----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:30:03]------------------------- 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 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.325102810000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.339916620000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.134484400000000 Atomic positions (fractional): *1 O 0.29599911794240 0.45264198615419 0.70325217864664 15.999 2 O 0.20400088205760 0.54735801384580 0.20325217864664 15.999 3 O 0.79599911794240 0.04735801384580 0.79674782135336 15.999 4 O 0.70400088205760 0.95264198615420 0.29674782135336 15.999 5 O 0.70400088205760 0.54735801384580 0.29674782135336 15.999 6 O 0.79599911794240 0.45264198615419 0.79674782135336 15.999 7 O 0.20400088205760 0.95264198615420 0.20325217864664 15.999 8 O 0.29599911794240 0.04735801384580 0.70325217864664 15.999 *9 O 0.47543899332739 0.25000000000000 0.09017479940751 15.999 10 O 0.02456100667261 0.75000000000000 0.59017479940751 15.999 11 O 0.97543899332739 0.25000000000000 0.40982520059249 15.999 12 O 0.52456100667261 0.75000000000000 0.90982520059249 15.999 *13 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 14 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 15 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 16 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 *17 Ho 0.94162016310379 0.75000000000000 0.01456613790085 164.930 18 Ho 0.55837983689621 0.25000000000000 0.51456613790085 164.930 19 Ho 0.44162016310378 0.75000000000000 0.48543386209915 164.930 20 Ho 0.05837983689622 0.25000000000000 0.98543386209915 164.930 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.325102810000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.339916620000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.134484400000000 Atomic positions (fractional): *1 O 0.29599911794240 0.45264198615419 0.70325217864664 15.999 > 1 2 O 0.20400088205760 0.54735801384580 0.20325217864664 15.999 > 2 3 O 0.79599911794240 0.04735801384580 0.79674782135336 15.999 > 3 4 O 0.70400088205760 0.95264198615420 0.29674782135336 15.999 > 4 5 O 0.70400088205760 0.54735801384580 0.29674782135336 15.999 > 5 6 O 0.79599911794240 0.45264198615419 0.79674782135336 15.999 > 6 7 O 0.20400088205760 0.95264198615420 0.20325217864664 15.999 > 7 8 O 0.29599911794240 0.04735801384580 0.70325217864664 15.999 > 8 *9 O 0.47543899332739 0.25000000000000 0.09017479940751 15.999 > 9 10 O 0.02456100667261 0.75000000000000 0.59017479940751 15.999 > 10 11 O 0.97543899332739 0.25000000000000 0.40982520059249 15.999 > 11 12 O 0.52456100667261 0.75000000000000 0.90982520059249 15.999 > 12 *13 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 13 14 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 14 15 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 > 15 16 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 16 *17 Ho 0.94162016310379 0.75000000000000 0.01456613790085 164.930 > 17 18 Ho 0.55837983689621 0.25000000000000 0.51456613790085 164.930 > 18 19 Ho 0.44162016310378 0.75000000000000 0.48543386209915 164.930 > 19 20 Ho 0.05837983689622 0.25000000000000 0.98543386209915 164.930 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.650205619999999 0.000000000000000 0.000000000000000 b 0.000000000000000 7.339916620000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.268968800000000 Atomic positions (fractional): *1 O 0.14799955897120 0.45264198615419 0.35162608932332 15.999 > 1 2 O 0.64799955897120 0.45264198615419 0.35162608932332 15.999 > 1 3 O 0.14799955897120 0.45264198615419 0.85162608932332 15.999 > 1 4 O 0.64799955897120 0.45264198615419 0.85162608932332 15.999 > 1 5 O 0.10200044102880 0.54735801384580 0.10162608932332 15.999 > 2 6 O 0.60200044102880 0.54735801384580 0.10162608932332 15.999 > 2 7 O 0.10200044102880 0.54735801384580 0.60162608932332 15.999 > 2 8 O 0.60200044102880 0.54735801384580 0.60162608932332 15.999 > 2 9 O 0.39799955897120 0.04735801384580 0.39837391067668 15.999 > 3 10 O 0.89799955897120 0.04735801384580 0.39837391067668 15.999 > 3 11 O 0.39799955897120 0.04735801384580 0.89837391067668 15.999 > 3 12 O 0.89799955897120 0.04735801384580 0.89837391067668 15.999 > 3 13 O 0.35200044102880 0.95264198615420 0.14837391067668 15.999 > 4 14 O 0.85200044102880 0.95264198615420 0.14837391067668 15.999 > 4 15 O 0.35200044102880 0.95264198615420 0.64837391067668 15.999 > 4 16 O 0.85200044102880 0.95264198615420 0.64837391067668 15.999 > 4 17 O 0.35200044102880 0.54735801384580 0.14837391067668 15.999 > 5 18 O 0.85200044102880 0.54735801384580 0.14837391067668 15.999 > 5 19 O 0.35200044102880 0.54735801384580 0.64837391067668 15.999 > 5 20 O 0.85200044102880 0.54735801384580 0.64837391067668 15.999 > 5 21 O 0.39799955897120 0.45264198615419 0.39837391067668 15.999 > 6 22 O 0.89799955897120 0.45264198615419 0.39837391067668 15.999 > 6 23 O 0.39799955897120 0.45264198615419 0.89837391067668 15.999 > 6 24 O 0.89799955897120 0.45264198615419 0.89837391067668 15.999 > 6 25 O 0.10200044102880 0.95264198615420 0.10162608932332 15.999 > 7 26 O 0.60200044102880 0.95264198615420 0.10162608932332 15.999 > 7 27 O 0.10200044102880 0.95264198615420 0.60162608932332 15.999 > 7 28 O 0.60200044102880 0.95264198615420 0.60162608932332 15.999 > 7 29 O 0.14799955897120 0.04735801384580 0.35162608932332 15.999 > 8 30 O 0.64799955897120 0.04735801384580 0.35162608932332 15.999 > 8 31 O 0.14799955897120 0.04735801384580 0.85162608932332 15.999 > 8 32 O 0.64799955897120 0.04735801384580 0.85162608932332 15.999 > 8 *33 O 0.23771949666370 0.25000000000000 0.04508739970376 15.999 > 9 34 O 0.73771949666370 0.25000000000000 0.04508739970376 15.999 > 9 35 O 0.23771949666370 0.25000000000000 0.54508739970376 15.999 > 9 36 O 0.73771949666370 0.25000000000000 0.54508739970376 15.999 > 9 37 O 0.01228050333630 0.75000000000000 0.29508739970376 15.999 > 10 38 O 0.51228050333630 0.75000000000000 0.29508739970376 15.999 > 10 39 O 0.01228050333630 0.75000000000000 0.79508739970376 15.999 > 10 40 O 0.51228050333630 0.75000000000000 0.79508739970376 15.999 > 10 41 O 0.48771949666370 0.25000000000000 0.20491260029624 15.999 > 11 42 O 0.98771949666370 0.25000000000000 0.20491260029624 15.999 > 11 43 O 0.48771949666370 0.25000000000000 0.70491260029624 15.999 > 11 44 O 0.98771949666370 0.25000000000000 0.70491260029624 15.999 > 11 45 O 0.26228050333630 0.75000000000000 0.45491260029624 15.999 > 12 46 O 0.76228050333630 0.75000000000000 0.45491260029624 15.999 > 12 47 O 0.26228050333630 0.75000000000000 0.95491260029624 15.999 > 12 48 O 0.76228050333630 0.75000000000000 0.95491260029624 15.999 > 12 *49 Al 0.00000000000000 0.50000000000000 0.25000000000000 26.982 > 13 50 Al 0.50000000000000 0.50000000000000 0.25000000000000 26.982 > 13 51 Al 0.00000000000000 0.50000000000000 0.75000000000000 26.982 > 13 52 Al 0.50000000000000 0.50000000000000 0.75000000000000 26.982 > 13 53 Al 0.25000000000000 0.50000000000000 0.00000000000000 26.982 > 14 54 Al 0.75000000000000 0.50000000000000 0.00000000000000 26.982 > 14 55 Al 0.25000000000000 0.50000000000000 0.50000000000000 26.982 > 14 56 Al 0.75000000000000 0.50000000000000 0.50000000000000 26.982 > 14 57 Al 0.25000000000000 0.00000000000000 0.00000000000000 26.982 > 15 58 Al 0.75000000000000 0.00000000000000 0.00000000000000 26.982 > 15 59 Al 0.25000000000000 0.00000000000000 0.50000000000000 26.982 > 15 60 Al 0.75000000000000 0.00000000000000 0.50000000000000 26.982 > 15 61 Al 0.00000000000000 0.00000000000000 0.25000000000000 26.982 > 16 62 Al 0.50000000000000 0.00000000000000 0.25000000000000 26.982 > 16 63 Al 0.00000000000000 0.00000000000000 0.75000000000000 26.982 > 16 64 Al 0.50000000000000 0.00000000000000 0.75000000000000 26.982 > 16 *65 Ho 0.47081008155189 0.75000000000000 0.00728306895042 164.930 > 17 66 Ho 0.97081008155189 0.75000000000000 0.00728306895042 164.930 > 17 67 Ho 0.47081008155189 0.75000000000000 0.50728306895042 164.930 > 17 68 Ho 0.97081008155189 0.75000000000000 0.50728306895042 164.930 > 17 69 Ho 0.27918991844811 0.25000000000000 0.25728306895042 164.930 > 18 70 Ho 0.77918991844811 0.25000000000000 0.25728306895042 164.930 > 18 71 Ho 0.27918991844811 0.25000000000000 0.75728306895042 164.930 > 18 72 Ho 0.77918991844811 0.25000000000000 0.75728306895042 164.930 > 18 73 Ho 0.22081008155189 0.75000000000000 0.24271693104958 164.930 > 19 74 Ho 0.72081008155189 0.75000000000000 0.24271693104958 164.930 > 19 75 Ho 0.22081008155189 0.75000000000000 0.74271693104958 164.930 > 19 76 Ho 0.72081008155189 0.75000000000000 0.74271693104958 164.930 > 19 77 Ho 0.02918991844811 0.25000000000000 0.49271693104958 164.930 > 20 78 Ho 0.52918991844811 0.25000000000000 0.49271693104958 164.930 > 20 79 Ho 0.02918991844811 0.25000000000000 0.99271693104958 164.930 > 20 80 Ho 0.52918991844811 0.25000000000000 0.99271693104958 164.930 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1241118 0.0000000 0.0000000 0.0000000 4.0263182 0.0000000 0.0000000 0.0000000 4.1872534 -------------------------- Born effective charges -------------------------- 1 O -2.3500178 0.0650759 -0.0341004 0.0871364 -2.1747600 0.1252503 -0.0019398 0.1634044 -2.2640506 2 O -2.3500178 0.0650759 0.0341004 0.0871364 -2.1747600 -0.1252503 0.0019398 -0.1634044 -2.2640506 3 O -2.3500178 -0.0650759 0.0341004 -0.0871364 -2.1747600 0.1252503 0.0019398 0.1634044 -2.2640506 4 O -2.3500178 -0.0650759 -0.0341004 -0.0871364 -2.1747600 -0.1252503 -0.0019398 -0.1634044 -2.2640506 5 O -2.3500178 0.0650759 -0.0341004 0.0871364 -2.1747600 0.1252503 -0.0019398 0.1634044 -2.2640506 6 O -2.3500178 0.0650759 0.0341004 0.0871364 -2.1747600 -0.1252503 0.0019398 -0.1634044 -2.2640506 7 O -2.3500178 -0.0650759 0.0341004 -0.0871364 -2.1747600 0.1252503 0.0019398 0.1634044 -2.2640506 8 O -2.3500178 -0.0650759 -0.0341004 -0.0871364 -2.1747600 -0.1252503 -0.0019398 -0.1634044 -2.2640506 9 O -2.1381341 0.0000000 -0.2465230 0.0000000 -2.2742973 0.0000000 -0.3522500 0.0000000 -2.4119557 10 O -2.1381341 0.0000000 0.2465230 0.0000000 -2.2742973 0.0000000 0.3522500 0.0000000 -2.4119557 11 O -2.1381341 0.0000000 0.2465230 0.0000000 -2.2742973 0.0000000 0.3522500 0.0000000 -2.4119557 12 O -2.1381341 0.0000000 -0.2465230 0.0000000 -2.2742973 0.0000000 -0.3522500 0.0000000 -2.4119557 13 Al 2.9625605 0.0787221 0.2085633 -0.0046097 2.9419516 -0.1775421 0.0210794 0.0420835 2.9164218 14 Al 2.9625605 0.0787221 -0.2085633 -0.0046097 2.9419516 0.1775421 -0.0210794 -0.0420835 2.9164218 15 Al 2.9625605 -0.0787221 -0.2085633 0.0046097 2.9419516 -0.1775421 -0.0210794 0.0420835 2.9164218 16 Al 2.9625605 -0.0787221 0.2085633 0.0046097 2.9419516 0.1775421 0.0210794 -0.0420835 2.9164218 17 Ho 3.8756093 0.0000000 -0.0274796 0.0000000 3.6818657 0.0000000 0.1888264 0.0000000 4.0236350 18 Ho 3.8756093 0.0000000 0.0274796 0.0000000 3.6818657 0.0000000 -0.1888264 0.0000000 4.0236350 19 Ho 3.8756093 0.0000000 0.0274796 0.0000000 3.6818657 0.0000000 -0.1888264 0.0000000 4.0236350 20 Ho 3.8756093 0.0000000 -0.0274796 0.0000000 3.6818657 0.0000000 0.1888264 0.0000000 4.0236350 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 320 - Time: 0.865 Solver_block: 200 / 320 - Time: 0.865 Solver_block: 300 / 320 - Time: 0.799 Solver_block: 320 / 320 - Time: 0.194 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.764 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:30:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:30:21]------------------------- 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 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.325102810000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.339916620000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.134484400000000 Atomic positions (fractional): 1 O 0.29599911794240 0.45264198615419 0.70325217864664 15.999 2 O 0.20400088205760 0.54735801384580 0.20325217864664 15.999 3 O 0.79599911794240 0.04735801384580 0.79674782135336 15.999 4 O 0.70400088205760 0.95264198615420 0.29674782135336 15.999 5 O 0.70400088205760 0.54735801384580 0.29674782135336 15.999 6 O 0.79599911794240 0.45264198615419 0.79674782135336 15.999 7 O 0.20400088205760 0.95264198615420 0.20325217864664 15.999 8 O 0.29599911794240 0.04735801384580 0.70325217864664 15.999 9 O 0.47543899332739 0.25000000000000 0.09017479940751 15.999 10 O 0.02456100667261 0.75000000000000 0.59017479940751 15.999 11 O 0.97543899332739 0.25000000000000 0.40982520059249 15.999 12 O 0.52456100667261 0.75000000000000 0.90982520059249 15.999 13 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 14 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 15 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 16 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 17 Ho 0.94162016310379 0.75000000000000 0.01456613790085 164.930 18 Ho 0.55837983689621 0.25000000000000 0.51456613790085 164.930 19 Ho 0.44162016310378 0.75000000000000 0.48543386209915 164.930 20 Ho 0.05837983689622 0.25000000000000 0.98543386209915 164.930 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.650205619999999 0.000000000000000 0.000000000000000 b 0.000000000000000 7.339916620000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.268968800000000 Atomic positions (fractional): 1 O 0.14799955897120 0.45264198615419 0.35162608932332 15.999 > 1 2 O 0.64799955897120 0.45264198615419 0.35162608932332 15.999 > 1 3 O 0.14799955897120 0.45264198615419 0.85162608932332 15.999 > 1 4 O 0.64799955897120 0.45264198615419 0.85162608932332 15.999 > 1 5 O 0.10200044102880 0.54735801384580 0.10162608932332 15.999 > 5 6 O 0.60200044102880 0.54735801384580 0.10162608932332 15.999 > 5 7 O 0.10200044102880 0.54735801384580 0.60162608932332 15.999 > 5 8 O 0.60200044102880 0.54735801384580 0.60162608932332 15.999 > 5 9 O 0.39799955897120 0.04735801384580 0.39837391067668 15.999 > 9 10 O 0.89799955897120 0.04735801384580 0.39837391067668 15.999 > 9 11 O 0.39799955897120 0.04735801384580 0.89837391067668 15.999 > 9 12 O 0.89799955897120 0.04735801384580 0.89837391067668 15.999 > 9 13 O 0.35200044102880 0.95264198615420 0.14837391067668 15.999 > 13 14 O 0.85200044102880 0.95264198615420 0.14837391067668 15.999 > 13 15 O 0.35200044102880 0.95264198615420 0.64837391067668 15.999 > 13 16 O 0.85200044102880 0.95264198615420 0.64837391067668 15.999 > 13 17 O 0.35200044102880 0.54735801384580 0.14837391067668 15.999 > 17 18 O 0.85200044102880 0.54735801384580 0.14837391067668 15.999 > 17 19 O 0.35200044102880 0.54735801384580 0.64837391067668 15.999 > 17 20 O 0.85200044102880 0.54735801384580 0.64837391067668 15.999 > 17 21 O 0.39799955897120 0.45264198615419 0.39837391067668 15.999 > 21 22 O 0.89799955897120 0.45264198615419 0.39837391067668 15.999 > 21 23 O 0.39799955897120 0.45264198615419 0.89837391067668 15.999 > 21 24 O 0.89799955897120 0.45264198615419 0.89837391067668 15.999 > 21 25 O 0.10200044102880 0.95264198615420 0.10162608932332 15.999 > 25 26 O 0.60200044102880 0.95264198615420 0.10162608932332 15.999 > 25 27 O 0.10200044102880 0.95264198615420 0.60162608932332 15.999 > 25 28 O 0.60200044102880 0.95264198615420 0.60162608932332 15.999 > 25 29 O 0.14799955897120 0.04735801384580 0.35162608932332 15.999 > 29 30 O 0.64799955897120 0.04735801384580 0.35162608932332 15.999 > 29 31 O 0.14799955897120 0.04735801384580 0.85162608932332 15.999 > 29 32 O 0.64799955897120 0.04735801384580 0.85162608932332 15.999 > 29 33 O 0.23771949666370 0.25000000000000 0.04508739970376 15.999 > 33 34 O 0.73771949666370 0.25000000000000 0.04508739970376 15.999 > 33 35 O 0.23771949666370 0.25000000000000 0.54508739970376 15.999 > 33 36 O 0.73771949666370 0.25000000000000 0.54508739970376 