67654040322492 15.999 4 O 0.25977342770937 0.59864588120381 0.07345959677508 15.999 5 O 0.24022657229063 0.09864588120381 0.17654040322492 15.999 6 O 0.40135411879619 0.74022657229063 0.42654040322492 15.999 7 O 0.59864588120381 0.25977342770937 0.92654040322492 15.999 8 O 0.74022657229063 0.40135411879619 0.57345959677508 15.999 9 Si 0.70328397573972 0.70328397573972 0.50000000000000 28.085 10 Si 0.79671602426028 0.20328397573972 0.75000000000000 28.085 11 Si 0.20328397573972 0.79671602426028 0.25000000000000 28.085 12 Si 0.29671602426028 0.29671602426028 0.00000000000000 28.085 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.092759740000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.092759740000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.077520480000000 Atomic positions (fractional): 1 O 0.45067705939809 0.37988671385468 0.16172979838754 15.999 > 1 2 O 0.95067705939809 0.37988671385468 0.16172979838754 15.999 > 1 3 O 0.45067705939809 0.87988671385468 0.16172979838754 15.999 > 1 4 O 0.95067705939809 0.87988671385468 0.16172979838754 15.999 > 1 5 O 0.45067705939809 0.37988671385468 0.66172979838754 15.999 > 1 6 O 0.95067705939809 0.37988671385468 0.66172979838754 15.999 > 1 7 O 0.45067705939809 0.87988671385468 0.66172979838754 15.999 > 1 8 O 0.95067705939809 0.87988671385468 0.66172979838754 15.999 > 1 9 O 0.04932294060191 0.12011328614532 0.41172979838754 15.999 > 9 10 O 0.54932294060191 0.12011328614532 0.41172979838754 15.999 > 9 11 O 0.04932294060191 0.62011328614532 0.41172979838754 15.999 > 9 12 O 0.54932294060191 0.62011328614532 0.41172979838754 15.999 > 9 13 O 0.04932294060191 0.12011328614532 0.91172979838754 15.999 > 9 14 O 0.54932294060191 0.12011328614532 0.91172979838754 15.999 > 9 15 O 0.04932294060191 0.62011328614532 0.91172979838754 15.999 > 9 16 O 0.54932294060191 0.62011328614532 0.91172979838754 15.999 > 9 17 O 0.37988671385468 0.45067705939809 0.33827020161246 15.999 > 17 18 O 0.87988671385468 0.45067705939809 0.33827020161246 15.999 > 17 19 O 0.37988671385468 0.95067705939809 0.33827020161246 15.999 > 17 20 O 0.87988671385468 0.95067705939809 0.33827020161246 15.999 > 17 21 O 0.37988671385468 0.45067705939809 0.83827020161246 15.999 > 17 22 O 0.87988671385468 0.45067705939809 0.83827020161246 15.999 > 17 23 O 0.37988671385468 0.95067705939809 0.83827020161246 15.999 > 17 24 O 0.87988671385468 0.95067705939809 0.83827020161246 15.999 > 17 25 O 0.12988671385468 0.29932294060191 0.03672979838754 15.999 > 25 26 O 0.62988671385468 0.29932294060191 0.03672979838754 15.999 > 25 27 O 0.12988671385468 0.79932294060191 0.03672979838754 15.999 > 25 28 O 0.62988671385468 0.79932294060191 0.03672979838754 15.999 > 25 29 O 0.12988671385468 0.29932294060191 0.53672979838754 15.999 > 25 30 O 0.62988671385468 0.29932294060191 0.53672979838754 15.999 > 25 31 O 0.12988671385468 0.79932294060191 0.53672979838754 15.999 > 25 32 O 0.62988671385468 0.79932294060191 0.53672979838754 15.999 > 25 33 O 0.12011328614532 0.04932294060191 0.08827020161246 15.999 > 33 34 O 0.62011328614532 0.04932294060191 0.08827020161246 15.999 > 33 35 O 0.12011328614532 0.54932294060191 0.08827020161246 15.999 > 33 36 O 0.62011328614532 0.54932294060191 0.08827020161246 15.999 > 33 37 O 0.12011328614532 0.04932294060191 0.58827020161246 15.999 > 33 38 O 0.62011328614532 0.04932294060191 0.58827020161246 15.999 > 33 39 O 0.12011328614532 0.54932294060191 0.58827020161246 15.999 > 33 40 O 0.62011328614532 0.54932294060191 0.58827020161246 15.999 > 33 41 O 0.20067705939809 0.37011328614532 0.21327020161246 15.999 > 41 42 O 0.70067705939809 0.37011328614532 0.21327020161246 15.999 > 41 43 O 0.20067705939809 0.87011328614532 0.21327020161246 15.999 > 41 44 O 0.70067705939809 0.87011328614532 0.21327020161246 15.999 > 41 45 O 0.20067705939809 0.37011328614532 0.71327020161246 15.999 > 41 46 O 0.70067705939809 0.37011328614532 0.71327020161246 15.999 > 41 47 O 0.20067705939809 0.87011328614532 0.71327020161246 15.999 > 41 48 O 0.70067705939809 0.87011328614532 0.71327020161246 15.999 > 41 49 O 0.29932294060191 0.12988671385468 0.46327020161246 15.999 > 49 50 O 0.79932294060191 0.12988671385468 0.46327020161246 15.999 > 49 51 O 0.29932294060191 0.62988671385468 0.46327020161246 15.999 > 49 52 O 0.79932294060191 0.62988671385468 0.46327020161246 15.999 > 49 53 O 0.29932294060191 0.12988671385468 0.96327020161246 15.999 > 49 54 O 0.79932294060191 0.12988671385468 0.96327020161246 15.999 > 49 55 O 0.29932294060191 0.62988671385468 0.96327020161246 15.999 > 49 56 O 0.79932294060191 0.62988671385468 0.96327020161246 15.999 > 49 57 O 0.37011328614532 0.20067705939809 0.28672979838754 15.999 > 57 58 O 0.87011328614532 0.20067705939809 0.28672979838754 15.999 > 57 59 O 0.37011328614532 0.70067705939809 0.28672979838754 15.999 > 57 60 O 0.87011328614532 0.70067705939809 0.28672979838754 15.999 > 57 61 O 0.37011328614532 0.20067705939809 0.78672979838754 15.999 > 57 62 O 0.87011328614532 0.20067705939809 0.78672979838754 15.999 > 57 63 O 0.37011328614532 0.70067705939809 0.78672979838754 15.999 > 57 64 O 0.87011328614532 0.70067705939809 0.78672979838754 15.999 > 57 65 Si 0.35164198786986 0.35164198786986 0.25000000000000 28.085 > 65 66 Si 0.85164198786986 0.35164198786986 0.25000000000000 28.085 > 65 67 Si 0.35164198786986 0.85164198786986 0.25000000000000 28.085 > 65 68 Si 0.85164198786986 0.85164198786986 0.25000000000000 28.085 > 65 69 Si 0.35164198786986 0.35164198786986 0.75000000000000 28.085 > 65 70 Si 0.85164198786986 0.35164198786986 0.75000000000000 28.085 > 65 71 Si 0.35164198786986 0.85164198786986 0.75000000000000 28.085 > 65 72 Si 0.85164198786986 0.85164198786986 0.75000000000000 28.085 > 65 73 Si 0.39835801213014 0.10164198786986 0.37500000000000 28.085 > 73 74 Si 0.89835801213014 0.10164198786986 0.37500000000000 28.085 > 73 75 Si 0.39835801213014 0.60164198786986 0.37500000000000 28.085 > 73 76 Si 0.89835801213014 0.60164198786986 0.37500000000000 28.085 > 73 77 Si 0.39835801213014 0.10164198786986 0.87500000000000 28.085 > 73 78 Si 0.89835801213014 0.10164198786986 0.87500000000000 28.085 > 73 79 Si 0.39835801213014 0.60164198786986 0.87500000000000 28.085 > 73 80 Si 0.89835801213014 0.60164198786986 0.87500000000000 28.085 > 73 81 Si 0.10164198786986 0.39835801213014 0.12500000000000 28.085 > 81 82 Si 0.60164198786986 0.39835801213014 0.12500000000000 28.085 > 81 83 Si 0.10164198786986 0.89835801213014 0.12500000000000 28.085 > 81 84 Si 0.60164198786986 0.89835801213014 0.12500000000000 28.085 > 81 85 Si 0.10164198786986 0.39835801213014 0.62500000000000 28.085 > 81 86 Si 0.60164198786986 0.39835801213014 0.62500000000000 28.085 > 81 87 Si 0.10164198786986 0.89835801213014 0.62500000000000 28.085 > 81 88 Si 0.60164198786986 0.89835801213014 0.62500000000000 28.085 > 81 89 Si 0.14835801213014 0.14835801213014 0.00000000000000 28.085 > 89 90 Si 0.64835801213014 0.14835801213014 0.00000000000000 28.085 > 89 91 Si 0.14835801213014 0.64835801213014 0.00000000000000 28.085 > 89 92 Si 0.64835801213014 0.64835801213014 0.00000000000000 28.085 > 89 93 Si 0.14835801213014 0.14835801213014 0.50000000000000 28.085 > 89 94 Si 0.64835801213014 0.14835801213014 0.50000000000000 28.085 > 89 95 Si 0.14835801213014 0.64835801213014 0.50000000000000 28.085 > 89 96 Si 0.64835801213014 0.64835801213014 0.50000000000000 28.085 > 89 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.2559905 0.0000000 0.0000000 0.0000000 2.2559905 0.0000000 0.0000000 0.0000000 2.2446039 -------------------------- Born effective charges -------------------------- 1 O -2.3056356 -0.2061759 0.8334019 -0.1458786 -1.0300600 0.0601050 0.8317348 0.1983183 -1.6463313 2 O -2.3056356 -0.2061759 -0.8334019 -0.1458786 -1.0300600 -0.0601050 -0.8317348 -0.1983183 -1.6463313 3 O -1.0300600 -0.1458786 -0.0601050 -0.2061759 -2.3056356 -0.8334019 -0.1983183 -0.8317348 -1.6463313 4 O -1.0300600 0.1458786 0.0601050 0.2061759 -2.3056356 -0.8334019 0.1983183 -0.8317348 -1.6463313 5 O -1.0300600 -0.1458786 0.0601050 -0.2061759 -2.3056356 0.8334019 0.1983183 0.8317348 -1.6463313 6 O -2.3056356 0.2061759 -0.8334019 0.1458786 -1.0300600 0.0601050 -0.8317348 0.1983183 -1.6463313 7 O -2.3056356 0.2061759 0.8334019 0.1458786 -1.0300600 -0.0601050 0.8317348 -0.1983183 -1.6463313 8 O -1.0300600 0.1458786 -0.0601050 0.2061759 -2.3056356 0.8334019 -0.1983183 0.8317348 -1.6463313 9 Si 3.3356956 0.0213987 -0.1938064 0.0213987 3.3356956 0.1938064 0.3380315 -0.3380315 3.2926626 10 Si 3.3356956 -0.0213987 -0.1938064 -0.0213987 3.3356956 -0.1938064 0.3380315 0.3380315 3.2926626 11 Si 3.3356956 -0.0213987 0.1938064 -0.0213987 3.3356956 0.1938064 -0.3380315 -0.3380315 3.2926626 12 Si 3.3356956 0.0213987 0.1938064 0.0213987 3.3356956 -0.1938064 -0.3380315 0.3380315 3.2926626 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000038 (xxx) -0.00000038 (xxx) -0.00000038 (xxx) Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) --------------------------- 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 ... [ 10 10 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.74, Number of G-points: 311, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/84) ======================= 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 84 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 1.059 ( 0.000 -0.000 -0.000) 0.000 3.204 ( -0.000 0.000 0.000) 0.000 4.020 ( 0.000 -0.000 -0.000) 0.000 4.020 ( 0.000 0.000 -0.000) 0.000 6.313 ( 0.000 0.000 0.000) 0.000 7.681 ( 0.000 -0.000 0.000) 0.000 7.681 ( -0.000 0.000 0.000) 0.000 8.110 ( -0.000 -0.000 -0.000) 0.000 8.430 ( 0.000 0.000 0.000) 0.000 10.343 ( -0.000 0.000 -0.000) 0.000 10.713 ( -0.000 0.000 -0.000) 0.000 10.802 ( 0.000 0.000 -0.000) 0.000 10.802 ( 0.000 0.000 0.000) 0.000 11.599 ( -0.000 0.000 0.000) 0.000 12.381 ( 0.000 0.000 0.000) 0.000 13.202 ( -0.000 0.000 0.000) 0.000 13.202 ( -0.000 0.000 0.000) 0.000 13.866 ( -0.000 0.000 -0.000) 0.000 17.773 ( 0.000 0.000 0.000) 0.000 17.773 ( 0.000 0.000 0.000) 0.000 22.843 ( -0.000 0.000 0.000) 0.000 22.921 ( 0.000 -0.000 0.000) 0.000 22.923 ( 0.000 0.000 0.000) 0.000 23.055 ( -0.000 -0.000 0.000) 0.000 23.055 ( -0.000 0.000 -0.000) 0.000 32.140 ( -0.000 0.000 0.000) 0.000 32.211 ( 0.000 -0.000 0.000) 0.000 32.211 ( 0.000 -0.000 0.000) 0.000 32.237 ( 0.000 0.000 -0.000) 0.000 32.302 ( 0.000 -0.000 -0.000) 0.000 33.538 ( 0.000 0.000 -0.000) 0.000 35.528 ( -0.000 0.000 0.000) 0.000 35.528 ( -0.000 0.000 -0.000) 0.000 ======================= Grid point 1 (2/84) ======================= q-point: ( 0.10 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( 32.721 0.000 0.000) 32.721 0.716 ( 34.689 0.000 0.000) 34.689 1.064 ( 53.412 0.000 0.000) 53.412 1.452 ( 34.430 0.000 0.000) 34.430 3.564 ( 28.732 0.000 0.000) 28.732 4.057 ( 3.926 0.000 0.000) 3.926 4.220 ( 20.503 0.000 0.000) 20.503 6.565 ( 22.776 0.000 0.000) 22.776 7.371 ( -23.811 0.000 0.000) 23.811 7.620 ( -5.750 0.000 0.000) 5.750 8.119 ( -7.883 0.000 0.000) 7.883 8.555 ( 14.395 0.000 0.000) 14.395 10.245 ( -18.542 0.000 0.000) 18.542 10.391 ( -9.811 0.000 0.000) 9.811 10.824 ( 1.698 0.000 0.000) 1.698 11.195 ( 13.970 0.000 0.000) 13.970 11.781 ( 16.072 0.000 0.000) 16.072 12.351 ( -3.031 0.000 0.000) 3.031 13.147 ( -5.549 0.000 0.000) 5.549 13.794 ( -7.033 0.000 0.000) 7.033 15.026 ( -2.377 0.000 0.000) 2.377 17.508 ( -25.145 0.000 0.000) 25.145 18.131 ( 11.489 0.000 0.000) 11.489 22.842 ( -10.198 0.000 0.000) 10.198 22.889 ( 4.507 0.000 0.000) 4.507 22.920 ( -0.395 0.000 0.000) 0.395 23.050 ( -0.485 0.000 0.000) 0.485 23.184 ( 13.850 0.000 0.000) 13.850 32.147 ( 0.680 0.000 0.000) 0.680 32.206 ( -0.435 0.000 0.000) 0.435 32.241 ( 0.387 0.000 0.000) 0.387 32.294 ( -0.693 0.000 0.000) 0.693 33.624 ( 8.507 0.000 0.000) 8.507 35.351 ( -2.086 0.000 0.000) 2.086 35.514 ( -1.271 0.000 0.000) 1.271 36.738 ( -4.832 0.000 0.000) 4.832 ======================= Grid point 2 (3/84) ======================= q-point: ( 0.20 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 28.349 0.000 0.000) 28.349 1.305 ( 24.575 0.000 0.000) 24.575 2.107 ( 51.331 0.000 0.000) 51.331 2.253 ( 43.433 0.000 0.000) 43.433 4.006 ( 15.588 0.000 0.000) 15.588 4.188 ( 9.776 0.000 0.000) 9.776 5.031 ( 57.445 0.000 0.000) 57.445 6.845 ( -28.581 0.000 0.000) 28.581 6.933 ( 3.728 0.000 0.000) 3.728 7.655 ( 16.297 0.000 0.000) 16.297 7.829 ( -19.187 0.000 0.000) 19.187 8.890 ( 17.520 0.000 0.000) 17.520 9.775 ( -21.162 0.000 0.000) 21.162 10.303 ( -3.833 0.000 0.000) 3.833 10.833 ( -2.052 0.000 0.000) 2.052 11.464 ( 13.556 0.000 0.000) 13.556 12.133 ( 17.667 0.000 0.000) 17.667 12.261 ( -6.075 0.000 0.000) 6.075 12.976 ( -11.874 0.000 0.000) 11.874 13.605 ( -11.545 0.000 0.000) 11.545 14.970 ( -2.907 0.000 0.000) 2.907 16.872 ( -36.435 0.000 0.000) 36.435 18.472 ( 22.824 0.000 0.000) 22.824 22.523 ( -21.588 0.000 0.000) 21.588 22.911 ( -0.534 0.000 0.000) 0.534 22.982 ( 1.882 0.000 0.000) 1.882 23.074 ( 5.735 0.000 0.000) 5.735 23.508 ( 16.394 0.000 0.000) 16.394 32.162 ( 0.703 0.000 0.000) 0.703 32.194 ( -0.711 0.000 0.000) 0.711 32.251 ( 0.535 0.000 0.000) 0.535 32.278 ( -0.867 0.000 0.000) 0.867 33.862 ( 14.980 0.000 0.000) 14.980 35.291 ( -3.975 0.000 0.000) 3.975 35.492 ( -0.496 0.000 0.000) 0.496 36.597 ( -9.283 0.000 0.000) 9.283 ======================= Grid point 3 (4/84) ======================= q-point: ( 0.30 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 16.976 0.000 0.000) 16.976 1.763 ( 20.189 0.000 0.000) 20.189 3.061 ( 43.531 0.000 0.000) 43.531 3.110 ( 42.403 0.000 0.000) 42.403 4.257 ( 9.968 0.000 0.000) 9.968 4.476 ( 20.210 0.000 0.000) 20.210 6.217 ( 53.934 0.000 0.000) 53.934 6.254 ( -30.586 0.000 0.000) 30.586 6.778 ( -11.758 0.000 0.000) 11.758 7.411 ( -22.056 0.000 0.000) 22.056 8.004 ( 9.726 0.000 0.000) 9.726 9.222 ( 15.749 0.000 0.000) 15.749 9.648 ( 13.666 0.000 0.000) 13.666 10.216 ( -4.418 0.000 0.000) 4.418 10.688 ( -13.922 0.000 0.000) 13.922 11.731 ( 13.088 0.000 0.000) 13.088 12.100 ( -10.975 0.000 0.000) 10.975 12.449 ( 14.026 0.000 0.000) 14.026 12.684 ( -16.728 0.000 0.000) 16.728 13.360 ( -12.605 0.000 0.000) 12.605 14.930 ( -0.531 0.000 0.000) 0.531 16.149 ( -34.801 0.000 0.000) 34.801 19.026 ( 32.607 0.000 0.000) 32.607 22.000 ( -30.902 0.000 0.000) 30.902 22.902 ( -0.293 0.000 0.000) 0.293 22.970 ( -1.534 0.000 0.000) 1.534 23.264 ( 11.704 0.000 0.000) 11.704 23.765 ( 8.568 0.000 0.000) 8.568 32.173 ( 0.376 0.000 0.000) 0.376 32.181 ( -0.547 0.000 0.000) 0.547 32.259 ( 0.164 0.000 0.000) 0.164 32.262 ( -0.632 0.000 0.000) 0.632 34.195 ( 17.935 0.000 0.000) 17.935 35.193 ( -5.932 0.000 0.000) 5.932 35.512 ( 2.939 0.000 0.000) 2.939 36.376 ( -12.788 0.000 0.000) 12.788 ======================= Grid point 4 (5/84) ======================= q-point: ( 0.40 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( 10.644 0.000 0.000) 10.644 2.055 ( 8.932 0.000 0.000) 8.932 3.776 ( 28.068 0.000 0.000) 28.068 3.914 ( 37.535 0.000 0.000) 37.535 4.377 ( 2.066 0.000 0.000) 2.066 4.948 ( 19.202 0.000 0.000) 19.202 5.709 ( -16.831 0.000 0.000) 16.831 6.487 ( -12.345 0.000 0.000) 12.345 6.810 ( -4.646 0.000 0.000) 4.646 6.997 ( -18.556 0.000 0.000) 18.556 8.392 ( 40.795 0.000 0.000) 40.795 9.501 ( 11.429 0.000 0.000) 11.429 9.969 ( -0.990 0.000 0.000) 0.990 10.247 ( -30.324 0.000 0.000) 30.324 10.374 ( 33.056 0.000 0.000) 33.056 11.762 ( -24.740 0.000 0.000) 24.740 11.972 ( 11.119 0.000 0.000) 11.119 12.379 ( -12.614 0.000 0.000) 12.614 12.693 ( 11.009 0.000 0.000) 11.009 13.119 ( -11.611 0.000 0.000) 11.611 14.970 ( 5.095 0.000 0.000) 5.095 15.545 ( -25.399 0.000 0.000) 25.399 19.741 ( 38.867 0.000 0.000) 38.867 21.316 ( -37.569 0.000 0.000) 37.569 22.901 ( 0.275 0.000 0.000) 0.275 22.939 ( -1.510 0.000 0.000) 1.510 23.507 ( 12.220 0.000 0.000) 12.220 23.834 ( -1.519 0.000 0.000) 1.519 32.175 ( -0.089 0.000 0.000) 0.089 32.177 ( 0.055 0.000 0.000) 0.055 32.253 ( -0.259 0.000 0.000) 0.259 32.257 ( -0.257 0.000 0.000) 0.257 34.545 ( 16.787 0.000 0.000) 16.787 35.051 ( -8.685 0.000 0.000) 8.685 35.620 ( 8.064 0.000 0.000) 8.064 36.103 ( -14.351 0.000 0.000) 14.351 ======================= Grid point 5 (6/84) ======================= q-point: (-0.50 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( -2.183 0.000 0.000) 2.183 2.119 ( 2.183 0.000 0.000) 2.183 4.180 ( -12.149 0.000 0.000) 12.149 4.180 ( 12.149 0.000 0.000) 12.149 4.707 ( -31.120 0.000 0.000) 31.120 4.707 ( 31.120 0.000 0.000) 31.120 6.022 ( -32.920 0.000 0.000) 32.920 6.022 ( 32.920 0.000 0.000) 32.920 6.734 ( -5.928 0.000 0.000) 5.928 6.734 ( 5.928 0.000 0.000) 5.928 9.323 ( -42.040 0.000 0.000) 42.040 9.323 ( 42.040 0.000 0.000) 42.040 9.851 ( -4.264 0.000 0.000) 4.264 9.851 ( 4.264 0.000 0.000) 4.264 11.131 ( -37.415 0.000 0.000) 37.415 11.131 ( 37.415 0.000 0.000) 37.415 12.172 ( -9.436 0.000 0.000) 9.436 12.172 ( 9.436 0.000 0.000) 9.436 12.902 ( -10.429 0.000 0.000) 10.429 12.902 ( 10.429 0.000 0.000) 10.429 15.155 ( -14.092 0.000 0.000) 14.092 15.155 ( 14.092 0.000 0.000) 14.092 20.535 ( -40.496 0.000 0.000) 40.496 20.535 ( 40.496 0.000 0.000) 40.496 22.914 ( -0.969 0.000 0.000) 0.969 22.914 ( 0.969 0.000 0.000) 0.969 