15.999 > 33 37 O 0.01228050333630 0.75000000000000 0.29508739970376 15.999 > 37 38 O 0.51228050333630 0.75000000000000 0.29508739970376 15.999 > 37 39 O 0.01228050333630 0.75000000000000 0.79508739970376 15.999 > 37 40 O 0.51228050333630 0.75000000000000 0.79508739970376 15.999 > 37 41 O 0.48771949666370 0.25000000000000 0.20491260029624 15.999 > 41 42 O 0.98771949666370 0.25000000000000 0.20491260029624 15.999 > 41 43 O 0.48771949666370 0.25000000000000 0.70491260029624 15.999 > 41 44 O 0.98771949666370 0.25000000000000 0.70491260029624 15.999 > 41 45 O 0.26228050333630 0.75000000000000 0.45491260029624 15.999 > 45 46 O 0.76228050333630 0.75000000000000 0.45491260029624 15.999 > 45 47 O 0.26228050333630 0.75000000000000 0.95491260029624 15.999 > 45 48 O 0.76228050333630 0.75000000000000 0.95491260029624 15.999 > 45 49 Al 0.00000000000000 0.50000000000000 0.25000000000000 26.982 > 49 50 Al 0.50000000000000 0.50000000000000 0.25000000000000 26.982 > 49 51 Al 0.00000000000000 0.50000000000000 0.75000000000000 26.982 > 49 52 Al 0.50000000000000 0.50000000000000 0.75000000000000 26.982 > 49 53 Al 0.25000000000000 0.50000000000000 0.00000000000000 26.982 > 53 54 Al 0.75000000000000 0.50000000000000 0.00000000000000 26.982 > 53 55 Al 0.25000000000000 0.50000000000000 0.50000000000000 26.982 > 53 56 Al 0.75000000000000 0.50000000000000 0.50000000000000 26.982 > 53 57 Al 0.25000000000000 0.00000000000000 0.00000000000000 26.982 > 57 58 Al 0.75000000000000 0.00000000000000 0.00000000000000 26.982 > 57 59 Al 0.25000000000000 0.00000000000000 0.50000000000000 26.982 > 57 60 Al 0.75000000000000 0.00000000000000 0.50000000000000 26.982 > 57 61 Al 0.00000000000000 0.00000000000000 0.25000000000000 26.982 > 61 62 Al 0.50000000000000 0.00000000000000 0.25000000000000 26.982 > 61 63 Al 0.00000000000000 0.00000000000000 0.75000000000000 26.982 > 61 64 Al 0.50000000000000 0.00000000000000 0.75000000000000 26.982 > 61 65 Ho 0.47081008155189 0.75000000000000 0.00728306895042 164.930 > 65 66 Ho 0.97081008155189 0.75000000000000 0.00728306895042 164.930 > 65 67 Ho 0.47081008155189 0.75000000000000 0.50728306895042 164.930 > 65 68 Ho 0.97081008155189 0.75000000000000 0.50728306895042 164.930 > 65 69 Ho 0.27918991844811 0.25000000000000 0.25728306895042 164.930 > 69 70 Ho 0.77918991844811 0.25000000000000 0.25728306895042 164.930 > 69 71 Ho 0.27918991844811 0.25000000000000 0.75728306895042 164.930 > 69 72 Ho 0.77918991844811 0.25000000000000 0.75728306895042 164.930 > 69 73 Ho 0.22081008155189 0.75000000000000 0.24271693104958 164.930 > 73 74 Ho 0.72081008155189 0.75000000000000 0.24271693104958 164.930 > 73 75 Ho 0.22081008155189 0.75000000000000 0.74271693104958 164.930 > 73 76 Ho 0.72081008155189 0.75000000000000 0.74271693104958 164.930 > 73 77 Ho 0.02918991844811 0.25000000000000 0.49271693104958 164.930 > 77 78 Ho 0.52918991844811 0.25000000000000 0.49271693104958 164.930 > 77 79 Ho 0.02918991844811 0.25000000000000 0.99271693104958 164.930 > 77 80 Ho 0.52918991844811 0.25000000000000 0.99271693104958 164.930 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1241118 0.0000000 0.0000000 0.0000000 4.0263182 0.0000000 0.0000000 0.0000000 4.1872534 -------------------------- Born effective charges -------------------------- 1 O -2.3500178 0.0650759 -0.0341004 0.0871364 -2.1747600 0.1252503 -0.0019398 0.1634044 -2.2640506 2 O -2.3500178 0.0650759 0.0341004 0.0871364 -2.1747600 -0.1252503 0.0019398 -0.1634044 -2.2640506 3 O -2.3500178 -0.0650759 0.0341004 -0.0871364 -2.1747600 0.1252503 0.0019398 0.1634044 -2.2640506 4 O -2.3500178 -0.0650759 -0.0341004 -0.0871364 -2.1747600 -0.1252503 -0.0019398 -0.1634044 -2.2640506 5 O -2.3500178 0.0650759 -0.0341004 0.0871364 -2.1747600 0.1252503 -0.0019398 0.1634044 -2.2640506 6 O -2.3500178 0.0650759 0.0341004 0.0871364 -2.1747600 -0.1252503 0.0019398 -0.1634044 -2.2640506 7 O -2.3500178 -0.0650759 0.0341004 -0.0871364 -2.1747600 0.1252503 0.0019398 0.1634044 -2.2640506 8 O -2.3500178 -0.0650759 -0.0341004 -0.0871364 -2.1747600 -0.1252503 -0.0019398 -0.1634044 -2.2640506 9 O -2.1381341 0.0000000 -0.2465230 0.0000000 -2.2742973 0.0000000 -0.3522500 0.0000000 -2.4119557 10 O -2.1381341 0.0000000 0.2465230 0.0000000 -2.2742973 0.0000000 0.3522500 0.0000000 -2.4119557 11 O -2.1381341 0.0000000 0.2465230 0.0000000 -2.2742973 0.0000000 0.3522500 0.0000000 -2.4119557 12 O -2.1381341 0.0000000 -0.2465230 0.0000000 -2.2742973 0.0000000 -0.3522500 0.0000000 -2.4119557 13 Al 2.9625605 0.0787221 0.2085633 -0.0046097 2.9419516 -0.1775421 0.0210794 0.0420835 2.9164218 14 Al 2.9625605 0.0787221 -0.2085633 -0.0046097 2.9419516 0.1775421 -0.0210794 -0.0420835 2.9164218 15 Al 2.9625605 -0.0787221 -0.2085633 0.0046097 2.9419516 -0.1775421 -0.0210794 0.0420835 2.9164218 16 Al 2.9625605 -0.0787221 0.2085633 0.0046097 2.9419516 0.1775421 0.0210794 -0.0420835 2.9164218 17 Ho 3.8756093 0.0000000 -0.0274796 0.0000000 3.6818657 0.0000000 0.1888264 0.0000000 4.0236350 18 Ho 3.8756093 0.0000000 0.0274796 0.0000000 3.6818657 0.0000000 -0.1888264 0.0000000 4.0236350 19 Ho 3.8756093 0.0000000 0.0274796 0.0000000 3.6818657 0.0000000 -0.1888264 0.0000000 4.0236350 20 Ho 3.8756093 0.0000000 -0.0274796 0.0000000 3.6818657 0.0000000 0.1888264 0.0000000 4.0236350 ---------------------------------------------------------------------------- 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[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000005 (yzy) 0.00000005 (yzy) 0.00000005 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000005 (xy) -0.00000005 (xy) 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 20:30:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:30:33]------------------------- 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 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.325102810000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.339916620000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.134484400000000 Atomic positions (fractional): 1 O 0.29599911794240 0.45264198615419 0.70325217864664 15.999 2 O 0.20400088205760 0.54735801384580 0.20325217864664 15.999 3 O 0.79599911794240 0.04735801384580 0.79674782135336 15.999 4 O 0.70400088205760 0.95264198615420 0.29674782135336 15.999 5 O 0.70400088205760 0.54735801384580 0.29674782135336 15.999 6 O 0.79599911794240 0.45264198615419 0.79674782135336 15.999 7 O 0.20400088205760 0.95264198615420 0.20325217864664 15.999 8 O 0.29599911794240 0.04735801384580 0.70325217864664 15.999 9 O 0.47543899332739 0.25000000000000 0.09017479940751 15.999 10 O 0.02456100667261 0.75000000000000 0.59017479940751 15.999 11 O 0.97543899332739 0.25000000000000 0.40982520059249 15.999 12 O 0.52456100667261 0.75000000000000 0.90982520059249 15.999 13 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 14 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 15 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 16 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 17 Ho 0.94162016310379 0.75000000000000 0.01456613790085 164.930 18 Ho 0.55837983689621 0.25000000000000 0.51456613790085 164.930 19 Ho 0.44162016310378 0.75000000000000 0.48543386209915 164.930 20 Ho 0.05837983689622 0.25000000000000 0.98543386209915 164.930 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.650205619999999 0.000000000000000 0.000000000000000 b 0.000000000000000 7.339916620000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.268968800000000 Atomic positions (fractional): 1 O 0.14799955897120 0.45264198615419 0.35162608932332 15.999 > 1 2 O 0.64799955897120 0.45264198615419 0.35162608932332 15.999 > 1 3 O 0.14799955897120 0.45264198615419 0.85162608932332 15.999 > 1 4 O 0.64799955897120 0.45264198615419 0.85162608932332 15.999 > 1 5 O 0.10200044102880 0.54735801384580 0.10162608932332 15.999 > 5 6 O 0.60200044102880 0.54735801384580 0.10162608932332 15.999 > 5 7 O 0.10200044102880 0.54735801384580 0.60162608932332 15.999 > 5 8 O 0.60200044102880 0.54735801384580 0.60162608932332 15.999 > 5 9 O 0.39799955897120 0.04735801384580 0.39837391067668 15.999 > 9 10 O 0.89799955897120 0.04735801384580 0.39837391067668 15.999 > 9 11 O 0.39799955897120 0.04735801384580 0.89837391067668 15.999 > 9 12 O 0.89799955897120 0.04735801384580 0.89837391067668 15.999 > 9 13 O 0.35200044102880 0.95264198615420 0.14837391067668 15.999 > 13 14 O 0.85200044102880 0.95264198615420 0.14837391067668 15.999 > 13 15 O 0.35200044102880 0.95264198615420 0.64837391067668 15.999 > 13 16 O 0.85200044102880 0.95264198615420 0.64837391067668 15.999 > 13 17 O 0.35200044102880 0.54735801384580 0.14837391067668 15.999 > 17 18 O 0.85200044102880 0.54735801384580 0.14837391067668 15.999 > 17 19 O 0.35200044102880 0.54735801384580 0.64837391067668 15.999 > 17 20 O 0.85200044102880 0.54735801384580 0.64837391067668 15.999 > 17 21 O 0.39799955897120 0.45264198615419 0.39837391067668 15.999 > 21 22 O 0.89799955897120 0.45264198615419 0.39837391067668 15.999 > 21 23 O 0.39799955897120 0.45264198615419 0.89837391067668 15.999 > 21 24 O 0.89799955897120 0.45264198615419 0.89837391067668 15.999 > 21 25 O 0.10200044102880 0.95264198615420 0.10162608932332 15.999 > 25 26 O 0.60200044102880 0.95264198615420 0.10162608932332 15.999 > 25 27 O 0.10200044102880 0.95264198615420 0.60162608932332 15.999 > 25 28 O 0.60200044102880 0.95264198615420 0.60162608932332 15.999 > 25 29 O 0.14799955897120 0.04735801384580 0.35162608932332 15.999 > 29 30 O 0.64799955897120 0.04735801384580 0.35162608932332 15.999 > 29 31 O 0.14799955897120 0.04735801384580 0.85162608932332 15.999 > 29 32 O 0.64799955897120 0.04735801384580 0.85162608932332 15.999 > 29 33 O 0.23771949666370 0.25000000000000 0.04508739970376 15.999 > 33 34 O 0.73771949666370 0.25000000000000 0.04508739970376 15.999 > 33 35 O 0.23771949666370 0.25000000000000 0.54508739970376 15.999 > 33 36 O 0.73771949666370 0.25000000000000 0.54508739970376 15.999 > 33 37 O 0.01228050333630 0.75000000000000 0.29508739970376 15.999 > 37 38 O 0.51228050333630 0.75000000000000 0.29508739970376 15.999 > 37 39 O 0.01228050333630 0.75000000000000 0.79508739970376 15.999 > 37 40 O 0.51228050333630 0.75000000000000 0.79508739970376 15.999 > 37 41 O 0.48771949666370 0.25000000000000 0.20491260029624 15.999 > 41 42 O 0.98771949666370 0.25000000000000 0.20491260029624 15.999 > 41 43 O 0.48771949666370 0.25000000000000 0.70491260029624 15.999 > 41 44 O 0.98771949666370 0.25000000000000 0.70491260029624 15.999 > 41 45 O 0.26228050333630 0.75000000000000 0.45491260029624 15.999 > 45 46 O 0.76228050333630 0.75000000000000 0.45491260029624 15.999 > 45 47 O 0.26228050333630 0.75000000000000 0.95491260029624 15.999 > 45 48 O 0.76228050333630 0.75000000000000 0.95491260029624 15.999 > 45 49 Al 0.00000000000000 0.50000000000000 0.25000000000000 26.982 > 49 50 Al 0.50000000000000 0.50000000000000 0.25000000000000 26.982 > 49 51 Al 0.00000000000000 0.50000000000000 0.75000000000000 26.982 > 49 52 Al 0.50000000000000 0.50000000000000 0.75000000000000 26.982 > 49 53 Al 0.25000000000000 0.50000000000000 0.00000000000000 26.982 > 53 54 Al 0.75000000000000 0.50000000000000 0.00000000000000 26.982 > 53 55 Al 0.25000000000000 0.50000000000000 0.50000000000000 26.982 > 53 56 Al 0.75000000000000 0.50000000000000 0.50000000000000 26.982 > 53 57 Al 0.25000000000000 0.00000000000000 0.00000000000000 26.982 > 57 58 Al 0.75000000000000 0.00000000000000 0.00000000000000 26.982 > 57 59 Al 0.25000000000000 0.00000000000000 0.50000000000000 26.982 > 57 60 Al 0.75000000000000 0.00000000000000 0.50000000000000 26.982 > 57 61 Al 0.00000000000000 0.00000000000000 0.25000000000000 26.982 > 61 62 Al 0.50000000000000 0.00000000000000 0.25000000000000 26.982 > 61 63 Al 0.00000000000000 0.00000000000000 0.75000000000000 26.982 > 61 64 Al 0.50000000000000 0.00000000000000 0.75000000000000 26.982 > 61 65 Ho 0.47081008155189 0.75000000000000 0.00728306895042 164.930 > 65 66 Ho 0.97081008155189 0.75000000000000 0.00728306895042 164.930 > 65 67 Ho 0.47081008155189 0.75000000000000 0.50728306895042 164.930 > 65 68 Ho 0.97081008155189 0.75000000000000 0.50728306895042 164.930 > 65 69 Ho 0.27918991844811 0.25000000000000 0.25728306895042 164.930 > 69 70 Ho 0.77918991844811 0.25000000000000 0.25728306895042 164.930 > 69 71 Ho 0.27918991844811 0.25000000000000 0.75728306895042 164.930 > 69 72 Ho 0.77918991844811 0.25000000000000 0.75728306895042 164.930 > 69 73 Ho 0.22081008155189 0.75000000000000 0.24271693104958 164.930 > 73 74 Ho 0.72081008155189 0.75000000000000 0.24271693104958 164.930 > 73 75 Ho 0.22081008155189 0.75000000000000 0.74271693104958 164.930 > 73 76 Ho 0.72081008155189 0.75000000000000 0.74271693104958 164.930 > 73 77 Ho 0.02918991844811 0.25000000000000 0.49271693104958 164.930 > 77 78 Ho 0.52918991844811 0.25000000000000 0.49271693104958 164.930 > 77 79 Ho 0.02918991844811 0.25000000000000 0.99271693104958 164.930 > 77 80 Ho 0.52918991844811 0.25000000000000 0.99271693104958 164.930 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.1241118 0.0000000 0.0000000 0.0000000 4.0263182 0.0000000 0.0000000 0.0000000 4.1872534 -------------------------- Born effective charges -------------------------- 1 O -2.3500178 0.0650759 -0.0341004 0.0871364 -2.1747600 0.1252503 -0.0019398 0.1634044 -2.2640506 2 O -2.3500178 0.0650759 0.0341004 0.0871364 -2.1747600 -0.1252503 0.0019398 -0.1634044 -2.2640506 3 O -2.3500178 -0.0650759 0.0341004 -0.0871364 -2.1747600 0.1252503 0.0019398 0.1634044 -2.2640506 4 O -2.3500178 -0.0650759 -0.0341004 -0.0871364 -2.1747600 -0.1252503 -0.0019398 -0.1634044 -2.2640506 5 O -2.3500178 0.0650759 -0.0341004 0.0871364 -2.1747600 0.1252503 -0.0019398 0.1634044 -2.2640506 6 O -2.3500178 0.0650759 0.0341004 0.0871364 -2.1747600 -0.1252503 0.0019398 -0.1634044 -2.2640506 7 O -2.3500178 -0.0650759 0.0341004 -0.0871364 -2.1747600 0.1252503 0.0019398 0.1634044 -2.2640506 8 O -2.3500178 -0.0650759 -0.0341004 -0.0871364 -2.1747600 -0.1252503 -0.0019398 -0.1634044 -2.2640506 9 O -2.1381341 0.0000000 -0.2465230 0.0000000 -2.2742973 0.0000000 -0.3522500 0.0000000 -2.4119557 10 O -2.1381341 0.0000000 0.2465230 0.0000000 -2.2742973 0.0000000 0.3522500 0.0000000 -2.4119557 11 O -2.1381341 0.0000000 0.2465230 0.0000000 -2.2742973 0.0000000 0.3522500 0.0000000 -2.4119557 12 O -2.1381341 0.0000000 -0.2465230 0.0000000 -2.2742973 0.0000000 -0.3522500 0.0000000 -2.4119557 13 Al 2.9625605 0.0787221 0.2085633 -0.0046097 2.9419516 -0.1775421 0.0210794 0.0420835 2.9164218 14 Al 2.9625605 0.0787221 -0.2085633 -0.0046097 2.9419516 0.1775421 -0.0210794 -0.0420835 2.9164218 15 Al 2.9625605 -0.0787221 -0.2085633 0.0046097 2.9419516 -0.1775421 -0.0210794 0.0420835 2.9164218 16 Al 2.9625605 -0.0787221 0.2085633 0.0046097 2.9419516 0.1775421 0.0210794 -0.0420835 2.9164218 17 Ho 3.8756093 0.0000000 -0.0274796 0.0000000 3.6818657 0.0000000 0.1888264 0.0000000 4.0236350 18 Ho 3.8756093 0.0000000 0.0274796 0.0000000 3.6818657 0.0000000 -0.1888264 0.0000000 4.0236350 19 Ho 3.8756093 0.0000000 0.0274796 0.0000000 3.6818657 0.0000000 -0.1888264 0.0000000 4.0236350 20 Ho 3.8756093 0.0000000 -0.0274796 0.0000000 3.6818657 0.0000000 0.1888264 0.0000000 4.0236350 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000005 (yzy) 0.00000005 (yzy) 0.00000005 (yyz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 7 10 ] 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: 0.71, Number of G-points: 315, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/120) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 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 2.971 ( 0.000 0.000 0.000) 0.000 3.417 ( 0.000 0.000 0.000) 0.000 3.485 ( 0.000 