23.724 ( -8.957 0.000 0.000) 8.957 23.724 ( 8.957 0.000 0.000) 8.957 32.176 ( -0.125 0.000 0.000) 0.125 32.176 ( 0.125 0.000 0.000) 0.125 32.253 ( -0.151 0.000 0.000) 0.151 32.253 ( 0.151 0.000 0.000) 0.151 34.840 ( -12.741 0.000 0.000) 12.741 34.840 ( 12.741 0.000 0.000) 12.741 35.829 ( -12.703 0.000 0.000) 12.703 35.829 ( 12.703 0.000 0.000) 12.703 ======================= Grid point 12 (7/84) ======================= q-point: ( 0.10 0.10 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( 14.068 14.068 0.000) 19.895 0.908 ( 13.077 13.077 0.000) 18.493 1.204 ( 34.246 34.246 0.000) 48.431 2.101 ( 43.261 43.261 0.000) 61.181 3.903 ( 30.669 30.669 0.000) 43.372 4.216 ( 10.136 10.136 0.000) 14.335 4.242 ( 12.283 12.283 0.000) 17.371 6.617 ( 0.928 0.928 0.000) 1.313 7.297 ( -17.588 -17.588 0.000) 24.873 7.400 ( 0.534 0.534 0.000) 0.755 8.333 ( 6.760 6.760 0.000) 9.560 8.518 ( 3.386 3.386 0.000) 4.788 10.216 ( -11.446 -11.446 0.000) 16.187 10.257 ( -4.629 -4.629 0.000) 6.547 10.765 ( -4.691 -4.691 0.000) 6.634 11.327 ( 12.393 12.393 0.000) 17.526 11.845 ( 7.070 7.070 0.000) 9.999 12.342 ( -1.181 -1.181 0.000) 1.670 13.121 ( -4.638 -4.638 0.000) 6.559 13.723 ( -7.031 -7.031 0.000) 9.944 15.105 ( 3.099 3.099 0.000) 4.383 17.638 ( -5.774 -5.774 0.000) 8.166 17.850 ( -7.301 -7.301 0.000) 10.325 22.666 ( -15.204 -15.204 0.000) 21.502 22.822 ( -0.471 -0.471 0.000) 0.666 22.986 ( 3.977 3.977 0.000) 5.624 23.173 ( 7.694 7.694 0.000) 10.881 23.236 ( 7.364 7.364 0.000) 10.414 32.155 ( 0.676 0.676 0.000) 0.956 32.195 ( -0.345 -0.345 0.000) 0.487 32.283 ( -0.027 -0.027 0.000) 0.039 32.302 ( 1.597 1.597 0.000) 2.258 33.707 ( 8.158 8.158 0.000) 11.537 35.347 ( -1.079 -1.079 0.000) 1.525 35.487 ( -1.854 -1.854 0.000) 2.622 36.687 ( -4.797 -4.797 0.000) 6.784 ======================= Grid point 13 (8/84) ======================= q-point: ( 0.20 0.10 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( 26.859 -6.773 0.000) 27.700 1.473 ( 37.893 -22.125 0.000) 43.879 1.854 ( 28.876 40.513 0.000) 49.751 2.982 ( 44.061 39.460 0.000) 59.148 4.175 ( 3.314 25.015 0.000) 25.234 4.567 ( 21.626 29.809 0.000) 36.827 5.014 ( 56.150 -1.058 0.000) 56.160 6.434 ( -17.738 -27.530 0.000) 32.749 6.876 ( -21.092 -16.548 0.000) 26.809 7.692 ( 21.380 14.061 0.000) 25.590 8.180 ( -11.847 22.932 0.000) 25.812 8.824 ( 18.952 -6.460 0.000) 20.023 9.832 ( -19.599 4.858 0.000) 20.192 10.210 ( -3.924 -9.103 0.000) 9.913 10.757 ( 1.841 -6.554 0.000) 6.808 11.533 ( 7.963 6.500 0.000) 10.279 12.017 ( 7.760 -7.601 0.000) 10.863 12.319 ( -0.080 2.937 0.000) 2.939 12.950 ( -12.292 -4.316 0.000) 13.028 13.531 ( -11.835 -7.346 0.000) 13.930 15.121 ( -0.453 12.252 0.000) 12.260 17.045 ( -36.710 16.790 0.000) 40.367 18.173 ( 24.890 -27.389 0.000) 37.009 22.281 ( -23.429 -20.076 0.000) 30.854 22.910 ( 8.083 -6.335 0.000) 10.270 23.041 ( 2.245 9.445 0.000) 9.708 23.217 ( -0.044 14.764 0.000) 14.764 23.521 ( 15.608 0.723 0.000) 15.624 32.167 ( 0.410 0.611 0.000) 0.735 32.190 ( -0.142 -0.765 0.000) 0.778 32.274 ( -0.446 0.139 0.000) 0.467 32.312 ( -0.453 4.186 0.000) 4.211 33.935 ( 14.396 7.226 0.000) 16.108 35.300 ( -3.542 0.832 0.000) 3.638 35.463 ( -0.206 -2.618 0.000) 2.626 36.552 ( -8.783 -4.330 0.000) 9.793 ======================= Grid point 14 (9/84) ======================= q-point: ( 0.30 0.10 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( 26.161 -1.738 0.000) 26.219 2.298 ( 43.411 -37.785 0.000) 57.552 2.324 ( 18.694 46.021 0.000) 49.673 3.746 ( 28.800 26.553 0.000) 39.172 4.293 ( 11.138 20.652 0.000) 23.464 4.905 ( 9.732 26.290 0.000) 28.033 5.826 ( -4.059 -24.074 0.000) 24.414 6.385 ( 39.806 1.980 0.000) 39.855 6.528 ( -10.786 -15.791 0.000) 19.123 7.719 ( -16.181 23.482 0.000) 28.517 8.184 ( 4.349 16.250 0.000) 16.822 9.191 ( 17.803 -3.013 0.000) 18.056 9.684 ( 10.232 3.229 0.000) 10.730 10.098 ( -6.471 -10.155 0.000) 12.041 10.728 ( -7.150 1.992 0.000) 7.422 11.672 ( 6.871 -4.766 0.000) 8.362 12.049 ( -5.227 -5.699 0.000) 7.733 12.363 ( 1.733 -5.678 0.000) 5.936 12.674 ( -12.371 -3.802 0.000) 12.942 13.275 ( -13.445 -8.653 0.000) 15.989 15.121 ( 1.041 17.414 0.000) 17.445 16.332 ( -33.704 18.128 0.000) 38.270 18.757 ( 33.720 -24.712 0.000) 41.806 21.740 ( -31.057 -22.278 0.000) 38.221 23.037 ( 2.503 11.217 0.000) 11.493 23.160 ( 10.564 -2.315 0.000) 10.815 23.200 ( -0.444 13.174 0.000) 13.182 23.762 ( 7.698 -0.468 0.000) 7.712 32.170 ( 0.013 -0.108 0.000) 0.108 32.189 ( 0.006 -0.187 0.000) 0.188 32.267 ( -0.345 0.310 0.000) 0.464 32.294 ( -1.146 3.632 0.000) 3.809 34.255 ( 17.243 5.966 0.000) 18.246 35.210 ( -5.623 1.663 0.000) 5.864 35.492 ( 3.420 -1.939 0.000) 3.932 36.343 ( -12.136 -3.232 0.000) 12.559 ======================= Grid point 15 (10/84) ======================= q-point: ( 0.40 0.10 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( 20.682 12.211 0.000) 24.017 2.574 ( 5.985 41.262 0.000) 41.694 3.153 ( 41.775 -33.994 0.000) 53.859 4.079 ( 8.893 4.503 0.000) 9.968 4.477 ( -1.750 7.677 0.000) 7.874 4.852 ( -14.815 -18.687 0.000) 23.848 5.783 ( 15.345 14.358 0.000) 21.015 6.444 ( 2.305 7.082 0.000) 7.448 7.004 ( 2.601 16.341 0.000) 16.546 7.367 ( -19.030 27.436 0.000) 33.389 8.381 ( 30.466 -0.405 0.000) 30.468 9.501 ( 9.765 -0.889 0.000) 9.805 9.806 ( -7.571 -11.031 0.000) 13.379 10.311 ( 23.278 1.524 0.000) 23.327 10.458 ( -8.992 8.665 0.000) 12.487 11.710 ( -17.691 -5.745 0.000) 18.600 11.890 ( 2.570 -7.365 0.000) 7.801 12.235 ( -10.248 -12.953 0.000) 16.517 12.645 ( 6.230 -6.036 0.000) 8.674 13.018 ( -12.117 -10.181 0.000) 15.826 15.185 ( 5.922 20.314 0.000) 21.160 15.752 ( -24.273 20.246 0.000) 31.608 19.488 ( 39.293 -23.141 0.000) 45.601 21.060 ( -37.231 -22.663 0.000) 43.586 23.073 ( 1.670 15.506 0.000) 15.596 23.154 ( -2.274 17.495 0.000) 17.643 23.429 ( 13.691 -6.653 0.000) 15.222 23.811 ( -2.650 -2.142 0.000) 3.408 32.173 ( 0.341 -0.246 0.000) 0.420 32.188 ( -0.158 0.228 0.000) 0.277 32.260 ( -0.336 0.324 0.000) 0.466 32.272 ( -0.994 2.186 0.000) 2.402 34.591 ( 16.095 4.609 0.000) 16.742 35.074 ( -8.253 2.391 0.000) 8.592 35.607 ( 8.273 -1.258 0.000) 8.368 36.082 ( -13.803 -2.038 0.000) 13.953 ======================= Grid point 16 (11/84) ======================= q-point: (-0.50 0.10 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.541 ( -9.274 29.845 0.000) 31.253 2.541 ( 9.274 29.845 0.000) 31.253 3.899 ( -30.438 -18.852 0.000) 35.804 3.899 ( 30.438 -18.852 0.000) 35.804 4.514 ( -14.384 -17.920 0.000) 22.979 4.514 ( 14.384 -17.920 0.000) 22.979 6.285 ( -24.562 25.169 0.000) 35.167 6.285 ( 24.562 25.169 0.000) 35.167 7.008 ( -11.864 23.862 0.000) 26.648 7.008 ( 11.864 23.862 0.000) 26.648 9.167 ( -36.983 -12.984 0.000) 39.196 9.167 ( 36.983 -12.984 0.000) 39.196 9.978 ( -19.693 10.122 0.000) 22.142 9.978 ( 19.693 10.122 0.000) 22.142 11.109 ( -36.964 -2.268 0.000) 37.033 11.109 ( 36.964 -2.268 0.000) 37.033 12.048 ( -9.120 -12.107 0.000) 15.157 12.048 ( 9.120 -12.107 0.000) 15.157 12.804 ( -9.425 -9.796 0.000) 13.594 12.804 ( 9.425 -9.796 0.000) 13.594 15.376 ( -13.888 21.263 0.000) 25.397 15.376 ( 13.888 21.263 0.000) 25.397 20.285 ( -40.375 -22.618 0.000) 46.279 20.285 ( 40.375 -22.618 0.000) 46.279 23.110 ( -2.090 16.893 0.000) 17.022 23.110 ( 2.090 16.893 0.000) 17.022 23.675 ( -10.363 -4.314 0.000) 11.225 23.675 ( 10.363 -4.314 0.000) 11.225 32.182 ( -0.465 0.095 0.000) 0.474 32.182 ( 0.465 0.095 0.000) 0.474 32.258 ( -0.302 0.891 0.000) 0.941 32.258 ( 0.302 0.891 0.000) 0.941 34.874 ( -12.156 3.367 0.000) 12.613 34.874 ( 12.156 3.367 0.000) 12.613 35.816 ( -12.494 -1.265 0.000) 12.558 35.816 ( 12.494 -1.265 0.000) 12.558 ======================= Grid point 24 (12/84) ======================= q-point: ( 0.20 0.20 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 1.584 1.584 0.000) 2.240 1.386 ( 6.329 6.329 0.000) 8.951 2.711 ( 40.448 40.448 0.000) 57.202 3.711 ( 32.358 32.358 0.000) 45.761 4.847 ( 17.066 17.066 0.000) 24.135 5.021 ( 27.712 27.712 0.000) 39.190 5.321 ( 35.663 35.663 0.000) 50.435 5.859 ( -25.976 -25.976 0.000) 36.735 6.491 ( -17.086 -17.086 0.000) 24.163 8.070 ( 19.638 19.638 0.000) 27.772 8.622 ( 9.423 9.423 0.000) 13.327 8.680 ( 5.211 5.211 0.000) 7.369 9.861 ( -6.734 -6.734 0.000) 9.523 10.005 ( -7.208 -7.208 0.000) 10.194 10.661 ( -1.154 -1.154 0.000) 1.632 11.656 ( 3.238 3.238 0.000) 4.580 11.888 ( -4.321 -4.321 0.000) 6.111 12.351 ( -0.032 -0.032 0.000) 0.045 12.771 ( -13.511 -13.511 0.000) 19.108 13.322 ( -13.454 -13.454 0.000) 19.028 15.353 ( 10.159 10.159 0.000) 14.367 17.452 ( -1.803 -1.803 0.000) 2.550 17.574 ( -4.918 -4.918 0.000) 6.955 21.810 ( -26.876 -26.876 0.000) 38.008 22.853 ( 2.560 2.560 0.000) 3.621 23.233 ( 7.863 7.863 0.000) 11.120 23.522 ( 8.422 8.422 0.000) 11.910 23.536 ( 6.769 6.769 0.000) 9.573 32.168 ( -1.033 -1.033 0.000) 1.461 32.183 ( 0.568 0.568 0.000) 0.803 32.275 ( -0.045 -0.045 0.000) 0.064 32.370 ( 1.154 1.154 0.000) 1.632 34.137 ( 12.818 12.818 0.000) 18.127 35.313 ( -0.235 -0.235 0.000) 0.332 35.411 ( -1.577 -1.577 0.000) 2.230 36.433 ( -7.606 -7.606 0.000) 10.757 ======================= Grid point 25 (13/84) ======================= q-point: ( 0.30 0.20 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 31.627 -30.704 0.000) 44.079 1.683 ( 23.583 -20.793 0.000) 31.440 3.364 ( 24.342 51.857 0.000) 57.286 4.125 ( 6.809 6.830 0.000) 9.644 4.812 ( -14.056 -5.257 0.000) 15.007 5.190 ( -21.341 27.340 0.000) 34.683 5.691 ( 24.543 17.442 0.000) 30.109 6.332 ( 40.778 -4.512 0.000) 41.027 6.491 ( 29.976 16.167 0.000) 34.057 8.199 ( -9.157 22.915 0.000) 24.677 8.570 ( -2.316 21.430 0.000) 21.554 9.118 ( 23.401 -3.625 0.000) 23.680 9.724 ( -2.356 -2.024 0.000) 3.106 9.896 ( -1.208 -7.514 0.000) 7.610 10.708 ( 3.260 -3.844 0.000) 5.040 11.595 ( -6.859 -2.214 0.000) 7.207 11.876 ( 0.527 -11.199 0.000) 11.211 12.261 ( -13.298 -5.158 0.000) 14.263 12.490 ( -9.685 -14.605 0.000) 17.524 13.019 ( -16.264 -16.977 0.000) 23.510 15.528 ( 8.104 21.739 0.000) 23.201 16.838 ( -31.152 31.894 0.000) 44.584 18.167 ( 36.487 -32.234 0.000) 48.686 21.223 ( -32.394 -28.830 0.000) 43.366 23.006 ( 11.994 -3.109 0.000) 12.390 23.346 ( 4.082 12.860 0.000) 13.492 23.528 ( -0.464 15.054 0.000) 15.061 23.750 ( 6.357 -0.516 0.000) 6.378 32.152 ( -0.449 -1.376 0.000) 1.448 32.190 ( 0.163 0.192 0.000) 0.252 32.271 ( -0.298 0.084 0.000) 0.310 32.363 ( -1.535 2.337 0.000) 2.796 34.423 ( 15.396 10.684 0.000) 18.739 35.262 ( -4.526 3.713 0.000) 5.854 35.441 ( 4.411 -3.017 0.000) 5.344 36.253 ( -10.458 -5.762 0.000) 11.940 ======================= Grid point 26 (14/84) ======================= q-point: ( 0.40 0.20 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( 33.001 -27.838 0.000) 43.174 2.271 ( 32.252 -38.631 0.000) 50.324 3.558 ( -6.582 24.088 0.000) 24.971 4.114 ( -15.772 -25.094 0.000) 29.639 4.338 ( -9.562 0.172 0.000) 9.564 4.883 ( -15.200 41.349 0.000) 44.054 6.255 ( 33.924 30.630 0.000) 45.706 6.896 ( 23.498 34.435 0.000) 41.689 7.290 ( 23.017 10.318 0.000) 25.224 7.941 ( -14.276 28.738 0.000) 32.089 8.434 ( 1.157 7.741 0.000) 7.827 9.393 ( -14.620 -9.847 0.000) 17.627 9.674 ( 19.068 -1.638 0.000) 19.139 10.303 ( 34.136 -2.602 0.000) 34.235 10.630 ( -13.984 7.283 0.000) 15.766 11.509 ( -2.773 -13.825 0.000) 14.100 11.742 ( -18.539 -6.951 0.000) 19.800 11.913 ( -11.280 -18.756 0.000) 21.887 12.434 ( 1.437 -15.042 0.000) 15.111 12.718 ( -13.098 -19.840 0.000) 23.773 15.698 ( 9.660 29.507 0.000) 31.048 16.302 ( -22.715 33.861 0.000) 40.775 18.939 ( 40.690 -29.951 0.000) 50.525 20.529 ( -37.413 -29.260 0.000) 47.496 23.283 ( 14.450 -3.819 0.000) 14.946 23.412 ( 2.866 13.860 0.000) 14.153 23.511 ( -0.974 15.940 0.000) 15.969 23.767 ( -4.459 -1.623 0.000) 4.745 32.153 ( 0.518 -1.439 0.000) 1.529 32.187 ( -0.544 -0.335 0.000) 0.639 32.268 ( 0.179 0.367 0.000) 0.408 32.323 ( -2.181 2.098 0.000) 3.026 34.723 ( 14.300 8.459 0.000) 16.614 35.147 ( -7.127 5.034 0.000) 8.725 35.573 ( 8.750 -2.111 0.000) 9.002 36.025 ( -12.306 -3.709 0.000) 12.853 ======================= Grid point 27 (15/84) ======================= q-point: (-0.50 0.20 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.589 ( -11.397 -26.777 0.000) 29.101 2.589 ( 11.397 -26.777 0.000) 29.101 3.553 ( -20.682 -29.616 0.000) 36.123 3.553 ( 20.682 -29.616 0.000) 36.123 4.561 ( -16.671 37.466 0.000) 41.008 4.561 ( 16.671 37.466 0.000) 41.008 6.903 ( -26.112 34.512 0.000) 43.277 6.903 ( 26.112 34.512 0.000) 43.277 7.566 ( -20.536 31.109 0.000) 37.276 7.566 ( 20.536 31.109 0.000) 37.276 8.885 ( -31.423 -14.117 0.000) 34.449 8.885 ( 31.423 -14.117 0.000) 34.449 10.183 ( -27.024 9.727 0.000) 28.722 10.183 ( 27.024 9.727 0.000) 28.722 11.033 ( -35.887 -6.020 0.000) 36.388 11.033 ( 35.887 -6.020 0.000) 36.388 11.725 ( -9.224 -19.194 0.000) 21.296 11.725 ( 9.224 -19.194 0.000) 21.296 12.519 ( -7.073 -18.770 0.000) 20.059 12.519 ( 7.073 -18.770 0.000) 20.059 15.934 ( -14.753 33.342 0.000) 36.460 15.934 ( 14.753 33.342 0.000) 36.460 19.751 ( -40.691 -29.219 0.000) 50.095 19.751 ( 40.691 -29.219 0.000) 50.095 23.446 ( -1.756 12.967 0.000) 13.085 23.446 ( 1.756 12.967 0.000) 13.085 23.599 ( -11.045 -0.657 0.000) 11.065 23.599 ( 11.045 -0.657 0.000) 11.065 32.170 ( -1.049 -1.072 0.000) 1.500 32.170 ( 1.049 -1.072 0.000) 1.500 32.285 ( -1.511 1.221 0.000) 1.943 32.285 ( 1.511 1.221 0.000) 1.943 34.972 ( -10.683 6.529 0.000) 12.520 34.972 ( 10.683 6.529 0.000) 12.520 35.781 ( -11.859 -2.275 0.000) 12.076 35.781 ( 11.859 -2.275 0.000) 12.076 ======================= Grid point 36 (16/84) ======================= q-point: ( 0.30 0.30 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( -2.616 -2.616 0.000) 3.700 1.422 ( -3.295 -3.295 0.000) 4.660 3.891 ( -25.550 -25.550 0.000) 36.133 4.028 ( -17.151 -17.151 0.000) 24.254 4.462 ( 17.214 17.214 0.000) 24.344 6.065 ( 23.928 23.928 0.000) 33.840 6.114 ( 19.768 19.768 0.000) 27.957 6.411 ( 36.567 36.567 0.000) 51.713 7.087 ( 37.043 37.043 0.000) 52.387 8.479 ( 1.196 1.196 0.000) 1.691 8.984 ( 10.668 10.668 0.000) 15.087 9.109 ( 11.104 11.104 0.000) 15.703 9.655 ( -3.795 -3.795 0.000) 5.366 9.769 ( -3.136 -3.136 0.000) 4.434 10.665 ( 2.146 2.146 0.000) 3.036 11.530 ( -10.060 -10.060 0.000) 14.227 11.660 ( -5.909 -5.909 0.000) 8.356 12.071 ( -21.078 -21.078 0.000) 29.809 12.187 ( -8.408 -8.408 0.000) 11.891 12.626 ( -21.448 -21.448 0.000) 30.332 15.937 ( 19.159 19.159 0.000) 27.094 17.537 ( 3.049 3.049 0.000) 4.312 17.566 ( 7.183 7.183 0.000) 10.158 20.613 ( -32.643 -32.643 0.000) 46.164 23.048 ( 7.173 7.173 0.000) 10.144 23.537 ( 6.254 6.254 0.000) 8.844 23.727 ( 2.971 2.971 0.000) 4.201 23.765 ( 3.463 3.463 0.000) 4.897 32.130 ( -0.667 -0.667 0.000) 0.943 32.191 ( -0.207 -0.207 0.000) 0.293 32.268 ( -0.374 -0.374 0.000) 0.528 32.375 ( -0.946 -0.946 0.000) 1.337 34.662 ( 12.964 12.964 0.000) 18.334 35.350 ( 2.166 2.166 0.000) 3.063 35.384 ( 0.306 0.306 0.000) 0.433 36.116 ( -8.085 -8.085 0.000) 11.434 ======================= Grid point 37 (17/84) ======================= q-point: ( 0.40 0.30 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( 32.067 -37.081 0.000) 49.024 1.600 ( 19.188 -29.433 0.000) 35.136 3.244 ( -35.010 -35.860 0.000) 50.116 3.335 ( -38.110 -43.438 0.000) 57.786 5.041 ( 28.254 45.251 0.000) 53.347 5.889 ( -14.999 52.867 0.000) 54.953 6.858 ( 37.289 22.136 0.000) 43.364 7.377 ( 46.966 12.271 0.000) 48.543 7.736 ( 22.137 41.675 0.000) 47.189 8.331 ( -8.699 4.713 0.000) 9.894 8.798 ( -17.064 30.321 0.000) 34.792 9.262 ( -27.716 1.044 0.000) 27.735 9.665 ( 33.653 -0.311 0.000) 33.655 10.142 ( 30.610 -15.677 0.000) 34.391 10.738 ( -1.982 4.630 0.000) 5.036 11.233 ( -12.692 -14.445 0.000) 19.229 11.522 ( -25.311 -17.536 0.000) 30.792 11.603 ( -10.863 -8.805 0.000) 13.983 12.075 ( -3.659 -19.895 0.000) 20.229 12.248 ( -14.358 -26.810 0.000) 30.412 16.291 ( 17.030 29.337 0.000) 33.922 17.038 ( -22.820 39.136 0.000) 45.303 18.357 ( 41.365 -27.970 0.000) 49.934 19.928 ( -36.533 -31.293 0.000) 48.103 23.260 ( 13.089 2.635 0.000) 13.351 23.605 ( 0.590 4.637 0.000) 4.674 23.744 ( -0.022 6.960 0.000) 6.960 23.779 ( -2.690 3.008 0.000) 4.035 32.129 ( 0.592 -0.753 0.000) 0.958 32.179 ( -1.076 -0.378 0.000) 1.140 32.265 ( 0.426 -0.698 0.000) 0.818 32.338 ( -2.448 -0.654 0.000) 2.534 34.915 ( 12.104 10.610 0.000) 16.096 35.273 ( -5.862 7.569 0.000) 9.574 35.522 ( 9.205 -3.081 0.000) 9.707 35.934 ( -10.122 -5.504 0.000) 11.521 ======================= Grid point 38 (18/84) ======================= q-point: (-0.50 0.30 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( -7.108 -39.359 0.000) 39.995 1.878 ( 7.108 -39.359 0.000) 39.995 2.789 ( -3.648 -42.825 0.000) 42.980 2.789 ( 3.648 -42.825 0.000) 42.980 5.530 ( -21.256 50.828 0.000) 55.094 5.530 ( 21.256 50.828 0.000) 55.094 7.532 ( -27.864 23.530 0.000) 36.470 7.532 ( 27.864 23.530 0.000) 36.470 8.198 ( -25.933 30.626 0.000) 40.131 8.198 ( 25.933 30.626 0.000) 40.131 8.712 ( -22.216 3.085 0.000) 22.429 8.712 ( 22.216 3.085 0.000) 22.429 10.337 ( -31.394 4.949 0.000) 31.781 10.337 ( 31.394 4.949 0.000) 31.781 10.815 ( -33.504 -17.597 0.000) 37.844 10.815 ( 33.504 -17.597 0.000) 37.844 11.369 ( -12.150 -14.113 0.000) 18.623 11.369 ( 12.150 -14.113 0.000) 18.623 12.077 ( -4.045 -25.115 0.000) 25.438 12.077 ( 4.045 -25.115 0.000) 25.438 16.635 ( -18.269 36.144 0.000) 40.499 16.635 ( 18.269 36.144 0.000) 40.499 19.168 ( -39.963 -29.275 0.000) 49.538 19.168 ( 39.963 -29.275 0.000) 49.538 23.510 ( -10.468 0.637 0.000) 10.487 23.510 ( 10.468 0.637 0.000) 10.487 23.739 ( -0.199 7.487 0.000) 7.490 23.739 ( 0.199 7.487 0.000) 7.490 32.151 ( -1.473 -0.614 0.000) 1.596 32.151 ( 1.473 -0.614 0.000) 1.596 32.291 ( -2.027 -0.733 0.000) 2.155 32.291 ( 2.027 -0.733 0.000) 2.155 35.127 ( -9.025 8.814 0.000) 12.615 35.127 ( 9.025 8.814 0.000) 12.615 35.724 ( -10.770 -3.565 0.000) 11.345 35.724 ( 10.770 -3.565 0.000) 11.345 ======================= Grid point 48 (19/84) ======================= q-point: ( 0.40 0.40 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( -0.222 -0.222 0.000) 0.313 1.204 ( -7.009 -7.009 0.000) 9.912 2.467 ( -39.051 -39.051 0.000) 55.226 2.487 ( -40.345 -40.345 0.000) 57.056 5.844 ( 35.171 35.171 0.000) 49.739 6.810 ( 12.876 12.876 0.000) 18.209 6.896 ( 15.639 15.639 0.000) 22.117 7.969 ( 39.519 39.519 0.000) 55.888 8.126 ( -18.549 -18.549 0.000) 26.232 8.560 ( 35.596 35.596 0.000) 50.340 9.381 ( 2.694 2.694 0.000) 3.809 9.386 ( 2.865 2.865 0.000) 4.052 9.706 ( 12.191 12.191 0.000) 17.240 9.828 ( 6.349 6.349 0.000) 8.979 10.818 ( -25.519 -25.519 0.000) 36.089 10.870 ( 7.340 7.340 0.000) 10.380 11.160 ( -24.885 -24.885 0.000) 35.192 11.461 ( -4.043 -4.043 0.000) 5.718 11.713 ( -22.625 -22.625 0.000) 31.996 11.744 ( -12.752 -12.752 0.000) 18.034 16.841 ( 26.035 26.035 0.000) 36.819 17.744 ( 5.860 5.860 0.000) 8.288 17.910 ( 8.305 8.305 0.000) 11.745 19.287 ( -33.568 -33.568 0.000) 47.473 23.380 ( 8.702 8.702 0.000) 12.307 23.642 ( -0.409 -0.409 0.000) 0.578 23.811 ( -0.485 -0.485 0.000) 0.686 23.815 ( 1.037 1.037 0.000) 1.466 32.127 ( 0.584 0.584 0.000) 0.826 32.172 ( -0.583 -0.583 0.000) 0.825 32.248 ( -0.511 -0.511 0.000) 0.723 32.305 ( -2.293 -2.293 0.000) 3.242 35.127 ( 10.292 10.292 0.000) 14.555 35.422 ( 1.241 1.241 0.000) 1.755 35.463 ( 2.936 2.936 0.000) 4.153 35.804 ( -7.652 -7.652 0.000) 10.822 ======================= Grid point 49 (20/84) ======================= q-point: (-0.50 0.40 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( -10.593 -26.430 0.000) 28.474 1.181 ( 10.593 -26.430 0.000) 28.474 1.951 ( -1.653 -39.473 0.000) 39.508 1.951 ( 1.653 -39.473 0.000) 39.508 6.442 ( -25.421 40.394 0.000) 47.727 6.442 ( 25.421 40.394 0.000) 47.727 7.602 ( -32.006 -14.308 0.000) 35.058 7.602 ( 32.006 -14.308 0.000) 35.058 8.773 ( -36.515 31.429 0.000) 48.178 8.773 ( 36.515 31.429 0.000) 48.178 9.172 ( -17.898 33.389 0.000) 37.883 9.172 ( 17.898 33.389 0.000) 37.883 10.241 ( -29.080 -20.730 0.000) 35.713 10.241 ( 29.080 -20.730 0.000) 35.713 10.447 ( -38.105 -11.926 0.000) 39.928 10.447 ( 38.105 -11.926 0.000) 39.928 11.184 ( -18.362 -6.144 0.000) 19.363 11.184 ( 18.362 -6.144 0.000) 19.363 11.586 ( -4.689 -21.369 0.000) 21.877 11.586 ( 4.689 -21.369 0.000) 21.877 17.333 ( -23.999 33.692 0.000) 41.365 17.333 ( 23.999 33.692 0.000) 41.365 18.593 ( -36.488 -28.907 0.000) 46.551 18.593 ( 36.488 -28.907 0.000) 46.551 23.559 ( -7.905 3.892 0.000) 8.811 23.559 ( 7.905 3.892 0.000) 8.811 23.809 ( -0.819 0.027 0.000) 0.819 23.809 ( 0.819 0.027 0.000) 0.819 32.149 ( -1.436 0.411 0.000) 1.494 32.149 ( 1.436 0.411 0.000) 1.494 32.261 ( -1.753 -1.878 0.000) 2.569 32.261 ( 1.753 -1.878 0.000) 2.569 35.309 ( -7.904 9.238 0.000) 12.158 35.309 ( 7.904 9.238 0.000) 12.158 35.634 ( -9.255 -5.531 0.000) 10.782 35.634 ( 9.255 -5.531 0.000) 10.782 ======================= Grid point 65 (21/84) ======================= q-point: (-0.50 -0.50 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 0.000 0.000 0.000) 0.000 0.966 ( 0.000 0.000 0.000) 0.000 1.445 ( 0.000 0.000 0.000) 0.000 1.445 ( 0.000 0.000 0.000) 0.000 7.067 ( 0.000 0.000 0.000) 0.000 7.067 ( 0.000 0.000 0.000) 0.000 7.214 ( -0.000 -0.000 0.000) 0.000 7.214 ( 0.000 0.000 0.000) 0.000 9.364 ( 0.000 0.000 0.000) 0.000 9.364 ( 0.000 0.000 0.000) 0.000 9.404 ( -0.000 -0.000 0.000) 0.000 9.404 ( 0.000 0.000 0.000) 0.000 10.058 ( 0.000 0.000 0.000) 0.000 10.058 ( 0.000 0.000 0.000) 0.000 10.175 ( -0.000 -0.000 0.000) 0.000 10.175 ( 0.000 0.000 0.000) 0.000 11.109 ( -0.000 -0.000 0.000) 0.000 11.109 ( 0.000 0.000 0.000) 0.000 11.365 ( 0.000 0.000 0.000) 0.000 11.365 ( 0.000 0.000 0.000) 0.000 17.880 ( 0.000 0.000 0.000) 0.000 17.880 ( 0.000 0.000 0.000) 0.000 18.095 ( 0.000 0.000 0.000) 0.000 18.095 ( 0.000 0.000 0.000) 0.000 23.617 ( 0.000 0.000 0.000) 0.000 23.617 ( 0.000 0.000 0.000) 0.000 23.790 ( 0.000 0.000 0.000) 0.000 23.790 ( 0.000 0.000 0.000) 0.000 32.158 ( 0.000 0.000 0.000) 0.000 32.158 ( 0.000 0.000 0.000) 0.000 32.237 ( 0.000 0.000 0.000) 0.000 32.237 ( 0.000 0.000 0.000) 0.000 35.452 ( 0.000 0.000 0.000) 0.000 35.452 ( 0.000 0.000 0.000) 0.000 35.531 ( -0.000 -0.000 0.000) 0.000 35.531 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 121 (22/84) ======================= q-point: ( 0.00 0.00 0.14) 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( 0.000 0.000 40.863) 40.863 1.060 ( 0.000 0.000 47.625) 47.625 1.170 ( 0.000 0.000 56.607) 56.607 1.632 ( 0.000 0.000 45.757) 45.757 3.181 ( -0.000 -0.000 -2.031) 2.031 3.767 ( 0.000 0.000 -9.308) 9.308 4.420 ( 0.000 0.000 24.261) 24.261 6.176 ( 0.000 0.000 -13.952) 13.952 6.880 ( 0.000 0.000 -41.938) 41.938 7.914 ( 0.000 0.000 -18.746) 18.746 8.375 ( 0.000 0.000 31.487) 31.487 8.726 ( 0.000 0.000 3.578) 3.578 10.291 ( -0.000 -0.000 -5.149) 5.149 10.579 ( 0.000 0.000 -14.397) 14.397 10.732 ( -0.000 -0.000 1.705) 1.705 10.903 ( 0.000 0.000 2.512) 2.512 11.695 ( 0.000 0.000 9.026) 9.026 12.465 ( 0.000 0.000 7.838) 7.838 13.059 ( 0.000 0.000 -9.005) 9.005 13.259 ( 0.000 0.000 0.651) 0.651 15.318 ( 0.000 0.000 2.282) 2.282 16.939 ( 0.000 0.000 -37.054) 37.054 18.724 ( 0.000 0.000 48.526) 48.526 22.676 ( 0.000 0.000 -15.551) 15.551 22.917 ( 0.000 0.000 -1.069) 1.069 22.946 ( 0.000 0.000 -4.722) 4.722 23.172 ( 0.000 0.000 5.635) 5.635 23.407 ( 0.000 0.000 0.114) 0.114 32.142 ( 0.000 0.000 0.239) 0.239 32.199 ( 0.000 0.000 -0.614) 0.614 32.221 ( -0.000 -0.000 0.432) 0.432 32.237 ( 0.000 0.000 -0.014) 0.014 33.619 ( 0.000 0.000 7.836) 7.836 35.234 ( 0.000 0.000 -15.559) 15.559 35.782 ( 0.000 0.000 11.576) 11.576 36.542 ( -0.000 -0.000 -2.554) 2.554 ======================= Grid point 122 (23/84) ======================= q-point: ( 0.10 0.00 0.14) 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( -18.708 0.000 33.361) 38.248 1.095 ( 10.942 0.000 31.567) 33.410 1.619 ( 46.687 0.000 41.871) 62.712 2.110 ( 31.462 0.000 43.866) 53.983 3.519 ( 26.893 0.000 -3.717) 27.149 3.880 ( 14.885 0.000 -8.842) 17.313 4.503 ( 10.783 0.000 20.718) 23.356 6.297 ( 5.406 0.000 -26.332) 26.881 6.816 ( -0.910 0.000 -31.412) 31.425 7.887 ( -2.550 0.000 -10.208) 10.522 8.225 ( -13.786 0.000 23.624) 27.353 8.710 ( 5.554 0.000 11.904) 13.135 10.215 ( -11.192 0.000 -3.758) 11.806 10.376 ( -12.009 0.000 -1.836) 12.149 10.783 ( 2.354 0.000 -3.691) 4.377 11.144 ( 15.728 0.000 -5.032) 16.514 11.766 ( 10.407 0.000 3.079) 10.853 12.440 ( -2.396 0.000 8.080) 8.427 13.106 ( -3.364 0.000 -5.803) 6.708 13.468 ( 11.904 0.000 -15.671) 19.679 15.081 ( -14.957 0.000 3.872) 15.451 16.862 ( -11.309 0.000 -38.576) 40.199 18.770 ( 3.384 0.000 43.963) 44.093 22.664 ( 0.258 0.000 -17.977) 17.979 22.874 ( -1.622 0.000 -0.472) 1.690 23.000 ( 1.488 0.000 -3.235) 3.560 23.197 ( -6.540 0.000 12.290) 13.922 23.296 ( 4.750 0.000 8.332) 9.591 32.110 ( -0.100 0.000 -1.048) 1.053 32.206 ( -0.356 0.000 -0.195) 0.406 32.239 ( 0.603 0.000 0.082) 0.608 32.314 ( 3.190 0.000 0.118) 3.192 33.701 ( 8.075 0.000 7.408) 10.959 35.170 ( -2.910 0.000 -12.276) 12.616 35.716 ( -4.960 0.000 11.647) 12.660 36.590 ( -0.107 0.000 -8.922) 8.922 ======================= Grid point 123 (24/84) ======================= q-point: ( 0.20 0.00 0.14) 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( 16.200 0.000 -22.798) 27.968 1.288 ( 10.731 0.000 2.587) 11.039 2.555 ( 39.207 0.000 29.119) 48.838 2.711 ( 30.288 0.000 32.363) 44.325 3.936 ( 18.391 0.000 -5.201) 19.112 4.309 ( 19.743 0.000 9.202) 21.782 5.100 ( 51.669 0.000 7.927) 52.274 6.131 ( -17.676 0.000 -39.665) 43.426 6.950 ( 4.647 0.000 -25.578) 25.997 7.807 ( -13.603 0.000 21.537) 25.473 8.034 ( 8.028 0.000 8.922) 12.002 8.910 ( 11.765 0.000 5.136) 12.837 9.846 ( -18.718 0.000 5.688) 19.563 10.241 ( -5.305 0.000 -5.625) 7.732 10.800 ( -1.745 0.000 -3.104) 3.561 11.433 ( 13.806 0.000 -4.524) 14.528 12.022 ( 11.667 0.000 -5.108) 12.736 12.392 ( -0.982 0.000 9.279) 9.330 12.968 ( -10.229 0.000 -1.864) 10.398 13.514 ( -5.555 0.000 -8.199) 9.904 14.859 ( -7.623 0.000 -6.727) 10.167 16.472 ( -26.503 0.000 -31.087) 40.851 18.922 ( 13.685 0.000 36.687) 39.156 22.573 ( -14.134 0.000 -6.322) 15.484 22.896 ( 4.618 0.000 -2.616) 5.308 22.994 ( -2.880 0.000 3.676) 4.670 23.033 ( -2.558 0.000 2.475) 3.559 23.542 ( 13.962 0.000 2.662) 14.213 32.123 ( 1.009 0.000 -1.600) 1.892 32.198 ( -0.361 0.000 -0.147) 0.390 32.251 ( 0.551 0.000 0.300) 0.627 32.327 ( -1.062 0.000 2.488) 2.705 33.927 ( 14.265 0.000 6.300) 15.594 35.149 ( 0.215 0.000 -10.401) 10.403 35.606 ( -5.695 0.000 7.643) 9.531 36.506 ( -7.617 0.000 -7.925) 10.992 ======================= Grid point 124 (25/84) ======================= q-point: ( 0.30 0.00 0.14) 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( 25.414 0.000 -38.422) 46.066 1.559 ( 15.996 0.000 -19.867) 25.506 3.030 ( 15.132 0.000 -3.535) 15.539 3.367 ( 31.265 0.000 14.946) 34.654 4.186 ( 3.861 0.000 -6.208) 7.311 4.786 ( 28.298 0.000 24.256) 37.271 5.781 ( -13.222 0.000 -25.979) 29.150 6.222 ( 48.655 0.000 0.932) 48.664 6.921 ( 2.188 0.000 -18.532) 18.661 7.415 ( -22.087 0.000 26.924) 34.824 8.350 ( 9.429 0.000 20.857) 22.889 9.087 ( 8.564 0.000 -8.952) 12.389 9.755 ( 13.970 0.000 8.353) 16.277 10.125 ( -5.731 0.000 -8.443) 10.205 10.661 ( -13.580 0.000 -2.554) 13.818 11.684 ( 10.593 0.000 -5.681) 12.020 12.098 ( -3.489 0.000 0.362) 3.508 12.484 ( 8.966 0.000 3.880) 9.769 12.710 ( -14.780 0.000 1.602) 14.867 13.331 ( -11.298 0.000 -3.047) 11.702 14.766 ( -1.815 0.000 -13.134) 13.259 15.896 ( -29.651 0.000 -22.134) 37.001 19.327 ( 26.711 0.000 26.930) 37.930 22.118 ( -29.634 0.000 7.222) 30.502 22.924 ( -1.224 0.000 2.844) 3.096 22.955 ( -1.038 0.000 -1.048) 1.475 23.147 ( 11.499 0.000 -9.717) 15.054 23.757 ( 6.630 0.000 -0.935) 6.695 32.143 ( 0.965 0.000 -1.169) 1.515 32.193 ( -0.208 0.000 0.099) 0.231 32.257 ( 0.070 0.000 0.264) 0.273 32.295 ( -1.832 0.000 1.931) 2.662 34.244 ( 17.144 0.000 4.879) 17.824 35.150 ( -1.169 0.000 -4.352) 4.506 35.521 ( -1.728 0.000 1.116) 2.057 36.309 ( -11.943 0.000 -6.439) 13.568 ======================= Grid point 125 (26/84) ======================= q-point: ( 0.40 0.00 0.14) 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 19.906 0.000 -31.632) 37.374 1.844 ( 10.294 0.000 -21.701) 24.018 3.295 ( 13.558 0.000 -28.367) 31.441 3.822 ( 5.274 0.000 -36.404) 36.784 4.211 ( 10.064 0.000 3.528) 10.665 5.040 ( -9.859 0.000 -3.625) 10.504 5.858 ( 24.473 0.000 21.105) 32.317 6.631 ( 9.644 0.000 0.819) 9.678 6.923 ( -23.325 0.000 31.367) 39.089 7.291 ( 3.265 0.000 14.661) 15.020 8.518 ( 26.606 0.000 12.308) 29.315 9.361 ( 15.183 0.000 -13.118) 20.065 9.892 ( -8.899 0.000 -8.404) 12.240 10.193 ( -24.327 0.000 -4.738) 24.784 10.430 ( 30.358 0.000 5.848) 30.916 11.700 ( -15.268 0.000 -5.051) 16.082 12.054 ( 4.256 0.000 6.338) 7.634 12.393 ( -12.439 0.000 1.082) 12.486 12.706 ( 9.793 0.000 1.490) 9.905 13.106 ( -11.005 0.000 -1.357) 11.089 14.795 ( 5.127 0.000 -15.180) 16.023 15.358 ( -23.571 0.000 -16.901) 29.004 19.951 ( 35.386 0.000 19.215) 40.267 21.451 ( -36.796 0.000 11.106) 38.436 22.909 ( -0.254 0.000 0.979) 1.011 22.931 ( -1.192 0.000 -0.592) 1.331 23.403 ( 13.311 0.000 -9.415) 16.304 23.789 ( -3.308 0.000 -4.375) 5.485 32.162 ( 0.913 0.000 -0.443) 1.015 32.189 ( -0.269 0.000 0.423) 0.502 32.254 ( -0.338 0.000 0.009) 0.338 32.263 ( -1.224 0.000 0.429) 1.297 34.580 ( 16.166 0.000 3.554) 16.552 35.065 ( -7.456 0.000 1.422) 7.591 35.575 ( 7.190 0.000 -4.144) 8.298 36.048 ( -13.903 0.000 -5.361) 14.901 ======================= Grid point 126 (27/84) ======================= q-point: (-0.50 0.00 0.14) 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( -6.033 0.000 -21.904) 22.720 1.893 ( 6.033 0.000 -21.904) 22.720 3.604 ( -17.031 0.000 -45.138) 48.244 3.604 ( 17.031 0.000 -45.138) 48.244 4.644 ( -25.072 0.000 -7.936) 26.298 4.644 ( 25.072 0.000 -7.936) 26.298 6.418 ( -27.410 0.000 31.738) 41.936 6.418 ( 27.410 0.000 31.738) 41.936 6.972 ( -23.215 0.000 20.806) 31.174 6.972 ( 23.215 0.000 20.806) 31.174 9.323 ( -39.016 0.000 -0.163) 39.016 9.323 ( 39.016 0.000 -0.163) 39.016 9.726 ( -9.203 0.000 -11.850) 15.003 9.726 ( 9.203 0.000 -11.850) 15.003 11.159 ( -35.322 0.000 2.759) 35.429 11.159 ( 35.322 0.000 2.759) 35.429 12.197 ( -8.288 0.000 2.099) 8.550 12.197 ( 8.288 0.000 2.099) 8.550 12.900 ( -9.864 0.000 -0.126) 9.864 12.900 ( 9.864 0.000 -0.126) 9.864 14.983 ( -14.107 0.000 -15.450) 20.922 14.983 ( 14.107 0.000 -15.450) 20.922 20.694 ( -38.749 0.000 14.220) 41.276 20.694 ( 38.749 0.000 14.220) 41.276 22.913 ( -0.624 0.000 0.032) 0.625 22.913 ( 0.624 0.000 0.032) 0.625 23.646 ( -10.477 0.000 -7.322) 12.782 23.646 ( 10.477 0.000 -7.322) 12.782 32.179 ( -0.751 0.000 0.285) 0.803 32.179 ( 0.751 0.000 0.285) 0.803 32.250 ( -0.114 0.000 -0.262) 0.285 32.250 ( 0.114 0.000 -0.262) 0.285 34.866 ( -12.400 0.000 2.692) 12.689 34.866 ( 12.400 0.000 2.692) 12.689 35.779 ( -12.628 0.000 -4.861) 13.531 35.779 ( 12.628 0.000 -4.861) 13.531 ======================= Grid point 133 (28/84) ======================= q-point: ( 0.10 0.10 0.14) 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( 4.759 4.759 13.467) 15.055 1.455 ( 17.724 17.724 30.230) 39.270 1.494 ( 15.100 15.100 43.964) 48.875 2.632 ( 37.444 37.444 38.705) 65.592 3.858 ( 29.815 29.815 -4.465) 42.400 3.954 ( 10.271 10.271 -11.626) 18.605 4.582 ( 9.904 9.904 19.363) 23.897 6.149 ( -14.074 -14.074 -36.242) 41.348 6.980 ( 15.497 15.497 -20.898) 30.283 7.757 ( -11.911 -11.911 7.737) 18.537 8.232 ( -1.205 -1.205 2.346) 2.900 8.722 ( 4.150 4.150 15.133) 16.231 10.195 ( -4.852 -4.852 -5.925) 9.066 10.257 ( -9.114 -9.114 2.754) 13.181 10.763 ( -2.895 -2.895 -0.671) 4.149 11.244 ( 10.878 10.878 -7.473) 17.103 11.838 ( 6.930 6.930 1.575) 9.926 12.428 ( -1.280 -1.280 8.003) 8.205 13.097 ( -3.393 -3.393 -3.746) 6.088 13.521 ( 1.784 1.784 -14.463) 14.681 15.035 ( -3.607 -3.607 -2.487) 5.675 16.822 ( -6.485 -6.485 -41.275) 42.281 18.693 ( -4.753 -4.753 46.481) 46.965 22.479 ( -12.917 -12.917 -16.418) 24.561 22.842 ( -0.724 -0.724 0.674) 1.226 23.092 ( 4.816 4.816 -3.231) 7.539 23.265 ( 1.603 1.603 15.085) 15.254 23.329 ( 7.359 7.359 6.566) 12.305 32.108 ( 0.293 0.293 -1.801) 1.848 32.209 ( 0.257 0.257 0.817) 0.894 32.285 ( 1.868 1.868 -1.245) 2.920 32.317 ( 0.632 0.632 1.181) 1.481 33.779 ( 7.713 7.713 6.964) 12.941 35.154 ( -0.842 -0.842 -12.200) 12.258 35.671 ( -4.007 -4.007 10.578) 12.001 36.569 ( -2.832 -2.832 -8.878) 9.740 ======================= Grid point 134 (29/84) ======================= q-point: ( 0.20 0.10 0.14) 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 6.643 20.686 -4.083) 22.106 1.596 ( 13.858 26.169 -3.791) 29.854 2.259 ( 39.403 -13.811 42.892) 59.859 3.327 ( 28.647 39.771 24.099) 54.618 4.131 ( 11.697 23.115 -4.026) 26.217 4.507 ( 21.670 17.396 -6.472) 28.533 5.129 ( 49.068 3.545 10.512) 50.306 5.842 ( -12.335 -21.399 -34.373) 42.327 7.206 ( -4.001 15.501 -12.873) 20.543 7.543 ( -4.627 -13.714 14.118) 20.219 8.219 ( 6.023 9.210 -2.721) 11.336 8.906 ( 12.114 1.105 11.004) 16.402 9.904 ( -16.804 4.777 4.963) 18.161 10.154 ( -5.734 -8.265 -4.532) 11.033 10.755 ( 1.051 -4.510 -0.404) 4.648 11.460 ( 9.512 3.264 -7.308) 12.432 11.999 ( 7.545 -1.702 -0.534) 7.753 12.401 ( -0.746 0.345 7.541) 7.586 12.951 ( -11.065 -3.325 -1.013) 11.598 13.454 ( -8.197 -6.373 -7.302) 12.693 14.971 ( -2.458 9.787 -10.534) 14.588 16.541 ( -21.499 5.837 -35.798) 42.163 18.721 ( 9.711 -17.013 40.654) 45.128 22.198 ( -17.207 -26.080 -10.634) 33.005 22.878 ( 5.087 -1.940 -0.741) 5.494 23.115 ( -0.752 11.055 0.464) 11.091 23.272 ( -0.673 13.750 9.248) 16.585 23.566 ( 13.403 2.850 3.918) 14.251 32.121 ( 0.864 0.070 -1.877) 2.068 32.214 ( 0.159 0.543 0.982) 1.133 32.291 ( -0.371 3.214 -0.415) 3.262 32.323 ( -0.700 -0.080 1.723) 1.862 33.995 ( 13.687 6.780 5.844) 16.355 35.153 ( 0.716 0.595 -10.409) 10.450 35.576 ( -5.064 -2.835 7.218) 9.262 36.465 ( -7.615 -4.025 -7.790) 11.613 ======================= Grid point 135 (30/84) ======================= q-point: ( 0.30 0.10 0.14) 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 20.482 -1.597 -27.544) 34.362 1.962 ( 20.522 35.415 -26.362) 48.686 2.909 ( 23.618 -5.819 26.563) 36.018 3.770 ( 19.535 19.553 4.831) 28.058 4.244 ( -4.441 18.516 -15.432) 24.510 4.783 ( 8.615 -0.917 -0.707) 8.692 5.825 ( 16.093 9.312 2.152) 18.717 6.259 ( 50.253 0.618 -0.139) 50.257 6.923 ( -15.280 -6.345 9.868) 19.264 7.404 ( -8.189 8.418 -5.739) 13.071 8.498 ( 10.403 10.651 13.273) 19.947 9.087 ( 7.636 1.002 -3.619) 8.509 9.799 ( 10.391 4.072 9.023) 14.351 10.007 ( -7.124 -10.040 -8.213) 