0.000 0.000) 0.000 3.776 ( 0.000 0.000 0.000) 0.000 4.000 ( 0.000 0.000 0.000) 0.000 4.231 ( 0.000 0.000 0.000) 0.000 4.365 ( 0.000 0.000 0.000) 0.000 4.822 ( 0.000 0.000 0.000) 0.000 5.092 ( 0.000 0.000 0.000) 0.000 6.187 ( 0.000 0.000 0.000) 0.000 6.350 ( 0.000 0.000 0.000) 0.000 7.024 ( 0.000 0.000 0.000) 0.000 7.041 ( 0.000 0.000 0.000) 0.000 7.833 ( 0.000 0.000 0.000) 0.000 8.017 ( 0.000 0.000 0.000) 0.000 8.217 ( 0.000 0.000 0.000) 0.000 9.089 ( 0.000 0.000 0.000) 0.000 10.244 ( 0.000 0.000 0.000) 0.000 10.279 ( 0.000 0.000 0.000) 0.000 10.448 ( 0.000 0.000 0.000) 0.000 10.657 ( 0.000 0.000 0.000) 0.000 10.926 ( 0.000 0.000 0.000) 0.000 11.265 ( 0.000 0.000 0.000) 0.000 11.410 ( 0.000 0.000 0.000) 0.000 11.425 ( 0.000 0.000 0.000) 0.000 11.862 ( 0.000 0.000 0.000) 0.000 12.193 ( 0.000 0.000 0.000) 0.000 12.443 ( 0.000 0.000 0.000) 0.000 12.740 ( 0.000 0.000 0.000) 0.000 12.818 ( 0.000 0.000 0.000) 0.000 12.990 ( 0.000 0.000 0.000) 0.000 13.233 ( 0.000 0.000 0.000) 0.000 13.251 ( 0.000 0.000 0.000) 0.000 13.300 ( 0.000 0.000 0.000) 0.000 14.056 ( 0.000 0.000 0.000) 0.000 14.059 ( 0.000 0.000 0.000) 0.000 14.205 ( 0.000 0.000 0.000) 0.000 14.465 ( 0.000 0.000 0.000) 0.000 14.519 ( 0.000 0.000 0.000) 0.000 14.551 ( 0.000 0.000 0.000) 0.000 15.056 ( 0.000 0.000 0.000) 0.000 15.671 ( 0.000 0.000 0.000) 0.000 15.905 ( 0.000 0.000 0.000) 0.000 16.188 ( 0.000 0.000 0.000) 0.000 16.341 ( 0.000 0.000 0.000) 0.000 16.885 ( 0.000 0.000 0.000) 0.000 17.229 ( 0.000 0.000 0.000) 0.000 18.188 ( 0.000 0.000 0.000) 0.000 18.469 ( 0.000 0.000 0.000) 0.000 18.694 ( 0.000 0.000 0.000) 0.000 18.907 ( 0.000 0.000 0.000) 0.000 19.456 ( 0.000 0.000 0.000) 0.000 19.546 ( 0.000 0.000 0.000) 0.000 19.747 ( 0.000 0.000 0.000) 0.000 19.919 ( 0.000 0.000 0.000) 0.000 20.686 ( 0.000 0.000 0.000) 0.000 21.597 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/120) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( 35.418 0.000 0.000) 35.418 0.938 ( 43.667 0.000 0.000) 43.667 1.267 ( 56.267 0.000 0.000) 56.267 3.001 ( 2.819 0.000 0.000) 2.819 3.428 ( 1.119 0.000 0.000) 1.119 3.505 ( 1.895 0.000 0.000) 1.895 3.784 ( -1.840 0.000 0.000) 1.840 3.981 ( -1.761 0.000 0.000) 1.761 4.180 ( -4.698 0.000 0.000) 4.698 4.345 ( -1.900 0.000 0.000) 1.900 4.733 ( -8.296 0.000 0.000) 8.296 4.937 ( -13.846 0.000 0.000) 13.846 6.242 ( 5.098 0.000 0.000) 5.098 6.467 ( 11.029 0.000 0.000) 11.029 7.088 ( 4.253 0.000 0.000) 4.253 7.915 ( 7.973 0.000 0.000) 7.973 8.168 ( -3.420 0.000 0.000) 3.420 8.260 ( 21.681 0.000 0.000) 21.681 8.355 ( 2.862 0.000 0.000) 2.862 9.072 ( -1.332 0.000 0.000) 1.332 10.100 ( -16.200 0.000 0.000) 16.200 10.217 ( -9.420 0.000 0.000) 9.420 10.619 ( 8.377 0.000 0.000) 8.377 10.662 ( 1.220 0.000 0.000) 1.220 10.866 ( -5.833 0.000 0.000) 5.833 11.239 ( -12.400 0.000 0.000) 12.400 11.311 ( -9.854 0.000 0.000) 9.854 11.479 ( 5.087 0.000 0.000) 5.087 11.811 ( -4.558 0.000 0.000) 4.558 12.273 ( 5.763 0.000 0.000) 5.763 12.545 ( 9.520 0.000 0.000) 9.520 12.860 ( 10.239 0.000 0.000) 10.239 12.967 ( 6.664 0.000 0.000) 6.664 12.980 ( -0.514 0.000 0.000) 0.514 13.245 ( 1.010 0.000 0.000) 1.010 13.346 ( 4.891 0.000 0.000) 4.891 14.108 ( 1.757 0.000 0.000) 1.757 14.186 ( -3.785 0.000 0.000) 3.785 14.268 ( 18.348 0.000 0.000) 18.348 14.501 ( -1.174 0.000 0.000) 1.174 14.503 ( 6.639 0.000 0.000) 6.639 14.537 ( 0.969 0.000 0.000) 0.969 14.967 ( -6.370 0.000 0.000) 6.370 15.652 ( -1.845 0.000 0.000) 1.845 15.985 ( -10.560 0.000 0.000) 10.560 16.128 ( 18.449 0.000 0.000) 18.449 16.279 ( 4.287 0.000 0.000) 4.287 16.401 ( -29.881 0.000 0.000) 29.881 17.626 ( 21.985 0.000 0.000) 21.985 17.920 ( 2.128 0.000 0.000) 2.128 17.946 ( -20.512 0.000 0.000) 20.512 18.423 ( -5.378 0.000 0.000) 5.378 18.884 ( -1.385 0.000 0.000) 1.385 19.429 ( -10.907 0.000 0.000) 10.907 19.439 ( -1.603 0.000 0.000) 1.603 19.646 ( -9.489 0.000 0.000) 9.489 20.139 ( 18.276 0.000 0.000) 18.276 20.740 ( 4.922 0.000 0.000) 4.922 21.607 ( 0.874 0.000 0.000) 0.874 21.924 ( -2.972 0.000 0.000) 2.972 ======================= Grid point 2 (3/120) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 32.392 0.000 0.000) 32.392 1.794 ( 37.601 0.000 0.000) 37.601 2.252 ( 36.255 0.000 0.000) 36.255 3.077 ( 4.071 0.000 0.000) 4.071 3.445 ( -1.039 0.000 0.000) 1.039 3.561 ( 3.272 0.000 0.000) 3.272 3.777 ( 3.239 0.000 0.000) 3.239 3.931 ( -2.813 0.000 0.000) 2.813 4.051 ( -7.160 0.000 0.000) 7.160 4.286 ( -3.841 0.000 0.000) 3.841 4.495 ( -13.852 0.000 0.000) 13.852 4.578 ( -18.901 0.000 0.000) 18.901 6.392 ( 9.252 0.000 0.000) 9.252 6.790 ( 19.274 0.000 0.000) 19.274 7.198 ( 5.547 0.000 0.000) 5.547 8.120 ( -0.317 0.000 0.000) 0.317 8.126 ( 11.014 0.000 0.000) 11.014 8.436 ( 5.055 0.000 0.000) 5.055 8.862 ( 34.680 0.000 0.000) 34.680 9.051 ( -0.262 0.000 0.000) 0.262 9.666 ( -23.872 0.000 0.000) 23.872 10.028 ( -8.573 0.000 0.000) 8.573 10.681 ( -11.996 0.000 0.000) 11.996 10.713 ( -3.794 0.000 0.000) 3.794 10.722 ( 4.631 0.000 0.000) 4.631 10.992 ( -5.091 0.000 0.000) 5.091 11.057 ( -13.637 0.000 0.000) 13.637 11.554 ( 0.808 0.000 0.000) 0.808 11.684 ( -7.496 0.000 0.000) 7.496 12.302 ( -6.101 0.000 0.000) 6.101 12.820 ( 16.081 0.000 0.000) 16.081 13.037 ( 8.042 0.000 0.000) 8.042 13.083 ( 9.178 0.000 0.000) 9.178 13.182 ( 13.677 0.000 0.000) 13.677 13.269 ( 1.177 0.000 0.000) 1.177 13.542 ( 14.686 0.000 0.000) 14.686 13.998 ( -13.018 0.000 0.000) 13.018 14.026 ( -8.761 0.000 0.000) 8.761 14.506 ( 2.346 0.000 0.000) 2.346 14.653 ( 8.978 0.000 0.000) 8.978 14.704 ( 20.197 0.000 0.000) 20.197 14.845 ( -5.006 0.000 0.000) 5.006 14.850 ( 25.675 0.000 0.000) 25.675 15.599 ( -2.745 0.000 0.000) 2.745 15.719 ( -14.904 0.000 0.000) 14.904 15.748 ( -31.182 0.000 0.000) 31.182 16.393 ( 8.428 0.000 0.000) 8.428 16.608 ( 25.477 0.000 0.000) 25.477 17.438 ( -26.552 0.000 0.000) 26.552 17.989 ( 4.414 0.000 0.000) 4.414 18.016 ( 14.837 0.000 0.000) 14.837 18.198 ( -16.651 0.000 0.000) 16.651 18.892 ( 2.499 0.000 0.000) 2.499 19.110 ( -19.248 0.000 0.000) 19.248 19.362 ( -17.355 0.000 0.000) 17.355 19.390 ( -3.089 0.000 0.000) 3.089 20.572 ( 21.469 0.000 0.000) 21.469 20.878 ( 8.043 0.000 0.000) 8.043 21.623 ( 0.333 0.000 0.000) 0.333 21.833 ( -5.674 0.000 0.000) 5.674 ======================= Grid point 3 (4/120) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.093 ( 27.652 0.000 0.000) 27.652 2.478 ( 27.455 0.000 0.000) 27.455 2.786 ( 17.097 0.000 0.000) 17.097 3.149 ( 2.136 0.000 0.000) 2.136 3.337 ( -8.437 0.000 0.000) 8.437 3.614 ( 0.201 0.000 0.000) 0.201 3.880 ( -1.224 0.000 0.000) 1.224 3.908 ( -5.770 0.000 0.000) 5.770 3.924 ( 7.821 0.000 0.000) 7.821 4.187 ( -5.529 0.000 0.000) 5.529 4.203 ( -12.419 0.000 0.000) 12.419 4.204 ( -16.001 0.000 0.000) 16.001 6.630 ( 13.604 0.000 0.000) 13.604 7.241 ( 23.080 0.000 0.000) 23.080 7.281 ( 1.336 0.000 0.000) 1.336 8.153 ( 1.578 0.000 0.000) 1.578 8.337 ( 8.907 0.000 0.000) 8.907 8.583 ( 10.075 0.000 0.000) 10.075 9.066 ( 1.406 0.000 0.000) 1.406 9.160 ( -23.322 0.000 0.000) 23.322 9.649 ( 39.287 0.000 0.000) 39.287 9.866 ( -6.628 0.000 0.000) 6.628 10.367 ( -17.780 0.000 0.000) 17.780 10.493 ( -10.686 0.000 0.000) 10.686 10.768 ( -13.559 0.000 0.000) 13.559 10.856 ( 8.153 0.000 0.000) 8.153 11.077 ( 8.760 0.000 0.000) 8.760 11.464 ( -10.444 0.000 0.000) 10.444 11.503 ( -9.727 0.000 0.000) 9.727 12.025 ( -18.062 0.000 0.000) 18.062 13.175 ( 16.904 0.000 0.000) 16.904 13.228 ( 5.415 0.000 0.000) 5.415 13.297 ( 1.806 0.000 0.000) 1.806 13.298 ( 14.661 0.000 0.000) 14.661 13.527 ( 19.222 0.000 0.000) 19.222 13.716 ( -12.516 0.000 0.000) 12.516 13.798 ( -11.402 0.000 0.000) 11.402 13.933 ( 20.599 0.000 0.000) 20.599 14.581 ( 3.121 0.000 0.000) 3.121 14.778 ( -0.227 0.000 0.000) 0.227 14.810 ( 2.891 0.000 0.000) 2.891 14.982 ( 4.313 0.000 0.000) 4.313 15.117 ( -28.587 0.000 0.000) 28.587 15.379 ( -16.623 0.000 0.000) 16.623 15.504 ( 35.523 0.000 0.000) 35.523 15.596 ( 4.894 0.000 0.000) 4.894 16.708 ( 22.560 0.000 0.000) 22.560 16.878 ( -26.449 0.000 0.000) 26.449 17.163 ( 26.996 0.000 0.000) 26.996 17.737 ( -27.111 0.000 0.000) 27.111 18.095 ( 5.275 0.000 0.000) 5.275 18.236 ( 6.018 0.000 0.000) 6.018 18.642 ( -24.859 0.000 0.000) 24.859 18.941 ( -22.395 0.000 0.000) 22.395 18.976 ( 5.150 0.000 0.000) 5.150 19.311 ( -4.372 0.000 0.000) 4.372 20.991 ( 18.103 0.000 0.000) 18.103 21.068 ( 9.996 0.000 0.000) 9.996 21.606 ( -2.296 0.000 0.000) 2.296 21.689 ( -8.021 0.000 0.000) 8.021 ======================= Grid point 4 (5/120) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.607 ( 21.336 0.000 0.000) 21.336 2.926 ( 15.426 0.000 0.000) 15.426 2.947 ( -7.609 0.000 0.000) 7.609 3.132 ( -4.701 0.000 0.000) 4.701 3.242 ( 6.805 0.000 0.000) 6.805 3.486 ( -11.795 0.000 0.000) 11.795 3.845 ( 0.391 0.000 0.000) 0.391 3.923 ( 5.012 0.000 0.000) 5.012 3.940 ( -8.810 0.000 0.000) 8.810 4.012 ( 0.145 0.000 0.000) 0.145 4.046 ( -2.543 0.000 0.000) 2.543 4.064 ( -5.352 0.000 0.000) 5.352 6.943 ( 15.384 0.000 0.000) 15.384 7.210 ( -8.686 0.000 0.000) 8.686 7.713 ( 21.099 0.000 0.000) 21.099 8.066 ( -11.234 0.000 0.000) 11.234 8.511 ( 8.567 0.000 0.000) 8.567 8.748 ( -15.338 0.000 0.000) 15.338 8.872 ( 15.239 0.000 0.000) 15.239 9.071 ( -2.824 0.000 0.000) 2.824 9.789 ( 1.082 0.000 0.000) 1.082 9.983 ( -16.699 0.000 0.000) 16.699 10.386 ( 1.020 0.000 0.000) 1.020 10.445 ( 35.816 0.000 0.000) 35.816 10.514 ( -10.142 0.000 0.000) 10.142 11.054 ( 10.102 0.000 0.000) 10.102 11.093 ( -24.628 0.000 0.000) 24.628 11.284 ( -11.040 0.000 0.000) 11.040 11.306 ( 13.291 0.000 0.000) 13.291 11.634 ( -17.980 0.000 0.000) 17.980 13.330 ( 4.421 0.000 0.000) 4.421 13.354 ( 3.170 0.000 0.000) 3.170 13.474 ( 10.300 0.000 0.000) 10.300 13.516 ( -5.634 0.000 0.000) 5.634 13.536 ( 5.402 0.000 0.000) 5.402 13.571 ( -9.086 0.000 0.000) 9.086 13.974 ( 23.352 0.000 0.000) 23.352 14.364 ( 19.442 0.000 0.000) 19.442 14.484 ( -23.482 0.000 0.000) 23.482 14.666 ( 2.802 0.000 0.000) 2.802 14.705 ( -12.093 0.000 0.000) 12.093 14.868 ( -12.496 0.000 0.000) 12.496 14.912 ( 8.011 0.000 0.000) 8.011 15.101 ( -9.780 0.000 0.000) 9.780 15.851 ( 18.306 0.000 0.000) 18.306 16.196 ( 9.945 0.000 0.000) 9.945 16.433 ( 3.845 0.000 0.000) 3.845 17.088 ( -34.385 0.000 0.000) 34.385 17.284 ( 30.095 0.000 0.000) 30.095 17.659 ( 12.658 0.000 0.000) 12.658 18.091 ( -16.176 0.000 0.000) 16.176 18.169 ( -0.952 0.000 0.000) 0.952 18.333 ( -0.137 0.000 0.000) 0.137 18.473 ( -19.212 0.000 0.000) 19.212 19.092 ( 5.760 0.000 0.000) 5.760 19.209 ( -5.337 0.000 0.000) 5.337 21.286 ( 10.636 0.000 0.000) 10.636 21.312 ( 12.555 0.000 0.000) 12.555 21.502 ( -9.830 0.000 0.000) 9.830 21.514 ( -6.854 0.000 0.000) 6.854 ======================= Grid point 9 (6/120) ======================= q-point: ( 0.00 0.14 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 0.000 39.944 0.000) 39.944 0.861 ( 0.000 43.111 0.000) 43.111 1.298 ( 0.000 64.413 0.000) 64.413 2.992 ( 0.000 1.333 0.000) 1.333 3.359 ( 0.000 -6.050 0.000) 6.050 3.450 ( 0.000 -2.806 0.000) 2.806 3.778 ( 0.000 0.203 0.000) 0.203 4.040 ( 0.000 3.815 0.000) 3.815 4.183 ( 0.000 -4.617 0.000) 4.617 4.338 ( 0.000 -2.579 0.000) 2.579 4.781 ( 0.000 -4.102 0.000) 4.102 5.026 ( 0.000 -6.791 0.000) 6.791 6.386 ( 0.000 3.737 0.000) 3.737 7.016 ( 0.000 -2.623 0.000) 2.623 7.039 ( 0.000 1.696 0.000) 1.696 7.770 ( 0.000 -5.403 0.000) 5.403 8.023 ( 0.000 -3.636 0.000) 3.636 8.041 ( 0.000 2.278 0.000) 2.278 8.319 ( 0.000 8.144 0.000) 8.144 9.124 ( 0.000 3.902 0.000) 3.902 10.110 ( 0.000 -14.525 0.000) 14.525 10.390 ( 0.000 10.261 0.000) 10.261 10.494 ( 0.000 4.413 0.000) 4.413 10.756 ( 0.000 -17.051 0.000) 17.051 10.777 ( 0.000 12.419 0.000) 12.419 11.054 ( 0.000 -13.628 0.000) 13.628 11.160 ( 0.000 -8.867 0.000) 8.867 11.730 ( 0.000 14.189 0.000) 14.189 12.103 ( 0.000 17.612 0.000) 17.612 12.199 ( 0.000 0.933 0.000) 0.933 12.453 ( 0.000 1.013 0.000) 1.013 12.806 ( 0.000 1.046 0.000) 1.046 12.813 ( 0.000 -0.374 0.000) 0.374 12.960 ( 0.000 -3.114 0.000) 3.114 13.252 ( 0.000 0.114 0.000) 0.114 13.291 ( 0.000 5.675 0.000) 5.675 13.939 ( 0.000 -9.488 0.000) 9.488 14.092 ( 0.000 3.302 0.000) 3.302 14.153 ( 0.000 -5.872 0.000) 5.872 14.302 ( 0.000 4.199 0.000) 4.199 14.459 ( 0.000 -5.819 0.000) 5.819 14.471 ( 0.000 -7.564 0.000) 7.564 15.167 ( 0.000 11.923 0.000) 11.923 15.759 ( 0.000 8.618 0.000) 8.618 15.966 ( 0.000 5.706 0.000) 5.706 16.156 ( 0.000 -2.982 0.000) 2.982 16.303 ( 0.000 -3.700 0.000) 3.700 16.846 ( 0.000 -3.698 0.000) 3.698 17.161 ( 0.000 -6.819 0.000) 6.819 17.814 ( 0.000 6.130 0.000) 6.130 18.271 ( 0.000 2.607 0.000) 2.607 18.335 ( 0.000 -18.501 0.000) 18.501 18.669 ( 0.000 -2.558 0.000) 2.558 18.785 ( 0.000 -4.906 0.000) 4.906 19.324 ( 0.000 -23.615 0.000) 23.615 19.493 ( 0.000 -5.245 0.000) 5.245 20.387 ( 0.000 28.202 0.000) 28.202 20.870 ( 0.000 15.929 0.000) 15.929 21.615 ( 0.000 1.584 0.000) 1.584 22.418 ( 0.000 -7.210 0.000) 7.210 ======================= Grid point 10 (7/120) ======================= q-point: ( 0.11 0.14 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 24.268 22.805 0.000) 33.301 1.076 ( 22.846 27.506 0.000) 35.757 1.912 ( 40.557 45.393 0.000) 60.872 3.010 ( 1.658 0.196 0.000) 1.669 3.354 ( 0.650 -6.710 0.000) 6.742 3.471 ( 1.894 -2.881 0.000) 3.448 3.771 ( -1.636 -0.970 0.000) 1.902 4.016 ( -2.422 2.842 0.000) 3.734 4.133 ( -4.486 -4.057 0.000) 6.049 4.315 ( -2.092 -2.737 0.000) 3.446 4.701 ( -7.443 -3.233 0.000) 8.115 4.891 ( -12.125 -4.932 0.000) 13.090 6.500 ( 10.673 3.366 0.000) 11.191 6.710 ( -11.448 30.972 0.000) 33.020 7.068 ( 4.761 -2.139 0.000) 5.219 7.817 ( 5.320 -7.064 0.000) 8.843 8.072 ( 10.214 -8.468 0.000) 13.267 8.237 ( 6.159 -5.176 0.000) 8.045 8.354 ( 9.124 5.985 0.000) 10.912 9.108 ( -1.319 3.975 0.000) 4.189 10.082 ( -4.725 -13.474 0.000) 14.279 10.148 ( -19.027 2.604 0.000) 19.205 10.580 ( 5.318 -2.637 0.000) 5.936 10.751 ( -0.095 7.307 0.000) 7.308 10.812 ( -0.878 -1.934 0.000) 2.124 10.990 ( -5.980 -12.924 0.000) 14.241 11.160 ( -0.859 -8.731 0.000) 8.773 11.634 ( -6.036 8.927 0.000) 10.776 12.115 ( -6.235 19.489 0.000) 20.462 12.311 ( 7.509 3.991 0.000) 8.504 12.544 ( 10.413 0.372 0.000) 10.419 12.863 ( 5.128 -5.566 0.000) 7.568 12.929 ( 11.585 4.570 0.000) 12.454 12.947 ( -1.013 -3.292 0.000) 3.445 13.307 ( 1.414 5.955 0.000) 6.121 13.437 ( 10.447 4.834 0.000) 11.511 13.961 ( 0.614 -11.889 0.000) 11.905 14.148 ( -2.526 -4.506 0.000) 5.166 14.300 ( 18.761 2.754 0.000) 18.962 14.374 ( -4.411 -10.088 0.000) 11.011 14.475 ( 13.235 0.020 0.000) 13.235 14.490 ( 0.850 -5.323 0.000) 5.391 15.140 ( -1.637 16.218 0.000) 16.300 15.669 ( -5.194 2.219 0.000) 5.648 16.072 ( -14.527 3.852 0.000) 15.029 16.173 ( 9.792 2.151 0.000) 10.025 16.229 ( 3.515 -4.696 0.000) 5.866 16.406 ( -20.525 2.531 0.000) 20.681 17.557 ( 21.727 -7.038 0.000) 22.838 17.840 ( -5.686 -0.414 0.000) 5.701 18.085 ( -10.364 7.332 0.000) 12.696 18.340 ( -0.221 -14.540 0.000) 14.541 18.708 ( -6.599 -8.893 0.000) 11.074 18.915 ( 11.330 -27.893 0.000) 30.106 19.344 ( -1.104 -20.939 0.000) 20.968 19.382 ( -10.386 -4.847 0.000) 11.462 20.484 ( 9.674 25.377 0.000) 27.158 20.917 ( 4.354 15.412 0.000) 16.016 21.627 ( 1.037 1.750 0.000) 2.035 22.172 ( -13.193 8.072 0.000) 15.466 ======================= Grid point 11 (8/120) ======================= q-point: ( 0.22 0.14 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 27.066 14.522 0.000) 30.715 1.665 ( 32.260 -1.346 0.000) 32.288 2.663 ( 27.736 29.554 0.000) 40.530 3.058 ( 2.765 -2.221 0.000) 3.547 3.395 ( 2.109 -5.323 0.000) 5.725 3.524 ( 2.948 -3.368 0.000) 4.476 3.728 ( -0.885 -4.413 0.000) 4.501 3.926 ( -6.454 -3.321 0.000) 7.258 4.029 ( -4.600 0.840 0.000) 4.676 4.252 ( -3.961 -2.745 0.000) 4.819 4.489 ( -12.239 -0.900 0.000) 12.272 