14.799 10.710 ( -7.888 2.987 -1.753) 8.615 11.621 ( 6.935 -5.180 -5.591) 10.304 12.063 ( -1.983 -3.931 1.636) 4.697 12.418 ( 0.738 -5.173 5.287) 7.434 12.689 ( -12.728 -4.014 0.818) 13.371 13.240 ( -12.206 -9.156 -3.480) 15.650 14.951 ( 0.725 17.164 -13.969) 22.142 16.043 ( -26.533 14.471 -24.635) 38.991 19.080 ( 25.537 -22.280 28.105) 44.028 21.758 ( -27.233 -28.575 -0.945) 39.485 23.023 ( 7.040 1.505 -1.680) 7.392 23.116 ( 2.034 10.867 -1.965) 11.229 23.254 ( 0.136 15.782 4.409) 16.387 23.769 ( 5.988 1.391 0.611) 6.178 32.140 ( 1.005 -0.189 -1.261) 1.623 32.213 ( -0.260 0.635 0.941) 1.164 32.281 ( -0.689 1.937 0.277) 2.074 32.296 ( -1.677 0.966 0.809) 2.098 34.300 ( 16.489 5.569 4.465) 17.968 35.162 ( -0.848 1.307 -4.637) 4.892 35.502 ( -1.190 -1.743 1.235) 2.445 36.275 ( -11.353 -3.299 -6.509) 13.497 ======================= Grid point 136 (31/84) ======================= q-point: ( 0.40 0.10 0.14) 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 28.238 -5.638 -39.518) 48.896 2.292 ( 8.990 37.369 -25.277) 46.002 3.186 ( 8.268 -0.856 -10.966) 13.761 3.832 ( -20.041 -2.833 -38.052) 43.100 4.339 ( 24.328 5.902 12.683) 28.063 4.933 ( 3.848 2.035 7.947) 9.061 6.126 ( 7.759 20.197 13.307) 25.400 6.587 ( -9.904 -13.335 14.825) 22.264 6.884 ( 10.916 19.074 5.396) 22.629 7.574 ( 11.365 15.608 10.769) 22.107 8.532 ( 11.865 2.430 13.374) 18.043 9.385 ( 16.986 2.083 -10.329) 19.988 9.705 ( -14.315 -13.420 -9.663) 21.872 10.323 ( 3.682 7.031 -1.325) 8.047 10.469 ( 9.475 4.733 3.565) 11.175 11.651 ( -11.079 -5.003 -4.671) 13.023 11.974 ( -1.247 -7.600 6.447) 10.044 12.267 ( -11.556 -11.594 2.803) 16.608 12.650 ( 5.941 -6.504 0.664) 8.834 13.002 ( -11.307 -10.402 -1.575) 15.445 15.015 ( 6.127 20.866 -14.833) 26.324 15.556 ( -21.597 19.342 -17.630) 33.932 19.688 ( 34.677 -23.822 18.171) 45.827 21.137 ( -34.714 -26.976 5.847) 44.350 23.082 ( 1.272 14.280 0.867) 14.363 23.145 ( -1.181 15.543 -0.494) 15.596 23.385 ( 12.169 0.610 -3.816) 12.768 23.787 ( -4.063 0.134 -2.333) 4.687 32.162 ( 1.201 -0.163 -0.463) 1.297 32.204 ( -0.646 0.487 0.911) 1.218 32.263 ( -0.983 0.248 0.170) 1.028 32.268 ( -0.976 1.858 -0.282) 2.118 34.623 ( 15.506 4.286 3.209) 16.404 35.085 ( -7.002 2.015 1.037) 7.359 35.565 ( 7.348 -1.023 -3.908) 8.385 36.027 ( -13.307 -2.108 -5.416) 14.521 ======================= Grid point 137 (32/84) ======================= q-point: (-0.50 0.10 0.14) 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( -18.417 13.881 -31.910) 39.371 2.193 ( 18.417 13.881 -31.910) 39.371 3.424 ( -17.482 -2.063 -33.600) 37.932 3.424 ( 17.482 -2.063 -33.600) 37.932 4.800 ( -17.676 4.269 11.955) 21.762 4.800 ( 17.676 4.269 11.955) 21.762 6.293 ( -13.714 1.851 8.611) 16.299 6.293 ( 13.714 1.851 8.611) 16.299 7.319 ( -25.587 25.138 23.835) 43.066 7.319 ( 25.587 25.138 23.835) 43.066 9.136 ( -33.727 -14.382 -3.427) 36.825 9.136 ( 33.727 -14.382 -3.427) 36.825 9.884 ( -23.924 11.584 -8.456) 27.893 9.884 ( 23.924 11.584 -8.456) 27.893 11.141 ( -34.677 -1.827 3.088) 34.862 11.141 ( 34.677 -1.827 3.088) 34.862 12.077 ( -8.182 -11.636 2.538) 14.450 12.077 ( 8.182 -11.636 2.538) 14.450 12.802 ( -8.927 -9.896 -0.229) 13.329 12.802 ( 8.927 -9.896 -0.229) 13.329 15.207 ( -13.516 21.542 -15.203) 29.629 15.207 ( 13.516 21.542 -15.203) 29.629 20.413 ( -37.506 -25.090 11.343) 46.528 20.413 ( 37.506 -25.090 11.343) 46.528 23.111 ( -1.745 16.332 0.317) 16.428 23.111 ( 1.745 16.332 0.317) 16.428 23.629 ( -11.100 -0.919 -4.333) 11.951 23.629 ( 11.100 -0.919 -4.333) 11.951 32.186 ( -1.165 0.123 0.371) 1.229 32.186 ( 1.165 0.123 0.371) 1.229 32.255 ( -0.223 0.875 -0.339) 0.965 32.255 ( 0.223 0.875 -0.339) 0.965 34.896 ( -11.793 3.054 2.363) 12.409 34.896 ( 11.793 3.054 2.363) 12.409 35.767 ( -12.317 -1.195 -4.782) 13.267 35.767 ( 12.317 -1.195 -4.782) 13.267 ======================= Grid point 145 (33/84) ======================= q-point: ( 0.20 0.20 0.14) 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( 9.159 9.159 18.422) 22.520 1.935 ( 5.609 5.609 45.570) 46.256 2.312 ( 29.668 29.668 -21.237) 47.026 4.018 ( 14.593 14.593 10.884) 23.332 4.536 ( 20.140 20.140 -14.996) 32.189 5.105 ( 20.005 20.005 -17.184) 33.101 5.242 ( 22.132 22.132 6.380) 31.942 5.642 ( 14.818 14.818 -1.142) 20.987 7.001 ( -22.030 -22.030 32.534) 45.046 7.757 ( 17.661 17.661 -25.734) 35.862 8.317 ( 4.331 4.331 -17.771) 18.796 9.022 ( 10.220 10.220 19.558) 24.318 9.925 ( -7.684 -7.684 -7.504) 13.206 9.981 ( -4.852 -4.852 9.870) 12.021 10.680 ( -0.995 -0.995 1.670) 2.184 11.534 ( 2.719 2.719 -9.415) 10.170 11.968 ( -1.395 -1.395 5.199) 5.560 12.391 ( -1.571 -1.571 4.450) 4.974 12.796 ( -12.378 -12.378 1.448) 17.565 13.260 ( -12.786 -12.786 -5.951) 19.037 15.178 ( 10.118 10.118 -13.972) 19.999 16.613 ( -1.516 -1.516 -41.878) 41.933 18.441 ( -6.163 -6.163 44.895) 45.734 21.684 ( -25.791 -25.791 -12.158) 38.447 22.875 ( 2.665 2.665 1.946) 4.242 23.295 ( 5.587 5.587 -1.492) 8.040 23.484 ( 7.233 7.233 8.133) 13.068 23.679 ( 8.453 8.453 7.444) 14.083 32.126 ( 0.299 0.299 -1.655) 1.708 32.218 ( -0.099 -0.099 1.428) 1.435 32.302 ( -0.708 -0.708 2.048) 2.280 32.354 ( 1.259 1.259 -1.534) 2.350 34.186 ( 12.163 12.163 4.754) 17.846 35.177 ( 1.744 1.744 -9.371) 9.690 35.507 ( -3.699 -3.699 5.641) 7.693 36.354 ( -7.109 -7.109 -7.322) 12.437 ======================= Grid point 146 (34/84) ======================= q-point: ( 0.30 0.20 0.14) 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( -6.777 8.852 10.765) 15.497 2.356 ( 26.946 -18.210 28.453) 43.212 2.938 ( 27.859 29.295 -26.861) 48.536 3.855 ( -16.193 -21.661 -26.976) 38.198 4.687 ( -8.458 36.846 -6.139) 38.300 5.272 ( 10.280 37.785 12.958) 41.247 6.037 ( 37.439 9.038 8.300) 39.399 6.312 ( 30.014 7.727 11.073) 32.911 6.734 ( 12.390 -3.107 20.014) 23.743 7.802 ( -9.215 27.134 -26.440) 38.990 8.614 ( 19.086 -0.366 -9.989) 21.545 9.170 ( 3.014 6.148 8.996) 11.305 9.788 ( -14.296 -6.903 -1.265) 15.926 9.909 ( 12.081 3.220 8.298) 15.005 10.716 ( 1.840 -2.572 0.581) 3.216 11.534 ( -2.225 -2.745 -5.378) 6.435 11.936 ( -2.578 -8.757 4.823) 10.324 12.303 ( -10.655 -6.528 4.158) 13.170 12.511 ( -11.914 -13.873 1.693) 18.365 12.975 ( -15.116 -17.297 -4.313) 23.372 15.364 ( 8.878 22.623 -14.045) 28.070 16.427 ( -15.780 22.364 -31.471) 41.708 18.584 ( 19.725 -24.207 32.220) 44.869 21.149 ( -28.902 -31.527 -7.696) 43.457 23.002 ( 9.851 0.137 0.280) 9.855 23.362 ( 2.099 10.289 -2.712) 10.846 23.564 ( 1.610 13.001 7.710) 15.201 23.825 ( 4.279 4.416 5.740) 8.412 32.133 ( 0.526 -0.490 -0.894) 1.147 32.211 ( -0.482 -0.473 1.182) 1.361 32.286 ( -0.945 -0.207 1.208) 1.548 32.351 ( -1.239 2.327 -1.069) 2.845 34.459 ( 14.743 10.139 3.508) 18.233 35.206 ( 0.190 3.223 -5.147) 6.076 35.458 ( -0.065 -2.543 1.561) 2.984 36.185 ( -9.825 -5.591 -6.419) 12.999 ======================= Grid point 147 (35/84) ======================= q-point: ( 0.40 0.20 0.14) 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 21.334 -20.665 -29.006) 41.516 2.547 ( -17.824 -24.388 -23.447) 38.240 3.315 ( 20.467 10.519 -12.379) 26.130 3.879 ( 14.204 -3.490 -1.022) 14.662 4.475 ( -7.083 30.175 -0.291) 30.996 5.203 ( -18.019 10.484 27.420) 34.445 6.360 ( 13.422 22.122 9.349) 27.513 6.861 ( 16.247 27.903 -8.478) 33.383 7.319 ( 20.356 22.592 7.638) 31.355 7.803 ( 19.748 10.523 -6.831) 23.396 8.634 ( -10.122 6.148 10.127) 15.582 9.385 ( -17.837 -5.008 0.883) 18.547 9.507 ( 22.652 -1.716 -13.792) 26.576 10.395 ( 30.757 0.940 7.100) 31.579 10.606 ( -14.215 7.040 -1.565) 15.940 11.498 ( -3.061 -10.232 -1.369) 10.768 11.791 ( -13.723 -9.779 4.525) 17.448 11.970 ( -14.345 -17.746 5.175) 23.398 12.434 ( 1.183 -15.158 -0.008) 15.204 12.699 ( -11.991 -20.001 -1.951) 23.402 15.546 ( 9.980 30.799 -13.396) 35.038 16.082 ( -17.325 32.297 -19.386) 41.462 19.129 ( 33.078 -30.123 16.705) 47.756 20.527 ( -33.734 -32.726 -1.012) 47.011 23.228 ( 11.521 0.556 -2.801) 11.870 23.395 ( 1.232 10.920 -3.393) 11.501 23.582 ( 1.295 14.415 7.131) 16.134 23.819 ( -4.768 3.625 4.051) 7.231 32.148 ( 1.026 -1.056 -0.184) 1.484 32.198 ( -0.972 -0.771 0.747) 1.448 32.271 ( -0.243 0.394 0.270) 0.536 32.317 ( -1.957 2.116 -0.569) 2.938 34.747 ( 13.778 8.021 2.416) 16.125 35.149 ( -5.860 4.529 0.145) 7.408 35.538 ( 7.741 -1.658 -3.221) 8.547 35.969 ( -11.728 -3.576 -5.318) 13.365 ======================= Grid point 148 (36/84) ======================= q-point: (-0.50 0.20 0.14) 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( -34.402 -30.484 -43.864) 63.536 1.948 ( 34.402 -30.484 -43.864) 63.536 3.782 ( -21.161 15.633 -3.316) 26.517 3.782 ( 21.161 15.633 -3.316) 26.517 4.722 ( -25.954 3.260 23.714) 35.307 4.722 ( 25.954 3.260 23.714) 35.307 6.712 ( -18.838 36.517 -12.051) 42.821 6.712 ( 18.838 36.517 -12.051) 42.821 7.804 ( -23.143 21.589 15.891) 35.414 7.804 ( 23.143 21.589 15.891) 35.414 8.856 ( -28.842 -11.533 -2.329) 31.150 8.856 ( 28.842 -11.533 -2.329) 31.150 10.105 ( -30.321 9.973 -6.679) 32.610 10.105 ( 30.321 9.973 -6.679) 32.610 11.083 ( -33.014 -4.392 4.452) 33.601 11.083 ( 33.014 -4.392 4.452) 33.601 11.766 ( -8.222 -18.737 3.632) 20.781 11.766 ( 8.222 -18.737 3.632) 20.781 12.513 ( -6.685 -18.953 -0.539) 20.104 12.513 ( 6.685 -18.953 -0.539) 20.104 15.775 ( -13.395 34.091 -14.296) 39.320 15.775 ( 13.395 34.091 -14.296) 39.320 19.828 ( -36.206 -31.876 6.524) 48.678 19.828 ( 36.206 -31.876 6.524) 48.678 23.384 ( -3.433 7.953 -3.863) 9.484 23.384 ( 3.433 7.953 -3.863) 9.484 23.674 ( -8.021 7.060 5.157) 11.865 23.674 ( 8.021 7.060 5.157) 11.865 32.173 ( -1.383 -1.124 0.298) 1.807 32.173 ( 1.383 -1.124 0.298) 1.807 32.282 ( -1.328 1.295 -0.234) 1.869 32.282 ( 1.328 1.295 -0.234) 1.869 34.987 ( -10.258 6.088 1.580) 12.033 34.987 ( 10.258 6.088 1.580) 12.033 35.735 ( -11.471 -1.996 -4.410) 12.451 35.735 ( 11.471 -1.996 -4.410) 12.451 ======================= Grid point 157 (37/84) ======================= q-point: ( 0.30 0.30 0.14) 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( -3.343 -3.343 30.264) 30.631 1.931 ( -5.118 -5.118 40.528) 41.169 3.114 ( -28.582 -28.582 -40.149) 56.972 3.746 ( 27.423 27.423 -32.280) 50.458 5.044 ( -11.215 -11.215 34.882) 38.319 5.854 ( 21.156 21.156 -15.590) 33.738 6.371 ( 11.423 11.423 12.674) 20.533 6.566 ( 37.610 37.610 17.919) 56.125 7.109 ( 35.603 35.603 2.390) 50.408 8.264 ( 6.893 6.893 -18.062) 20.525 8.634 ( 13.380 13.380 -22.471) 29.377 9.153 ( -7.325 -7.325 -6.576) 12.270 9.839 ( -1.041 -1.041 11.331) 11.426 9.896 ( 7.031 7.031 16.400) 19.179 10.681 ( 1.503 1.503 1.301) 2.493 11.486 ( -4.750 -4.750 -3.591) 7.617 11.737 ( -9.815 -9.815 6.038) 15.137 12.102 ( -19.567 -19.567 3.020) 27.836 12.208 ( -10.389 -10.389 1.874) 14.812 12.585 ( -20.718 -20.718 -4.079) 29.582 15.797 ( 20.497 20.497 -12.305) 31.490 16.798 ( 10.590 10.590 -36.156) 39.135 18.280 ( -2.011 -2.011 33.996) 34.115 20.522 ( -31.924 -31.924 -8.764) 45.990 23.075 ( 7.345 7.345 2.504) 10.685 23.495 ( 3.907 3.907 -5.298) 7.654 23.743 ( 5.354 5.354 7.742) 10.829 23.913 ( 2.827 2.827 8.371) 9.277 32.125 ( -0.203 -0.203 -0.241) 0.375 32.200 ( -0.631 -0.631 0.640) 1.098 32.277 ( -0.654 -0.654 0.793) 1.219 32.366 ( -0.742 -0.742 -0.836) 1.342 34.687 ( 12.442 12.442 2.468) 17.767 35.282 ( 3.403 3.403 -5.120) 7.027 35.415 ( -0.719 -0.719 1.741) 2.017 36.055 ( -7.587 -7.587 -5.776) 12.185 ======================= Grid point 158 (38/84) ======================= q-point: ( 0.40 0.30 0.14) 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( -8.606 -0.399 6.437) 10.754 1.906 ( -21.254 -31.213 -13.776) 40.197 2.851 ( 16.687 -39.196 21.519) 47.727 4.013 ( -13.087 -11.548 13.197) 21.881 4.893 ( 11.174 23.315 -0.383) 25.857 5.762 ( -17.891 45.206 -11.236) 49.899 6.967 ( 32.472 11.469 4.904) 34.785 7.292 ( 33.883 31.282 -4.811) 46.365 7.842 ( 25.477 31.009 8.408) 41.004 8.149 ( -2.099 19.935 -13.532) 24.185 8.682 ( -14.285 3.155 -11.161) 18.400 9.332 ( 2.705 0.240 -6.717) 7.245 9.587 ( 8.175 9.015 7.265) 14.174 10.337 ( 27.470 -8.158 14.720) 32.216 10.715 ( -5.042 4.704 -2.249) 7.253 11.283 ( -10.746 -11.450 3.962) 16.195 11.572 ( -16.792 -15.875 3.579) 23.384 11.620 ( -18.104 -12.998 2.940) 22.480 12.072 ( -4.256 -20.146 -0.361) 20.593 12.230 ( -13.239 -26.364 -1.826) 29.558 16.171 ( 17.405 31.070 -10.753) 37.201 16.771 ( -10.612 35.486 -21.982) 43.070 18.561 ( 26.964 -25.912 16.265) 40.781 19.873 ( -33.678 -33.045 -5.363) 47.486 23.272 ( 11.544 4.812 1.367) 12.582 23.538 ( 0.341 4.487 -4.681) 6.494 23.801 ( 1.210 7.082 7.094) 10.096 23.904 ( -3.342 3.285 7.868) 9.158 32.130 ( 0.752 -0.606 0.115) 0.972 32.183 ( -1.211 -0.567 0.320) 1.375 32.268 ( 0.148 -0.758 0.279) 0.821 32.333 ( -2.260 -0.568 -0.465) 2.377 34.931 ( 11.641 10.180 1.546) 15.542 35.265 ( -4.614 7.106 -0.808) 8.511 35.498 ( 8.134 -2.480 -2.177) 8.778 35.885 ( -9.503 -5.045 -4.699) 11.741 ======================= Grid point 159 (39/84) ======================= q-point: (-0.50 0.30 0.14) 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( -26.307 -25.774 -27.490) 45.957 1.331 ( 26.307 -25.774 -27.490) 45.957 3.450 ( -34.866 -36.389 41.380) 65.208 3.450 ( 34.866 -36.389 41.380) 65.208 5.326 ( -24.753 43.900 -17.000) 53.187 5.326 ( 24.753 43.900 -17.000) 53.187 7.491 ( -18.555 30.752 -4.138) 36.154 7.491 ( 18.555 30.752 -4.138) 36.154 8.084 ( -21.476 11.558 -10.459) 26.536 8.084 ( 21.476 11.558 -10.459) 26.536 8.845 ( -30.397 13.778 11.304) 35.236 8.845 ( 30.397 13.778 11.304) 35.236 10.253 ( -35.423 3.957 -6.242) 36.186 10.253 ( 35.423 3.957 -6.242) 36.186 10.932 ( -29.504 -12.318 9.219) 33.275 10.932 ( 29.504 -12.318 9.219) 33.275 11.401 ( -9.593 -15.639 3.072) 18.602 11.401 ( 9.593 -15.639 3.072) 18.602 12.068 ( -3.871 -25.172 -0.896) 25.484 12.068 ( 3.871 -25.172 -0.896) 25.484 16.497 ( -15.599 37.522 -12.403) 42.486 16.497 ( 15.599 37.522 -12.403) 42.486 19.193 ( -34.407 -31.770 1.958) 46.872 19.193 ( 34.407 -31.770 1.958) 46.872 23.476 ( -7.411 4.003 -1.906) 8.636 23.476 ( 7.411 4.003 -1.906) 8.636 23.830 ( -2.721 5.800 7.156) 9.605 23.830 ( 2.721 5.800 7.156) 9.605 32.154 ( -1.549 -0.627 0.231) 1.686 32.154 ( 1.549 -0.627 0.231) 1.686 32.289 ( -1.852 -0.718 -0.144) 1.992 32.289 ( 1.852 -0.718 -0.144) 1.992 35.133 ( -8.533 8.372 0.689) 11.974 35.133 ( 8.533 8.372 0.689) 11.974 35.686 ( -10.222 -3.041 -3.586) 11.252 35.686 ( 10.222 -3.041 -3.586) 11.252 ======================= Grid point 169 (40/84) ======================= q-point: ( 0.40 0.40 0.14) 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( -10.410 -10.410 -7.250) 16.410 1.658 ( -4.530 -4.530 42.626) 43.105 2.171 ( -12.437 -12.437 24.712) 30.332 3.428 ( -38.571 -38.571 45.414) 70.979 5.531 ( 34.733 34.733 -25.892) 55.527 6.527 ( 12.706 12.706 -22.093) 28.478 6.882 ( 8.066 8.066 -8.886) 14.460 7.946 ( -6.053 -6.053 -9.105) 12.497 8.159 ( 24.682 24.682 9.568) 36.194 8.577 ( 33.230 33.230 0.816) 47.001 9.035 ( 8.972 8.972 -16.884) 21.120 9.404 ( 20.565 20.565 -11.098) 31.129 9.748 ( -3.250 -3.250 14.379) 15.096 10.188 ( 4.937 4.937 21.609) 22.709 10.823 ( 2.920 2.920 -4.145) 5.850 10.918 ( -24.366 -24.366 8.768) 35.556 11.229 ( -20.345 -20.345 6.081) 29.408 11.448 ( -4.428 -4.428 -1.364) 6.409 11.685 ( -19.550 -19.550 -2.250) 27.740 11.761 ( -14.879 -14.879 0.868) 21.060 16.750 ( 27.048 27.048 -8.112) 39.103 17.352 ( 15.517 15.517 -23.495) 32.149 18.208 ( -2.990 -2.990 14.855) 15.445 19.217 ( -33.224 -33.224 -6.543) 47.440 23.416 ( 9.005 9.005 3.249) 13.143 23.605 ( 2.138 2.138 -1.931) 3.587 23.870 ( 0.584 0.584 5.791) 5.849 23.911 ( -2.286 -2.286 7.012) 7.721 32.130 ( 0.633 0.633 0.234) 0.925 32.174 ( -0.575 -0.575 0.207) 0.839 32.249 ( -0.676 -0.676 0.070) 0.959 32.302 ( -2.224 -2.224 -0.324) 3.161 35.134 ( 9.853 9.853 0.715) 13.952 35.406 ( 1.951 1.951 -1.678) 3.229 35.449 ( 2.362 2.362 -1.028) 3.495 35.766 ( -7.031 -7.031 -3.625) 10.583 ======================= Grid point 170 (41/84) ======================= q-point: (-0.50 0.40 0.14) 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( -24.798 12.981 19.810) 34.292 1.170 ( 24.798 12.981 19.810) 34.292 2.638 ( -38.726 -42.879 48.296) 75.305 2.638 ( 38.726 -42.879 48.296) 75.305 6.173 ( -28.992 39.932 -24.247) 54.982 6.173 ( 28.992 39.932 -24.247) 54.982 7.459 ( -31.394 -21.605 -15.060) 40.978 7.459 ( 31.394 -21.605 -15.060) 40.978 8.735 ( -23.141 42.589 -1.672) 48.499 8.735 ( 23.141 42.589 -1.672) 48.499 9.280 ( -28.668 25.130 8.351) 39.028 9.280 ( 28.668 25.130 8.351) 39.028 10.200 ( -37.684 -10.227 -1.861) 39.092 10.200 ( 37.684 -10.227 -1.861) 39.092 10.599 ( -22.914 -19.157 11.981) 32.181 10.599 ( 22.914 -19.157 11.981) 32.181 11.193 ( -15.382 -6.450 0.972) 16.708 11.193 ( 15.382 -6.450 0.972) 16.708 11.583 ( -5.069 -20.634 -0.374) 21.251 11.583 ( 5.069 -20.634 -0.374) 21.251 17.227 ( -20.010 35.640 -9.460) 41.954 17.227 ( 20.010 35.640 -9.460) 41.954 18.570 ( -30.772 -31.289 -2.269) 43.943 18.570 ( 30.772 -31.289 -2.269) 43.943 23.580 ( -5.742 6.211 2.041) 8.701 23.580 ( 5.742 6.211 2.041) 8.701 23.868 ( -0.718 -1.609 5.236) 5.525 23.868 ( 0.718 -1.609 5.236) 5.525 32.152 ( -1.453 0.467 0.267) 1.549 32.152 ( 1.453 0.467 0.267) 1.549 32.259 ( -1.673 -1.947 -0.195) 2.575 32.259 ( 1.673 -1.947 -0.195) 2.575 35.307 ( -7.385 8.792 -0.180) 11.483 35.307 ( 7.385 8.792 -0.180) 11.483 35.608 ( -8.678 -4.930 -2.461) 10.280 35.608 ( 8.678 -4.930 -2.461) 10.280 ======================= Grid point 186 (42/84) ======================= q-point: (-0.50 -0.50 0.14) 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( -0.000 -0.000 49.308) 49.308 1.601 ( 0.000 0.000 49.308) 49.308 1.945 ( 0.000 0.000 42.135) 42.135 1.945 ( 0.000 0.000 42.135) 42.135 6.825 ( 0.000 0.000 -22.490) 22.490 6.825 ( 0.000 0.000 -22.490) 22.490 6.977 ( -0.000 -0.000 -22.027) 22.027 6.977 ( -0.000 -0.000 -22.027) 22.027 9.428 ( -0.000 -0.000 5.015) 5.015 9.428 ( -0.000 -0.000 5.015) 5.015 9.434 ( -0.000 -0.000 2.511) 2.511 9.434 ( 0.000 0.000 2.511) 2.511 10.149 ( -0.000 -0.000 8.134) 8.134 10.149 ( 0.000 0.000 8.134) 8.134 10.214 ( 0.000 0.000 3.808) 3.808 10.214 ( 0.000 0.000 3.808) 3.808 11.121 ( -0.000 -0.000 1.307) 1.307 11.121 ( -0.000 -0.000 1.307) 1.307 11.373 ( 0.000 0.000 0.634) 0.634 11.373 ( 0.000 0.000 0.634) 0.634 17.819 ( -0.000 -0.000 -5.483) 5.483 17.819 ( 0.000 0.000 -5.483) 5.483 18.024 ( -0.000 -0.000 -6.581) 6.581 18.024 ( 0.000 0.000 -6.581) 6.581 23.671 ( -0.000 -0.000 4.939) 4.939 23.671 ( 0.000 0.000 4.939) 4.939 23.822 ( -0.000 -0.000 2.897) 2.897 23.822 ( 0.000 0.000 2.897) 2.897 32.162 ( -0.000 -0.000 0.397) 0.397 32.162 ( 0.000 0.000 0.397) 0.397 32.233 ( 0.000 0.000 -0.341) 0.341 32.233 ( 0.000 0.000 -0.341) 0.341 35.443 ( 0.000 0.000 -0.841) 0.841 35.443 ( 0.000 0.000 -0.841) 0.841 35.513 ( -0.000 -0.000 -1.638) 1.638 35.513 ( 0.000 0.000 -1.638) 1.638 ======================= Grid point 242 (43/84) ======================= q-point: ( 0.00 0.00 0.29) 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 0.000 0.000 34.044) 34.044 1.891 ( 0.000 0.000 33.969) 33.969 2.192 ( -0.000 -0.000 39.019) 39.019 2.590 ( 0.000 0.000 39.074) 39.074 3.178 ( 0.000 0.000 8.445) 8.445 3.692 ( -0.000 -0.000 5.622) 5.622 5.010 ( 0.000 0.000 33.054) 33.054 5.735 ( 0.000 0.000 -29.399) 29.399 5.987 ( 0.000 0.000 -45.216) 45.216 7.386 ( 0.000 0.000 -32.244) 32.244 8.881 ( 0.000 0.000 12.249) 12.249 8.956 ( 0.000 0.000 25.579) 25.579 10.135 ( 0.000 0.000 -10.129) 10.129 10.223 ( -0.000 -0.000 -20.235) 20.235 10.776 ( -0.000 -0.000 2.544) 2.544 10.918 ( 0.000 0.000 -0.748) 0.748 11.938 ( -0.000 -0.000 14.185) 14.185 12.671 ( -0.000 -0.000 11.621) 11.621 12.840 ( 0.000 0.000 -12.487) 12.487 13.227 ( 0.000 0.000 -3.818) 3.818 15.394 ( 0.000 0.000 5.430) 5.430 16.285 ( 0.000 0.000 -27.264) 27.264 19.718 ( 0.000 0.000 48.763) 48.763 22.225 ( -0.000 -0.000 -28.478) 28.478 22.869 ( 0.000 0.000 -2.770) 2.770 22.883 ( 0.000 0.000 -2.002) 2.002 23.277 ( 0.000 0.000 4.512) 4.512 23.407 ( -0.000 -0.000 -0.236) 0.236 32.149 ( -0.000 -0.000 0.443) 0.443 32.186 ( 0.000 0.000 -0.660) 0.660 32.228 ( 0.000 0.000 0.312) 0.312 32.237 ( 0.000 0.000 -0.029) 0.029 33.844 ( 0.000 0.000 13.919) 13.919 34.898 ( 0.000 0.000 -17.442) 17.442 36.000 ( 0.000 0.000 10.000) 10.000 36.466 ( 0.000 0.000 -4.894) 4.894 ======================= Grid point 243 (44/84) ======================= q-point: ( 0.10 0.00 0.29) 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( -27.366 0.000 44.657) 52.375 1.781 ( 2.143 0.000 33.002) 33.071 2.496 ( 38.169 0.000 41.608) 56.464 2.899 ( 19.972 0.000 27.503) 33.990 3.428 ( 20.995 0.000 -4.553) 21.483 3.822 ( 18.153 0.000 8.486) 20.038 4.946 ( -0.846 0.000 14.085) 14.111 5.647 ( -8.273 0.000 -27.041) 28.278 6.164 ( 13.075 0.000 -33.685) 36.134 7.435 ( 6.528 0.000 -29.939) 30.643 8.756 ( -9.946 0.000 25.472) 27.345 9.011 ( 4.832 0.000 17.673) 18.322 10.075 ( -5.968 0.000 -9.858) 11.524 10.245 ( -0.869 0.000 -12.916) 12.946 10.734 ( -1.914 0.000 0.448) 1.966 11.021 ( 8.556 0.000 -6.312) 10.632 11.938 ( 2.086 0.000 12.553) 12.725 12.636 ( -2.799 0.000 9.222) 9.638 12.903 ( 2.510 0.000 -11.438) 11.710 13.275 ( 4.226 0.000 -6.625) 7.859 15.185 ( -17.874 0.000 6.709) 19.092 16.171 ( -11.780 0.000 -29.105) 31.399 19.710 ( -0.167 0.000 47.173) 47.173 22.181 ( -2.223 0.000 -29.213) 29.298 22.857 ( 0.213 0.000 -0.794) 0.822 22.930 ( 1.967 0.000 -3.274) 3.819 23.356 ( 6.160 0.000 5.420) 8.205 23.429 ( 1.594 0.000 3.926) 4.237 32.116 ( -0.810 0.000 1.183) 1.434 32.199 ( -0.283 0.000 -0.576) 0.642 32.243 ( 0.962 0.000 0.312) 1.012 32.298 ( 4.340 0.000 -1.320) 4.537 33.913 ( 6.868 0.000 13.114) 14.803 34.886 ( -0.378 0.000 -15.412) 15.417 35.929 ( -6.678 0.000 9.597) 11.691 36.430 ( -3.714 0.000 -7.365) 8.248 ======================= Grid point 244 (45/84) ======================= q-point: ( 0.20 0.00 0.29) 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( -29.341 0.000 43.302) 52.306 1.623 ( -15.245 0.000 26.563) 30.626 2.925 ( 2.550 0.000 7.297) 7.730 3.395 ( 11.325 0.000 24.930) 27.381 3.837 ( 30.244 0.000 1.212) 30.269 4.459 ( 35.745 0.000 4.738) 36.057 5.226 ( 28.326 0.000 -18.010) 33.567 5.525 ( 5.214 0.000 0.178) 5.217 6.333 ( 4.144 0.000 -26.998) 27.314 7.717 ( 20.998 0.000 -22.427) 30.723 8.526 ( -11.900 0.000 31.037) 33.240 9.162 ( 8.975 0.000 17.705) 19.850 9.904 ( -9.581 0.000 -3.544) 10.215 10.128 ( -9.566 0.000 -3.154) 10.073 10.723 ( -1.207 0.000 -3.729) 3.919 11.223 ( 11.477 0.000 -15.447) 19.244 12.039 ( 6.819 0.000 6.745) 9.591 12.581 ( -2.115 0.000 6.972) 7.286 12.877 ( -4.752 0.000 -5.360) 7.163 13.324 ( -0.860 0.000 -9.448) 9.487 14.817 ( -17.139 0.000 3.149) 17.426 15.834 ( -21.152 0.000 -29.467) 36.273 19.760 ( 6.531 0.000 43.668) 44.154 22.164 ( -1.002 0.000 -29.383) 29.400 22.872 ( 1.561 0.000 -0.381) 1.607 22.948 ( 0.156 0.000 -2.945) 2.949 23.294 ( -9.162 0.000 13.623) 16.417 23.591 ( 9.913 0.000 1.700) 10.057 32.119 ( 0.798 0.000 0.985) 1.267 32.192 ( -0.260 0.000 -0.454) 0.523 32.261 ( 0.712 0.000 0.675) 0.981 32.346 ( 0.222 0.000 -0.558) 0.601 34.108 ( 12.432 0.000 11.181) 16.720 34.914 ( 3.509 0.000 -12.506) 12.989 35.761 ( -9.639 0.000 7.683) 12.327 36.316 ( -7.700 0.000 -10.145) 12.736 ======================= Grid point 245 (46/84) ======================= q-point: ( 0.30 0.00 0.29) 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( -4.274 0.000 5.816) 7.218 1.326 ( -10.563 0.000 3.939) 11.274 2.864 ( -7.269 0.000 -13.724) 15.530 3.293 ( -15.458 0.000 -27.090) 31.190 4.170 ( 5.511 0.000 8.413) 10.058 5.073 ( -1.120 0.000 -6.839) 6.930 5.529 ( 39.836 0.000 7.363) 40.511 6.402 ( 46.053 0.000 19.152) 49.877 6.504 ( 28.046 0.000 -17.071) 32.832 7.952 ( -7.443 0.000 13.440) 15.363 8.509 ( 17.241 0.000 0.629) 17.252 9.159 ( -12.708 0.000 16.007) 20.438 9.911 ( -11.493 0.000 -9.754) 15.074 9.934 ( 16.377 0.000 7.576) 18.044 10.601 ( -11.728 0.000 -2.470) 11.985 11.451 ( 10.419 0.000 -17.529) 20.392 12.151 ( 3.588 0.000 5.124) 6.255 12.561 ( -1.622 0.000 0.544) 1.710 12.746 ( -6.182 0.000 3.936) 7.328 13.231 ( -7.778 0.000 -6.728) 10.284 14.552 ( -8.916 0.000 -5.072) 10.258 15.381 ( -23.365 0.000 -26.046) 34.990 19.998 ( 17.530 0.000 36.935) 40.884 22.044 ( -13.353 0.000 -17.342) 21.887 22.917 ( 1.000 0.000 -1.511) 1.812 22.977 ( 5.354 0.000 -5.409) 7.611 23.099 ( -8.182 0.000 13.480) 15.769 23.717 ( 1.882 0.000 -3.371) 3.861 32.138 ( 1.095 0.000 0.637) 1.267 32.190 ( 0.066 0.000 -0.299) 0.306 32.266 ( -0.200 0.000 0.615) 0.647 32.319 ( -2.395 0.000 0.305) 2.415 34.388 ( 15.277 0.000 9.010) 17.736 35.018 ( 6.335 0.000 -8.393) 10.515 35.572 ( -8.705 0.000 4.243) 9.684 36.130 ( -10.959 0.000 -10.670) 15.296 ======================= Grid point 246 (47/84) ======================= q-point: ( 0.40 0.00 0.29) 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( 22.804 0.000 -34.619) 41.455 1.299 ( 5.591 0.000 -25.712) 26.313 2.664 ( -11.416 0.000 -35.756) 37.534 2.896 ( -21.576 0.000 -50.383) 54.808 4.282 ( 7.451 0.000 3.514) 8.238 4.794 ( -17.580 0.000 -15.529) 23.456 6.420 ( 40.592 0.000 28.112) 49.376 6.856 ( 24.298 0.000 18.024) 30.253 7.449 ( 25.920 0.000 9.530) 27.616 7.652 ( -13.184 0.000 30.503) 33.230 8.842 ( 5.170 0.000 15.754) 16.580 9.008 ( 15.173 0.000 -19.383) 24.615 9.645 ( -15.016 0.000 -13.911) 20.469 10.056 ( -23.788 0.000 -8.997) 25.432 10.619 ( 28.330 0.000 12.520) 30.973 11.556 ( -3.136 0.000 -9.837) 10.325 12.184 ( 0.829 0.000 6.007) 6.064 12.404 ( -10.994 0.000 -0.402) 11.002 12.763 ( 5.731 0.000 4.086) 7.038 13.058 ( -8.784 0.000 -3.419) 9.427 14.478 ( 1.664 0.000 -12.900) 13.007 14.944 ( -19.955 0.000 -21.719) 29.494 20.442 ( 26.758 0.000 27.387) 38.289 21.623 ( -27.551 0.000 2.124) 27.633 22.918 ( -0.099 0.000 -0.270) 0.288 22.968 ( -3.502 0.000 4.938) 6.054 23.190 ( 12.693 0.000 -9.209) 15.682 23.659 ( -7.332 0.000 -8.302) 11.076 32.162 ( 1.280 0.000 0.452) 1.357 32.194 ( 0.187 0.000 0.043) 0.192 32.254 ( -0.876 0.000 0.057) 0.878 32.269 ( -2.333 0.000 0.043) 2.333 34.691 ( 14.767 0.000 7.237) 16.445 35.097 ( -1.252 0.000 0.847) 1.512 35.478 ( 1.760 0.000 -4.054) 4.420 35.891 ( -12.882 0.000 -9.855) 16.219 ======================= Grid point 247 (48/84) ======================= q-point: (-0.50 0.00 0.29) 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( -12.590 0.000 -34.668) 36.883 1.286 ( 12.590 0.000 -34.668) 36.883 2.575 ( -6.947 0.000 -54.022) 54.467 2.575 ( 6.947 0.000 -54.022) 54.467 4.483 ( -13.041 0.000 -6.185) 14.433 4.483 ( 13.041 0.000 -6.185) 14.433 7.047 ( -20.944 0.000 25.743) 33.186 7.047 ( 20.944 0.000 25.743) 33.186 7.496 ( -18.776 0.000 30.244) 35.598 7.496 ( 18.776 0.000 30.244) 35.598 9.271 ( -27.136 0.000 -10.366) 29.048 9.271 ( 27.136 0.000 -10.366) 29.048 9.433 ( -28.662 0.000 -11.204) 30.774 9.433 ( 28.662 0.000 -11.204) 30.774 11.235 ( -27.611 0.000 4.350) 27.951 11.235 ( 27.611 0.000 4.350) 27.951 12.241 ( -5.389 0.000 1.842) 5.696 12.241 ( 5.389 0.000 1.842) 5.696 12.897 ( -7.464 0.000 -0.157) 7.465 12.897 ( 7.464 0.000 -0.157) 7.465 14.619 ( -12.263 0.000 -17.983) 21.767 14.619 ( 12.263 0.000 -17.983) 21.767 21.026 ( -31.114 0.000 16.197) 35.078 21.026 ( 31.114 0.000 16.197) 35.078 22.925 ( -1.065 0.000 1.588) 1.912 22.925 ( 1.065 0.000 1.588) 1.912 23.452 ( -12.753 0.000 -10.881) 16.764 23.452 ( 12.753 0.000 -10.881) 16.764 32.187 ( -1.038 0.000 0.496) 1.150 32.187 ( 1.038 0.000 0.496) 1.150 32.242 ( -0.156 0.000 -0.442) 0.469 32.242 ( 0.156 0.000 -0.442) 0.469 34.954 ( -11.309 0.000 5.953) 12.780 34.954 ( 11.309 0.000 5.953) 12.780 35.638 ( -11.901 0.000 -8.732) 14.761 35.638 ( 11.901 0.000 -8.732) 14.761 ======================= Grid point 254 (49/84) ======================= q-point: ( 0.10 0.10 0.29) 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( -17.939 -17.939 45.946) 52.484 2.092 ( 15.625 15.625 32.670) 39.441 2.443 ( 15.834 15.834 42.832) 48.332 3.310 ( 28.197 28.197 15.065) 42.627 3.718 ( 25.357 25.357 -9.411) 37.074 3.864 ( 8.204 8.204 13.528) 17.822 4.863 ( -4.639 -4.639 -6.788) 9.440 5.506 ( -6.525 -6.525 -10.585) 14.042 6.435 ( 18.177 18.177 -31.426) 40.600 7.433 ( 1.504 1.504 -29.017) 29.095 8.643 ( -10.337 -10.337 27.863) 31.465 9.065 ( 5.717 5.717 18.054) 19.782 10.022 ( -5.667 -5.667 -10.970) 13.586 10.245 ( -1.026 -1.026 -6.570) 6.729 10.739 ( -0.617 -0.617 -0.356) 0.943 11.069 ( 5.989 5.989 -8.713) 12.152 11.963 ( 3.059 3.059 10.543) 11.396 12.623 ( -1.526 -1.526 9.276) 9.524 12.927 ( 0.483 0.483 -11.336) 11.356 13.290 ( 1.085 1.085 -8.361) 8.500 15.066 ( -10.454 -10.454 5.226) 15.680 16.088 ( -8.482 -8.482 -30.803) 33.056 19.643 ( -5.147 -5.147 46.588) 47.153 22.030 ( -11.204 -11.204 -27.534) 31.767 22.852 ( 0.675 0.675 0.599) 1.127 23.007 ( 4.326 4.326 -4.368) 7.518 23.445 ( 8.083 8.083 5.578) 12.719 23.498 ( 4.602 4.602 6.418) 9.140 32.104 ( -0.229 -0.229 1.135) 1.180 32.230 ( 0.929 0.929 1.173) 1.761 32.249 ( 1.098 1.098 -2.152) 2.654 32.319 ( 1.876 1.876 -0.778) 2.765 33.978 ( 6.489 6.489 12.315) 15.357 34.885 ( 0.388 0.388 -14.277) 14.287 35.869 ( -5.771 -5.771 9.005) 12.153 36.389 ( -4.073 -4.073 -8.674) 10.412 ======================= Grid point 255 (50/84) ======================= q-point: ( 0.20 0.10 0.29) 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( -16.707 3.768 26.798) 31.803 1.940 ( -19.064 30.236 31.508) 47.649 3.011 ( 17.237 4.631 22.814) 28.967 3.734 ( 14.818 13.800 15.181) 25.307 3.914 ( -1.007 17.051 -21.074) 27.127 4.438 ( 34.962 8.583 7.914) 36.860 5.083 ( 30.992 -7.712 -19.453) 37.395 5.614 ( 23.501 7.109 15.704) 29.145 6.624 ( -0.705 25.007 -31.650) 40.343 7.623 ( 17.869 -9.192 -19.598) 28.069 8.399 ( -12.048 -11.555 26.345) 31.188 9.236 ( 9.794 6.833 18.456) 21.982 9.870 ( -7.616 -4.883 -8.987) 12.752 10.142 ( -9.688 2.629 3.139) 10.518 10.732 ( -0.135 -0.176 -1.629) 1.644 11.235 ( 9.440 2.002 -14.359) 17.300 12.055 ( 5.398 1.414 6.688) 8.710 12.581 ( -2.337 -0.923 8.073) 8.454 12.868 ( -6.555 -1.590 -6.478) 9.352 13.273 ( -3.859 -5.413 -9.255) 11.395 14.846 ( -10.119 3.140 -0.272) 10.599 15.840 ( -15.986 0.512 -31.387) 35.227 19.592 ( 1.859 -14.380 43.489) 45.843 21.827 ( -9.654 -25.654 -25.067) 37.144 22.886 ( 3.064 1.162 1.106) 3.458 23.059 ( 1.219 8.043 -4.050) 9.088 23.507 ( -2.893 15.103 10.689) 18.728 23.652 ( 9.723 6.275 3.942) 12.225 32.112 ( 0.866 -0.125 0.904) 1.258 32.230 ( -0.363 1.956 0.132) 1.994 32.272 ( 0.801 1.637 -0.660) 1.938 32.343 ( -0.114 -0.282 -0.096) 0.319 34.163 ( 11.874 5.558 10.403) 16.736 34.923 ( 3.732 1.128 -12.079) 12.693 35.721 ( -8.539 -3.861 7.201) 11.818 36.273 ( -7.490 -4.124 -10.385) 13.452 ======================= Grid point 256 (51/84) ======================= q-point: ( 0.30 0.10 0.29) 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 1.193 27.576 2.277) 27.696 1.583 ( -10.514 23.452 3.161) 25.894 2.960 ( -17.058 0.125 -22.396) 28.153 3.512 ( -20.810 20.028 -32.140) 43.211 4.264 ( 21.238 9.667 24.921) 34.141 4.956 ( 15.892 3.093 11.953) 20.125 5.783 ( 31.833 15.876 -7.040) 36.262 6.430 ( 42.354 5.145 5.986) 43.083 6.650 ( 19.434 13.681 -8.195) 25.140 7.791 ( -8.012 -14.436 20.786) 26.545 8.427 ( 19.263 -7.071 -10.156) 22.896 9.253 ( -10.355 5.312 10.457) 15.646 9.829 ( -9.314 -4.519 -4.209) 11.176 9.999 ( 11.781 5.685 9.212) 15.999 10.665 ( -8.138 4.792 -1.969) 9.647 11.418 ( 8.640 -2.645 -14.800) 17.340 12.133 ( 1.504 -2.196 5.483) 6.095 12.535 ( -4.150 -3.298 3.202) 6.193 12.695 ( -8.179 -5.254 1.476) 9.833 13.136 ( -9.090 -9.581 -6.481) 14.711 14.702 ( -3.976 14.545 -7.478) 16.831 15.487 ( -18.721 10.558 -27.485) 34.891 19.752 ( 14.321 -21.864 35.764) 44.297 21.593 ( -15.360 -34.406 -16.259) 41.037 22.991 ( 7.675 1.147 -0.903) 7.812 23.073 ( 0.621 10.818 -2.521) 11.126 23.403 ( -6.331 22.425 9.750) 25.259 23.775 ( 1.755 5.997 -0.481) 6.268 32.134 ( 1.267 -0.164 0.678) 1.447 32.222 ( -0.338 1.681 -0.222) 1.729 32.277 ( -0.392 1.581 -0.006) 1.629 32.315 ( -2.294 -0.314 0.469) 2.363 34.432 ( 14.700 4.445 8.289) 17.452 35.028 ( 6.212 1.080 -8.325) 10.443 35.553 ( -7.665 -1.763 4.078) 8.859 36.095 ( -10.333 -3.261 -10.584) 15.147 ======================= Grid point 257 (52/84) ======================= q-point: ( 0.40 0.10 0.29) 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 9.184 9.410 -14.402) 19.501 1.643 ( 6.749 27.959 -34.275) 44.744 2.545 ( -16.236 -14.299 -47.202) 51.924 3.093 ( -22.143 27.807 -33.640) 48.940 4.614 ( 14.925 29.742 10.914) 35.020 5.065 ( -4.212 19.441 0.675) 19.903 6.238 ( 20.352 -3.112 10.663) 23.186 6.915 ( 10.477 -13.258 10.393) 19.838 7.341 ( 19.538 8.621 30.848) 37.519 7.776 ( 21.166 2.846 12.548) 24.770 8.728 ( 1.381 -5.350 -2.258) 5.969 9.168 ( 14.529 6.916 -9.918) 18.902 9.495 ( -20.058 -7.295 -4.804) 21.877 10.214 ( -15.799 11.446 -8.492) 21.278 10.642 ( 24.077 2.266 12.381) 27.169 11.521 ( -1.623 -3.358 -8.800) 9.557 12.108 ( -2.744 -7.453 6.364) 10.177 12.320 ( -13.015 -8.250 1.567) 15.489 12.683 ( 4.227 -8.194 2.867) 9.656 12.951 ( -8.906 -10.721 -3.461) 14.361 14.699 ( 3.746 21.186 -13.302) 25.295 15.130 ( -16.674 18.243 -22.062) 33.130 20.141 ( 24.095 -26.893 24.581) 43.681 21.196 ( -24.283 -34.764 -2.138) 42.459 23.090 ( 1.563 12.863 -0.240) 12.960 23.153 ( 4.551 4.351 0.467) 6.314 23.326 ( 2.324 20.698 0.132) 20.829 23.716 ( -7.352 6.094 -4.748) 10.664 32.162 ( 1.606 -0.076 0.545) 1.697 32.217 ( -0.250 1.094 0.209) 1.141 32.257 ( -1.533 0.766 -0.361) 1.751 32.270 ( -1.827 0.490 0.092) 1.894 34.723 ( 14.174 3.312 6.590) 15.978 35.106 ( -0.964 1.018 0.276) 1.430 35.475 ( 2.008 -0.314 -3.646) 4.174 35.870 ( -12.184 -1.949 -9.646) 15.662 ======================= Grid point 258 (53/84) ======================= q-point: (-0.50 0.10 0.29) 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( -23.780 0.087 -38.049) 44.869 1.422 ( 23.780 0.087 -38.049) 44.869 2.643 ( -20.786 17.980 -43.279) 51.268 2.643 ( 20.786 17.980 -43.279) 51.268 4.881 ( -12.231 33.717 -0.593) 35.872 4.881 ( 12.231 33.717 -0.593) 35.872 6.678 ( -22.316 -23.229 24.549) 40.500 6.678 ( 22.316 -23.229 24.549) 40.500 7.811 ( -21.460 18.787 23.057) 36.676 7.811 ( 21.460 18.787 23.057) 36.676 8.999 ( -26.053 -15.303 -10.833) 32.098 8.999 ( 26.053 -15.303 -10.833) 32.098 9.692 ( -29.689 15.034 -8.759) 34.412 9.692 ( 29.689 15.034 -8.759) 34.412 11.224 ( -26.793 -1.187 4.573) 27.206 11.224 ( 26.793 -1.187 4.573) 27.206 12.132 ( -5.918 -10.485 2.463) 12.290 12.132 ( 5.918 -10.485 2.463) 12.290 12.795 ( -6.809 -10.253 -0.392) 12.314 12.795 ( 6.809 -10.253 -0.392) 12.314 14.849 ( -11.216 22.229 -17.616) 30.500 14.849 ( 11.216 22.229 -17.616) 30.500 20.667 ( -27.869 -31.089 11.830) 43.396 20.667 ( 27.869 -31.089 11.830) 43.396 23.134 ( -2.751 14.500 2.176) 14.918 23.134 ( 2.751 14.500 2.176) 14.918 23.514 ( -11.984 7.710 -6.629) 15.716 23.514 ( 11.984 7.710 -6.629) 15.716 32.197 ( -1.763 0.164 0.682) 1.898 32.197 ( 1.763 0.164 0.682) 1.898 32.245 ( -0.644 0.852 -0.626) 1.238 32.245 ( 0.644 0.852 -0.626) 1.238 34.974 ( -10.646 2.097 5.301) 12.077 34.974 ( 10.646 2.097 5.301) 12.077 35.629 ( -11.382 -0.746 -8.362) 14.143 35.629 ( 11.382 -0.746 -8.362) 14.143 ======================= Grid point 266 (54/84) ======================= q-point: ( 0.20 0.20 0.29) 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 14.098 14.098 -13.336) 23.986 2.429 ( -2.032 -2.032 20.252) 20.455 2.944 ( 4.611 4.611 48.549) 48.985 3.597 ( -16.637 -16.637 -31.087) 38.987 4.582 ( 27.699 27.699 -6.419) 39.695 4.784 ( 23.989 23.989 -3.644) 34.121 5.332 ( 34.336 34.336 6.259) 48.960 5.856 ( 23.828 23.828 17.002) 37.744 7.124 ( 14.701 14.701 -30.908) 37.250 7.426 ( -2.709 -2.709 -6.279) 7.356 8.144 ( -10.992 -10.992 12.647) 20.040 9.360 ( 1.030 1.030 7.529) 7.668 9.770 ( 0.104 0.104 -1.691) 1.697 10.185 ( -1.062 -1.062 8.554) 8.684 10.714 ( -0.303 -0.303 1.586) 1.642 11.307 ( 4.371 4.371 -13.071) 14.459 12.079 ( 0.436 0.436 6.597) 6.626 12.526 ( -4.437 -4.437 7.418) 9.716 12.775 ( -8.589 -8.589 -4.200) 12.853 13.103 ( -11.454 -11.454 -8.340) 18.220 14.941 ( 6.207 6.207 -6.594) 10.979 15.840 ( -1.026 -1.026 -33.571) 33.602 19.322 ( -9.907 -9.907 41.628) 43.922 21.332 ( -23.102 -23.102 -22.139) 39.466 22.924 ( 3.240 3.240 2.851) 5.396 23.192 ( 4.820 4.820 -6.018) 9.093 23.731 ( 6.503 6.503 11.571) 14.781 23.819 ( 8.969 8.969 6.011) 14.037 32.117 ( 0.536 0.536 0.846) 1.135 32.239 ( -0.409 -0.409 0.427) 0.719 32.315 ( 1.591 1.591 -1.647) 2.788 32.334 ( -0.657 -0.657 0.681) 1.152 34.324 ( 10.431 10.431 8.556) 17.054 34.970 ( 3.767 3.767 -10.764) 12.011 35.622 ( -5.788 -5.788 5.935) 10.111 36.164 ( -6.706 -6.706 -10.659) 14.267 ======================= Grid point 267 (55/84) ======================= q-point: ( 0.30 0.20 0.29) 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 3.680 27.846 -2.538) 28.202 2.069 ( -11.198 14.180 -19.307) 26.443 2.695 ( -28.196 -6.973 -16.073) 33.196 3.800 ( 25.004 -20.453 24.614) 40.612 4.517 ( -6.467 43.823 -7.777) 44.975 5.620 ( 17.733 38.947 18.570) 46.649 5.898 ( 41.885 7.735 -13.744) 44.756 6.695 ( 39.548 16.978 16.727) 46.174 7.003 ( -1.183 18.389 -9.294) 20.638 7.513 ( -4.386 -5.973 12.707) 14.710 8.263 ( 25.665 -8.769 -18.935) 33.078 9.185 ( -14.410 -12.691 -12.256) 22.780 9.888 ( -3.154 10.742 14.372) 18.217 10.140 ( 8.659 7.574 11.792) 16.473 10.726 ( -0.705 0.441 0.665) 1.065 11.381 ( 3.148 -0.511 -10.128) 10.618 12.047 ( -4.210 -6.695 6.179) 10.036 12.414 ( -8.601 -8.880 5.151) 13.393 12.530 ( -13.249 -11.603 0.027) 17.612 12.857 ( -12.260 -18.058 -6.506) 22.775 15.083 ( 7.911 22.335 -10.673) 25.988 15.779 ( -5.461 17.700 -30.103) 35.345 19.272 ( 5.448 -23.450 33.819) 41.513 20.899 ( -21.552 -33.856 -16.883) 43.541 23.029 ( 7.459 3.423 2.311) 8.526 23.264 ( 3.005 7.470 -5.353) 9.668 23.778 ( -0.902 13.989 10.746) 17.663 23.937 ( 1.978 8.960 4.681) 10.301 32.131 ( 0.875 -0.152 0.771) 1.177 32.226 ( -0.813 -0.783 0.030) 1.129 32.309 ( -1.664 -0.318 0.905) 1.921 32.326 ( -0.543 2.246 -1.140) 2.577 34.562 ( 13.138 8.583 6.572) 17.014 35.069 ( 5.788 3.294 -7.961) 10.379 35.509 ( -5.035 -2.550 3.709) 6.753 36.011 ( -8.704 -5.062 -10.172) 14.313 ======================= Grid point 268 (56/84) ======================= q-point: ( 0.40 0.20 0.29) 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( -18.050 7.301 11.478) 22.602 1.785 ( -31.888 -11.708 -32.958) 47.330 2.675 ( 28.255 33.105 -41.505) 60.141 3.840 ( -19.831 34.934 -21.325) 45.480 4.783 ( 30.123 -8.765 34.760) 46.824 5.706 ( -5.440 36.236 19.144) 41.342 6.523 ( 9.962 -3.867 -3.729) 11.319 6.629 ( -8.384 29.836 -3.495) 31.188 7.533 ( 17.433 0.270 9.761) 19.982 7.825 ( 42.009 10.336 11.630) 44.798 8.623 ( -4.302 -8.421 -10.488) 14.121 9.095 ( 12.560 -6.929 -22.293) 26.509 9.611 ( -11.692 14.004 16.558) 24.637 10.428 ( -4.476 9.685 -5.430) 11.972 10.697 ( 13.700 2.636 11.722) 18.222 11.434 ( 0.292 -5.127 -5.473) 7.505 11.906 ( -9.385 -12.442 6.285) 16.804 12.087 ( -17.637 -14.966 5.016) 23.669 12.437 ( 0.525 -16.374 0.665) 16.396 12.641 ( -9.296 -20.246 -3.576) 22.563 15.251 ( 9.080 32.707 -13.074) 36.375 15.631 ( -9.026 30.964 -22.569) 39.365 19.523 ( 18.744 -32.888 20.349) 42.978 20.451 ( -23.881 -38.319 -7.086) 45.704 23.203 ( 9.008 3.745 0.189) 9.757 23.319 ( 2.313 8.454 -3.491) 9.435 23.739 ( -1.704 17.276 7.503) 18.912 23.894 ( -5.646 10.395 2.855) 12.169 32.152 ( 1.262 -0.847 0.627) 1.644 32.208 ( -1.061 -1.217 0.098) 1.618 32.277 ( -1.128 0.678 0.307) 1.352 32.303 ( -1.517 2.026 -0.667) 2.618 34.823 ( 12.573 6.646 5.021) 15.082 35.146 ( -0.313 3.171 -1.024) 3.347 35.468 ( 2.695 -0.383 -2.539) 3.722 35.821 ( -10.373 -2.881 -8.901) 13.969 ======================= Grid point 269 (57/84) ======================= q-point: (-0.50 0.20 0.29) 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( -17.964 -10.107 -18.190) 27.491 1.225 ( 17.964 -10.107 -18.190) 27.491 3.305 ( -31.510 39.901 -37.073) 62.924 3.305 ( 31.510 39.901 -37.073) 62.924 5.378 ( -26.165 1.688 32.821) 42.008 5.378 ( 26.165 1.688 32.821) 42.008 6.550 ( -3.183 23.709 -3.017) 24.112 6.550 ( 3.183 23.709 -3.017) 24.112 8.004 ( -22.003 -3.264 1.307) 22.282 8.004 ( 22.003 -3.264 1.307) 22.282 8.841 ( -28.959 3.333 2.150) 29.229 8.841 ( 28.959 3.333 2.150) 29.229 9.960 ( -31.607 11.682 -6.599) 34.337 9.960 ( 31.607 11.682 -6.599) 34.337 11.188 ( -24.704 -2.447 5.309) 25.386 11.188 ( 24.704 -2.447 5.309) 25.386 11.852 ( -6.288 -16.999 4.349) 18.639 11.852 ( 6.288 -16.999 4.349) 18.639 12.496 ( -5.207 -19.678 -1.143) 20.387 12.496 ( 5.207 -19.678 -1.143) 20.387 15.440 ( -9.825 35.753 -16.436) 40.558 15.440 ( 9.825 35.753 -16.436) 40.558 19.964 ( -24.509 -37.533 5.839) 45.205 19.964 ( 24.509 -37.533 5.839) 45.205 23.328 ( -2.537 6.393 -1.547) 7.050 23.328 ( 2.537 6.393 -1.547) 7.050 23.767 ( -5.201 14.464 3.733) 15.818 23.767 ( 5.201 14.464 3.733) 15.818 32.181 ( -1.553 -1.288 0.432) 2.064 32.181 ( 1.553 -1.288 0.432) 2.064 32.276 ( -0.932 1.500 -0.349) 1.800 32.276 ( 0.932 1.500 -0.349) 1.800 35.041 ( -8.973 4.686 3.694) 10.776 35.041 ( 8.973 4.686 3.694) 10.776 35.612 ( -10.084 -0.942 -7.227) 12.442 35.612 ( 10.084 -0.942 -7.227) 12.442 ======================= Grid point 278 (58/84) ======================= q-point: ( 0.30 0.30 0.29) 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( -29.657 -29.657 -27.911) 50.380 2.326 ( 18.857 18.857 -18.808) 32.634 3.027 ( 7.566 7.566 28.947) 30.862 3.335 ( 3.728 3.728 18.333) 19.077 5.420 ( 12.669 12.669 -18.151) 25.504 5.534 ( 7.483 7.483 -0.495) 10.595 6.595 ( 8.582 8.582 15.346) 19.565 7.049 ( 27.530 27.530 22.757) 45.097 7.208 ( 25.495 25.495 9.154) 37.200 7.862 ( 17.406 17.406 -19.702) 31.529 8.180 ( 12.531 12.531 -20.780) 27.311 8.857 ( -17.171 -17.171 -20.439) 31.740 10.100 ( 2.331 2.331 13.410) 13.809 10.284 ( 11.164 11.164 18.571) 24.374 10.711 ( -0.071 -0.071 2.293) 2.295 11.388 ( 0.084 0.084 -6.422) 6.424 11.865 ( -11.543 -11.543 6.208) 17.465 12.185 ( -16.168 -16.168 4.352) 23.275 12.243 ( -14.804 -14.804 0.956) 20.957 12.472 ( -18.633 -18.633 -6.175) 27.064 15.533 ( 22.056 22.056 -11.182) 33.135 16.120 ( 14.757 14.757 -29.695) 36.295 18.919 ( -10.375 -10.375 28.921) 32.429 20.271 ( -29.601 -29.601 -15.526) 44.648 23.139 ( 7.621 7.621 3.571) 11.354 23.381 ( 4.803 4.803 -5.212) 8.561 23.950 ( 3.959 3.959 10.447) 11.852 24.066 ( 2.932 2.932 6.250) 7.500 32.129 ( 0.053 0.053 0.776) 0.780 32.206 ( -1.004 -1.004 -0.201) 1.435 32.296 ( -1.034 -1.034 0.976) 1.758 32.345 ( -0.337 -0.337 -1.072) 1.174 34.761 ( 11.039 11.039 4.736) 16.314 35.158 ( 5.319 5.319 -6.863) 10.183 35.460 ( -2.139 -2.139 3.020) 4.275 35.898 ( -6.358 -6.358 -9.126) 12.811 ======================= Grid point 279 (59/84) ======================= q-point: ( 0.40 0.30 0.29) 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( -9.062 -12.393 -12.037) 19.509 2.045 ( -37.016 31.017 35.905) 60.178 3.317 ( 30.761 17.146 -14.283) 38.003 3.891 ( 25.941 -12.627 13.060) 31.670 5.067 ( -15.332 25.067 -4.260) 29.691 5.714 ( -17.954 -10.954 17.030) 27.062 6.816 ( 26.059 -3.993 -15.502) 30.583 7.346 ( 10.199 47.353 6.283) 48.845 7.815 ( -7.220 37.003 -11.876) 39.527 8.070 ( 22.432 6.959 2.860) 23.660 8.411 ( 9.094 -3.277 -10.345) 14.158 9.046 ( 36.115 0.782 -15.464) 39.294 9.902 ( -14.823 13.897 17.451) 26.783 10.595 ( 4.878 6.956 0.271) 8.501 10.708 ( 5.920 -2.315 11.157) 12.841 11.337 ( -4.608 -4.303 0.039) 6.305 11.630 ( -10.967 -15.544 3.527) 19.347 11.749 ( -22.934 -18.310 7.583) 30.311 12.049 ( -5.410 -22.157 -2.120) 22.906 12.179 ( -10.821 -24.747 -2.862) 27.161 15.929 ( 17.432 34.274 -11.038) 40.005 16.295 ( 1.973 34.330 -22.573) 41.134 18.904 ( 8.823 -28.436 16.320) 33.953 19.715 ( -26.715 -35.688 -10.005) 45.688 23.316 ( 9.371 7.687 2.714) 12.421 23.460 ( 2.855 6.589 -2.873) 7.734 23.971 ( -0.718 6.222 8.359) 10.445 24.050 ( -3.680 4.118 5.983) 8.142 32.137 ( 0.769 -0.504 0.631) 1.115 32.186 ( -1.129 -0.818 -0.139) 1.401 32.277 ( -0.531 -0.801 0.545) 1.105 32.320 ( -1.846 -0.425 -0.712) 2.024 34.980 ( 10.503 8.887 3.273) 14.142 35.235 ( 0.419 5.772 -2.420) 6.273 35.457 ( 3.393 -0.849 -0.997) 3.637 35.757 ( -7.934 -3.686 -7.486) 11.515 ======================= Grid point 280 (60/84) ======================= q-point: (-0.50 0.30 0.29) 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( -31.374 20.922 27.512) 46.679 1.314 ( 31.374 20.922 27.512) 46.679 3.904 ( -22.996 10.571 -9.235) 26.941 3.904 ( 22.996 10.571 -9.235) 26.941 5.196 ( -26.001 -1.574 16.648) 30.914 5.196 ( 26.001 -1.574 16.648) 30.914 7.311 ( -17.338 22.388 -15.924) 32.487 7.311 ( 17.338 22.388 -15.924) 32.487 7.854 ( -14.133 10.853 -9.281) 20.091 7.854 ( 14.133 10.853 -9.281) 20.091 9.088 ( -31.611 17.664 11.073) 37.867 9.088 ( 31.611 17.664 11.073) 37.867 10.141 ( -34.306 6.073 -4.288) 35.102 10.141 ( 34.306 6.073 -4.288) 35.102 11.115 ( -21.996 -5.829 7.653) 24.008 11.115 ( 21.996 -5.829 7.653) 24.008 11.494 ( -4.769 -17.907 6.005) 19.479 11.494 ( 4.769 -17.907 6.005) 19.479 12.035 ( -3.667 -25.801 -2.427) 26.173 12.035 ( 3.667 -25.801 -2.427) 26.173 16.206 ( -10.047 40.388 -14.213) 43.979 16.206 ( 10.047 40.388 -14.213) 43.979 19.225 ( -21.882 -36.733 0.849) 42.765 19.225 ( 21.882 -36.733 0.849) 42.765 23.460 ( -3.844 7.650 0.219) 8.565 23.460 ( 3.844 7.650 0.219) 8.565 23.976 ( -2.313 5.568 6.427) 8.813 23.976 ( 2.313 5.568 6.427) 8.813 32.160 ( -1.420 -0.658 0.318) 1.597 32.160 ( 1.420 -0.658 0.318) 1.597 32.285 ( -1.355 -0.683 -0.210) 1.532 32.285 ( 1.355 -0.683 -0.210) 1.532 35.158 ( -7.103 6.996 1.851) 10.140 35.158 ( 7.103 6.996 1.851) 10.140 35.590 ( -8.488 -1.482 -5.457) 10.199 35.590 ( 8.488 -1.482 -5.457) 10.199 ======================= Grid point 290 (61/84) ======================= q-point: ( 0.40 0.40 0.29) 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( 28.001 28.001 32.431) 51.184 2.615 ( 1.938 1.938 45.622) 45.705 3.022 ( -4.278 -4.278 47.969) 48.349 4.017 ( -1.308 -1.308 0.789) 2.011 5.147 ( 5.670 5.670 0.736) 8.053 5.966 ( 9.713 9.713 -31.796) 34.636 6.536 ( -3.027 -3.027 -21.336) 21.761 7.598 ( -25.930 -25.930 -24.902) 44.326 8.415 ( 31.835 31.835 12.443) 46.709 8.588 ( 31.683 31.683 1.045) 44.818 8.784 ( 23.710 23.710 -6.825) 34.219 9.194 ( 25.451 25.451 -9.648) 37.264 10.050 ( -3.765 -3.765 14.565) 15.508 10.613 ( -1.763 -1.763 16.487) 16.674 10.726 ( 2.312 2.312 -2.188) 3.934 11.120 ( -22.113 -22.113 9.963) 32.821 11.364 ( -10.538 -10.538 3.436) 15.294 11.419 ( -10.415 -10.415 1.581) 14.814 11.619 ( -17.302 -17.302 -4.339) 24.851 11.765 ( -15.117 -15.117 -0.712) 21.390 16.565 ( 28.898 28.898 -8.550) 41.752 16.896 ( 22.474 22.474 -20.302) 37.714 18.457 ( -13.768 -13.768 10.093) 21.931 19.042 ( -31.845 -31.845 -10.059) 46.146 23.494 ( 9.522 9.522 3.958) 14.036 23.587 ( 5.734 5.734 -0.054) 8.109 24.010 ( -1.211 -1.211 7.006) 7.212 24.051 ( -3.263 -3.263 6.095) 7.645 32.138 ( 0.633 0.633 0.575) 1.064 32.176 ( -0.381 -0.381 -0.105) 0.549 32.253 ( -1.123 -1.123 0.349) 1.626 32.292 ( -2.064 -2.064 -0.581) 2.977 35.158 ( 8.669 8.669 1.762) 12.386 35.352 ( 3.831 3.831 -3.506) 6.453 35.439 ( 0.703 0.703 0.351) 1.055 35.668 ( -5.362 -5.362 -5.600) 9.426 ======================= Grid point 291 (62/84) ======================= q-point: (-0.50 0.40 0.29) 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( -42.079 39.073 48.575) 75.212 1.946 ( 42.079 39.073 48.575) 75.212 3.584 ( -33.795 -34.001 39.695) 62.240 3.584 ( 33.795 -34.001 39.695) 62.240 5.590 ( -30.287 33.602 -28.495) 53.463 5.590 ( 30.287 33.602 -28.495) 53.463 6.994 ( -32.592 -30.598 -29.447) 53.531 6.994 ( 32.592 -30.598 -29.447) 53.531 8.733 ( -8.890 51.518 0.993) 52.289 8.733 ( 8.890 51.518 0.993) 52.289 9.442 ( -29.406 15.892 6.607) 34.072 9.442 ( 29.406 15.892 6.607) 34.072 10.189 ( -36.305 -0.471 0.561) 36.312 10.189 ( 36.305 -0.471 0.561) 36.312 10.855 ( -10.945 -23.118 11.642) 28.103 10.855 ( 10.945 -23.118 11.642) 28.103 11.231 ( -5.586 -7.052 3.127) 9.524 11.231 ( 5.586 -7.052 3.127) 9.524 11.561 ( -6.290 -18.580 -2.174) 19.736 11.561 ( 6.290 -18.580 -2.174) 19.736 17.005 ( -12.146 39.581 -10.942) 42.824 17.005 ( 12.146 39.581 -10.942) 42.824 18.507 ( -18.889 -35.962 -3.564) 40.777 18.507 ( 18.889 -35.962 -3.564) 40.777 23.635 ( -2.666 9.704 3.040) 10.513 23.635 ( 2.666 9.704 3.040) 10.513 23.988 ( -1.008 -3.772 5.745) 6.946 23.988 ( 1.008 -3.771 5.745) 6.946 32.159 ( -1.304 0.631 0.382) 1.498 32.159 ( 1.304 0.631 0.382) 1.498 32.254 ( -1.362 -2.142 -0.293) 2.555 32.254 ( 1.362 -2.142 -0.293) 2.555 35.306 ( -5.885 7.527 0.204) 9.557 35.306 ( 5.885 7.527 0.204) 9.557 35.544 ( -6.925 -3.320 -3.495) 8.438 35.544 ( 6.925 -3.320 -3.495) 8.438 ======================= Grid point 307 (63/84) ======================= q-point: (-0.50 -0.50 0.29) 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.664 ( -0.000 -0.000 52.266) 52.266 2.664 ( 0.000 0.000 52.266) 52.266 2.906 ( 0.000 0.000 48.390) 48.390 2.906 ( 0.000 0.000 48.390) 48.390 6.232 ( 0.000 0.000 -33.621) 33.621 6.232 ( 0.000 0.000 -33.621) 33.621 6.392 ( -0.000 -0.000 -33.726) 33.726 6.392 ( -0.000 -0.000 -33.726) 33.726 9.487 ( -0.000 -0.000 2.492) 2.492 9.487 ( 0.000 0.000 2.492) 2.492 9.517 ( -0.000 -0.000 3.063) 3.063 9.517 ( 0.000 0.000 3.063) 3.063 10.317 ( -0.000 -0.000 5.696) 5.696 10.317 ( -0.000 -0.000 5.696) 5.696 10.329 ( -0.000 -0.000 8.083) 8.083 10.329 ( 0.000 0.000 8.083) 8.083 11.169 ( -0.000 -0.000 3.579) 3.579 11.169 ( 0.000 0.000 3.579) 3.579 11.380 ( -0.000 -0.000 -0.272) 0.272 11.380 ( 0.000 0.000 -0.272) 0.272 17.695 ( -0.000 -0.000 -5.636) 5.636 17.695 ( 0.000 0.000 -5.636) 5.636 17.855 ( -0.000 -0.000 -9.130) 9.130 17.855 ( 0.000 0.000 -9.130) 9.130 23.791 ( -0.000 -0.000 6.202) 6.202 23.791 ( 0.000 0.000 6.202) 6.202 23.889 ( -0.000 -0.000 3.148) 3.148 23.889 ( 0.000 0.000 3.148) 3.148 32.173 ( -0.000 -0.000 0.716) 0.716 32.173 ( 0.000 0.000 0.716) 0.716 32.223 ( -0.000 -0.000 -0.647) 0.647 32.223 ( 0.000 0.000 -0.647) 0.647 35.424 ( -0.000 -0.000 -0.862) 0.862 35.424 ( 0.000 0.000 -0.862) 0.862 35.471 ( -0.000 -0.000 -2.229) 2.229 35.471 ( 0.000 0.000 -2.229) 2.229 ======================= Grid point 363 (64/84) ======================= q-point: ( 0.00 0.00 0.43) 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( 0.000 0.000 23.581) 23.581 2.445 ( 0.000 0.000 21.054) 21.054 2.533 ( -0.000 -0.000 -4.206) 4.206 2.761 ( 0.000 0.000 -9.744) 9.744 3.918 ( 0.000 0.000 50.886) 50.886 4.164 ( -0.000 -0.000 38.470) 38.470 4.949 ( 0.000 0.000 -48.408) 48.408 5.009 ( 0.000 0.000 -40.868) 40.868 5.833 ( 0.000 0.000 38.468) 38.468 6.647 ( 0.000 0.000 -39.537) 39.537 9.210 ( 0.000 0.000 18.617) 18.617 9.378 ( -0.000 -0.000 12.264) 12.264 9.816 ( 0.000 0.000 -15.229) 15.229 9.889 ( -0.000 -0.000 -13.283) 13.283 10.831 ( 0.000 0.000 2.769) 2.769 10.884 ( -0.000 -0.000 -2.328) 2.328 12.246 ( 0.000 0.000 15.688) 15.688 12.560 ( 0.000 0.000 -14.884) 14.884 12.908 ( 0.000 0.000 11.138) 11.138 13.106 ( 0.000 0.000 -8.044) 8.044 15.551 ( 0.000 0.000 10.339) 10.339 15.831 ( 0.000 0.000 -17.708) 17.708 20.680 ( -0.000 -0.000 45.445) 45.445 21.539 ( 0.000 0.000 -38.648) 38.648 22.836 ( 0.000 0.000 -0.484) 0.484 22.847 ( 0.000 0.000 -1.346) 1.346 23.352 ( 0.000 0.000 2.858) 2.858 23.393 ( -0.000 -0.000 -1.275) 1.275 32.160 ( -0.000 -0.000 0.587) 0.587 32.173 ( 0.000 0.000 -0.657) 0.657 32.233 ( 0.000 0.000 0.186) 0.186 32.236 ( 0.000 0.000 -0.083) 0.083 34.166 ( -0.000 -0.000 17.388) 17.388 34.533 ( 0.000 0.000 -18.339) 18.339 36.189 ( -0.000 -0.000 8.526) 8.526 36.345 ( 0.000 0.000 -6.882) 6.882 ======================= Grid point 364 (65/84) ======================= q-point: ( 0.10 0.00 0.43) 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( -4.596 0.000 20.823) 21.324 2.361 ( -9.609 0.000 18.933) 21.232 3.045 ( 44.228 0.000 1.744) 44.263 3.089 ( 26.867 0.000 -1.188) 26.893 3.587 ( -9.528 0.000 33.276) 34.613 4.334 ( -5.928 0.000 11.152) 12.630 4.529 ( -3.874 0.000 -13.587) 14.128 5.277 ( 2.384 0.000 -39.207) 39.280 6.003 ( 17.101 0.000 31.527) 35.867 