4.580 ( -16.057 -0.351 0.000) 16.061 6.652 ( 3.515 23.897 0.000) 24.154 6.812 ( 18.550 2.279 0.000) 18.690 7.196 ( 6.790 -0.485 0.000) 6.808 7.988 ( 9.521 -8.108 0.000) 12.505 8.177 ( 3.976 1.062 0.000) 4.116 8.390 ( 7.530 -3.686 0.000) 8.384 8.819 ( 31.640 -3.998 0.000) 31.892 9.077 ( -1.623 2.788 0.000) 3.226 9.690 ( -23.634 0.996 0.000) 23.655 9.963 ( -5.463 -7.657 0.000) 9.406 10.605 ( -5.215 -8.615 0.000) 10.071 10.684 ( -10.322 2.926 0.000) 10.729 10.772 ( 1.493 3.743 0.000) 4.030 10.899 ( 0.552 -5.793 0.000) 5.819 11.063 ( -8.196 0.328 0.000) 8.203 11.564 ( -1.384 0.865 0.000) 1.632 11.923 ( -10.319 18.849 0.000) 21.489 12.355 ( -6.410 5.471 0.000) 8.427 12.828 ( 15.370 0.911 0.000) 15.397 12.978 ( 5.728 -5.012 0.000) 7.611 13.038 ( 11.682 -9.870 0.000) 15.293 13.181 ( 10.347 8.515 0.000) 13.401 13.349 ( 2.842 7.068 0.000) 7.618 13.679 ( 13.102 7.602 0.000) 15.148 13.926 ( -2.453 -6.955 0.000) 7.375 13.974 ( -12.342 -2.588 0.000) 12.610 14.353 ( 1.335 -13.039 0.000) 13.107 14.537 ( 3.689 -6.147 0.000) 7.169 14.780 ( 21.660 5.830 0.000) 22.431 14.848 ( 25.158 -0.128 0.000) 25.158 15.140 ( 1.754 21.752 0.000) 21.823 15.523 ( -12.034 -4.208 0.000) 12.749 15.730 ( -17.935 1.067 0.000) 17.966 15.794 ( -20.307 1.111 0.000) 20.338 16.332 ( 7.438 -5.864 0.000) 9.471 16.663 ( 22.894 6.234 0.000) 23.728 17.474 ( -23.458 3.679 0.000) 23.745 17.938 ( 13.611 -7.489 0.000) 15.536 18.042 ( 2.304 5.195 0.000) 5.683 18.230 ( -12.602 1.321 0.000) 12.671 18.606 ( -0.465 -24.141 0.000) 24.146 19.017 ( -1.059 -29.269 0.000) 29.288 19.076 ( -18.508 -4.426 0.000) 19.030 19.213 ( -10.425 -14.538 0.000) 17.890 20.770 ( 16.353 17.691 0.000) 24.091 21.041 ( 7.270 14.258 0.000) 16.005 21.649 ( 0.693 2.284 0.000) 2.387 21.958 ( -8.412 8.030 0.000) 11.630 ======================= Grid point 12 (9/120) ======================= q-point: ( 0.33 0.14 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( 24.576 6.749 0.000) 25.486 2.281 ( 25.804 -9.774 0.000) 27.593 3.053 ( 11.694 16.310 0.000) 20.069 3.111 ( 1.753 -3.775 0.000) 4.162 3.346 ( -6.500 1.206 0.000) 6.611 3.569 ( 0.321 -4.529 0.000) 4.540 3.759 ( 0.832 -14.289 0.000) 14.313 3.775 ( -6.900 -8.356 0.000) 10.837 3.950 ( -2.837 3.529 0.000) 4.527 4.159 ( -4.605 -1.039 0.000) 4.720 4.238 ( -10.221 2.272 0.000) 10.470 4.286 ( -10.906 4.733 0.000) 11.889 6.811 ( 11.113 17.498 0.000) 20.729 7.236 ( 19.310 0.347 0.000) 19.314 7.324 ( 6.364 3.102 0.000) 7.080 8.146 ( 2.842 -0.890 0.000) 2.978 8.298 ( 7.834 -3.124 0.000) 8.434 8.591 ( 13.064 1.213 0.000) 13.120 9.009 ( -8.239 -2.724 0.000) 8.678 9.241 ( -14.980 4.419 0.000) 15.618 9.474 ( 23.473 -13.301 0.000) 26.980 9.950 ( 10.698 3.665 0.000) 11.308 10.387 ( -17.681 3.311 0.000) 17.988 10.444 ( -6.798 -3.710 0.000) 7.744 10.742 ( -7.941 -0.130 0.000) 7.942 10.957 ( 2.424 6.847 0.000) 7.264 10.993 ( 6.623 -6.639 0.000) 9.378 11.480 ( -8.840 1.118 0.000) 8.910 11.712 ( -9.630 17.618 0.000) 20.078 12.067 ( -18.437 4.572 0.000) 18.996 13.107 ( 9.669 -5.746 0.000) 11.248 13.124 ( 5.383 -9.888 0.000) 11.258 13.328 ( 8.987 1.269 0.000) 9.077 13.388 ( 17.286 -0.442 0.000) 17.292 13.438 ( 4.631 6.742 0.000) 8.179 13.733 ( -4.551 -6.970 0.000) 8.324 13.749 ( -6.052 2.822 0.000) 6.677 14.144 ( 20.175 15.422 0.000) 25.394 14.375 ( 0.481 -15.135 0.000) 15.142 14.622 ( 2.683 -7.117 0.000) 7.606 15.030 ( -18.685 2.091 0.000) 18.802 15.047 ( 3.223 5.835 0.000) 6.666 15.219 ( -7.245 16.908 0.000) 18.395 15.308 ( -14.837 -6.135 0.000) 16.055 15.546 ( 32.485 3.951 0.000) 32.724 15.660 ( 5.809 5.839 0.000) 8.237 16.589 ( 14.239 -8.238 0.000) 16.451 17.004 ( -16.701 8.938 0.000) 18.942 17.171 ( 25.102 1.338 0.000) 25.137 17.762 ( -26.434 2.320 0.000) 26.535 18.105 ( 3.053 1.120 0.000) 3.252 18.187 ( 5.842 -4.715 0.000) 7.507 18.554 ( -18.413 -11.410 0.000) 21.661 18.738 ( -0.926 -19.427 0.000) 19.449 18.803 ( -18.168 -14.561 0.000) 23.283 19.055 ( -4.405 -21.551 0.000) 21.997 21.111 ( 15.423 11.425 0.000) 19.194 21.212 ( 8.991 12.652 0.000) 15.522 21.642 ( -1.659 3.295 0.000) 3.689 21.788 ( -8.263 7.682 0.000) 11.283 ======================= Grid point 13 (10/120) ======================= q-point: ( 0.44 0.14 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.614 ( 17.780 0.635 0.000) 17.791 2.709 ( 13.063 -10.632 0.000) 16.843 3.079 ( -7.976 4.620 0.000) 9.217 3.089 ( -4.659 -3.054 0.000) 5.571 3.339 ( 7.865 7.399 0.000) 10.798 3.500 ( -6.353 -0.849 0.000) 6.409 3.672 ( -2.331 -11.937 0.000) 12.163 3.702 ( -4.265 -16.785 0.000) 17.318 3.945 ( 2.973 1.104 0.000) 3.171 4.049 ( -6.031 -0.776 0.000) 6.080 4.115 ( -1.508 4.272 0.000) 4.531 4.142 ( -3.524 5.757 0.000) 6.750 7.078 ( 13.139 13.022 0.000) 18.499 7.290 ( -5.728 7.484 0.000) 9.425 7.706 ( 20.172 -0.613 0.000) 20.181 8.050 ( -11.506 -1.579 0.000) 11.614 8.474 ( 8.833 -2.888 0.000) 9.293 8.709 ( -14.537 -2.887 0.000) 14.821 8.922 ( 15.474 4.247 0.000) 16.046 9.114 ( -3.723 2.563 0.000) 4.520 9.684 ( 7.289 -8.248 0.000) 11.007 9.980 ( -19.623 1.336 0.000) 19.668 10.394 ( 3.067 1.529 0.000) 3.427 10.515 ( 33.059 4.365 0.000) 33.346 10.534 ( -9.615 2.233 0.000) 9.871 11.076 ( 4.952 0.642 0.000) 4.993 11.124 ( 3.925 -7.866 0.000) 8.791 11.141 ( -22.606 4.169 0.000) 22.987 11.560 ( -2.634 16.558 0.000) 16.766 11.697 ( -14.604 6.979 0.000) 16.186 13.191 ( 2.240 -14.930 0.000) 15.097 13.216 ( 1.111 -14.406 0.000) 14.448 13.411 ( 0.999 5.711 0.000) 5.798 13.443 ( -2.346 3.994 0.000) 4.631 13.717 ( 3.633 3.158 0.000) 4.814 13.763 ( 1.786 8.746 0.000) 8.926 13.851 ( 24.109 -6.404 0.000) 24.944 14.349 ( -19.062 -9.628 0.000) 21.356 14.465 ( 3.561 -8.687 0.000) 9.389 14.546 ( 13.778 14.772 0.000) 20.200 14.851 ( -12.688 -3.061 0.000) 13.052 14.915 ( 6.425 0.607 0.000) 6.454 14.999 ( -13.614 14.955 0.000) 20.224 15.081 ( -7.339 -0.494 0.000) 7.356 15.944 ( 18.704 9.543 0.000) 20.998 16.277 ( 17.903 7.510 0.000) 19.414 16.444 ( -1.057 1.798 0.000) 2.085 17.115 ( -34.652 2.713 0.000) 34.758 17.274 ( 29.208 -1.326 0.000) 29.238 17.654 ( 15.074 -0.508 0.000) 15.082 18.009 ( -20.641 -7.858 0.000) 22.087 18.115 ( -5.615 -5.515 0.000) 7.871 18.290 ( 1.366 -4.162 0.000) 4.381 18.411 ( -14.921 -5.674 0.000) 15.963 18.838 ( 6.100 -23.784 0.000) 24.554 18.958 ( -5.206 -23.191 0.000) 23.769 21.389 ( 10.848 7.407 0.000) 13.136 21.407 ( 9.428 10.569 0.000) 14.163 21.567 ( -5.678 5.046 0.000) 7.596 21.608 ( -9.024 8.872 0.000) 12.655 ======================= Grid point 18 (11/120) ======================= q-point: ( 0.00 0.29 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 0.000 35.664 0.000) 35.664 1.657 ( 0.000 38.105 0.000) 38.105 2.459 ( 0.000 53.373 0.000) 53.373 2.946 ( 0.000 -8.315 0.000) 8.315 3.176 ( 0.000 -12.721 0.000) 12.721 3.442 ( 0.000 3.834 0.000) 3.834 3.777 ( 0.000 -0.680 0.000) 0.680 4.021 ( 0.000 -8.527 0.000) 8.527 4.177 ( 0.000 6.725 0.000) 6.725 4.282 ( 0.000 -2.472 0.000) 2.472 4.670 ( 0.000 -7.148 0.000) 7.148 4.827 ( 0.000 -13.704 0.000) 13.704 6.491 ( 0.000 6.780 0.000) 6.780 6.936 ( 0.000 -5.604 0.000) 5.604 7.098 ( 0.000 4.498 0.000) 4.498 7.617 ( 0.000 -10.029 0.000) 10.029 7.999 ( 0.000 1.770 0.000) 1.770 8.092 ( 0.000 2.469 0.000) 2.469 8.499 ( 0.000 10.368 0.000) 10.368 9.256 ( 0.000 10.080 0.000) 10.080 9.689 ( 0.000 -26.743 0.000) 26.743 10.347 ( 0.000 -23.052 0.000) 23.052 10.600 ( 0.000 5.921 0.000) 5.921 10.611 ( 0.000 10.883 0.000) 10.883 10.867 ( 0.000 -5.858 0.000) 5.858 11.027 ( 0.000 -5.849 0.000) 5.849 11.133 ( 0.000 23.281 0.000) 23.281 11.931 ( 0.000 5.575 0.000) 5.575 12.250 ( 0.000 4.821 0.000) 4.821 12.406 ( 0.000 11.785 0.000) 11.785 12.482 ( 0.000 1.881 0.000) 1.881 12.816 ( 0.000 1.152 0.000) 1.152 12.834 ( 0.000 1.802 0.000) 1.802 12.861 ( 0.000 -7.545 0.000) 7.545 13.263 ( 0.000 1.422 0.000) 1.422 13.439 ( 0.000 9.026 0.000) 9.026 13.731 ( 0.000 -11.438 0.000) 11.438 13.979 ( 0.000 -10.946 0.000) 10.946 14.178 ( 0.000 5.201 0.000) 5.201 14.294 ( 0.000 -9.517 0.000) 9.517 14.313 ( 0.000 -8.485 0.000) 8.485 14.359 ( 0.000 1.335 0.000) 1.335 15.528 ( 0.000 24.611 0.000) 24.611 15.980 ( 0.000 13.373 0.000) 13.373 16.094 ( 0.000 -2.811 0.000) 2.811 16.097 ( 0.000 7.052 0.000) 7.052 16.210 ( 0.000 -5.455 0.000) 5.455 16.761 ( 0.000 -4.278 0.000) 4.278 16.971 ( 0.000 -12.522 0.000) 12.522 17.763 ( 0.000 -35.768 0.000) 35.768 17.977 ( 0.000 10.203 0.000) 10.203 18.344 ( 0.000 4.782 0.000) 4.782 18.593 ( 0.000 -5.440 0.000) 5.440 18.818 ( 0.000 6.169 0.000) 6.169 18.907 ( 0.000 -18.874 0.000) 18.874 19.354 ( 0.000 -8.699 0.000) 8.699 20.934 ( 0.000 27.503 0.000) 27.503 21.199 ( 0.000 16.156 0.000) 16.156 21.639 ( 0.000 0.277 0.000) 0.277 22.210 ( 0.000 -13.992 0.000) 13.992 ======================= Grid point 19 (12/120) ======================= q-point: ( 0.11 0.29 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( 3.265 35.150 0.000) 35.301 1.664 ( 11.490 30.807 0.000) 32.880 2.782 ( 23.867 41.019 0.000) 47.457 2.951 ( 0.540 -8.004 0.000) 8.023 3.163 ( -0.526 -13.331 0.000) 13.341 3.447 ( 0.511 2.100 0.000) 2.161 3.748 ( -3.069 -1.588 0.000) 3.456 3.955 ( -6.074 -8.746 0.000) 10.648 4.161 ( -1.552 6.662 0.000) 6.840 4.262 ( -1.725 -1.819 0.000) 2.507 4.611 ( -5.552 -5.996 0.000) 8.172 4.744 ( -7.414 -10.035 0.000) 12.477 6.595 ( 9.749 6.173 0.000) 11.539 7.000 ( 5.909 -4.931 0.000) 7.696 7.160 ( 4.247 15.120 0.000) 15.705 7.760 ( 3.314 -0.268 0.000) 3.324 7.889 ( 7.050 -6.491 0.000) 9.583 8.177 ( 3.385 -1.887 0.000) 3.875 8.501 ( 3.922 9.163 0.000) 9.967 9.236 ( -2.046 9.332 0.000) 9.554 9.684 ( -0.749 -26.082 0.000) 26.092 10.075 ( -18.877 -11.097 0.000) 21.898 10.576 ( -1.971 2.442 0.000) 3.138 10.761 ( 6.454 2.004 0.000) 6.758 10.829 ( -3.043 -5.212 0.000) 6.035 11.010 ( -1.741 -3.763 0.000) 4.146 11.084 ( -3.425 18.482 0.000) 18.797 11.761 ( -10.891 3.821 0.000) 11.542 12.419 ( 10.391 6.495 0.000) 12.254 12.435 ( -3.579 11.552 0.000) 12.094 12.570 ( 11.211 2.503 0.000) 11.487 12.791 ( 0.443 -0.102 0.000) 0.455 12.856 ( -0.772 -6.059 0.000) 6.108 13.024 ( 14.866 4.126 0.000) 15.428 13.457 ( 1.673 8.953 0.000) 9.108 13.485 ( 17.458 0.524 0.000) 17.466 13.724 ( -0.473 -11.742 0.000) 11.752 13.998 ( 0.706 -10.270 0.000) 10.295 14.176 ( -7.438 -8.966 0.000) 11.650 14.347 ( 1.039 -8.939 0.000) 8.999 14.373 ( 17.400 4.431 0.000) 17.955 14.496 ( 13.217 1.203 0.000) 13.272 15.552 ( 1.860 23.944 0.000) 24.016 15.762 ( -11.248 8.994 0.000) 14.402 16.081 ( -10.775 -1.962 0.000) 10.953 16.123 ( 1.412 -5.423 0.000) 5.604 16.130 ( -14.290 -5.572 0.000) 15.338 16.566 ( 5.743 12.675 0.000) 13.916 17.357 ( 20.850 -13.668 0.000) 24.931 17.796 ( 3.034 -35.332 0.000) 35.462 17.913 ( -9.375 6.986 0.000) 11.692 18.220 ( -5.793 6.480 0.000) 8.692 18.549 ( -3.823 -12.271 0.000) 12.853 18.717 ( -9.700 6.098 0.000) 11.458 18.958 ( 1.706 -18.023 0.000) 18.104 19.248 ( -9.994 -8.527 0.000) 13.138 20.994 ( 5.775 26.035 0.000) 26.668 21.237 ( 3.514 15.715 0.000) 16.103 21.656 ( 1.473 0.561 0.000) 1.576 22.142 ( -5.499 -9.000 0.000) 10.547 ======================= Grid point 20 (13/120) ======================= q-point: ( 0.22 0.29 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( 15.698 19.062 0.000) 24.694 1.974 ( 17.199 20.922 0.000) 27.084 2.970 ( 1.278 -7.628 0.000) 7.734 3.122 ( 3.767 1.858 0.000) 4.201 3.280 ( 13.598 5.896 0.000) 14.821 3.464 ( 0.969 -1.634 0.000) 1.899 3.641 ( -7.159 -3.697 0.000) 8.057 3.788 ( -9.291 -8.960 0.000) 12.908 4.112 ( -3.057 6.211 0.000) 6.922 4.222 ( -1.916 0.916 0.000) 2.124 4.450 ( -9.330 -3.228 0.000) 9.872 4.550 ( -10.305 -2.943 0.000) 10.717 6.878 ( 16.813 4.461 0.000) 17.395 7.166 ( 9.463 -2.772 0.000) 9.861 7.191 ( -0.080 28.698 0.000) 28.698 7.879 ( 12.959 -1.600 0.000) 13.057 8.171 ( 6.424 -1.747 0.000) 6.657 8.289 ( 12.419 -7.499 0.000) 14.507 8.761 ( 21.306 0.076 0.000) 21.306 9.165 ( -5.055 6.250 0.000) 8.039 9.649 ( -21.068 -5.591 0.000) 21.797 9.684 ( 2.325 -20.632 0.000) 20.762 10.507 ( -4.688 -0.369 0.000) 4.703 10.778 ( -5.500 4.011 0.000) 6.807 10.791 ( 0.405 -5.709 0.000) 5.724 10.904 ( -6.167 9.695 0.000) 11.490 11.070 ( -0.088 2.354 0.000) 2.356 11.581 ( -5.429 0.452 0.000) 5.448 12.289 ( -9.243 17.489 0.000) 19.781 12.499 ( -6.500 8.431 0.000) 10.646 12.859 ( 5.380 -3.587 0.000) 6.466 12.868 ( 3.584 -5.871 0.000) 6.878 12.868 ( 16.547 -0.895 0.000) 16.571 13.339 ( 12.945 3.430 0.000) 13.392 13.509 ( 3.339 8.554 0.000) 9.182 13.657 ( -1.584 -3.416 0.000) 3.765 13.897 ( -8.983 -4.855 0.000) 10.211 13.924 ( 20.259 3.095 0.000) 20.494 14.104 ( 0.146 -11.224 0.000) 11.225 14.385 ( 2.936 -9.662 0.000) 10.098 14.849 ( 23.402 0.480 0.000) 23.407 14.871 ( 23.662 2.909 0.000) 23.840 15.453 ( -15.447 1.707 0.000) 15.541 15.645 ( -2.713 18.536 0.000) 18.734 15.765 ( -17.732 2.976 0.000) 17.980 15.775 ( -7.426 4.631 0.000) 8.752 16.188 ( 5.487 -8.453 0.000) 10.078 16.856 ( 17.230 12.976 0.000) 21.570 17.580 ( -19.454 7.221 0.000) 20.751 17.735 ( 14.490 -14.086 0.000) 20.209 17.885 ( 5.369 -34.121 0.000) 34.541 18.178 ( -0.654 8.464 0.000) 8.490 18.423 ( -17.836 5.562 0.000) 18.683 18.456 ( -4.645 -25.689 0.000) 26.106 18.904 ( -6.975 -15.972 0.000) 17.428 18.946 ( -18.718 -8.389 0.000) 20.512 21.165 ( 10.065 21.312 0.000) 23.569 21.337 ( 5.874 14.514 0.000) 15.657 21.691 ( 1.648 1.462 0.000) 2.203 22.019 ( -5.899 -2.583 0.000) 6.439 ======================= Grid point 21 (14/120) ======================= q-point: ( 0.33 0.29 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( 18.695 4.911 0.000) 19.329 2.341 ( 17.106 11.270 0.000) 20.485 3.004 ( 1.910 -7.362 0.000) 7.605 3.196 ( 4.153 -6.670 0.000) 7.857 3.406 ( -4.080 3.385 0.000) 5.302 3.461 ( -2.745 -5.349 0.000) 6.012 3.480 ( -5.147 -8.233 0.000) 9.709 3.606 ( -6.613 -8.310 0.000) 10.620 4.039 ( -3.609 5.302 0.000) 6.414 4.170 ( -3.787 2.807 0.000) 4.714 4.258 ( -7.771 -0.393 0.000) 7.781 4.350 ( -8.222 1.554 0.000) 8.368 7.247 ( 5.861 25.315 0.000) 25.985 7.261 ( 18.292 2.185 0.000) 18.422 7.371 ( 10.069 1.212 0.000) 10.141 8.116 ( 2.695 -2.404 0.000) 3.611 8.258 ( 7.463 -0.188 0.000) 7.465 8.617 ( 18.020 -0.247 0.000) 18.021 8.993 ( -12.789 1.277 0.000) 12.853 9.237 ( 19.086 -8.063 0.000) 20.719 9.265 ( -13.233 -2.345 0.000) 13.439 9.897 ( 21.370 -10.191 0.000) 23.676 10.423 ( -1.803 2.667 0.000) 3.219 10.531 ( -16.634 10.824 0.000) 19.846 10.784 ( -7.327 4.277 0.000) 8.484 10.847 ( 4.584 -8.216 0.000) 9.408 11.059 ( 0.264 3.399 0.000) 3.409 11.485 ( -6.835 -1.411 0.000) 6.979 12.087 ( -9.527 19.649 0.000) 21.837 12.207 ( -17.732 9.577 0.000) 20.153 12.917 ( -0.791 -11.290 0.000) 11.317 12.945 ( 1.785 -10.137 0.000) 10.293 13.243 ( 18.288 -2.178 0.000) 18.417 13.544 ( 6.999 -7.662 0.000) 10.377 13.565 ( 0.738 6.271 0.000) 6.314 13.645 ( 2.557 14.151 0.000) 14.380 13.818 ( 3.433 4.751 0.000) 5.862 14.103 ( 0.496 -12.365 0.000) 12.375 14.376 ( 21.926 5.520 0.000) 22.610 14.434 ( -0.645 -11.731 0.000) 11.748 15.077 ( -15.409 4.628 0.000) 16.089 15.137 ( 4.351 0.569 0.000) 4.388 15.208 ( -13.064 -1.019 0.000) 13.104 15.463 ( -10.340 2.086 0.000) 10.549 15.676 ( 28.051 10.188 0.000) 29.844 15.913 ( 12.795 23.785 0.000) 27.008 16.425 ( 17.204 -8.979 0.000) 19.407 17.186 ( -16.202 9.903 0.000) 18.989 17.233 ( 18.576 4.922 0.000) 19.218 17.794 ( -18.081 -0.790 0.000) 18.098 18.007 ( 5.089 -26.384 0.000) 26.870 18.130 ( -4.915 -0.866 0.000) 4.991 18.140 ( 0.479 -10.551 0.000) 10.562 18.364 ( -4.056 -24.658 0.000) 24.990 18.485 ( -24.311 -9.520 0.000) 26.108 18.696 ( -11.808 -14.523 0.000) 18.718 21.383 ( 10.166 15.200 0.000) 18.287 21.473 ( 6.961 12.547 0.000) 14.349 21.711 ( -0.004 3.141 0.000) 3.141 21.896 ( -5.954 2.101 0.000) 6.314 ======================= Grid point 22 (15/120) ======================= q-point: ( 0.44 0.29 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.577 ( 12.932 -1.966 0.000) 