6.742 ( 11.340 0.000 -37.107) 38.801 9.249 ( 0.283 0.000 22.220) 22.222 9.368 ( 1.538 0.000 14.139) 14.222 9.836 ( -4.801 0.000 -12.248) 13.155 9.891 ( 7.295 0.000 -18.254) 19.658 10.794 ( -3.522 0.000 4.556) 5.759 10.899 ( 0.652 0.000 -5.667) 5.704 12.231 ( -0.662 0.000 15.562) 15.576 12.545 ( -1.564 0.000 -14.657) 14.741 12.927 ( 1.374 0.000 10.212) 10.304 13.125 ( 1.466 0.000 -8.638) 8.762 15.369 ( -16.684 0.000 11.808) 20.440 15.681 ( -14.330 0.000 -19.391) 24.111 20.647 ( -2.182 0.000 44.474) 44.527 21.492 ( -3.028 0.000 -38.286) 38.406 22.851 ( 1.253 0.000 0.377) 1.308 22.876 ( 1.741 0.000 -2.005) 2.655 23.439 ( 7.408 0.000 2.750) 7.902 23.467 ( 5.738 0.000 0.111) 5.739 32.148 ( -0.269 0.000 1.774) 1.794 32.180 ( -0.004 0.000 -1.294) 1.294 32.252 ( 1.546 0.000 0.638) 1.673 32.271 ( 2.905 0.000 -1.228) 3.153 34.216 ( 5.001 0.000 16.256) 17.008 34.556 ( 2.552 0.000 -16.861) 17.053 36.112 ( -7.298 0.000 8.528) 11.225 36.277 ( -6.456 0.000 -7.787) 10.115 ======================= Grid point 365 (66/84) ======================= q-point: ( 0.20 0.00 0.43) 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( -26.903 0.000 38.529) 46.992 2.142 ( -16.696 0.000 17.861) 24.450 2.934 ( -21.403 0.000 -1.822) 21.480 3.213 ( -29.557 0.000 -26.379) 39.616 4.363 ( 47.805 0.000 32.870) 58.015 4.566 ( 13.908 0.000 9.047) 16.591 4.775 ( 44.893 0.000 -14.238) 47.097 5.226 ( 5.462 0.000 -34.995) 35.419 6.433 ( 25.342 0.000 30.893) 39.957 7.125 ( 25.767 0.000 -33.755) 42.466 9.111 ( -11.561 0.000 25.176) 27.703 9.448 ( -1.230 0.000 -0.364) 1.283 9.792 ( 5.384 0.000 3.878) 6.635 10.036 ( 3.961 0.000 -10.046) 10.799 10.707 ( -4.414 0.000 3.816) 5.835 10.897 ( 0.081 0.000 -14.288) 14.288 12.245 ( 2.101 0.000 12.471) 12.647 12.506 ( -2.027 0.000 -11.893) 12.064 12.936 ( -0.905 0.000 9.374) 9.418 13.135 ( -1.086 0.000 -9.559) 9.620 14.977 ( -20.826 0.000 12.409) 24.242 15.317 ( -20.844 0.000 -21.134) 29.684 20.644 ( 2.754 0.000 42.694) 42.783 21.469 ( 0.891 0.000 -38.093) 38.104 22.873 ( 1.026 0.000 0.566) 1.172 22.898 ( 0.615 0.000 -1.874) 1.972 23.507 ( -1.659 0.000 7.230) 7.418 23.595 ( 5.018 0.000 -1.744) 5.312 32.150 ( 0.389 0.000 1.729) 1.772 32.178 ( -0.045 0.000 -0.979) 0.980 32.281 ( 1.013 0.000 1.377) 1.709 32.316 ( 1.109 0.000 -1.956) 2.248 34.364 ( 9.853 0.000 13.642) 16.829 34.646 ( 6.732 0.000 -13.790) 15.345 35.925 ( -10.955 0.000 8.553) 13.898 36.111 ( -9.818 0.000 -9.803) 13.875 ======================= Grid point 366 (67/84) ======================= q-point: ( 0.30 0.00 0.43) 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -31.147 0.000 46.567) 56.023 1.699 ( -26.962 0.000 23.771) 35.944 2.450 ( -29.920 0.000 -27.397) 40.568 2.519 ( -34.166 0.000 -38.559) 51.519 4.416 ( -3.950 0.000 14.208) 14.747 4.746 ( -12.197 0.000 -18.313) 22.003 5.824 ( 62.103 0.000 16.798) 64.335 6.160 ( 58.504 0.000 -16.129) 60.687 7.003 ( 32.548 0.000 34.183) 47.200 7.674 ( 27.504 0.000 -29.486) 40.322 8.852 ( -13.450 0.000 24.158) 27.650 9.261 ( -14.302 0.000 -12.219) 18.811 9.895 ( -10.900 0.000 10.280) 14.983 10.039 ( 3.613 0.000 -0.308) 3.626 10.641 ( 1.243 0.000 9.605) 9.685 11.012 ( 12.460 0.000 -23.482) 26.583 12.292 ( 1.840 0.000 8.289) 8.490 12.465 ( -2.705 0.000 -7.998) 8.444 12.894 ( -2.661 0.000 8.967) 9.354 13.074 ( -4.803 0.000 -8.441) 9.712 14.599 ( -16.377 0.000 9.320) 18.843 14.904 ( -20.028 0.000 -20.018) 28.316 20.767 ( 9.474 0.000 37.914) 39.080 21.500 ( 1.062 0.000 -33.280) 33.297 22.899 ( 1.395 0.000 -0.167) 1.404 22.913 ( 1.723 0.000 -1.620) 2.365 23.390 ( -9.059 0.000 13.297) 16.089 23.606 ( -4.015 0.000 -7.880) 8.843 32.160 ( 0.641 0.000 1.236) 1.392 32.180 ( 0.281 0.000 -0.691) 0.746 32.284 ( -0.732 0.000 1.120) 1.338 32.309 ( -1.668 0.000 -1.145) 2.024 34.596 ( 13.111 0.000 11.068) 17.158 34.821 ( 10.620 0.000 -10.751) 15.112 35.699 ( -11.393 0.000 8.313) 14.103 35.901 ( -11.199 0.000 -11.175) 15.820 ======================= Grid point 367 (68/84) ======================= q-point: ( 0.40 0.00 0.43) 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( -16.788 0.000 33.733) 37.680 1.168 ( -23.002 0.000 18.091) 29.264 1.780 ( -30.962 0.000 -48.705) 57.714 1.921 ( -28.914 0.000 -43.610) 52.325 4.372 ( -0.243 0.000 5.680) 5.685 4.527 ( -8.695 0.000 -10.111) 13.335 6.881 ( 42.188 0.000 16.954) 45.467 7.085 ( 32.533 0.000 -1.039) 32.550 7.733 ( 37.633 0.000 22.782) 43.991 8.106 ( 11.518 0.000 0.702) 11.539 8.672 ( 0.128 0.000 0.580) 0.594 8.960 ( -13.692 0.000 -12.437) 18.497 9.548 ( -19.605 0.000 9.631) 21.843 9.825 ( -23.105 0.000 -13.623) 26.822 10.927 ( 22.836 0.000 17.353) 28.682 11.285 ( 11.379 0.000 -16.581) 20.110 12.292 ( -2.032 0.000 4.613) 5.040 12.370 ( -6.804 0.000 -2.903) 7.397 12.863 ( 0.056 0.000 5.417) 5.417 12.970 ( -4.901 0.000 -5.004) 7.004 14.360 ( -7.035 0.000 2.063) 7.331 14.550 ( -15.007 0.000 -15.669) 21.697 21.002 ( 13.615 0.000 26.530) 29.819 21.463 ( -5.686 0.000 -17.146) 18.065 22.927 ( 1.972 0.000 1.457) 2.452 22.984 ( 4.367 0.000 -3.933) 5.877 23.211 ( -6.795 0.000 11.006) 12.934 23.455 ( -10.288 0.000 -11.631) 15.528 32.176 ( 1.003 0.000 0.832) 1.303 32.190 ( 0.648 0.000 -0.427) 0.776 32.257 ( -1.666 0.000 0.264) 1.687 32.264 ( -2.380 0.000 -0.379) 2.410 34.864 ( 13.365 0.000 9.350) 16.312 35.040 ( 10.194 0.000 -6.876) 12.296 35.488 ( -9.032 0.000 5.799) 10.733 35.672 ( -11.833 0.000 -10.929) 16.108 ======================= Grid point 368 (69/84) ======================= q-point: (-0.50 0.00 0.43) 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( -13.850 0.000 3.669) 14.328 0.820 ( 13.850 0.000 3.669) 14.328 1.491 ( -7.774 0.000 -49.999) 50.599 1.491 ( 7.774 0.000 -49.999) 50.599 4.407 ( -3.734 0.000 -1.661) 4.087 4.407 ( 3.734 0.000 -1.661) 4.087 7.390 ( -5.927 0.000 8.296) 10.196 7.390 ( 5.927 0.000 8.296) 10.196 8.149 ( -3.586 0.000 31.433) 31.637 8.149 ( 3.586 0.000 31.433) 31.637 8.829 ( -7.248 0.000 -26.701) 27.667 8.829 ( 7.248 0.000 -26.701) 27.667 9.369 ( -12.554 0.000 -0.335) 12.558 9.369 ( 12.554 0.000 -0.335) 12.558 11.311 ( -11.120 0.000 2.369) 11.369 11.311 ( 11.120 0.000 2.369) 11.369 12.264 ( -1.804 0.000 0.522) 1.878 12.264 ( 1.804 0.000 0.522) 1.878 12.894 ( -2.794 0.000 -0.116) 2.796 12.894 ( 2.794 0.000 -0.116) 2.796 14.341 ( -5.239 0.000 -7.720) 9.330 14.341 ( 5.239 0.000 -7.720) 9.330 21.273 ( -12.713 0.000 6.797) 14.416 21.273 ( 12.713 0.000 6.797) 14.416 22.985 ( -3.529 0.000 3.728) 5.133 22.985 ( 3.529 0.000 3.728) 5.133 23.246 ( -9.250 0.000 -7.924) 12.180 23.246 ( 9.250 0.000 -7.924) 12.180 32.197 ( -0.572 0.000 0.341) 0.666 32.197 ( 0.572 0.000 0.341) 0.666 32.234 ( -0.180 0.000 -0.309) 0.358 32.234 ( 0.180 0.000 -0.309) 0.358 35.090 ( -7.467 0.000 6.086) 9.633 35.090 ( 7.467 0.000 6.086) 9.633 35.457 ( -7.815 0.000 -7.350) 10.728 35.457 ( 7.815 0.000 -7.350) 10.728 ======================= Grid point 375 (70/84) ======================= q-point: ( 0.10 0.10 0.43) 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.463 ( -12.202 -12.202 41.247) 44.712 2.730 ( 15.345 15.345 29.515) 36.634 3.018 ( 16.754 16.754 -2.606) 23.836 3.198 ( 16.225 16.225 -11.189) 25.528 3.563 ( 7.351 7.351 6.490) 12.256 4.117 ( -15.373 -15.373 -31.435) 38.220 4.667 ( 15.580 15.580 35.467) 41.754 5.458 ( 9.135 9.135 -29.813) 32.492 6.116 ( 12.172 12.172 20.695) 26.919 6.763 ( 4.826 4.826 -35.132) 35.789 9.195 ( -7.162 -7.162 24.499) 26.510 9.407 ( 4.379 4.379 11.384) 12.960 9.782 ( -4.057 -4.057 -8.853) 10.550 9.967 ( 7.098 7.098 -18.258) 20.836 10.789 ( -1.131 -1.131 4.804) 5.063 10.910 ( 1.046 1.046 -6.915) 7.072 12.233 ( 0.536 0.536 15.239) 15.257 12.550 ( -0.138 -0.138 -14.814) 14.815 12.924 ( -0.438 -0.438 9.790) 9.809 13.123 ( -0.466 -0.466 -8.947) 8.971 15.241 ( -11.808 -11.808 12.148) 20.650 15.569 ( -10.666 -10.666 -20.543) 25.485 20.559 ( -7.001 -7.001 43.161) 44.282 21.374 ( -9.211 -9.211 -36.670) 38.915 22.875 ( 2.085 2.085 1.784) 3.446 22.927 ( 3.318 3.318 -3.338) 5.759 23.535 ( 8.441 8.441 3.110) 12.336 23.563 ( 7.667 7.667 0.541) 10.856 32.143 ( -0.009 -0.009 2.453) 2.453 32.197 ( 0.698 0.698 -2.703) 2.878 32.261 ( 1.208 1.208 1.620) 2.355 32.294 ( 1.835 1.835 -1.565) 3.031 34.262 ( 4.698 4.698 15.211) 16.599 34.579 ( 2.543 2.543 -15.656) 16.064 36.044 ( -6.486 -6.486 8.457) 12.477 36.215 ( -5.898 -5.898 -8.450) 11.873 ======================= Grid point 376 (71/84) ======================= q-point: ( 0.20 0.10 0.43) 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( -33.945 -16.851 45.660) 59.339 2.552 ( -20.770 27.520 14.525) 37.413 2.944 ( -27.043 -0.218 -16.626) 31.746 3.281 ( -16.127 27.081 -27.564) 41.872 4.238 ( 50.948 -12.292 24.649) 57.917 4.633 ( 50.881 -2.853 -11.306) 52.201 4.930 ( 14.773 28.153 23.580) 39.584 5.576 ( 6.672 26.819 -29.486) 40.413 6.451 ( 22.527 3.393 22.678) 32.145 7.059 ( 25.051 -5.694 -31.807) 40.886 8.972 ( -14.472 -12.897 26.568) 32.889 9.398 ( -8.735 -7.085 -11.614) 16.168 9.822 ( 10.722 5.002 12.861) 17.475 10.108 ( 4.459 6.565 -9.179) 12.134 10.743 ( -2.813 2.806 4.555) 6.045 10.933 ( 1.573 3.452 -13.480) 14.004 12.257 ( 1.678 0.848 12.492) 12.633 12.525 ( -2.319 1.000 -12.394) 12.648 12.896 ( -2.709 -3.906 9.059) 10.230 13.090 ( -3.279 -4.672 -9.218) 10.843 14.963 ( -14.726 -1.034 11.361) 18.627 15.299 ( -15.473 -1.543 -21.695) 26.692 20.450 ( -2.631 -16.556 40.491) 43.824 21.216 ( -5.992 -20.906 -34.460) 40.749 22.920 ( 2.586 3.516 2.275) 4.922 22.979 ( 2.103 5.705 -3.567) 7.049 23.664 ( 1.507 13.036 4.699) 13.938 23.703 ( 5.886 9.899 0.605) 11.532 32.149 ( 0.520 0.152 2.440) 2.500 32.201 ( -0.052 1.378 -2.419) 2.784 32.287 ( 0.986 0.824 1.657) 2.097 32.323 ( 0.612 0.597 -1.604) 1.818 34.402 ( 9.386 3.927 12.769) 16.327 34.667 ( 6.536 2.313 -13.032) 14.761 35.877 ( -9.790 -4.539 8.355) 13.648 36.063 ( -8.990 -4.550 -9.951) 14.161 ======================= Grid point 377 (72/84) ======================= q-point: ( 0.30 0.10 0.43) 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( -26.113 -10.449 32.031) 42.627 2.009 ( -32.522 3.114 -1.398) 32.701 2.289 ( -35.057 10.048 -7.641) 37.261 2.887 ( -23.932 37.650 -32.268) 55.059 4.744 ( 5.025 26.933 20.229) 34.056 5.052 ( 0.723 24.085 -7.280) 25.172 5.759 ( 49.183 -1.887 10.383) 50.302 6.106 ( 46.375 -2.025 -20.078) 50.575 7.065 ( 38.876 5.372 29.145) 48.884 7.651 ( 32.034 -2.144 -26.050) 41.345 8.658 ( -16.094 -17.055 25.120) 34.364 9.132 ( -16.267 -13.028 -18.963) 28.177 9.988 ( -7.328 8.910 13.308) 17.612 10.128 ( 4.708 7.774 1.035) 9.147 10.703 ( 0.973 5.357 8.814) 10.360 11.040 ( 10.331 2.657 -20.798) 23.374 12.278 ( -0.256 -1.894 8.487) 8.700 12.457 ( -4.992 -1.576 -8.235) 9.758 12.821 ( -4.243 -7.367 8.595) 12.090 12.990 ( -6.363 -8.547 -7.807) 13.210 14.704 ( -10.578 10.684 7.717) 16.899 14.994 ( -14.654 9.205 -20.101) 26.524 20.475 ( 4.988 -25.413 34.585) 43.207 21.125 ( -4.093 -30.999 -28.595) 42.372 22.991 ( 4.975 5.265 0.842) 7.293 23.023 ( 2.589 8.197 -2.199) 8.873 23.601 ( -7.088 18.265 8.689) 21.432 23.732 ( -3.233 11.921 -4.124) 13.022 32.162 ( 0.792 0.189 1.867) 2.037 32.200 ( 0.091 1.191 -1.713) 2.088 32.289 ( -0.847 0.773 1.067) 1.566 32.311 ( -1.737 0.266 -0.823) 1.940 34.624 ( 12.607 2.964 10.316) 16.557 34.836 ( 10.217 1.686 -10.244) 14.566 35.675 ( -10.232 -2.270 7.981) 13.173 35.871 ( -10.302 -2.880 -10.899) 15.272 ======================= Grid point 378 (73/84) ======================= q-point: ( 0.40 0.10 0.43) 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( -1.203 14.397 0.117) 14.447 1.378 ( -27.127 -1.195 0.110) 27.153 1.659 ( -23.426 15.342 -12.324) 30.594 2.331 ( -31.300 36.058 -41.360) 63.171 4.799 ( 2.486 40.012 8.208) 40.921 4.963 ( -5.891 38.716 -7.894) 39.949 6.602 ( 34.607 -20.882 20.392) 45.272 6.924 ( 29.463 -17.239 -9.203) 35.355 7.892 ( 39.509 13.249 23.263) 47.725 8.152 ( 8.583 -1.741 15.365) 17.686 8.476 ( 6.028 -11.437 -9.611) 16.110 8.813 ( -12.498 -14.418 -23.686) 30.416 9.679 ( -18.138 12.646 16.259) 27.445 9.991 ( -19.157 12.938 -13.455) 26.747 10.943 ( 20.537 1.527 16.611) 26.458 11.277 ( 10.461 -0.709 -15.107) 18.389 12.225 ( -4.947 -6.690 5.111) 9.765 12.308 ( -9.453 -6.287 -2.703) 11.670 12.766 ( -0.718 -9.777 4.948) 10.981 12.867 ( -5.419 -10.471 -4.717) 12.699 14.563 ( -3.323 19.898 0.992) 20.198 14.736 ( -10.936 18.400 -15.189) 26.247 20.630 ( 9.954 -32.095 22.560) 40.474 21.019 ( -7.126 -36.435 -14.863) 39.990 23.092 ( 4.626 10.659 0.771) 11.645 23.125 ( 8.281 5.503 -2.239) 10.191 23.427 ( -9.138 22.528 8.057) 25.611 23.592 ( -10.075 14.003 -7.438) 18.786 32.182 ( 1.248 0.186 1.250) 1.776 32.207 ( 0.641 0.809 -1.089) 1.500 32.258 ( -2.142 0.563 0.423) 2.255 32.267 ( -2.246 0.579 -0.346) 2.345 34.882 ( 12.785 1.918 8.615) 15.536 35.046 ( 9.617 0.712 -6.506) 11.633 35.486 ( -8.037 -0.170 5.406) 9.687 35.659 ( -10.979 -1.184 -10.411) 15.177 ======================= Grid point 379 (74/84) ======================= q-point: (-0.50 0.10 0.43) 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( -7.215 14.559 8.275) 18.234 1.022 ( 7.215 14.559 8.275) 18.234 1.725 ( -25.866 26.923 -43.588) 57.391 1.725 ( 25.866 26.923 -43.588) 57.391 4.863 ( -4.104 42.277 -0.573) 42.479 4.863 ( 4.104 42.277 -0.573) 42.479 7.095 ( -12.329 -24.384 12.621) 30.097 7.095 ( 12.329 -24.384 12.621) 30.097 8.233 ( -7.916 -3.033 18.051) 19.942 8.233 ( 7.916 -3.033 18.051) 19.942 8.701 ( -14.666 -1.017 -16.558) 22.142 8.701 ( 14.666 -1.017 -16.558) 22.142 9.573 ( -14.973 15.108 -2.788) 21.453 9.573 ( 14.973 15.108 -2.788) 21.453 11.302 ( -10.684 -0.953 2.406) 10.993 11.302 ( 10.684 -0.953 2.406) 10.993 12.167 ( -2.341 -9.352 0.864) 9.680 12.167 ( 2.341 -9.352 0.864) 9.680 12.787 ( -2.593 -10.732 -0.279) 11.044 12.787 ( 2.593 -10.732 -0.279) 11.044 14.578 ( -4.654 22.850 -7.531) 24.505 14.578 ( 4.654 22.850 -7.531) 24.505 20.840 ( -10.516 -36.276 4.523) 38.040 20.840 ( 10.516 -36.276 4.523) 38.040 23.201 ( -5.034 8.048 3.868) 10.250 23.201 ( 5.034 8.048 3.868) 10.250 23.381 ( -8.938 19.977 -5.584) 22.586 23.381 ( 8.938 19.977 -5.584) 22.586 32.212 ( -1.725 -0.027 0.819) 1.910 32.212 ( 1.725 -0.027 0.819) 1.910 32.230 ( -1.255 1.048 -0.788) 1.814 32.230 ( 1.255 1.048 -0.788) 1.814 35.095 ( -6.746 0.610 5.293) 8.597 35.095 ( 6.746 0.610 5.293) 8.597 35.460 ( -7.129 0.366 -6.672) 9.771 35.460 ( 7.129 0.366 -6.672) 9.771 ======================= Grid point 387 (75/84) ======================= q-point: ( 0.20 0.20 0.43) 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( -25.641 -25.641 29.976) 47.048 2.208 ( -36.174 -36.174 -39.730) 64.773 3.502 ( 10.110 10.110 24.561) 28.420 3.805 ( 11.939 11.939 17.233) 24.126 4.290 ( 22.036 22.036 -4.137) 31.437 4.634 ( 22.699 22.699 -17.651) 36.635 5.651 ( 34.327 34.327 23.269) 53.834 6.081 ( 24.896 24.896 -7.437) 35.985 6.655 ( 15.585 15.585 -1.197) 22.073 7.015 ( 8.884 8.884 -25.130) 28.096 8.646 ( -18.977 -18.977 27.933) 38.736 9.155 ( -16.371 -16.371 -20.923) 31.206 10.006 ( 12.290 12.290 16.795) 24.169 10.247 ( 5.770 5.770 -4.525) 9.331 10.784 ( 1.149 1.149 7.129) 7.312 11.016 ( 4.431 4.431 -14.447) 15.748 12.259 ( -1.196 -1.196 11.116) 11.244 12.503 ( -3.939 -3.939 -11.120) 12.438 12.784 ( -7.331 -7.331 7.570) 12.837 12.947 ( -9.607 -9.607 -7.581) 15.558 14.959 ( 1.149 1.149 8.449) 8.604 15.272 ( -0.854 -0.854 -22.038) 22.071 20.119 ( -14.540 -14.540 36.603) 41.983 20.799 ( -19.214 -19.214 -30.166) 40.599 22.990 ( 3.910 3.910 3.738) 6.675 23.079 ( 4.370 4.370 -4.982) 7.938 23.893 ( 7.747 7.747 4.150) 11.716 23.908 ( 8.774 8.774 2.262) 12.614 32.155 ( 0.347 0.347 2.632) 2.678 32.213 ( -0.100 -0.100 -2.717) 2.721 32.310 ( 1.055 1.055 1.011) 1.802 32.332 ( 0.056 0.056 -0.804) 0.808 34.522 ( 8.131 8.131 10.668) 15.685 34.746 ( 5.797 5.797 -11.182) 13.865 35.760 ( -6.854 -6.854 7.940) 12.530 35.946 ( -6.910 -6.910 -10.277) 14.181 ======================= Grid point 388 (76/84) ======================= q-point: ( 0.30 0.20 0.43) 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 3.466 4.512 -10.642) 12.068 1.487 ( -32.569 -32.402 -35.890) 58.298 3.059 ( -34.049 44.134 37.405) 67.129 3.766 ( -22.370 41.150 -27.549) 54.339 4.850 ( 37.110 -11.060 34.242) 51.691 5.486 ( 40.558 -5.782 -25.792) 48.411 6.028 ( 11.906 46.882 20.270) 52.445 6.477 ( 4.926 41.639 -23.821) 48.224 7.176 ( 46.442 5.049 20.634) 51.069 7.592 ( 39.581 -3.990 -17.051) 43.281 8.266 ( -17.035 -20.554 23.410) 35.506 8.788 ( -19.688 -20.363 -24.397) 37.383 10.193 ( -1.457 10.412 12.073) 16.009 10.309 ( 4.406 9.708 1.970) 10.842 10.811 ( 2.671 4.697 10.362) 11.686 11.112 ( 6.036 4.421 -15.966) 17.633 12.193 ( -5.792 -7.138 8.241) 12.346 12.368 ( -9.526 -7.895 -8.022) 14.746 12.611 ( -9.335 -13.312 6.718) 17.592 12.737 ( -10.489 -16.593 -5.568) 20.405 15.012 ( 3.897 19.476 4.491) 20.363 15.263 ( -0.384 17.290 -19.706) 26.219 19.923 ( -4.911 -27.464 29.920) 40.909 20.476 ( -13.629 -31.910 -24.368) 42.400 23.088 ( 6.061 5.208 3.336) 8.659 23.165 ( 4.610 6.286 -4.338) 8.920 23.948 ( -1.722 13.963 5.461) 15.092 23.995 ( -0.242 12.091 0.596) 12.109 32.162 ( 0.411 -0.246 2.077) 2.132 32.206 ( -0.463 -0.590 -1.899) 2.042 32.315 ( -0.706 1.362 0.081) 1.536 32.318 ( -1.348 0.345 0.003) 1.392 34.717 ( 11.186 6.443 8.446) 15.426 34.895 ( 9.017 4.465 -8.907) 13.438 35.618 ( -7.225 -3.262 7.214) 10.718 35.798 ( -7.971 -4.216 -10.174) 