13.081 2.636 ( 8.662 2.029 0.000) 8.896 3.041 ( 1.917 -2.879 0.000) 3.458 3.165 ( -9.035 4.508 0.000) 10.097 3.328 ( 0.816 -19.900 0.000) 19.917 3.354 ( -4.185 -10.450 0.000) 11.257 3.434 ( 1.004 0.491 0.000) 1.117 3.516 ( -4.215 -5.527 0.000) 6.950 3.995 ( 0.460 4.117 0.000) 4.142 4.064 ( -5.317 2.799 0.000) 6.009 4.167 ( -0.699 0.916 0.000) 1.153 4.215 ( -4.713 1.726 0.000) 5.019 7.396 ( 6.727 17.950 0.000) 19.169 7.458 ( 1.772 8.645 0.000) 8.825 7.693 ( 17.758 -0.836 0.000) 17.778 8.004 ( -11.092 -3.279 0.000) 11.566 8.441 ( 9.062 0.467 0.000) 9.074 8.679 ( -14.380 0.686 0.000) 14.397 8.948 ( 10.679 -4.709 0.000) 11.671 9.093 ( -5.582 -5.490 0.000) 7.829 9.614 ( 21.413 4.781 0.000) 21.940 10.109 ( -23.401 12.463 0.000) 26.513 10.410 ( 11.517 -2.536 0.000) 11.793 10.567 ( 26.983 2.125 0.000) 27.066 10.598 ( -9.494 3.861 0.000) 10.249 10.968 ( 6.549 -8.277 0.000) 10.555 11.045 ( -4.661 -3.590 0.000) 5.883 11.189 ( -21.153 -0.842 0.000) 21.170 11.914 ( -7.246 14.743 0.000) 16.427 11.917 ( -5.777 19.398 0.000) 20.240 12.888 ( -0.038 -15.914 0.000) 15.914 12.926 ( -2.647 -15.040 0.000) 15.272 13.546 ( 6.106 4.748 0.000) 7.735 13.571 ( 0.307 8.501 0.000) 8.507 13.640 ( 7.759 -3.980 0.000) 8.720 13.824 ( -6.150 -1.056 0.000) 6.240 13.861 ( 16.497 4.873 0.000) 17.202 14.231 ( -12.672 -4.420 0.000) 13.420 14.291 ( 13.406 -8.006 0.000) 15.615 14.699 ( -12.278 -12.043 0.000) 17.198 14.859 ( 7.133 15.808 0.000) 17.343 14.962 ( 2.677 4.845 0.000) 5.535 15.123 ( -4.809 3.841 0.000) 6.155 15.214 ( -13.321 6.021 0.000) 14.619 16.230 ( 16.779 20.056 0.000) 26.149 16.426 ( 38.051 6.794 0.000) 38.653 16.561 ( -11.473 11.029 0.000) 15.914 17.193 ( -34.303 5.208 0.000) 34.696 17.214 ( 23.983 -4.997 0.000) 24.498 17.618 ( 17.348 -4.849 0.000) 18.013 17.820 ( -27.967 -10.791 0.000) 29.977 17.947 ( -12.730 -13.128 0.000) 18.286 18.178 ( 4.492 -7.766 0.000) 8.972 18.280 ( -4.395 -7.619 0.000) 8.796 18.296 ( 6.448 -26.986 0.000) 27.746 18.462 ( -9.716 -22.202 0.000) 24.235 21.567 ( 7.102 9.873 0.000) 12.162 21.618 ( 6.365 9.628 0.000) 11.542 21.682 ( -2.559 5.937 0.000) 6.464 21.767 ( -6.463 6.120 0.000) 8.901 ======================= Grid point 27 (16/120) ======================= q-point: ( 0.00 0.43 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( 0.000 29.099 0.000) 29.099 2.327 ( 0.000 30.411 0.000) 30.411 2.657 ( 0.000 -20.532 0.000) 20.532 2.830 ( 0.000 -20.861 0.000) 20.861 3.337 ( 0.000 32.575 0.000) 32.575 3.595 ( 0.000 10.653 0.000) 10.653 3.714 ( 0.000 -7.935 0.000) 7.935 3.818 ( 0.000 -11.550 0.000) 11.550 4.286 ( 0.000 4.730 0.000) 4.730 4.336 ( 0.000 8.967 0.000) 8.967 4.512 ( 0.000 -8.806 0.000) 8.806 4.513 ( 0.000 -16.836 0.000) 16.836 6.641 ( 0.000 8.359 0.000) 8.359 6.803 ( 0.000 -7.898 0.000) 7.898 7.220 ( 0.000 8.094 0.000) 8.094 7.407 ( 0.000 -10.774 0.000) 10.774 8.069 ( 0.000 4.102 0.000) 4.102 8.117 ( 0.000 -0.372 0.000) 0.372 8.749 ( 0.000 16.352 0.000) 16.352 9.160 ( 0.000 -25.539 0.000) 25.539 9.521 ( 0.000 16.936 0.000) 16.936 9.903 ( 0.000 -21.853 0.000) 21.853 10.706 ( 0.000 4.768 0.000) 4.768 10.785 ( 0.000 -3.562 0.000) 3.562 10.789 ( 0.000 7.503 0.000) 7.503 10.915 ( 0.000 -5.837 0.000) 5.837 11.606 ( 0.000 22.529 0.000) 22.529 11.915 ( 0.000 -8.072 0.000) 8.072 12.400 ( 0.000 10.794 0.000) 10.794 12.520 ( 0.000 1.796 0.000) 1.796 12.531 ( 0.000 1.670 0.000) 1.670 12.652 ( 0.000 -13.483 0.000) 13.483 12.858 ( 0.000 2.134 0.000) 2.134 12.867 ( 0.000 1.086 0.000) 1.086 13.333 ( 0.000 6.399 0.000) 6.399 13.508 ( 0.000 -10.903 0.000) 10.903 13.620 ( 0.000 9.047 0.000) 9.047 13.783 ( 0.000 -8.479 0.000) 8.479 14.147 ( 0.000 -4.269 0.000) 4.269 14.163 ( 0.000 -5.600 0.000) 5.600 14.279 ( 0.000 4.790 0.000) 4.790 14.350 ( 0.000 -2.205 0.000) 2.205 16.051 ( 0.000 23.619 0.000) 23.619 16.067 ( 0.000 0.385 0.000) 0.385 16.112 ( 0.000 -4.069 0.000) 4.069 16.205 ( 0.000 2.522 0.000) 2.522 16.259 ( 0.000 16.772 0.000) 16.772 16.675 ( 0.000 -18.743 0.000) 18.743 16.734 ( 0.000 4.225 0.000) 4.225 17.074 ( 0.000 -31.181 0.000) 31.181 18.200 ( 0.000 12.408 0.000) 12.408 18.438 ( 0.000 -10.928 0.000) 10.928 18.454 ( 0.000 6.512 0.000) 6.512 18.612 ( 0.000 -10.842 0.000) 10.842 18.976 ( 0.000 9.402 0.000) 9.402 19.168 ( 0.000 -10.046 0.000) 10.046 21.443 ( 0.000 24.564 0.000) 24.564 21.462 ( 0.000 10.528 0.000) 10.528 21.605 ( 0.000 -4.238 0.000) 4.238 21.879 ( 0.000 -19.919 0.000) 19.919 ======================= Grid point 28 (17/120) ======================= q-point: ( 0.11 0.43 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( 5.513 26.661 0.000) 27.225 2.295 ( -1.597 30.776 0.000) 30.817 2.681 ( 2.199 -19.163 0.000) 19.288 2.815 ( -1.175 -22.287 0.000) 22.318 3.425 ( 6.251 22.970 0.000) 23.805 3.562 ( -2.932 8.855 0.000) 9.327 3.685 ( -2.918 -6.130 0.000) 6.789 3.759 ( -5.379 -10.701 0.000) 11.977 4.295 ( 0.915 6.617 0.000) 6.680 4.313 ( -2.267 8.392 0.000) 8.693 4.474 ( -3.657 -7.864 0.000) 8.673 4.510 ( -0.820 -13.301 0.000) 13.326 6.732 ( 8.527 7.655 0.000) 11.459 6.880 ( 7.214 -7.186 0.000) 10.182 7.381 ( 14.533 10.100 0.000) 17.698 7.595 ( 16.748 -11.695 0.000) 20.427 7.992 ( -5.350 9.500 0.000) 10.903 8.127 ( -0.005 -4.108 0.000) 4.108 8.738 ( 1.172 16.366 0.000) 16.408 9.157 ( 0.470 -25.900 0.000) 25.904 9.471 ( -4.871 14.567 0.000) 15.360 9.784 ( -10.700 -16.810 0.000) 19.927 10.651 ( -4.291 4.650 0.000) 6.327 10.741 ( -3.616 -4.396 0.000) 5.693 10.829 ( 2.779 4.080 0.000) 4.937 10.913 ( 0.199 -4.639 0.000) 4.644 11.500 ( -8.761 19.701 0.000) 21.561 11.755 ( -11.376 -5.752 0.000) 12.747 12.548 ( 2.861 2.786 0.000) 3.994 12.549 ( 9.986 7.130 0.000) 12.270 12.591 ( 6.036 -1.363 0.000) 6.188 12.709 ( 3.756 -8.749 0.000) 9.521 12.913 ( 1.869 9.993 0.000) 10.167 13.052 ( 11.915 -2.586 0.000) 12.193 13.482 ( 15.577 0.035 0.000) 15.577 13.535 ( 5.015 -6.549 0.000) 8.248 13.632 ( 0.823 8.620 0.000) 8.660 13.800 ( 0.818 -9.244 0.000) 9.280 14.073 ( -4.887 -0.335 0.000) 4.898 14.167 ( -0.378 -8.537 0.000) 8.546 14.455 ( 15.712 3.591 0.000) 16.117 14.501 ( 13.947 -0.968 0.000) 13.981 15.835 ( -15.516 8.368 0.000) 17.629 15.985 ( -19.335 -6.744 0.000) 20.478 16.037 ( -6.882 -1.573 0.000) 7.060 16.043 ( -2.005 -2.320 0.000) 3.066 16.240 ( 3.107 33.611 0.000) 33.754 16.850 ( 13.992 15.840 0.000) 21.135 16.934 ( 9.972 -33.320 0.000) 34.780 17.191 ( 11.731 -21.267 0.000) 24.288 18.080 ( -12.064 9.498 0.000) 15.354 18.253 ( -9.617 -6.484 0.000) 11.598 18.457 ( -3.499 5.617 0.000) 6.618 18.654 ( 1.325 -13.126 0.000) 13.192 18.874 ( -9.723 9.379 0.000) 13.510 19.065 ( -9.813 -9.962 0.000) 13.983 21.475 ( 2.993 23.039 0.000) 23.233 21.492 ( 2.764 10.142 0.000) 10.512 21.628 ( 2.076 -3.890 0.000) 4.409 21.875 ( -0.294 -17.631 0.000) 17.634 ======================= Grid point 29 (18/120) ======================= q-point: ( 0.22 0.43 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( 3.932 26.056 0.000) 26.351 2.386 ( 8.967 20.477 0.000) 22.354 2.742 ( 3.541 -15.537 0.000) 15.936 2.804 ( 0.725 -23.039 0.000) 23.050 3.489 ( -3.681 4.265 0.000) 5.634 3.508 ( 0.720 7.427 0.000) 7.462 3.588 ( -6.408 -2.370 0.000) 6.832 3.615 ( -7.754 -8.201 0.000) 11.286 4.242 ( -4.411 6.744 0.000) 8.058 4.311 ( -0.210 7.546 0.000) 7.549 4.364 ( -6.617 -5.505 0.000) 8.608 4.458 ( -4.300 -6.497 0.000) 7.791 6.980 ( 14.626 5.683 0.000) 15.691 7.088 ( 12.187 -5.094 0.000) 13.208 7.687 ( 7.150 20.822 0.000) 22.016 7.918 ( 9.770 1.673 0.000) 9.912 8.079 ( 20.959 -7.019 0.000) 22.103 8.129 ( 1.638 -6.567 0.000) 6.768 8.877 ( 12.985 12.427 0.000) 17.973 9.236 ( 8.780 -22.996 0.000) 24.616 9.314 ( -10.047 8.882 0.000) 13.410 9.496 ( -15.885 -9.264 0.000) 18.389 10.561 ( -3.727 4.953 0.000) 6.199 10.674 ( -1.928 -6.183 0.000) 6.477 10.848 ( -1.549 3.860 0.000) 4.159 10.929 ( -0.238 -3.901 0.000) 3.908 11.305 ( -8.623 16.079 0.000) 18.246 11.537 ( -8.543 -6.565 0.000) 10.774 12.570 ( -2.751 10.838 0.000) 11.182 12.649 ( -4.214 6.515 0.000) 7.759 12.728 ( 4.364 -6.546 0.000) 7.868 12.759 ( 1.067 -5.303 0.000) 5.409 12.983 ( 8.616 9.405 0.000) 12.755 13.210 ( 4.873 -12.333 0.000) 13.260 13.651 ( 1.242 6.128 0.000) 6.252 13.755 ( 13.880 9.486 0.000) 16.812 13.785 ( -0.872 -7.403 0.000) 7.454 13.909 ( 21.524 -4.991 0.000) 22.095 14.007 ( -1.114 3.656 0.000) 3.822 14.176 ( 1.386 -11.119 0.000) 11.205 14.869 ( 20.986 1.374 0.000) 21.031 14.891 ( 21.961 -0.523 0.000) 21.967 15.502 ( -16.107 4.055 0.000) 16.610 15.606 ( -14.818 -6.204 0.000) 16.064 15.859 ( -8.135 6.729 0.000) 10.557 16.016 ( 1.160 -8.872 0.000) 8.947 16.340 ( 6.409 36.475 0.000) 37.034 17.038 ( 5.873 -20.447 0.000) 21.274 17.221 ( 16.138 -3.193 0.000) 16.451 17.478 ( 13.521 -15.459 0.000) 20.538 17.759 ( -16.906 11.358 0.000) 20.367 18.034 ( -11.707 -17.338 0.000) 20.920 18.374 ( -4.086 11.022 0.000) 11.756 18.577 ( -18.346 9.253 0.000) 20.548 18.614 ( -5.148 -13.664 0.000) 14.602 18.766 ( -18.650 -9.790 0.000) 21.064 21.560 ( 4.861 18.649 0.000) 19.273 21.570 ( 4.403 8.978 0.000) 10.000 21.683 ( 2.952 -2.800 0.000) 4.069 21.868 ( -0.430 -12.365 0.000) 12.373 ======================= Grid point 30 (19/120) ======================= q-point: ( 0.33 0.43 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( 9.176 17.525 0.000) 19.782 2.580 ( 9.011 12.797 0.000) 15.651 2.820 ( 3.776 -11.339 0.000) 11.951 2.856 ( 4.032 -21.946 0.000) 22.313 3.406 ( -5.083 0.243 0.000) 5.088 3.427 ( -8.374 2.011 0.000) 8.612 3.464 ( -4.135 -0.919 0.000) 4.236 3.467 ( -5.332 -5.567 0.000) 7.709 4.142 ( -4.612 4.947 0.000) 6.763 4.223 ( -5.970 -3.150 0.000) 6.750 4.259 ( -4.807 5.291 0.000) 7.149 4.340 ( -6.516 -2.557 0.000) 7.000 7.314 ( 16.527 2.979 0.000) 16.793 7.364 ( 13.747 -1.769 0.000) 13.860 7.718 ( 0.439 21.164 0.000) 21.168 8.015 ( -1.851 -9.254 0.000) 9.438 8.317 ( 11.992 6.570 0.000) 13.674 8.502 ( 16.521 -10.641 0.000) 19.652 9.057 ( -14.427 5.043 0.000) 15.284 9.172 ( -13.851 -6.165 0.000) 15.161 9.277 ( 24.677 11.983 0.000) 27.432 9.599 ( 26.522 -18.285 0.000) 32.214 10.527 ( 1.348 7.146 0.000) 7.272 10.682 ( 3.000 -8.461 0.000) 8.977 10.734 ( -10.262 8.533 0.000) 13.347 10.841 ( -7.933 -1.399 0.000) 8.055 11.168 ( -5.553 10.266 0.000) 11.672 11.387 ( -8.039 -9.230 0.000) 12.240 12.427 ( -13.540 12.664 0.000) 18.540 12.446 ( -7.742 16.728 0.000) 18.432 12.681 ( -7.562 -12.944 0.000) 14.991 12.729 ( -3.633 -12.427 0.000) 12.947 13.251 ( 15.030 3.054 0.000) 15.337 13.364 ( 10.223 -8.270 0.000) 13.149 13.695 ( 3.212 7.775 0.000) 8.412 13.869 ( 7.582 -8.778 0.000) 11.599 13.976 ( -1.623 8.282 0.000) 8.439 13.987 ( 7.464 18.241 0.000) 19.709 14.193 ( -0.822 -12.432 0.000) 12.459 14.300 ( 14.221 -12.146 0.000) 18.702 15.152 ( 2.399 2.793 0.000) 3.681 15.206 ( 3.141 -1.622 0.000) 3.535 15.207 ( -10.493 8.275 0.000) 13.363 15.376 ( -8.288 -8.133 0.000) 11.613 15.937 ( 21.941 15.340 0.000) 26.772 16.219 ( 20.398 -12.663 0.000) 24.008 16.504 ( 9.248 34.475 0.000) 35.694 17.164 ( 6.380 -26.457 0.000) 27.215 17.415 ( -15.458 14.566 0.000) 21.239 17.539 ( 13.470 -1.192 0.000) 13.523 17.686 ( 3.105 -9.272 0.000) 9.778 17.781 ( -12.063 -23.117 0.000) 26.075 18.152 ( -18.885 5.987 0.000) 19.811 18.284 ( -4.685 6.419 0.000) 7.947 18.305 ( -24.573 -8.974 0.000) 26.160 18.453 ( -9.835 -10.659 0.000) 14.503 21.663 ( 4.570 12.724 0.000) 13.520 21.666 ( 4.616 6.909 0.000) 8.309 21.739 ( 2.207 -0.803 0.000) 2.349 21.854 ( -1.049 -6.370 0.000) 6.456 ======================= Grid point 31 (20/120) ======================= q-point: ( 0.44 0.43 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.653 ( 8.032 9.714 0.000) 12.604 2.718 ( 2.632 6.922 0.000) 7.405 2.900 ( 3.810 -10.608 0.000) 11.271 2.934 ( 1.866 -18.313 0.000) 18.407 3.275 ( -4.610 5.869 0.000) 7.463 3.285 ( -4.842 3.151 0.000) 5.777 3.385 ( -2.238 -4.884 0.000) 5.372 3.394 ( -2.427 -6.690 0.000) 7.117 4.084 ( -0.121 4.432 0.000) 4.434 4.143 ( -5.155 4.449 0.000) 6.809 4.153 ( -0.223 -2.322 0.000) 2.333 4.211 ( -5.231 -2.089 0.000) 5.632 7.596 ( 9.579 5.263 0.000) 10.930 7.666 ( 14.448 -2.180 0.000) 14.612 7.715 ( -1.975 13.619 0.000) 13.761 7.910 ( -8.375 -6.849 0.000) 10.819 8.523 ( 9.222 8.421 0.000) 12.488 8.748 ( 8.608 -13.125 0.000) 15.696 8.755 ( -13.315 7.043 0.000) 15.063 8.929 ( -9.756 -9.926 0.000) 13.918 9.866 ( 29.607 18.208 0.000) 34.758 10.220 ( 27.986 -15.915 0.000) 32.195 10.410 ( -20.979 15.972 0.000) 26.367 10.625 ( -12.883 -3.945 0.000) 13.474 10.658 ( 12.579 6.758 0.000) 14.279 10.806 ( 9.028 -8.158 0.000) 12.168 10.993 ( -12.377 0.821 0.000) 12.405 11.097 ( -19.258 -7.384 0.000) 20.625 12.235 ( -2.782 17.380 0.000) 17.601 12.289 ( -6.368 18.388 0.000) 19.459 12.570 ( -1.103 -16.853 0.000) 16.890 12.625 ( -5.075 -16.156 0.000) 16.934 13.557 ( 13.513 0.593 0.000) 13.526 13.600 ( 11.024 -2.831 0.000) 11.382 13.738 ( -1.345 7.084 0.000) 7.210 13.805 ( -9.348 -0.689 0.000) 9.374 14.076 ( 2.015 16.019 0.000) 16.145 14.127 ( -2.631 -2.991 0.000) 3.983 14.171 ( 13.043 -5.680 0.000) 14.226 14.409 ( -5.263 -16.929 0.000) 17.728 15.097 ( -0.472 8.082 0.000) 8.096 15.106 ( -0.310 8.396 0.000) 8.401 15.177 ( -2.886 0.551 0.000) 2.938 15.227 ( -6.238 -4.013 0.000) 7.418 16.590 ( 34.764 10.386 0.000) 36.282 16.715 ( 10.150 28.823 0.000) 30.558 16.738 ( 20.311 0.623 0.000) 20.321 17.177 ( -1.313 7.832 0.000) 7.942 17.240 ( -12.619 -13.488 0.000) 18.470 17.416 ( -9.997 -4.735 0.000) 11.062 17.546 ( -10.164 -24.770 0.000) 26.774 17.565 ( -21.226 -12.734 0.000) 24.753 17.986 ( 5.059 -1.176 0.000) 5.194 18.059 ( 5.452 -6.445 0.000) 8.442 18.171 ( -6.655 -1.028 0.000) 6.734 18.224 ( -11.228 -5.839 0.000) 12.655 21.739 ( 2.501 7.039 0.000) 7.470 21.752 ( 2.994 3.889 0.000) 4.908 21.768 ( 0.849 2.184 0.000) 2.344 21.819 ( -2.291 -0.882 0.000) 2.455 ======================= Grid point 63 (21/120) ======================= q-point: ( 0.00 0.00 0.10) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( 0.000 0.000 35.100) 35.100 0.810 ( 0.000 0.000 40.611) 40.611 1.300 ( 0.000 0.000 64.052) 64.052 3.003 ( 0.000 0.000 3.128) 3.128 3.386 ( 0.000 0.000 -9.623) 9.623 3.426 ( 0.000 0.000 0.849) 0.849 3.772 ( 0.000 0.000 -0.296) 0.296 3.999 ( 0.000 0.000 -1.576) 1.576 4.197 ( 0.000 0.000 -3.382) 3.382 4.315 ( 0.000 0.000 -5.165) 5.165 4.808 ( 0.000 0.000 -1.401) 1.401 4.953 ( 0.000 0.000 -13.382) 13.382 6.222 ( 0.000 0.000 3.679) 3.679 7.084 ( 0.000 0.000 5.979) 5.979 7.228 ( 0.000 0.000 18.059) 18.059 7.904 ( 0.000 0.000 7.186) 7.186 8.059 ( 0.000 0.000 4.412) 4.412 8.061 ( 0.000 0.000 -8.195) 8.195 8.227 ( 0.000 0.000 -1.220) 1.220 9.102 ( 0.000 0.000 1.330) 1.330 10.153 ( 0.000 0.000 -8.750) 8.750 10.216 ( 0.000 0.000 -9.036) 9.036 10.393 ( 0.000 0.000 -5.373) 5.373 10.631 ( 0.000 0.000 1.457) 1.457 10.952 ( 0.000 0.000 -4.100) 4.100 11.303 ( 0.000 0.000 3.542) 3.542 11.355 ( 0.000 0.000 -5.512) 5.512 11.657 ( 0.000 0.000 1.245) 1.245 12.029 ( 0.000 0.000 15.105) 15.105 12.194 ( 0.000 0.000 -0.802) 0.802 12.540 ( 0.000 0.000 9.687) 9.687 12.747 ( 0.000 0.000 0.502) 0.502 12.771 ( 0.000 0.000 -4.045) 4.045 13.286 ( 0.000 0.000 -1.323) 1.323 13.291 ( 0.000 0.000 5.864) 5.864 13.334 ( 0.000 0.000 8.336) 8.336 13.674 ( 0.000 0.000 -6.732) 6.732 14.056 ( 0.000 0.000 0.091) 0.091 14.058 ( 0.000 0.000 -1.025) 1.025 14.208 ( 0.000 0.000 -4.227) 4.227 14.386 ( 0.000 0.000 -2.982) 2.982 14.614 ( 0.000 0.000 7.508) 7.508 15.104 ( 0.000 0.000 12.722) 12.722 15.656 ( 0.000 0.000 -1.922) 1.922 15.781 ( 0.000 0.000 -14.398) 14.398 15.990 ( 0.000 0.000 -25.293) 25.293 16.137 ( 0.000 0.000 -5.355) 5.355 16.940 ( 0.000 0.000 11.437) 11.437 17.547 ( 0.000 0.000 24.198) 24.198 18.125 ( 0.000 0.000 -6.500) 6.500 18.213 ( 0.000 0.000 -25.170) 25.170 18.661 ( 0.000 0.000 -3.667) 3.667 18.828 ( 0.000 0.000 0.515) 0.515 18.844 ( 0.000 0.000 -1.788) 1.788 19.435 ( 0.000 0.000 -2.027) 2.027 19.669 ( 0.000 0.000 -7.832) 7.832 20.203 ( 0.000 0.000 23.305) 23.305 20.718 ( 0.000 0.000 3.231) 3.231 21.613 ( 0.000 0.000 1.582) 1.582 22.113 ( 0.000 0.000 -3.719) 3.719 ======================= Grid point 64 (22/120) ======================= q-point: ( 0.11 0.00 0.10) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( 22.947 0.000 21.087) 31.164 1.219 ( 31.655 0.000 24.916) 40.285 1.820 ( 38.861 0.000 45.044) 59.490 3.032 ( 2.640 0.000 2.954) 3.962 3.385 ( -1.437 0.000 -3.663) 3.935 3.420 ( 2.666 0.000 -7.350) 7.819 3.763 ( -2.596 0.000 -1.769) 3.141 3.984 ( -0.396 0.000 0.086) 0.406 4.146 ( -4.684 0.000 -3.368) 5.769 4.281 ( -2.579 0.000 -5.684) 6.241 4.730 ( -7.448 0.000 -0.521) 7.466 4.820 ( -12.084 0.000 -11.450) 16.647 6.279 ( 5.256 0.000 3.816) 6.495 6.685 ( -8.242 0.000 13.865) 16.130 7.265 ( 3.508 0.000 17.248) 17.601 7.967 ( 7.115 0.000 5.128) 8.770 8.178 ( 1.966 0.000 -4.980) 5.354 8.311 ( 21.526 0.000 5.381) 22.188 8.423 ( 8.307 0.000 6.038) 10.270 9.087 ( -1.416 0.000 1.338) 1.948 10.037 ( -15.721 0.000 -7.272) 17.322 10.041 ( -7.551 0.000 -12.511) 14.613 10.562 ( 9.895 0.000 -4.950) 11.064 10.645 ( 1.535 0.000 0.189) 1.546 10.823 ( -10.673 0.000 -4.748) 11.681 11.273 ( -5.483 0.000 4.043) 6.812 11.412 ( 3.868 0.000 -5.887) 7.044 11.494 ( -11.915 0.000 11.616) 16.640 11.972 ( -4.861 0.000 13.959) 14.781 12.219 ( 2.902 0.000 -4.615) 5.451 12.568 ( 6.201 0.000 2.908) 6.849 12.826 ( 5.201 0.000 -7.697) 9.290 12.849 ( 8.369 0.000 -0.841) 8.411 13.148 ( -4.228 0.000 10.564) 11.378 13.222 ( -1.539 0.000 -1.888) 2.436 13.442 ( 9.920 0.000 8.445) 13.027 13.952 ( -9.696 0.000 -13.130) 16.322 14.022 ( 16.976 0.000 -14.048) 22.035 14.194 ( -0.469 0.000 0.735) 0.872 14.374 ( 17.679 0.000 -9.970) 20.297 14.437 ( 2.335 0.000 -5.149) 5.654 14.719 ( 12.068 0.000 15.485) 19.632 15.032 ( -4.443 0.000 12.690) 13.445 15.649 ( -0.776 0.000 -0.666) 1.022 15.788 ( -6.109 0.000 -19.450) 20.387 15.929 ( -8.632 0.000 -20.352) 22.107 16.136 ( 7.291 0.000 -4.010) 8.321 16.722 ( -9.761 0.000 20.653) 22.843 17.749 ( -23.482 0.000 -18.929) 30.162 17.843 ( 19.164 0.000 18.838) 26.872 18.211 ( -10.017 0.000 16.517) 19.317 18.359 ( 2.172 0.000 -7.094) 7.419 18.859 ( 1.208 0.000 -0.765) 1.430 19.245 ( 3.756 0.000 -12.047) 12.619 19.423 ( -1.217 0.000 -1.627) 2.032 19.574 ( -7.957 0.000 -7.736) 11.098 20.326 ( 11.278 0.000 16.831) 20.260 20.744 ( 2.894 0.000 1.029) 3.071 21.616 ( 0.167 0.000 0.818) 0.835 21.932 ( -10.051 0.000 -1.343) 10.140 ======================= Grid point 65 (23/120) ======================= q-point: ( 0.22 0.00 0.10) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 27.398 0.000 6.340) 28.122 1.919 ( 33.010 0.000 12.224) 35.200 2.573 ( 28.368 0.000 28.184) 39.989 3.103 ( 3.806 0.000 2.526) 4.568 3.373 ( -0.459 0.000 -6.576) 6.592 3.495 ( 2.955 0.000 -6.448) 7.093 3.720 ( 2.192 0.000 -4.100) 4.649 3.965 ( -2.125 0.000 2.583) 3.345 4.018 ( -7.135 0.000 -3.330) 7.874 4.211 ( -4.365 0.000 -6.866) 8.136 4.499 ( -17.291 0.000 -7.950) 19.031 4.525 ( -10.947 0.000 2.688) 11.272 6.434 ( 9.616 0.000 4.290) 10.530 6.791 ( 14.622 0.000 1.768) 14.728 7.361 ( 4.911 0.000 15.908) 16.649 8.169 ( 10.831 0.000 4.035) 11.558 8.224 ( 2.490 0.000 1.693) 3.011 8.524 ( 4.116 0.000 12.504) 13.165 8.893 ( 32.978 0.000 3.442) 33.157 9.067 ( 0.065 0.000 1.563) 1.564 9.627 ( -22.132 0.000 -3.831) 22.462 9.879 ( -7.705 0.000 -12.542) 14.719 10.510 ( -17.733 0.000 -11.709) 21.250 10.705 ( 4.441 0.000 -1.201) 4.600 10.723 ( 2.865 0.000 -0.832) 2.984 11.112 ( -7.479 0.000 9.996) 12.484 11.229 ( -12.227 0.000 13.807) 18.443 11.453 ( -0.810 0.000 -6.877) 6.924 11.838 ( -8.356 0.000 11.195) 13.970 12.262 ( -2.156 0.000 -4.395) 4.896 12.789 ( 13.955 0.000 -3.708) 14.440 12.967 ( 8.091 0.000 -7.399) 10.964 13.022 ( 6.727 0.000 -4.694) 8.203 13.169 ( 7.232 0.000 0.357) 7.241 13.217 ( 0.844 0.000 -5.528) 5.592 13.684 ( -1.950 0.000 -6.710) 6.988 13.731 ( 5.479 0.000 4.200) 6.904 14.138 ( -6.700 0.000 2.847) 7.280 14.348 ( 13.817 0.000 -6.006) 15.066 14.534 ( 9.253 0.000 -8.588) 12.624 14.622 ( 4.943 0.000 -13.450) 14.330 15.033 ( 6.467 0.000 16.918) 18.112 15.108 ( 23.392 0.000 20.490) 31.097 15.528 ( -24.664 0.000 -18.386) 30.763 15.575 ( -13.592 0.000 -12.040) 18.158 15.623 ( -0.992 0.000 2.160) 2.377 16.394 ( 12.038 0.000 -3.711) 12.597 16.764 ( 14.932 0.000 16.184) 22.020 17.222 ( -26.311 0.000 -19.342) 32.656 18.128 ( 4.531 0.000 12.696) 13.480 18.229 ( 11.672 0.000 17.817) 21.299 18.255 ( -12.289 0.000 3.017) 12.653 18.901 ( 3.208 0.000 1.181) 3.418 19.053 ( -17.782 0.000 -4.748) 18.405 19.347 ( -14.558 0.000 -2.571) 14.783 19.383 ( -2.610 0.000 -0.664) 2.693 20.632 ( 16.779 0.000 5.994) 17.818 20.840 ( 6.155 0.000 -3.543) 7.102 21.613 ( -0.667 0.000 -1.027) 1.225 21.756 ( -7.656 0.000 -7.199) 10.509 ======================= Grid point 66 (24/120) ======================= q-point: ( 0.33 0.00 0.10) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( 25.528 0.000 -1.180) 25.555 2.536 ( 25.215 0.000 5.765) 25.866 2.950 ( 9.482 0.000 12.492) 15.684 3.170 ( 1.914 0.000 2.060) 2.812 3.301 ( -6.355 0.000 -3.059) 7.053 3.520 ( 0.378 0.000 -8.881) 8.889 3.832 ( -1.650 0.000 -5.023) 5.287 3.875 ( -5.755 0.000 -3.279) 6.624 3.941 ( 4.814 0.000 4.912) 6.878 4.095 ( -5.010 0.000 -5.925) 7.759 4.150 ( -15.093 0.000 -5.394) 16.028 4.341 ( -5.813 0.000 8.908) 10.637 6.682 ( 14.139 0.000 5.032) 15.008 7.204 ( 23.608 0.000 -1.874) 23.682 7.425 ( -0.063 0.000 13.781) 13.781 8.257 ( -0.741 0.000 5.102) 5.156 8.380 ( 9.161 0.000 4.147) 10.056 8.662 ( 9.881 0.000 10.449) 14.381 9.092 ( 1.883 0.000 2.714) 3.303 9.159 ( -20.765 0.000 0.673) 20.776 9.642 ( 36.912 0.000 -0.409) 36.914 9.727 ( -6.535 0.000 -11.898) 13.574 10.113 ( -18.873 0.000 -17.337) 25.627 10.654 ( -7.409 0.000 8.332) 11.150 10.835 ( 8.108 0.000 -1.924) 8.333 10.895 ( -13.011 0.000 11.360) 17.272 11.174 ( 6.375 0.000 9.168) 11.167 11.362 ( -8.353 0.000 -6.589) 10.639 11.596 ( -15.091 0.000 4.556) 15.764 12.059 ( -15.746 0.000 2.605) 15.960 13.103 ( 14.698 0.000 -7.544) 16.521 13.111 ( 2.357 0.000 -7.899) 8.244 13.198 ( 13.086 0.000 -9.665) 16.269 13.240 ( 0.456 0.000 -11.042) 11.051 13.427 ( 16.612 0.000 -8.724) 18.764 13.501 ( -4.971 0.000 -7.242) 8.784 13.932 ( -11.582 0.000 3.713) 12.162 14.096 ( 19.544 0.000 14.881) 24.564 14.612 ( 11.230 0.000 0.438) 11.239 14.625 ( -1.662 0.000 -9.562) 9.705 14.771 ( 9.863 0.000 -5.237) 11.167 14.947 ( -25.959 0.000 -10.902) 28.155 15.192 ( -1.942 0.000 -2.842) 3.442 15.290 ( -10.452 0.000 7.723) 12.996 15.473 ( 5.833 0.000 3.051) 6.583 15.824 ( 26.939 0.000 16.799) 31.748 16.676 ( -25.302 0.000 -17.501) 30.765 16.716 ( 21.447 0.000 -0.351) 21.450 17.218 ( 25.125 0.000 6.437) 25.937 17.864 ( -24.459 0.000 9.872) 26.377 18.230 ( 5.465 0.000 12.215) 13.382 18.412 ( 3.286 0.000 15.815) 16.153 18.606 ( -22.699 0.000 -2.644) 22.853 18.967 ( -21.242 0.000 1.996) 21.335 18.992 ( 5.206 0.000 1.678) 5.470 19.314 ( -3.976 0.000 0.286) 3.987 20.981 ( 15.930 0.000 -0.857) 15.953 20.997 ( 8.699 0.000 -7.187) 11.284 21.577 ( -3.107 0.000 -2.992) 4.313 21.591 ( -8.420 0.000 -9.660) 12.814 ======================= Grid point 67 (25/120) ======================= q-point: ( 0.44 0.00 0.10) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.559 ( 21.493 0.000 -3.948) 21.852 2.931 ( -12.485 0.000 -2.586) 12.750 2.952 ( 14.577 0.000 2.675) 14.820 3.150 ( -4.676 0.000 1.851) 5.029 3.270 ( 6.180 0.000 2.012) 6.500 3.444 ( -8.131 0.000 -4.775) 9.429 3.798 ( 2.319 0.000 -7.585) 7.931 3.811 ( 0.259 0.000 -3.378) 3.388 3.897 ( -5.957 0.000 -5.943) 8.415 3.901 ( -8.361 0.000 -3.998) 9.268 4.154 ( 5.663 0.000 9.074) 10.697 4.251 ( -3.898 0.000 11.505) 12.147 7.011 ( 16.516 0.000 6.293) 17.674 7.313 ( -10.872 0.000 9.530) 14.458 7.715 ( 23.656 0.000 0.383) 23.659 8.119 ( -13.514 0.000 3.969) 14.085 8.562 ( 8.953 0.000 5.447) 10.480 8.791 ( -13.926 0.000 5.117) 14.837 8.922 ( 13.038 0.000 5.804) 14.272 9.100 ( -2.908 0.000 3.178) 4.308 9.641 ( -0.255 0.000 -12.885) 12.887 9.773 ( -12.599 0.000 -16.777) 20.982 10.399 ( 34.450 0.000 -4.540) 34.748 10.547 ( -0.592 0.000 12.094) 12.109 10.650 ( -9.478 0.000 11.947) 15.250 11.023 ( -9.557 0.000 -4.844) 10.714 11.046 ( -4.283 0.000 -2.999) 5.229 11.280 ( -12.869 0.000 -1.013) 12.908 11.381 ( 12.795 0.000 7.065) 14.616 11.698 ( -17.205 0.000 5.789) 18.153 13.154 ( 2.349 0.000 -10.255) 10.521 13.211 ( -2.723 0.000 -12.732) 13.020 13.354 ( 8.279 0.000 -11.732) 14.359 13.402 ( 4.344 0.000 -13.209) 13.905 13.517 ( 5.521 0.000 1.867) 5.829 13.691 ( -10.611 0.000 3.510) 11.177 13.851 ( 23.425 0.000 -9.904) 25.433 14.374 ( -26.130 0.000 -10.207) 28.053 14.498 ( 17.925 0.000 12.171) 21.667 14.636 ( 4.155 0.000 -9.373) 10.253 14.768 ( -3.238 0.000 -6.917) 7.637 14.793 ( -8.446 0.000 7.051) 11.003 15.045 ( 1.037 0.000 6.226) 6.311 15.181 ( -6.792 0.000 16.429) 17.778 15.682 ( 16.870 0.000 -10.901) 20.085 16.106 ( -20.410 0.000 -13.235) 24.326 16.564 ( 31.923 0.000 15.602) 35.531 17.264 ( -32.307 0.000 14.362) 35.356 17.268 ( 29.115 0.000 -1.642) 29.161 17.674 ( 8.037 0.000 1.558) 8.187 18.094 ( -10.875 0.000 0.831) 10.907 18.308 ( -5.310 0.000 12.315) 13.411 18.460 ( -2.113 0.000 11.063) 11.263 18.539 ( -13.204 0.000 7.802) 15.337 19.107 ( 5.594 0.000 1.505) 5.793 19.219 ( -5.046 0.000 1.012) 5.147 21.194 ( 9.991 0.000 -9.252) 13.617 21.275 ( 11.884 0.000 -3.769) 12.468 21.402 ( -9.652 0.000 -10.022) 13.914 21.472 ( -7.104 0.000 -4.163) 8.234 ======================= Grid point 72 (26/120) ======================= q-point: ( 0.00 0.14 0.10) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 0.000 23.933 24.320) 34.121 1.093 ( 0.000 32.669 20.959) 38.814 1.865 ( 0.000 43.725 43.955) 62.000 3.021 ( 0.000 0.725 2.522) 2.624 3.358 ( 0.000 -2.018 -8.790) 9.019 3.368 ( 0.000 -5.898 0.979) 5.978 3.768 ( 0.000 -0.363 -0.912) 0.982 4.032 ( 0.000 3.592 -1.458) 3.876 4.153 ( 0.000 -4.334 -4.831) 6.491 4.278 ( 0.000 -3.231 -3.569) 4.814 4.767 ( 0.000 -4.185 -1.514) 4.451 4.899 ( 0.000 -5.603 -12.382) 13.591 6.421 ( 0.000 12.480 3.370) 12.927 7.092 ( 0.000 0.625 6.068) 6.100 7.215 ( 0.000 -1.174 18.586) 18.623 7.803 ( 0.000 -4.992 -0.098) 4.993 7.953 ( 0.000 -8.359 0.317) 8.365 8.071 ( 0.000 1.049 3.047) 3.222 8.258 ( 0.000 4.738 -4.355) 6.435 9.139 ( 0.000 4.032 1.531) 4.313 10.005 ( 0.000 -13.878 -9.973) 17.090 10.336 ( 0.000 9.481 -7.389) 12.020 10.426 ( 0.000 2.983 -6.436) 7.094 10.725 ( 0.000 -18.263 -3.827) 18.660 10.734 ( 0.000 10.194 -0.417) 10.202 11.147 ( 0.000 -9.999 7.816) 12.691 11.308 ( 0.000 -7.368 7.984) 10.864 11.683 ( 0.000 7.414 -4.930) 8.903 12.178 ( 0.000 3.930 0.863) 4.024 12.262 ( 0.000 13.718 11.077) 17.632 12.546 ( 0.000 1.338 8.888) 8.988 12.765 ( 0.000 -0.430 -3.962) 3.985 12.816 ( 0.000 3.279 1.496) 3.604 13.095 ( 0.000 -8.630 6.805) 10.990 13.273 ( 0.000 -0.759 3.409) 3.493 13.403 ( 0.000 5.841 9.805) 11.413 13.797 ( 0.000 -4.465 -11.688) 12.512 14.054 ( 0.000 -0.834 -4.078) 4.163 14.079 ( 0.000 2.462 -6.470) 6.923 14.301 ( 0.000 -3.583 -9.440) 10.097 14.420 ( 0.000 10.906 8.418) 13.777 14.573 ( 0.000 -3.213 10.807) 11.275 15.198 ( 0.000 10.674 7.425) 13.002 15.668 ( 0.000 0.930 -6.700) 6.764 15.802 ( 0.000 0.633 -20.315) 20.325 15.993 ( 0.000 1.492 -19.309) 19.366 16.196 ( 0.000 4.722 -2.524) 5.354 16.885 ( 0.000 -4.908 10.678) 11.752 17.473 ( 0.000 -7.531 23.521) 24.698 18.133 ( 0.000 0.362 -0.920) 0.989 18.195 ( 0.000 -5.191 -18.401) 19.119 18.401 ( 0.000 -18.546 21.583) 28.457 18.593 ( 0.000 -14.713 -7.468) 16.500 18.654 ( 0.000 -5.669 -2.936) 6.384 19.368 ( 0.000 -5.512 -9.505) 10.988 19.404 ( 0.000 -18.651 1.810) 18.739 20.519 ( 0.000 24.004 13.162) 27.376 20.896 ( 0.000 15.539 2.705) 15.772 21.629 ( 0.000 1.472 1.403) 2.034 22.251 ( 0.000 2.753 -10.501) 10.856 ======================= Grid point 73 (27/120) ======================= q-point: ( 0.11 0.14 0.10) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 15.830 22.916 18.445) 33.405 1.281 ( 23.143 15.113 20.233) 34.255 2.264 ( 30.826 35.409 31.829) 56.720 3.035 ( 1.330 -0.408 2.289) 2.678 3.344 ( -0.969 -4.694 -0.526) 4.822 3.382 ( 2.344 -2.849 -8.498) 9.264 3.750 ( -2.591 -1.113 -1.937) 3.421 4.016 ( -1.555 2.745 -0.387) 3.178 4.101 ( -4.327 -3.869 -4.119) 7.118 4.251 ( -2.386 -2.883 -4.744) 6.043 4.693 ( -6.844 -3.579 -0.893) 7.775 4.783 ( -10.501 -3.912 -10.618) 15.437 6.496 ( 7.045 13.387 1.708) 15.224 6.809 ( -11.094 14.990 7.657) 20.159 7.250 ( 3.788 -1.722 17.722) 18.204 7.873 ( 7.498 -7.904 4.629) 11.837 8.165 ( 3.422 -1.086 -1.682) 3.965 8.209 ( 17.226 -12.379 5.876) 22.011 8.384 ( 11.986 2.551 2.739) 12.557 9.124 ( -1.447 4.010 1.437) 4.499 9.940 ( -5.231 -10.103 -11.049) 15.859 10.090 ( -18.046 2.254 -6.606) 19.349 10.521 ( 5.761 -2.381 -4.985) 7.982 10.737 ( -0.079 7.251 -3.674) 8.129 10.789 ( 0.223 -1.741 -0.175) 1.764 11.033 ( -7.185 -12.621 3.202) 14.872 11.298 ( -2.345 -9.373 10.568) 14.319 11.623 ( -4.916 8.408 -0.697) 9.764 12.189 ( -2.445 10.774 2.987) 11.445 12.272 ( 1.561 9.583 0.939) 9.755 12.576 ( 5.682 0.981 3.389) 6.688 12.791 ( 3.550 -2.940 -6.026) 7.587 12.902 ( 6.864 2.561 0.056) 7.327 13.064 ( -0.060 -2.475 6.864) 7.297 13.288 ( 0.862 3.343 0.303) 3.465 13.541 ( 9.128 5.671 6.218) 12.416 13.828 ( -1.484 -8.158 -7.638) 11.274 14.074 ( 4.486 -2.292 -10.690) 11.817 14.146 ( 5.096 2.548 -6.122) 8.363 14.354 ( 2.843 -7.354 -3.402) 8.587 14.525 ( 8.529 8.931 0.231) 12.351 14.665 ( 10.815 -4.375 17.915) 21.379 15.181 ( -0.294 14.830 6.867) 16.345 15.626 ( -2.160 -1.624 -3.445) 4.379 15.777 ( -6.952 -2.079 -24.062) 25.132 15.951 ( -8.618 2.064 -17.321) 19.456 16.181 ( 3.213 3.067 -3.360) 5.570 16.707 ( -5.720 -0.273 20.886) 21.657 17.762 ( 7.816 -4.731 8.402) 12.412 17.789 ( -10.151 0.181 -5.729) 11.657 18.201 ( -5.815 -0.296 13.776) 14.956 18.346 ( 3.148 -6.030 -1.965) 7.081 18.622 ( -0.346 -16.584 -5.030) 17.333 18.919 ( 11.490 -25.483 0.420) 27.957 19.278 ( -8.839 -9.889 -5.849) 14.496 19.377 ( -3.372 -13.300 -2.348) 13.920 20.591 ( 7.104 21.696 10.550) 25.149 20.923 ( 2.679 15.444 0.854) 15.698 21.634 ( 0.352 1.642 0.646) 1.799 22.088 ( -11.319 7.223 -7.003) 15.144 ======================= Grid point 74 (28/120) ======================= q-point: ( 0.22 0.14 0.10) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 22.420 13.753 7.054) 27.232 1.859 ( 28.984 0.174 15.155) 32.707 2.856 ( 20.889 21.799 17.884) 35.091 3.072 ( 1.977 -3.182 1.145) 3.917 3.362 ( 2.409 -1.536 -3.464) 4.490 3.454 ( 3.520 -4.092 -5.688) 7.842 3.679 ( -2.037 -3.818 -3.828) 5.777 3.932 ( -6.264 -4.315 -0.793) 7.647 4.023 ( -2.903 2.403 -0.251) 3.777 4.182 ( -4.145 -2.633 -6.185) 7.898 4.491 ( -13.431 -1.099 -3.112) 13.831 4.519 ( -11.477 -0.601 -2.700) 11.806 6.665 ( 7.324 21.150 1.992) 22.471 6.829 ( 13.071 4.395 2.808) 14.073 7.361 ( 6.232 -0.374 16.234) 17.393 8.090 ( 11.883 -7.045 6.126) 15.111 8.221 ( 2.548 -0.401 0.876) 2.724 8.454 ( 8.243 -5.464 9.870) 13.972 8.850 ( 30.140 -3.967 3.401) 30.590 9.089 ( -1.666 2.496 1.169) 3.221 9.654 ( -21.479 1.232 -3.291) 21.764 9.842 ( -4.636 -4.623 -10.235) 12.150 10.538 ( -15.600 2.752 -7.757) 17.638 10.614 ( 0.376 -5.035 -3.855) 6.353 10.804 ( 2.019 4.438 1.596) 5.131 10.955 ( -0.477 -9.193 4.625) 10.302 11.182 ( -8.818 -3.617 10.423) 14.124 11.530 ( -3.391 3.407 -2.041) 5.222 12.024 ( -10.950 15.725 8.154) 20.825 12.314 ( -2.251 5.373 -4.230) 7.199 12.790 ( 12.785 0.148 -4.616) 13.594 12.908 ( 6.141 -4.496 -6.584) 10.063 13.004 ( 6.661 -6.892 -2.287) 9.854 13.167 ( 7.930 8.045 -1.300) 11.371 13.308 ( 0.707 6.098 -4.997) 7.915 13.609 ( -4.960 -7.320 -10.048) 13.385 13.866 ( 10.528 9.110 7.572) 15.848 14.094 ( -2.695 -1.997 2.624) 4.259 14.319 ( 7.963 -4.197 -4.444) 10.039 14.422 ( 5.366 -5.804 -3.680) 8.719 14.773 ( 13.741 8.456 -6.168) 17.274 