13.594 ======================= Grid point 389 (77/84) ======================= q-point: ( 0.40 0.20 0.43) 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -0.433 -3.102 -0.635) 3.196 1.545 ( 25.828 30.050 -31.941) 50.895 2.352 ( -32.572 41.489 31.815) 61.600 3.174 ( -35.057 44.443 -40.440) 69.567 5.504 ( 26.698 6.628 31.049) 41.482 5.900 ( 4.832 52.409 -4.273) 52.805 6.372 ( 16.639 0.172 0.588) 16.650 6.550 ( 6.737 -0.292 -10.495) 12.474 7.831 ( -4.641 -22.289 20.476) 30.620 8.142 ( 22.746 1.819 10.513) 25.123 8.328 ( 10.957 -6.531 -11.005) 16.847 8.629 ( 26.371 2.582 -22.435) 34.719 9.964 ( -16.328 14.676 16.516) 27.473 10.251 ( -14.660 12.406 -11.544) 22.407 10.982 ( 15.020 2.234 15.018) 21.357 11.261 ( 7.508 -0.686 -11.589) 13.825 12.032 ( -9.631 -12.667 5.821) 16.944 12.121 ( -14.187 -12.420 -2.076) 18.969 12.479 ( -3.181 -18.907 3.580) 19.504 12.562 ( -6.822 -19.889 -4.101) 21.422 15.101 ( 4.746 32.741 -0.509) 33.087 15.244 ( -1.819 31.474 -14.097) 34.535 19.916 ( 3.680 -37.258 17.937) 41.514 20.238 ( -10.804 -39.937 -13.546) 43.534 23.224 ( 6.991 5.893 1.556) 9.275 23.261 ( 4.752 7.284 -2.223) 8.977 23.865 ( -5.082 18.259 4.651) 19.515 23.919 ( -6.219 15.567 -0.617) 16.775 32.173 ( 0.700 -0.948 1.275) 1.736 32.198 ( -0.318 -1.220 -1.038) 1.633 32.284 ( -1.597 1.182 0.381) 2.023 32.292 ( -1.494 1.571 -0.442) 2.213 34.945 ( 11.188 4.571 6.771) 13.853 35.078 ( 8.182 2.786 -5.629) 10.315 35.485 ( -5.569 0.047 4.594) 7.219 35.632 ( -8.744 -1.421 -9.046) 12.662 ======================= Grid point 390 (78/84) ======================= q-point: (-0.50 0.20 0.43) 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( -29.478 28.895 31.808) 52.112 1.436 ( 29.478 28.895 31.808) 52.112 2.448 ( -35.199 41.707 -42.768) 69.336 2.448 ( 35.199 41.707 -42.768) 69.336 5.858 ( -9.041 47.389 11.905) 49.691 5.858 ( 9.041 47.389 11.905) 49.691 6.586 ( -6.605 -19.864 4.544) 21.421 6.586 ( 6.605 -19.864 4.544) 21.421 7.905 ( -14.250 -22.742 -6.523) 27.620 7.905 ( 14.250 -22.742 -6.523) 27.620 8.917 ( -15.811 16.554 3.209) 23.115 8.917 ( 15.811 16.554 3.209) 23.115 9.863 ( -15.332 13.335 -2.575) 20.482 9.863 ( 15.332 13.335 -2.575) 20.482 11.273 ( -9.539 -1.961 2.460) 10.045 11.273 ( 9.539 -1.961 2.460) 10.045 11.922 ( -2.760 -14.567 2.070) 14.970 11.922 ( 2.760 -14.567 2.070) 14.970 12.473 ( -2.160 -20.858 -0.860) 20.987 12.473 ( 2.160 -20.858 -0.860) 20.987 15.188 ( -3.775 37.084 -6.980) 37.923 15.188 ( 3.775 37.084 -6.980) 37.923 20.044 ( -8.611 -41.685 1.934) 42.609 20.044 ( 8.611 -41.685 1.934) 42.609 23.315 ( -0.805 6.240 -0.111) 6.292 23.315 ( 0.805 6.240 -0.111) 6.292 23.819 ( -1.888 18.996 1.284) 19.132 23.819 ( 1.888 18.996 1.284) 19.132 32.188 ( -0.747 -1.502 0.227) 1.693 32.188 ( 0.747 -1.502 0.227) 1.693 32.270 ( -0.388 1.741 -0.188) 1.793 32.270 ( 0.388 1.741 -0.188) 1.793 35.124 ( -5.135 2.555 3.496) 6.717 35.124 ( 5.135 2.555 3.496) 6.717 35.473 ( -5.623 0.930 -5.070) 7.628 35.473 ( 5.623 0.930 -5.070) 7.628 ======================= Grid point 399 (79/84) ======================= q-point: ( 0.30 0.30 0.43) 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( -5.840 -5.840 -2.630) 8.668 1.550 ( 32.018 32.018 -42.941) 62.404 3.727 ( 2.817 2.817 35.533) 35.756 4.017 ( 0.193 0.193 21.642) 21.644 4.976 ( 11.852 11.852 -11.847) 20.525 5.267 ( 7.806 7.806 -24.720) 27.073 7.020 ( 18.603 18.603 23.335) 35.166 7.304 ( 31.622 31.622 7.517) 45.348 7.435 ( 25.157 25.157 -4.405) 35.849 7.506 ( 13.897 13.897 -12.406) 23.241 7.968 ( -2.882 -2.882 8.959) 9.843 8.387 ( -16.536 -16.536 -24.602) 33.943 10.344 ( 2.665 2.665 10.050) 10.733 10.477 ( 6.163 6.163 -1.391) 8.827 10.889 ( 4.146 4.146 15.882) 16.929 11.200 ( 4.009 4.009 -12.652) 13.864 11.993 ( -12.889 -12.889 6.729) 19.431 12.143 ( -14.358 -14.358 -7.281) 21.572 12.312 ( -16.723 -16.723 4.620) 24.097 12.384 ( -16.622 -16.622 -2.792) 23.672 15.427 ( 21.062 21.062 1.996) 29.853 15.630 ( 18.199 18.199 -17.754) 31.266 19.456 ( -18.599 -18.599 24.189) 35.735 19.906 ( -25.232 -25.232 -20.192) 41.000 23.213 ( 7.460 7.460 3.646) 11.162 23.289 ( 6.433 6.433 -3.973) 9.928 24.114 ( 3.048 3.048 5.064) 6.650 24.149 ( 2.932 2.932 1.523) 4.417 32.155 ( -0.286 -0.286 1.657) 1.705 32.189 ( -0.858 -0.858 -1.435) 1.879 32.313 ( -0.873 -0.873 0.713) 1.426 32.327 ( -0.384 -0.384 -0.710) 0.894 34.875 ( 9.166 9.166 6.362) 14.440 35.013 ( 7.225 7.225 -7.153) 12.473 35.551 ( -3.477 -3.477 6.170) 7.890 35.708 ( -4.883 -4.883 -9.008) 11.351 ======================= Grid point 400 (80/84) ======================= q-point: ( 0.40 0.30 0.43) 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 33.815 30.132 39.159) 59.874 2.254 ( 32.742 38.953 -38.314) 63.697 3.185 ( -32.335 41.185 35.032) 62.999 3.933 ( -24.924 26.060 -26.806) 44.932 5.212 ( 27.055 -16.639 29.059) 43.050 5.826 ( 26.106 -29.344 -20.606) 44.353 6.791 ( -17.685 2.254 21.032) 27.571 7.281 ( -15.727 28.628 -18.172) 37.378 7.689 ( 2.488 28.686 3.684) 29.029 7.878 ( -7.769 2.679 -13.511) 15.814 8.493 ( 49.380 12.051 11.867) 52.196 8.754 ( 45.518 7.406 -13.491) 48.050 10.225 ( -14.183 10.766 13.958) 22.625 10.463 ( -11.009 8.546 -9.519) 16.877 11.021 ( 9.422 1.330 14.971) 17.739 11.259 ( 1.842 0.756 -7.889) 8.136 11.727 ( -11.612 -18.435 5.639) 22.505 11.827 ( -16.022 -17.245 -2.177) 23.640 12.034 ( -8.830 -24.965 2.827) 26.631 12.116 ( -10.705 -23.311 -3.708) 25.918 15.796 ( 15.133 35.921 -0.711) 38.985 15.922 ( 9.930 35.386 -12.982) 38.978 19.211 ( -5.766 -33.043 14.108) 36.389 19.482 ( -17.437 -35.912 -12.591) 41.860 23.371 ( 7.724 8.892 2.486) 12.038 23.414 ( 5.669 8.417 -1.947) 10.333 24.103 ( -2.794 5.764 4.151) 7.633 24.130 ( -3.652 5.109 1.506) 6.459 32.155 ( 0.278 -0.640 1.056) 1.266 32.176 ( -0.516 -0.836 -0.876) 1.316 32.290 ( -1.153 -0.661 0.732) 1.517 32.305 ( -1.497 -0.459 -0.762) 1.742 35.061 ( 9.057 6.973 4.673) 12.348 35.160 ( 6.520 5.372 -4.697) 9.666 35.485 ( -2.778 -0.208 3.856) 4.757 35.602 ( -5.861 -1.731 -7.220) 9.459 ======================= Grid point 401 (81/84) ======================= q-point: (-0.50 0.30 0.43) 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( -38.461 39.075 43.265) 69.842 2.127 ( 38.461 39.075 43.265) 69.842 3.279 ( -34.854 40.173 -39.613) 66.316 3.279 ( 34.854 40.173 -39.613) 66.316 5.804 ( -25.963 -28.386 30.338) 48.993 5.804 ( 25.963 -28.386 30.338) 48.993 6.855 ( -22.396 -0.088 -24.164) 32.946 6.855 ( 22.396 -0.088 -24.164) 32.946 7.752 ( -4.377 29.799 -1.736) 30.169 7.752 ( 4.377 29.799 -1.736) 30.169 9.250 ( -14.261 16.263 4.240) 22.041 9.250 ( 14.261 16.263 4.240) 22.041 10.084 ( -15.402 8.623 -1.353) 17.704 10.084 ( 15.402 8.623 -1.353) 17.704 11.219 ( -7.939 -3.950 2.494) 9.211 11.219 ( 7.939 -3.950 2.494) 9.211 11.618 ( -2.811 -15.417 4.783) 16.384 11.618 ( 2.811 -15.417 4.783) 16.384 11.976 ( -2.665 -28.322 -2.653) 28.570 11.976 ( 2.665 -28.322 -2.653) 28.570 15.989 ( -3.510 42.535 -6.015) 43.102 15.989 ( 3.510 42.535 -6.015) 43.102 19.230 ( -7.385 -40.161 -0.044) 40.834 19.230 ( 7.385 -40.161 -0.044) 40.834 23.471 ( -1.135 9.544 0.503) 9.625 23.471 ( 1.135 9.544 0.503) 9.625 24.069 ( -0.816 6.079 2.474) 6.614 24.069 ( 0.816 6.079 2.474) 6.614 32.165 ( -0.616 -0.688 0.155) 0.936 32.165 ( 0.616 -0.688 0.155) 0.936 32.282 ( -0.522 -0.652 -0.107) 0.841 32.282 ( 0.522 -0.652 -0.107) 0.841 35.200 ( -3.610 5.087 1.733) 6.474 35.200 ( 3.610 5.087 1.733) 6.474 35.491 ( -4.180 0.574 -3.336) 5.379 35.491 ( 4.180 0.574 -3.336) 5.379 ======================= Grid point 411 (82/84) ======================= q-point: ( 0.40 0.40 0.43) 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( 42.203 42.203 49.765) 77.709 2.998 ( 31.727 31.727 -26.551) 52.136 3.824 ( 1.013 1.013 27.328) 27.365 3.970 ( 1.211 1.211 17.155) 17.240 5.241 ( -1.051 -1.051 -8.210) 8.343 5.368 ( 3.687 3.687 -21.438) 22.062 6.380 ( -25.008 -25.008 16.424) 38.994 6.979 ( -31.527 -31.527 -33.996) 56.069 8.565 ( 29.358 29.358 3.226) 41.643 8.613 ( 28.193 28.193 -1.104) 39.887 8.799 ( 32.428 32.428 8.522) 46.645 8.999 ( 29.372 29.372 -9.845) 42.688 10.323 ( -3.928 -3.928 12.128) 13.340 10.540 ( -4.059 -4.059 -9.185) 10.832 11.025 ( -0.913 -0.913 16.400) 16.451 11.265 ( -15.566 -15.566 -3.773) 22.335 11.319 ( -5.956 -5.956 3.525) 9.131 11.454 ( -14.902 -14.902 -5.898) 21.884 11.604 ( -16.714 -16.714 6.179) 24.431 11.719 ( -15.740 -15.740 -4.074) 22.629 16.462 ( 29.358 29.358 -0.495) 41.521 16.569 ( 27.178 27.178 -11.102) 40.006 18.643 ( -22.608 -22.608 8.873) 33.181 18.834 ( -28.583 -28.583 -10.043) 41.652 23.561 ( 9.507 9.507 2.377) 13.653 23.587 ( 8.341 8.341 -0.338) 11.801 24.121 ( -2.685 -2.685 3.403) 5.099 24.136 ( -3.327 -3.327 1.929) 5.085 32.152 ( 0.420 0.420 0.821) 1.013 32.168 ( 0.029 0.029 -0.665) 0.666 32.264 ( -1.592 -1.592 0.696) 2.356 32.279 ( -1.875 -1.875 -0.744) 2.754 35.206 ( 7.095 7.095 2.948) 10.458 35.275 ( 5.464 5.464 -3.768) 8.597 35.471 ( -1.010 -1.010 2.884) 3.218 35.555 ( -3.147 -3.147 -5.173) 6.824 ======================= Grid point 412 (83/84) ======================= q-point: (-0.50 0.40 0.43) 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.926 ( -36.471 40.240 42.529) 68.979 2.926 ( 36.471 40.240 42.529) 68.979 3.894 ( -20.505 14.413 -14.086) 28.751 3.894 ( 20.505 14.413 -14.086) 28.751 5.359 ( -18.006 -8.249 10.042) 22.206 5.359 ( 18.006 -8.249 10.042) 22.206 6.363 ( -25.610 -34.876 -27.572) 51.307 6.363 ( 25.610 -34.876 -27.572) 51.307 8.753 ( -2.258 53.779 0.642) 53.830 8.753 ( 2.258 53.779 0.642) 53.830 9.532 ( -12.203 10.900 2.193) 16.509 9.532 ( 12.203 10.900 2.193) 16.509 10.206 ( -14.868 4.607 0.662) 15.580 10.206 ( 14.868 4.607 0.662) 15.580 11.015 ( -3.032 -23.225 3.651) 23.705 11.015 ( 3.032 -23.225 3.651) 23.705 11.339 ( -6.993 -10.042 7.295) 14.247 11.339 ( 6.993 -10.042 7.295) 14.247 11.482 ( -8.194 -15.552 -5.717) 18.485 11.482 ( 8.194 -15.552 -5.717) 18.485 16.837 ( -4.026 42.454 -4.646) 42.897 16.837 ( 4.026 42.454 -4.646) 42.897 18.447 ( -6.248 -39.215 -1.775) 39.749 18.447 ( 6.248 -39.215 -1.775) 39.749 23.684 ( -0.721 11.621 1.434) 11.731 23.684 ( 0.721 11.621 1.434) 11.731 24.075 ( -0.418 -4.794 2.377) 5.367 24.075 ( 0.418 -4.794 2.377) 5.367 32.166 ( -0.582 0.828 0.196) 1.031 32.166 ( 0.582 0.828 0.196) 1.031 32.249 ( -0.578 -2.364 -0.157) 2.439 32.249 ( 0.578 -2.364 -0.157) 2.439 35.315 ( -2.734 6.034 0.450) 6.640 35.315 ( 2.734 6.034 0.450) 6.640 35.484 ( -3.160 -1.553 -1.914) 4.007 35.484 ( 3.160 -1.553 -1.914) 4.007 ======================= Grid point 428 (84/84) ======================= q-point: (-0.50 -0.50 0.43) 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.599 ( -0.000 -0.000 34.755) 34.755 3.599 ( 0.000 0.000 34.755) 34.755 3.728 ( -0.000 -0.000 25.199) 25.199 3.728 ( 0.000 0.000 25.199) 25.199 5.609 ( -0.000 -0.000 -20.641) 20.641 5.609 ( 0.000 0.000 -20.641) 20.641 5.716 ( -0.000 -0.000 -27.889) 27.889 5.716 ( 0.000 0.000 -27.889) 27.889 9.530 ( -0.000 -0.000 1.610) 1.610 9.530 ( 0.000 0.000 1.610) 1.610 9.547 ( -0.000 -0.000 0.119) 0.119 9.547 ( 0.000 0.000 0.119) 0.119 10.417 ( -0.000 -0.000 3.459) 3.459 10.417 ( 0.000 0.000 3.459) 3.459 10.436 ( -0.000 -0.000 2.009) 2.009 10.436 ( 0.000 0.000 2.009) 2.009 11.261 ( -0.000 -0.000 5.030) 5.030 11.261 ( 0.000 0.000 5.030) 5.030 11.348 ( 0.000 0.000 -3.050) 3.050 11.348 ( 0.000 0.000 -3.050) 3.050 17.629 ( -0.000 -0.000 -0.289) 0.289 17.629 ( 0.000 0.000 -0.289) 0.289 17.691 ( -0.000 -0.000 -6.200) 6.200 17.691 ( 0.000 0.000 -6.200) 6.200 23.896 ( -0.000 -0.000 3.637) 3.637 23.896 ( 0.000 0.000 3.637) 3.637 23.929 ( -0.000 -0.000 0.389) 0.389 23.929 ( 0.000 0.000 0.389) 0.389 32.190 ( -0.000 -0.000 0.880) 0.880 32.190 ( 0.000 0.000 0.880) 0.880 32.208 ( -0.000 -0.000 -0.850) 0.850 32.208 ( 0.000 0.000 -0.850) 0.850 35.415 ( -0.000 -0.000 0.130) 0.130 35.415 ( 0.000 0.000 0.130) 0.130 35.432 ( -0.000 -0.000 -1.505) 1.505 35.432 ( 0.000 0.000 -1.505) 1.505 =================== 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 3/25200 10.0 60.918 60.918 72.665 -0.000 0.000 0.000 3/25200 20.0 34.519 34.519 53.132 0.000 0.000 0.000 3/25200 30.0 24.724 24.724 37.984 0.000 0.000 0.000 3/25200 40.0 19.967 19.967 29.639 0.000 0.000 0.000 3/25200 50.0 17.072 17.072 24.376 0.000 0.000 0.000 3/25200 60.0 15.065 15.065 20.736 -0.000 0.000 0.000 3/25200 70.0 13.558 13.558 18.061 -0.000 0.000 0.000 3/25200 80.0 12.368 12.368 16.009 -0.000 0.000 0.000 3/25200 90.0 11.397 11.397 14.385 -0.000 0.000 0.000 3/25200 100.0 10.586 10.586 13.070 -0.000 0.000 0.000 3/25200 110.0 9.898 9.898 11.986 -0.000 0.000 0.000 3/25200 120.0 9.307 9.307 11.077 -0.000 0.000 0.000 3/25200 130.0 8.793 8.793 10.306 -0.000 0.000 0.000 3/25200 140.0 8.342 8.342 9.645 -0.000 0.000 0.000 3/25200 150.0 7.942 7.942 9.072 -0.000 0.000 0.000 3/25200 160.0 7.586 7.586 8.570 -0.000 0.000 0.000 3/25200 170.0 7.265 7.265 8.126 -0.000 0.000 0.000 3/25200 180.0 6.973 6.973 7.732 -0.000 0.000 0.000 3/25200 190.0 6.708 6.708 7.378 -0.000 0.000 0.000 3/25200 200.0 6.464 6.464 7.059 -0.000 0.000 0.000 3/25200 210.0 6.239 6.239 6.768 -0.000 0.000 0.000 3/25200 220.0 6.030 6.030 6.503 -0.000 0.000 0.000 3/25200 230.0 5.835 5.835 6.259 -0.000 0.000 0.000 3/25200 240.0 5.654 5.654 6.035 -0.000 0.000 0.000 3/25200 250.0 5.483 5.483 5.827 -0.000 0.000 0.000 3/25200 260.0 5.323 5.323 5.633 -0.000 0.000 0.000 3/25200 270.0 5.172 5.172 5.453 -0.000 0.000 0.000 3/25200 280.0 5.029 5.029 5.284 -0.000 0.000 0.000 3/25200 290.0 4.894 4.894 5.125 0.000 0.000 0.000 3/25200 300.0 4.765 4.765 4.976 0.000 0.000 0.000 3/25200 310.0 4.643 4.643 4.836 0.000 0.000 0.000 3/25200 320.0 4.527 4.527 4.703 0.000 0.000 0.000 3/25200 330.0 4.417 4.417 4.578 0.000 0.000 0.000 3/25200 340.0 4.311 4.311 4.459 0.000 0.000 0.000 3/25200 350.0 4.210 4.210 4.346 0.000 0.000 0.000 3/25200 360.0 4.114 4.114 4.239 0.000 0.000 0.000 3/25200 370.0 4.022 4.022 4.137 0.000 0.000 0.000 3/25200 380.0 3.933 3.933 4.039 0.000 0.000 0.000 3/25200 390.0 3.848 3.848 3.946 0.000 0.000 0.000 3/25200 400.0 3.767 3.767 3.858 0.000 0.000 0.000 3/25200 410.0 3.689 3.689 3.773 0.000 0.000 0.000 3/25200 420.0 3.614 3.614 3.691 0.000 0.000 0.000 3/25200 430.0 3.541 3.541 3.613 0.000 0.000 0.000 3/25200 440.0 3.472 3.472 3.538 0.000 0.000 0.000 3/25200 450.0 3.405 3.405 3.467 0.000 0.000 0.000 3/25200 460.0 3.340 3.340 3.398 0.000 0.000 0.000 3/25200 470.0 3.278 3.278 3.331 0.000 0.000 0.000 3/25200 480.0 3.218 3.218 3.268 0.000 0.000 0.000 3/25200 490.0 3.160 3.160 3.206 0.000 0.000 0.000 3/25200 500.0 3.104 3.104 3.147 0.000 0.000 0.000 3/25200 510.0 3.050 3.050 3.090 0.000 0.000 0.000 3/25200 520.0 2.997 2.997 3.034 0.000 0.000 0.000 3/25200 530.0 2.947 2.947 2.981 0.000 0.000 0.000 3/25200 540.0 2.898 2.898 2.930 0.000 0.000 0.000 3/25200 550.0 2.850 2.850 2.880 0.000 0.000 0.000 3/25200 560.0 2.804 2.804 2.832 0.000 0.000 0.000 3/25200 570.0 2.759 2.759 2.785 0.000 0.000 0.000 3/25200 580.0 2.716 2.716 2.740 0.000 0.000 0.000 3/25200 590.0 2.674 2.674 2.697 0.000 0.000 0.000 3/25200 600.0 2.633 2.633 2.654 0.000 0.000 0.000 3/25200 610.0 2.594 2.594 2.613 0.000 0.000 0.000 3/25200 620.0 2.555 2.555 2.574 0.000 0.000 0.000 3/25200 630.0 2.518 2.518 2.535 0.000 0.000 0.000 3/25200 640.0 2.482 2.482 2.497 0.000 0.000 0.000 3/25200 650.0 2.446 2.446 2.461 0.000 0.000 0.000 3/25200 660.0 2.412 2.412 2.426 0.000 0.000 0.000 3/25200 670.0 2.379 2.379 2.391 0.000 0.000 0.000 3/25200 680.0 2.346 2.346 2.358 0.000 0.000 0.000 3/25200 690.0 2.314 2.314 2.325 0.000 0.000 0.000 3/25200 700.0 2.283 2.283 2.293 0.000 0.000 0.000 3/25200 710.0 2.253 2.253 2.263 0.000 0.000 0.000 3/25200 720.0 2.224 2.224 2.233 0.000 0.000 0.000 3/25200 730.0 2.195 2.195 2.203 0.000 0.000 0.000 3/25200 740.0 2.168 2.168 2.175 0.000 0.000 0.000 3/25200 750.0 2.140 2.140 2.147 0.000 0.000 0.000 3/25200 760.0 2.114 2.114 2.120 0.000 0.000 0.000 3/25200 770.0 2.088 2.088 2.093 0.000 0.000 0.000 3/25200 780.0 2.063 2.063 2.068 0.000 0.000 0.000 3/25200 790.0 2.038 2.038 2.042 0.000 0.000 0.000 3/25200 800.0 2.014 2.014 2.018 0.000 0.000 0.000 3/25200 810.0 1.990 1.990 1.994 0.000 0.000 0.000 3/25200 820.0 1.967 1.967 1.970 0.000 0.000 0.000 3/25200 830.0 1.945 1.945 1.947 0.000 0.000 0.000 3/25200 840.0 1.923 1.923 1.925 0.000 0.000 0.000 3/25200 850.0 1.901 1.901 1.903 0.000 0.000 0.000 3/25200 860.0 1.880 1.880 1.882 0.000 0.000 0.000 3/25200 870.0 1.859 1.859 1.861 0.000 0.000 0.000 3/25200 880.0 1.839 1.839 1.840 0.000 0.000 0.000 3/25200 890.0 1.819 1.819 1.820 0.000 0.000 0.000 3/25200 900.0 1.800 1.800 1.801 0.000 0.000 0.000 3/25200 910.0 1.781 1.781 1.782 0.000 0.000 0.000 3/25200 920.0 1.763 1.763 1.763 0.000 0.000 0.000 3/25200 930.0 1.744 1.744 1.744 0.000 0.000 0.000 3/25200 940.0 1.727 1.727 1.726 0.000 0.000 0.000 3/25200 950.0 1.709 1.709 1.709 0.000 0.000 0.000 3/25200 960.0 1.692 1.692 1.691 0.000 0.000 0.000 3/25200 970.0 1.675 1.675 1.674 0.000 0.000 0.000 3/25200 980.0 1.659 1.659 1.658 0.000 0.000 0.000 3/25200 990.0 1.643 1.643 1.641 0.000 0.000 0.000 3/25200 1000.0 1.627 1.627 1.625 0.000 0.000 0.000 3/25200 Thermal conductivity related properties were written into "kappa-m10107.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:08:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|