14.958 ( 14.091 -3.587 10.896) 18.170 15.283 ( 10.833 14.395 12.567) 21.966 15.466 ( -17.273 -3.218 -10.292) 20.363 15.583 ( -16.738 1.667 -10.968) 20.081 15.655 ( -2.379 0.079 -4.979) 5.519 16.336 ( 8.943 -6.146 -2.228) 11.077 16.812 ( 14.032 5.833 14.039) 20.689 17.299 ( -23.093 7.275 -16.045) 29.046 18.101 ( 7.247 -4.452 13.364) 15.840 18.185 ( 6.018 -2.173 14.060) 15.448 18.302 ( -8.375 3.181 4.242) 9.913 18.608 ( 1.275 -25.533 0.563) 25.571 18.979 ( -14.360 -10.204 -4.761) 18.249 19.048 ( -3.379 -26.092 0.242) 26.311 19.232 ( -10.350 -10.005 -0.158) 14.396 20.808 ( 13.001 16.026 3.918) 21.005 21.009 ( 5.472 14.668 -3.020) 15.944 21.637 ( -0.297 2.180 -1.187) 2.500 21.873 ( -9.142 7.919 -7.985) 14.493 ======================= Grid point 75 (29/120) ======================= q-point: ( 0.33 0.14 0.10) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 22.632 6.403 -0.153) 23.521 2.413 ( 22.965 -6.608 10.006) 25.907 3.094 ( 1.635 1.136 -0.422) 2.035 3.117 ( 4.248 3.335 3.524) 6.449 3.356 ( -4.583 4.626 0.716) 6.552 3.473 ( 0.823 -4.966 -8.763) 10.106 3.686 ( -1.598 -13.270 -2.630) 13.623 3.810 ( -5.760 -4.038 -0.162) 7.036 3.972 ( -2.032 1.567 1.978) 3.240 4.101 ( -2.389 0.686 -4.592) 5.222 4.206 ( -11.169 4.029 -4.341) 12.642 4.336 ( -6.380 -0.487 5.500) 8.438 6.858 ( 11.966 17.147 4.709) 21.433 7.226 ( 22.410 2.406 -0.123) 22.540 7.468 ( 2.955 3.576 14.283) 15.018 8.244 ( -1.184 -1.439 4.902) 5.245 8.330 ( 10.069 -4.096 4.032) 11.594 8.661 ( 12.424 0.397 8.867) 15.269 9.026 ( -7.327 -3.240 1.841) 8.220 9.247 ( -12.597 4.422 1.102) 13.396 9.448 ( 17.800 -12.259 -2.757) 21.789 9.859 ( 13.369 5.642 -7.126) 16.166 10.158 ( -18.617 5.385 -15.472) 24.799 10.562 ( -5.008 -7.261 4.721) 10.004 10.840 ( -2.162 -0.421 7.412) 7.733 10.951 ( -0.809 5.571 0.814) 5.688 11.065 ( 2.999 -7.594 6.402) 10.375 11.425 ( -8.694 2.174 -4.418) 9.991 11.768 ( -12.754 15.859 3.856) 20.713 12.101 ( -16.125 4.643 2.678) 16.992 12.992 ( 5.148 -7.961 -9.960) 13.751 13.054 ( 6.565 -7.459 -6.460) 11.852 13.237 ( 10.163 0.693 -10.732) 14.796 13.291 ( 1.355 4.197 -12.974) 13.703 13.373 ( 13.199 3.457 -3.717) 14.141 13.569 ( 3.292 1.715 0.395) 3.733 13.939 ( -4.912 -0.282 4.236) 6.492 14.210 ( 14.382 9.695 5.258) 18.124 14.387 ( 0.031 -13.272 -1.674) 13.377 14.606 ( 9.170 -1.689 1.929) 9.522 14.926 ( -16.358 1.262 -9.383) 18.900 15.012 ( -3.239 7.076 -4.936) 9.215 15.191 ( -15.135 -2.616 -11.419) 19.139 15.209 ( 9.223 4.491 1.000) 10.307 15.595 ( 2.430 7.058 9.038) 11.722 15.868 ( 28.168 5.097 17.031) 33.309 16.563 ( 4.975 -7.358 -4.378) 9.902 16.838 ( -6.283 8.360 -12.203) 16.071 17.255 ( 21.564 3.938 7.615) 23.206 17.882 ( -23.461 1.566 9.805) 25.475 18.230 ( 2.538 0.177 10.961) 11.252 18.351 ( 3.265 -6.310 14.518) 16.163 18.530 ( -20.567 -7.808 -1.982) 22.088 18.704 ( 1.522 -24.091 -0.437) 24.143 18.867 ( -14.600 -13.999 3.820) 20.585 19.068 ( -4.207 -19.764 1.340) 20.251 21.094 ( 13.479 10.769 -1.733) 17.340 21.148 ( 7.753 13.158 -6.365) 16.546 21.611 ( -2.495 3.180 -3.185) 5.146 21.693 ( -8.484 7.989 -9.362) 14.948 ======================= Grid point 76 (30/120) ======================= q-point: ( 0.44 0.14 0.10) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.576 ( 19.152 1.475 -2.697) 19.397 2.771 ( 8.334 -8.579 4.507) 12.781 3.025 ( -6.512 1.943 -4.627) 8.221 3.082 ( -6.273 -4.257 -0.343) 7.589 3.356 ( 5.432 5.299 0.266) 7.593 3.462 ( -3.030 -0.588 -4.844) 5.743 3.646 ( -0.649 -12.603 -1.126) 12.670 3.684 ( -4.639 -7.735 -1.346) 9.120 3.920 ( -0.832 1.722 -3.296) 3.811 3.981 ( -6.253 3.249 -4.599) 8.415 4.168 ( 2.883 1.287 5.189) 6.074 4.236 ( -3.729 -1.142 8.028) 8.925 7.146 ( 14.527 13.089 6.424) 20.582 7.399 ( -7.788 7.972 10.114) 15.050 7.730 ( 21.889 1.490 2.292) 22.059 8.105 ( -12.701 -1.275 4.547) 13.551 8.525 ( 9.289 -3.176 5.311) 11.162 8.752 ( -12.661 -3.110 4.940) 13.942 8.961 ( 12.538 3.119 4.577) 13.706 9.131 ( -3.785 1.761 1.986) 4.623 9.583 ( 4.610 -4.766 -9.358) 11.469 9.797 ( -15.221 3.565 -15.392) 21.939 10.393 ( 24.346 0.128 -6.125) 25.106 10.500 ( 0.736 -3.608 7.103) 8.001 10.701 ( -1.798 3.884 10.751) 11.572 11.057 ( 0.224 0.012 -2.454) 2.464 11.098 ( -15.884 5.567 -3.711) 17.235 11.151 ( 1.183 -8.117 2.104) 8.468 11.591 ( -1.185 15.629 2.886) 15.938 11.754 ( -14.703 6.511 5.231) 16.910 13.058 ( 2.403 -10.732 -10.380) 15.123 13.103 ( -1.161 -11.419 -9.800) 15.093 13.309 ( 3.588 3.726 -9.182) 10.538 13.368 ( -0.431 1.429 -8.815) 8.940 13.686 ( 9.427 8.836 -0.151) 12.921 13.773 ( 11.286 -2.624 -4.119) 12.297 13.882 ( 6.371 9.495 1.341) 11.512 14.310 ( -19.635 -8.360 -5.086) 21.938 14.420 ( 3.101 -10.982 -2.009) 11.587 14.499 ( 2.073 2.915 -6.985) 7.848 14.799 ( -1.729 -1.071 -5.808) 6.154 14.903 ( -8.277 1.048 0.428) 8.354 15.056 ( 7.706 4.088 10.823) 13.901 15.258 ( -7.030 9.593 12.856) 17.514 15.783 ( 17.370 9.356 -9.622) 21.950 16.202 ( -19.741 9.145 -12.504) 25.094 16.582 ( 32.739 2.179 16.381) 36.673 17.228 ( 13.218 -2.319 1.619) 13.518 17.305 ( -16.092 2.262 10.284) 19.231 17.688 ( 8.426 1.323 2.789) 8.974 18.003 ( -13.607 -8.867 0.377) 16.245 18.234 ( -9.747 -7.739 10.042) 15.992 18.416 ( -0.009 -4.553 11.144) 12.038 18.479 ( -9.765 -5.443 7.640) 13.541 18.861 ( 5.886 -22.690 2.422) 23.565 18.977 ( -4.951 -22.163 1.999) 22.797 21.321 ( 8.847 10.907 -8.611) 16.474 21.348 ( 10.091 7.220 -4.244) 13.114 21.511 ( -8.436 8.867 -9.182) 15.300 21.525 ( -6.264 5.242 -4.686) 9.417 ======================= Grid point 81 (31/120) ======================= q-point: ( 0.00 0.29 0.10) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 0.000 32.095 6.807) 32.809 1.766 ( 0.000 34.383 10.792) 36.037 2.729 ( 0.000 41.398 23.319) 47.514 2.948 ( 0.000 -9.845 -0.612) 9.864 3.193 ( 0.000 -12.169 1.615) 12.276 3.378 ( 0.000 5.145 -5.400) 7.458 3.760 ( 0.000 -0.515 -1.693) 1.770 4.026 ( 0.000 -7.941 -1.004) 8.004 4.134 ( 0.000 5.187 -4.193) 6.669 4.223 ( 0.000 -0.570 -4.174) 4.213 4.653 ( 0.000 -7.233 -1.745) 7.441 4.734 ( 0.000 -11.324 -9.261) 14.629 6.611 ( 0.000 8.025 10.735) 13.402 7.072 ( 0.000 -4.019 10.455) 11.201 7.217 ( 0.000 2.776 14.882) 15.138 7.720 ( 0.000 -9.377 9.802) 13.565 7.864 ( 0.000 4.310 -11.875) 12.632 8.091 ( 0.000 0.702 -0.202) 0.730 8.402 ( 0.000 10.103 -6.751) 12.152 9.272 ( 0.000 9.843 1.540) 9.963 9.618 ( 0.000 -24.783 -6.590) 25.644 10.318 ( 0.000 -21.803 -2.917) 21.997 10.496 ( 0.000 5.189 -9.970) 11.240 10.497 ( 0.000 3.018 -8.942) 9.438 10.973 ( 0.000 7.564 4.922) 9.025 11.108 ( 0.000 12.618 2.351) 12.835 11.182 ( 0.000 -5.035 13.012) 13.953 11.804 ( 0.000 3.035 -11.268) 11.670 12.242 ( 0.000 4.870 -1.485) 5.091 12.554 ( 0.000 12.128 13.505) 18.151 12.587 ( 0.000 2.325 8.852) 9.153 12.772 ( 0.000 2.257 -3.258) 3.963 12.830 ( 0.000 -2.712 1.261) 2.990 12.971 ( 0.000 -4.143 7.049) 8.177 13.271 ( 0.000 0.776 1.033) 1.292 13.546 ( 0.000 8.651 9.563) 12.895 13.624 ( 0.000 -10.629 -9.245) 14.087 14.007 ( 0.000 -4.113 -9.801) 10.629 14.052 ( 0.000 -4.723 -5.075) 6.933 14.161 ( 0.000 -9.624 4.239) 10.516 14.536 ( 0.000 0.185 17.459) 17.460 14.573 ( 0.000 4.152 10.504) 11.295 15.539 ( 0.000 21.183 1.948) 21.272 15.688 ( 0.000 3.808 -14.153) 14.656 15.762 ( 0.000 -4.115 -28.554) 28.849 16.080 ( 0.000 6.614 -10.403) 12.328 16.290 ( 0.000 4.245 0.911) 4.342 16.804 ( 0.000 -1.636 10.678) 10.803 17.254 ( 0.000 -15.326 20.632) 25.701 17.792 ( 0.000 -32.020 2.444) 32.113 18.155 ( 0.000 3.755 11.366) 11.970 18.292 ( 0.000 2.030 -2.260) 3.038 18.457 ( 0.000 0.678 -22.399) 22.410 18.577 ( 0.000 -4.561 -2.424) 5.165 19.080 ( 0.000 -13.091 4.839) 13.957 19.231 ( 0.000 -8.303 -11.296) 14.019 21.008 ( 0.000 25.269 7.355) 26.318 21.219 ( 0.000 15.879 2.010) 16.005 21.652 ( 0.000 0.237 1.248) 1.270 22.161 ( 0.000 -10.516 -4.512) 11.443 ======================= Grid point 82 (32/120) ======================= q-point: ( 0.11 0.29 0.10) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 9.745 26.876 8.431) 29.805 1.821 ( 6.676 30.639 11.601) 33.435 2.935 ( 7.328 8.091 5.730) 12.329 2.980 ( 10.835 15.167 10.522) 21.405 3.181 ( 0.055 -12.225 1.641) 12.335 3.372 ( -0.515 2.747 -6.467) 7.045 3.729 ( -3.248 -0.939 -1.939) 3.898 3.960 ( -5.726 -7.366 -0.381) 9.337 4.129 ( -0.491 5.081 -3.618) 6.257 4.202 ( -1.949 -0.147 -4.338) 4.758 4.597 ( -5.222 -6.143 -1.393) 8.182 4.665 ( -6.381 -8.239 -8.086) 13.190 6.676 ( 6.790 7.579 8.018) 12.955 7.112 ( 4.190 2.596 7.246) 8.763 7.252 ( 1.799 9.971 12.253) 15.900 7.785 ( 2.338 1.381 1.986) 3.364 7.958 ( 16.425 -12.211 7.076) 21.655 8.146 ( 3.003 -1.368 -2.273) 4.007 8.484 ( 8.269 7.605 -0.996) 11.278 9.251 ( -2.205 9.108 1.398) 9.475 9.613 ( -0.223 -22.772 -5.994) 23.549 10.032 ( -18.229 -9.169 -4.346) 20.863 10.490 ( -0.421 -0.485 -7.380) 7.408 10.675 ( 7.617 -6.397 -5.778) 11.503 10.945 ( -4.049 3.098 7.720) 9.251 11.019 ( -6.592 17.493 -3.858) 19.087 11.159 ( -1.426 -4.376 10.986) 11.911 11.727 ( -7.337 2.091 -3.554) 8.416 12.301 ( 4.877 5.217 -6.168) 9.436 12.549 ( 0.715 10.086 4.470) 11.055 12.610 ( 2.168 3.689 6.368) 7.672 12.748 ( -0.811 0.732 -4.024) 4.169 12.875 ( 1.875 -4.285 1.494) 4.910 13.097 ( 10.856 3.450 6.203) 12.970 13.341 ( 5.010 2.053 -3.566) 6.484 13.529 ( -2.513 -7.187 -10.431) 12.914 13.753 ( 11.048 2.570 11.960) 16.483 14.001 ( 1.409 -4.390 -6.972) 8.359 14.156 ( 6.969 -6.668 -1.181) 9.717 14.199 ( 1.983 -5.355 -0.056) 5.711 14.604 ( 9.566 -0.239 17.752) 20.167 14.649 ( 6.957 3.621 7.646) 10.953 15.564 ( 0.786 12.599 0.251) 12.626 15.634 ( -2.145 12.308 -9.799) 15.878 15.710 ( -6.586 -2.560 -23.094) 24.150 15.989 ( -9.046 1.599 -11.924) 15.052 16.184 ( -8.844 -3.165 -2.757) 9.789 16.784 ( 5.916 9.038 18.440) 21.371 17.532 ( 18.339 -17.947 14.217) 29.335 17.775 ( -4.963 -16.924 -3.750) 18.031 17.987 ( -9.990 -7.839 1.766) 12.821 18.236 ( -0.977 3.511 6.972) 7.867 18.512 ( -1.207 -9.159 -7.889) 12.148 18.580 ( -0.073 -1.484 -5.593) 5.787 19.006 ( -7.077 -13.766 0.920) 15.506 19.187 ( -4.601 -8.789 -5.843) 11.514 21.048 ( 3.893 23.913 5.387) 24.820 21.242 ( 2.248 15.630 0.617) 15.803 21.661 ( 0.781 0.515 0.493) 1.057 22.086 ( -6.146 -6.779 -5.131) 10.491 ======================= Grid point 83 (33/120) ======================= q-point: ( 0.22 0.29 0.10) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 14.519 16.176 9.621) 23.770 2.066 ( 15.878 19.616 8.174) 26.528 2.964 ( 0.729 -8.691 -0.564) 8.739 3.147 ( 1.750 -1.663 1.988) 3.127 3.344 ( 8.147 4.385 3.373) 9.848 3.367 ( 2.430 -2.906 -5.621) 6.778 3.609 ( -8.385 -2.081 -2.960) 9.132 3.830 ( -5.882 -5.615 2.988) 8.664 4.108 ( -2.106 5.877 -0.410) 6.256 4.155 ( -1.630 1.593 -6.005) 6.423 4.446 ( -8.867 -3.545 -0.548) 9.566 4.494 ( -9.098 -2.418 -5.498) 10.902 6.910 ( 15.565 6.621 4.003) 17.382 7.193 ( 2.374 26.499 1.073) 26.627 7.327 ( 7.874 -2.312 15.214) 17.286 7.980 ( 14.177 -2.225 8.236) 16.546 8.200 ( 2.214 -2.229 -0.765) 3.233 8.332 ( 16.681 -7.603 7.856) 19.944 8.790 ( 21.308 -0.303 3.084) 21.532 9.172 ( -5.588 5.982 0.595) 8.208 9.607 ( -9.755 -9.437 -2.804) 13.859 9.662 ( -5.957 -11.507 -2.520) 13.201 10.464 ( -2.736 -3.900 -3.916) 6.167 10.719 ( -11.332 3.809 -5.775) 13.276 10.777 ( -0.337 -0.061 -1.119) 1.170 10.950 ( -1.047 6.845 2.980) 7.539 11.131 ( -2.392 -0.692 6.033) 6.527 11.555 ( -7.327 -0.649 -1.964) 7.613 12.322 ( -6.587 12.801 0.860) 14.422 12.466 ( -5.453 9.792 -1.649) 11.329 12.778 ( 7.737 -2.485 -6.297) 10.281 12.795 ( 4.195 -5.812 -6.505) 9.679 12.929 ( 7.517 0.681 3.393) 8.275 13.301 ( 6.316 0.160 -3.920) 7.436 13.455 ( -0.035 5.017 -14.473) 15.318 13.464 ( 5.021 0.488 -0.728) 5.097 13.888 ( -0.271 -4.132 -0.002) 4.141 14.155 ( 7.978 -4.794 8.708) 12.746 14.190 ( 5.067 1.568 11.734) 12.877 14.334 ( 8.034 -3.990 -1.818) 9.152 14.858 ( 11.033 0.610 -2.882) 11.420 14.945 ( 20.706 1.740 7.585) 22.119 15.399 ( -15.908 -0.297 -10.157) 18.876 15.600 ( 0.118 -4.529 -5.650) 7.242 15.605 ( -17.240 7.397 -11.064) 21.779 15.761 ( 7.111 24.366 5.599) 25.993 16.166 ( 5.483 -10.668 -1.968) 12.155 16.998 ( 12.057 12.451 12.109) 21.143 17.476 ( -17.841 10.142 -10.175) 22.906 17.876 ( 12.694 -25.364 8.830) 29.706 17.974 ( 4.699 -23.515 10.780) 26.291 18.206 ( -2.548 3.542 4.247) 6.088 18.448 ( -7.530 0.649 0.217) 7.561 18.480 ( -5.719 -20.593 2.686) 21.540 18.778 ( -15.041 -12.424 -5.880) 20.375 19.031 ( -10.187 -10.243 2.478) 14.657 21.172 ( 7.745 19.769 0.801) 21.247 21.311 ( 4.315 14.732 -2.487) 15.551 21.678 ( 0.628 1.378 -1.370) 2.043 21.946 ( -6.731 -1.373 -6.955) 9.775 ======================= Grid point 84 (34/120) ======================= q-point: ( 0.33 0.29 0.10) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( 16.238 7.627 4.633) 18.528 2.415 ( 16.042 7.796 6.589) 19.014 2.981 ( 0.656 -7.579 -1.722) 7.800 3.197 ( 2.838 -2.858 -1.038) 4.159 3.339 ( -5.403 -6.931 -8.113) 11.961 3.403 ( -4.187 -11.226 -4.409) 12.767 3.457 ( -1.599 2.559 2.711) 4.057 3.709 ( -6.327 -5.868 5.567) 10.269 4.029 ( -4.461 4.539 -1.346) 6.505 4.142 ( -1.600 3.724 -2.008) 4.523 4.257 ( -7.768 0.480 -1.403) 7.909 4.323 ( -6.795 -0.767 -1.172) 6.938 7.267 ( 11.208 15.715 2.763) 19.499 7.317 ( 16.286 13.773 5.075) 21.924 7.521 ( 8.998 0.968 14.654) 17.224 8.190 ( -0.299 -4.412 5.012) 6.684 8.287 ( 9.744 0.815 3.199) 10.288 8.673 ( 16.627 -0.738 6.624) 17.913 8.995 ( -11.753 0.290 0.035) 11.756 9.225 ( 10.213 -5.702 0.026) 11.697 9.290 ( -5.687 -2.753 1.782) 6.565 9.860 ( 19.905 -6.948 -3.037) 21.301 10.329 ( -13.376 9.816 -9.472) 19.105 10.466 ( -6.111 0.824 -4.727) 7.770 10.828 ( 2.348 -3.466 3.439) 5.418 10.928 ( -2.380 -2.965 6.925) 7.900 11.053 ( -2.446 3.414 -0.418) 4.221 11.424 ( -7.410 -2.083 -5.723) 9.592 12.105 ( -11.616 16.873 0.943) 20.506 12.245 ( -14.730 9.973 2.837) 18.014 12.818 ( -0.757 -9.697 -9.041) 13.279 12.883 ( 1.831 -9.079 -6.733) 11.451 13.226 ( 16.676 0.304 -2.113) 16.813 13.360 ( 2.618 1.076 -10.621) 10.991 13.521 ( 5.784 7.001 -7.942) 12.064 13.619 ( 7.716 6.644 0.616) 10.201 13.904 ( 5.040 -2.963 2.355) 6.303 14.121 ( -4.106 -10.906 5.012) 12.685 14.369 ( 2.414 -0.163 -2.979) 3.838 14.566 ( 11.671 -0.992 10.555) 15.767 14.941 ( -7.720 1.814 -11.857) 14.264 15.079 ( -5.530 2.029 -4.176) 7.221 15.137 ( -13.816 2.062 -6.119) 15.251 15.460 ( 9.783 9.265 -2.489) 13.702 15.675 ( 9.159 4.568 2.329) 10.496 16.084 ( 22.669 18.356 15.839) 33.192 16.400 ( 15.521 -9.281 -2.058) 18.201 17.038 ( -11.064 12.223 -10.552) 19.574 17.365 ( 12.437 6.568 9.257) 16.838 17.902 ( -18.275 -0.815 9.046) 20.408 18.045 ( 4.477 -31.317 2.955) 31.773 18.217 ( 1.462 -8.242 10.300) 13.273 18.242 ( -3.211 -6.563 7.864) 10.734 18.375 ( -19.950 -14.579 -7.448) 25.807 18.433 ( -3.522 -17.154 6.685) 18.744 18.778 ( -13.353 -11.460 5.450) 18.421 21.350 ( 8.767 14.277 -3.249) 17.066 21.418 ( 5.743 12.950 -5.509) 15.199 21.677 ( -0.901 2.970 -3.450) 4.641 21.811 ( -6.273 2.890 -8.366) 10.849 ======================= Grid point 85 (35/120) ======================= q-point: ( 0.44 0.29 0.10) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.599 ( 13.251 0.701 1.850) 13.397 2.678 ( 7.247 0.164 3.498) 8.048 2.976 ( -0.597 -4.499 -4.427) 6.340 3.083 ( -11.123 0.453 -7.138) 13.224 3.308 ( 4.248 -9.997 -3.307) 11.355 3.390 ( -2.566 -9.298 3.819) 10.375 3.441 ( 3.240 -2.293 -0.971) 4.087 3.564 ( -7.135 -5.313 4.497) 9.968 3.973 ( 0.084 4.127 -2.381) 4.766 4.040 ( -5.733 3.542 -2.324) 7.128 4.184 ( -0.424 -0.270 1.357) 1.447 4.216 ( -3.431 -1.047 1.183) 3.777 7.464 ( 9.093 17.786 6.571) 21.029 7.576 ( 0.629 8.975 11.232) 14.391 7.767 ( 17.186 2.052 7.089) 18.703 8.071 ( -10.541 -2.513 6.306) 12.538 8.480 ( 9.176 -0.210 4.055) 10.034 8.708 ( -12.941 -0.377 3.274) 13.354 8.968 ( 9.061 -5.041 2.504) 10.667 9.099 ( -5.570 -5.692 0.765) 8.000 9.561 ( 17.074 5.746 -5.163) 18.740 9.958 ( -19.281 13.199 -13.346) 26.909 10.375 ( 19.995 -5.458 -6.870) 21.836 10.462 ( 3.988 1.788 -1.180) 4.527 10.761 ( -1.029 2.097 9.141) 9.434 10.971 ( -0.104 -8.633 -0.900) 8.680 11.020 ( -1.350 -4.485 -1.647) 4.965 11.174 ( -14.010 0.553 -1.008) 14.057 11.919 ( -4.207 16.746 0.973) 17.293 11.972 ( -9.000 15.740 3.958) 18.558 12.811 ( 1.150 -13.367 -7.270) 15.260 12.863 ( -2.859 -12.817 -6.135) 14.495 13.424 ( 3.283 6.307 -9.185) 11.616 13.453 ( 1.784 6.215 -7.770) 10.108 13.705 ( 12.842 -1.890 0.776) 13.003 13.814 ( 9.974 5.832 -1.166) 11.613 13.971 ( -4.189 -6.243 8.764) 11.547 14.161 ( 4.511 -1.087 -8.080) 9.318 14.225 ( -4.108 -9.377 -4.055) 11.011 14.595 ( -19.863 -5.900 -10.988) 23.454 14.753 ( 7.407 9.528 -5.508) 13.266 14.928 ( -7.918 4.045 -6.175) 10.825 15.182 ( 11.853 5.838 13.046) 18.568 15.423 ( -9.163 3.245 12.524) 15.853 16.043 ( 20.232 17.966 -11.709) 29.483 16.430 ( -14.779 13.687 -11.514) 23.202 16.672 ( 31.778 7.808 17.502) 37.109 17.162 ( 20.088 -4.885 -1.572) 20.733 17.360 ( -24.005 3.428 12.118) 27.107 17.696 ( 13.423 -3.598 7.064) 15.589 17.792 ( -27.061 -10.723 -2.146) 29.187 17.990 ( -11.348 -17.531 3.565) 21.186 18.258 ( 5.543 -14.893 5.843) 16.931 18.347 ( 1.687 -10.642 8.842) 13.938 18.395 ( 0.378 -14.870 9.301) 17.543 18.521 ( -9.981 -19.544 5.771) 22.691 21.516 ( 6.730 9.391 -5.188) 12.664 21.543 ( 5.956 10.124 -7.473) 13.922 21.633 ( -3.323 5.580 -4.966) 8.175 21.681 ( -6.187 6.675 -8.528) 12.473 ======================= Grid point 90 (36/120) ======================= q-point: ( 0.00 0.43 0.10) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( 0.000 27.831 0.870) 27.845 2.384 ( 0.000 28.180 5.712) 28.753 2.649 ( 0.000 -19.886 -0.985) 19.910 2.866 ( 0.000 -20.221 3.519) 20.525 3.381 ( 0.000 21.306 3.289) 21.559 3.510 ( 0.000 5.402 -6.123) 8.165 3.751 ( 0.000 0.333 1.667) 1.700 3.850 ( 0.000 -9.082 2.773) 9.496 4.220 ( 0.000 7.454 -5.311) 9.153 4.324 ( 0.000 8.431 -2.077) 8.683 4.466 ( 0.000 -15.279 -4.652) 15.971 4.495 ( 0.000 -8.839 -2.163) 9.100 6.771 ( 0.000 8.748 12.568) 15.313 6.943 ( 0.000 -8.434 13.306) 15.753 7.325 ( 0.000 7.814 11.114) 13.586 7.509 ( 0.000 -10.781 9.938) 14.662 7.996 ( 0.000 6.632 -7.133) 9.740 8.082 ( 0.000 -2.091 -3.701) 4.251 8.670 ( 0.000 18.143 -5.771) 19.039 9.107 ( 0.000 -25.778 -4.310) 26.136 9.528 ( 0.000 16.245 0.769) 16.264 9.894 ( 0.000 -20.889 -0.846) 20.906 10.542 ( 0.000 1.294 -12.094) 12.163 10.546 ( 0.000 0.839 -12.851) 12.878 11.048 ( 0.000 3.092 14.698) 15.020 11.105 ( 0.000 -3.096 14.653) 14.976 11.491 ( 0.000 19.696 -9.763) 21.982 11.765 ( 0.000 -7.724 -12.797) 14.947 12.389 ( 0.000 10.192 -1.213) 10.264 12.582 ( 0.000 -5.752 3.393) 6.678 12.670 ( 0.000 1.800 9.777) 9.941 12.715 ( 0.000 -5.345 5.582) 7.728 12.874 ( 0.000 5.592 3.996) 6.873 12.933 ( 0.000 -1.142 6.911) 7.005 13.318 ( 0.000 4.375 -1.674) 4.685 13.438 ( 0.000 -7.863 -6.456) 10.174 13.734 ( 0.000 10.429 8.258) 13.302 13.928 ( 0.000 -2.505 -9.753) 10.070 13.946 ( 0.000 -7.808 -10.978) 13.472 13.950 ( 0.000 -8.058 12.943) 15.246 14.572 ( 0.000 2.651 19.270) 19.452 14.607 ( 0.000 -0.342 15.962) 15.966 15.644 ( 0.000 0.502 -22.492) 22.498 15.681 ( 0.000 -3.446 -28.026) 28.237 16.165 ( 0.000 33.001 3.258) 33.162 16.214 ( 0.000 6.514 -8.067) 10.369 16.315 ( 0.000 -1.703 -5.217) 5.488 16.826 ( 0.000 -30.164 9.490) 31.621 16.888 ( 0.000 10.770 16.541) 19.738 17.211 ( 0.000 -23.309 13.925) 27.152 18.285 ( 0.000 8.742 7.275) 11.373 18.366 ( 0.000 4.687 -8.507) 9.713 18.448 ( 0.000 -2.901 -14.685) 14.969 18.458 ( 0.000 -7.966 0.955) 8.023 18.956 ( 0.000 0.983 -2.807) 2.974 19.063 ( 0.000 -8.225 -9.945) 12.906 21.472 ( 0.000 15.407 2.122) 15.553 21.486 ( 0.000 17.691 2.912) 17.929 21.618 ( 0.000 -4.188 1.277) 4.378 21.879 ( 0.000 -17.897 -0.067) 17.898 ======================= Grid point 91 (37/120) ======================= q-point: ( 0.11 0.43 0.10) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( 3.825 25.939 1.109) 26.243 2.391 ( 1.556 26.771 7.016) 27.719 2.669 ( 1.737 -18.847 -0.637) 18.938 2.864 ( 0.220 -20.269 4.089) 20.679 3.418 ( 1.625 12.009 -1.092) 12.168 3.466 ( -3.647 4.868 -6.509) 8.908 3.720 ( -3.123 0.919 1.533) 3.598 3.808 ( -3.469 -7.314 3.894) 8.982 4.234 ( 1.369 8.884 -4.737) 10.160 4.303 ( -1.986 7.963 -1.896) 8.424 4.455 ( -2.561 -9.692 -2.293) 10.284 4.467 ( -1.656 -10.352 -4.192) 11.291 6.833 ( 6.532 8.699 10.114) 14.854 7.004 ( 6.236 -8.354 12.086) 15.961 7.487 ( 13.642 10.828 10.181) 20.174 7.702 ( 16.540 -11.491 10.161) 22.558 7.950 ( -2.382 9.695 -3.849) 10.700 8.094 ( 0.820 -4.601 -3.115) 5.616 8.708 ( 4.495 16.419 -1.984) 17.139 9.124 ( 2.267 -25.053 -2.380) 25.268 9.480 ( -4.805 13.904 0.847) 14.735 9.775 ( -10.564 -15.495 -0.916) 18.776 10.510 ( -2.120 2.343 -10.554) 11.017 10.574 ( 1.401 -4.121 -10.241) 11.128 11.012 ( -3.100 3.316 11.536) 12.397 11.072 ( -2.539 -3.026 12.215) 12.838 11.425 ( -6.423 18.927 -7.313) 21.283 11.686 ( -7.725 -7.213 -6.860) 12.600 12.419 ( 3.403 7.052 -4.945) 9.261 12.550 ( 1.317 -4.890 -1.419) 5.259 12.681 ( 3.171 2.406 3.728) 5.454 12.759 ( 3.274 -5.589 2.624) 6.989 12.926 ( -0.381 11.725 2.337) 11.962 13.102 ( 7.770 -4.715 5.202) 10.472 13.375 ( 6.881 1.521 -5.815) 9.136 13.409 ( 1.923 -3.141 -9.702) 10.377 13.852 ( 7.036 5.631 15.224) 17.692 13.918 ( 0.811 -3.178 1.078) 3.452 14.012 ( 5.306 -4.152 -3.646) 7.661 14.073 ( 9.973 -7.544 3.476) 12.979 14.645 ( 8.288 3.045 15.037) 17.437 14.681 ( 7.390 -0.223 12.567) 14.580 15.591 ( -4.534 0.531 -17.400) 17.989 15.625 ( -5.720 -3.058 -23.694) 24.565 16.021 ( -11.325 2.705 -5.920) 13.062 16.086 ( -14.759 -2.609 -2.875) 15.261 16.250 ( 3.815 33.575 0.935) 33.804 16.961 ( 5.998 -31.676 3.233) 32.400 17.041 ( 14.150 9.987 15.904) 23.514 17.357 ( 12.426 -18.109 14.741) 26.451 18.082 ( -15.574 8.521 -4.135) 18.228 18.249 ( -7.861 -6.994 -0.454) 10.532 18.407 ( -3.327 5.040 -3.457) 6.958 18.555 ( 2.268 -6.589 -6.097) 9.259 18.877 ( -7.415 2.559 -1.376) 7.963 19.011 ( -5.373 -8.901 -5.462) 11.744 21.489 ( 1.544 18.088 1.178) 18.192 21.498 ( 1.369 12.769 0.776) 12.866 21.634 ( 1.448 -3.443 0.612) 3.785 21.860 ( -1.614 -15.711 -1.489) 15.863 ======================= Grid point 92 (38/120) ======================= q-point: ( 0.22 0.43 0.10) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( 6.011 20.516 2.680) 21.546 2.478 ( 6.497 20.222 5.982) 22.066 2.716 ( 2.879 -15.562 0.363) 15.830 2.894 ( 2.791 -18.443 5.863) 19.552 3.357 ( -4.973 1.878 -9.131) 10.566 3.403 ( -4.641 -1.347 -7.169) 8.645 3.629 ( -5.107 3.634 2.513) 6.752 3.720 ( -5.003 -5.413 5.157) 8.996 4.234 ( -4.028 6.637 -0.837) 7.809 4.266 ( 0.170 8.296 -4.250) 9.323 4.356 ( -6.128 -5.602 -0.752) 8.337 4.413 ( -4.245 -6.004 -4.597) 8.672 7.053 ( 14.180 7.858 7.490) 17.859 7.204 ( 12.390 -7.205 11.404) 18.316 7.708 ( 3.525 21.885 1.322) 22.207 7.991 ( 9.630 -2.208 6.056) 11.588 8.108 ( 10.587 -4.341 0.521) 11.454 8.181 ( 16.450 -6.502 8.841) 19.775 8.897 ( 14.186 12.084 2.393) 18.788 9.235 ( 8.100 -18.793 0.508) 20.470 9.328 ( -8.326 6.180 1.164) 10.434 9.496 ( -15.084 -8.761 0.175) 17.445 10.467 ( -1.653 3.848 -7.479) 8.572 10.588 ( 0.123 -7.906 -6.410) 10.179 10.921 ( -6.214 6.194 4.604) 9.908 11.011 ( -3.879 -2.624 6.093) 7.685 11.267 ( -6.870 13.795 -3.469) 15.796 11.488 ( -9.415 -7.196 -4.563) 12.698 12.503 ( 2.007 6.786 -6.107) 9.347 12.600 ( -1.558 -0.972 -4.857) 5.193 12.709 ( -3.555 1.211 -2.009) 4.259 12.749 ( -1.044 -1.453 -3.023) 3.513 13.006 ( 9.420 6.589 2.345) 11.733 13.164 ( 4.216 -9.013 -2.627) 10.291 13.506 ( 4.854 4.126 -8.182) 10.370 13.570 ( 8.230 -0.213 -9.503) 12.573 13.864 ( -0.378 3.878 3.180) 5.029 13.989 ( 1.587 -7.653 3.788) 8.685 14.233 ( 14.137 0.282 16.207) 21.508 14.268 ( 7.183 -2.871 8.262) 11.318 14.887 ( 11.928 2.910 -1.101) 12.327 14.945 ( 16.417 -2.072 4.613) 17.178 15.426 ( -11.088 2.848 -8.142) 14.048 15.501 ( -5.321 -4.805 -7.655) 10.489 15.749 ( -8.215 8.811 -8.273) 14.614 15.948 ( 1.538 -11.159 -4.573) 12.157 16.371 ( 7.747 35.658 3.745) 36.681 17.073 ( 5.481 -29.197 3.037) 29.862 17.357 ( 14.557 6.187 12.332) 20.057 17.631 ( 11.182 -13.420 11.569) 20.952 17.738 ( -15.518 10.449 -2.350) 18.855 18.036 ( -11.367 -18.436 -1.432) 21.706 18.321 ( -5.711 7.672 -0.642) 9.586 18.495 ( -8.325 -8.413 -5.397) 13.008 18.657 ( -13.014 6.306 3.424) 14.861 18.833 ( -11.276 -10.025 3.020) 15.388 21.535 ( 2.980 16.371 -2.325) 16.802 21.546 ( 3.067 9.010 -2.262) 9.783 21.671 ( 1.865 -2.129 -1.308) 3.118 21.823 ( -1.761 -10.752 -4.342) 11.729 ======================= Grid point 93 (39/120) ======================= q-point: ( 0.33 0.43 0.10) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( 8.748 13.082 2.440) 15.926 2.626 ( 6.954 9.269 2.078) 11.772 2.797 ( 4.343 -8.744 2.503) 10.079 2.962 ( 2.823 -15.535 6.530) 17.087 3.271 ( -5.732 -1.759 -9.310) 11.074 3.278 ( -2.438 -2.026 -8.794) 9.348 3.514 ( -5.932 3.323 2.745) 7.332 3.598 ( -6.572 -5.222 5.283) 9.918 4.132 ( -4.940 5.407 -1.105) 7.407 4.222 ( -5.369 -2.925 -0.424) 6.129 4.230 ( -4.514 3.931 -2.208) 6.380 4.298 ( -6.155 -2.275 -3.981) 7.675 7.394 ( 17.450 5.492 7.772) 19.876 7.488 ( 13.803 -3.618 12.109) 18.714 7.756 ( 2.970 20.562 3.751) 21.111 8.056 ( -0.465 -10.260 3.367) 10.809 8.369 ( 11.214 7.524 5.321) 14.514 8.558 ( 14.721 -10.227 6.041) 18.915 9.054 ( -13.901 5.542 -0.343) 14.969 9.173 ( -11.692 -5.393 0.571) 12.889 9.303 ( 20.468 10.494 2.372) 23.123 9.604 ( 24.067 -17.099 0.667) 29.531 10.456 ( 0.742 6.205 -5.672) 8.439 10.563 ( -5.208 -0.834 -9.180) 10.587 10.764 ( -4.645 3.848 0.847) 6.091 10.891 ( -7.855 -4.822 2.814) 9.637 11.150 ( -5.502 8.402 -1.199) 10.114 11.330 ( -7.060 -7.937 -5.240) 11.845 12.388 ( -10.500 12.566 -3.163) 16.678 12.475 ( -7.877 12.358 0.633) 14.669 12.619 ( -6.384 -10.765 -6.574) 14.137 12.699 ( -3.010 -10.189 -2.963) 11.030 13.268 ( 14.098 3.966 1.766) 14.752 13.345 ( 11.354 -2.607 -1.335) 11.725 13.610 ( 5.092 4.108 -8.385) 10.635 13.701 ( 6.835 -3.302 -12.152) 14.328 13.911 ( 4.160 5.036 -1.778) 6.770 13.979 ( -2.478 -3.336 2.319) 4.759 14.330 ( -1.940 0.869 6.678) 7.008 14.458 ( 4.367 -9.547 8.586) 13.562 15.053 ( 3.238 7.559 -7.002) 10.800 15.119 ( 0.264 0.784 -3.232) 3.336 15.222 ( -9.501 6.121 -4.042) 12.003 15.395 ( -1.360 -9.983 0.907) 10.116 15.914 ( 22.271 15.464 -1.386) 27.149 16.192 ( 21.670 -12.433 -1.125) 25.008 16.577 ( 12.197 30.970 7.770) 34.180 17.200 ( 6.683 -23.732 3.746) 24.938 17.352 ( -15.513 10.517 -6.615) 19.875 17.650 ( 3.724 -1.417 6.855) 7.929 17.752 ( -1.025 -13.169 4.402) 13.923 17.891 ( -1.149 -13.945 12.979) 19.085 18.128 ( -10.270 0.122 2.357) 10.537 18.202 ( -18.984 -6.356 -3.799) 20.377 18.414 ( -8.479 6.279 8.378) 13.472 18.574 ( -12.928 -9.587 7.358) 17.697 21.607 ( 3.655 10.753 -5.337) 12.549 21.617 ( 3.542 7.382 -4.900) 9.542 21.704 ( 1.124 -0.421 -3.682) 3.873 21.788 ( -1.727 -5.192 -6.520) 8.512 ======================= Grid point 94 (40/120) ======================= q-point: ( 0.44 0.43 0.10) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.662 ( 8.237 6.603 1.125) 10.617 2.744 ( 2.612 5.114 0.922) 5.817 2.851 ( 1.701 -7.590 -1.812) 7.986 2.948 ( -5.001 -11.695 -1.440) 12.800 3.235 ( 3.843 2.541 -2.459) 5.223 3.297 ( 2.581 -1.877 1.902) 3.715 3.390 ( -4.830 -1.040 -0.012) 4.941 3.454 ( -6.967 -5.669 4.282) 9.950 4.067 ( -0.501 4.907 -1.709) 5.220 4.118 ( -4.781 3.918 -2.122) 6.536 4.149 ( -1.163 -3.007 -0.457) 3.256 4.185 ( -4.135 -2.426 -2.152) 5.255 7.713 ( 9.825 4.899 11.231) 15.705 7.744 ( 10.154 5.099 8.080) 13.943 7.823 ( 3.531 7.650 10.308) 13.314 7.989 ( -6.641 -6.354 7.718) 12.002 8.554 ( 8.177 8.125 3.096) 11.935 8.763 ( -7.149 1.219 1.271) 7.363 8.774 ( 1.976 -7.454 2.528) 8.115 8.936 ( -9.474 -9.817 0.700) 13.661 9.809 ( 24.820 17.399 -5.645) 30.833 10.146 ( 22.855 -13.988 -7.086) 27.717 10.275 ( -16.928 14.161 -12.166) 25.201 10.489 ( -5.262 -3.509 -8.797) 10.834 10.760 ( 1.891 -0.485 3.690) 4.175 10.837 ( 8.840 -5.893 3.849) 11.300 10.980 ( -11.382 3.636 -0.849) 11.979 11.107 ( -14.205 -6.716 0.959) 15.742 12.239 ( -1.911 16.249 -0.363) 16.365 12.303 ( -6.843 16.621 0.828) 17.994 12.542 ( -0.219 -14.562 -3.537) 14.987 12.603 ( -5.041 -14.150 -2.485) 15.225 13.531 ( 9.643 4.822 -2.421) 11.050 13.562 ( 7.092 3.399 -3.593) 8.647 13.707 ( 3.428 1.175 -3.300) 4.901 13.788 ( -2.880 -8.066 -3.091) 9.106 13.956 ( 5.303 7.145 -5.628) 10.528 14.071 ( 10.649 -5.788 -5.128) 13.161 14.183 ( -9.394 3.602 -1.291) 10.143 14.367 ( -11.574 -12.984 -4.888) 18.067 15.053 ( -0.547 15.752 -2.961) 16.037 15.078 ( -2.951 10.379 -2.915) 11.177 15.212 ( 6.638 -3.328 6.666) 9.979 15.339 ( -4.734 -10.824 6.101) 13.296 16.451 ( 24.141 21.282 -9.003) 33.418 16.674 ( 14.096 5.101 -5.650) 16.020 16.891 ( 17.510 14.248 11.750) 25.450 17.067 ( -5.869 -0.999 -6.981) 9.175 17.339 ( 2.407 -12.327 6.603) 14.190 17.467 ( -9.612 -22.218 -2.018) 24.292 17.549 ( -18.830 1.119 11.740) 22.218 17.705 ( -18.667 -11.844 9.505) 24.064 18.037 ( 10.953 0.596 6.109) 12.555 18.149 ( 6.202 -8.520 9.141) 13.950 18.273 ( -6.519 -2.226 9.080) 11.398 18.304 ( -12.486 -5.073 7.003) 15.188 21.675 ( 2.564 6.169 -6.312) 9.191 21.686 ( 2.832 4.220 -6.648) 8.368 21.712 ( -0.299 2.058 -5.610) 5.983 21.746 ( -2.294 -0.143 -7.299) 7.653 ======================= Grid point 126 (41/120) ======================= q-point: ( 0.00 0.00 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 0.000 0.000 32.934) 32.934 1.563 ( 0.000 0.000 36.177) 36.177 2.426 ( 0.000 0.000 49.112) 49.112 3.077 ( 0.000 0.000 4.018) 4.018 3.144 ( 0.000 0.000 -14.122) 14.122 3.445 ( 0.000 0.000 1.261) 1.261 3.769 ( 0.000 0.000 0.046) 0.046 3.962 ( 0.000 0.000 -2.046) 2.046 4.108 ( 0.000 0.000 -5.542) 5.542 4.170 ( 0.000 0.000 -9.131) 9.131 4.621 ( 0.000 0.000 -19.349) 19.349 4.768 ( 0.000 0.000 -2.752) 2.752 6.334 ( 0.000 0.000 7.973) 7.973 7.243 ( 0.000 0.000 9.738) 9.738 7.638 ( 0.000 0.000 18.742) 18.742 7.901 ( 0.000 0.000 -7.427) 7.427 8.103 ( 0.000 0.000 12.821) 12.821 8.188 ( 0.000 0.000 -1.183) 1.183 8.223 ( 0.000 0.000 15.334) 15.334 9.134 ( 0.000 0.000 1.651) 1.651 9.933 ( 0.000 0.000 -17.650) 17.650 9.943 ( 0.000 0.000 -11.534) 11.534 10.250 ( 0.000 0.000 -8.964) 8.964 10.763 ( 0.000 0.000 10.734) 10.734 10.821 ( 0.000 0.000 -9.432) 9.432 11.199 ( 0.000 0.000 -10.487) 10.487 11.361 ( 0.000 0.000 0.332) 0.332 11.702 ( 0.000 0.000 3.319) 3.319 12.118 ( 0.000 0.000 -7.282) 7.282 12.370 ( 0.000 0.000 18.289) 18.289 12.719 ( 0.000 0.000 0.291) 0.291 12.746 ( 0.000 0.000 -1.300) 1.300 12.802 ( 0.000 0.000 16.519) 16.519 13.251 ( 0.000 0.000 -2.195) 2.195 13.460 ( 0.000 0.000 11.543) 11.543 13.514 ( 0.000 0.000 -8.531) 8.531 13.559 ( 0.000 0.000 14.039) 14.039 13.929 ( 0.000 0.000 -19.969) 19.969 13.985 ( 0.000 0.000 -6.627) 6.627 14.061 ( 0.000 0.000 0.314) 0.314 14.497 ( 0.000 0.000 11.146) 11.146 14.880 ( 0.000 0.000 19.925) 19.925 15.279 ( 0.000 0.000 -31.134) 31.134 15.446 ( 0.000 0.000 21.301) 21.301 15.578 ( 0.000 0.000 -6.376) 6.376 15.618 ( 0.000 0.000 -16.313) 16.313 15.984 ( 0.000 0.000 -9.750) 9.750 17.241 ( 0.000 0.000 18.628) 18.628 17.615 ( 0.000 0.000 -33.780) 33.780 17.932 ( 0.000 0.000 -13.382) 13.382 18.008 ( 0.000 0.000 21.501) 21.501 18.536 ( 0.000 0.000 -9.471) 9.471 18.842 ( 0.000 0.000 0.904) 0.904 18.861 ( 0.000 0.000 2.766) 2.766 19.381 ( 0.000 0.000 -3.380) 3.380 19.457 ( 0.000 0.000 -13.391) 13.391 20.677 ( 0.000 0.000 23.711) 23.711 20.811 ( 0.000 0.000 6.272) 6.272 21.651 ( 0.000 0.000 2.047) 2.047 22.007 ( 0.000 0.000 -7.123) 7.123 ======================= Grid point 127 (42/120) ======================= q-point: ( 0.11 0.00 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 9.216 0.000 27.276) 28.791 1.771 ( 18.207 0.000 29.536) 34.697 2.720 ( 23.943 0.000 42.296) 48.602 3.103 ( 2.350 0.000 3.908) 4.560 3.172 ( 2.939 0.000 -13.688) 14.000 3.372 ( -5.247 0.000 -0.691) 5.292 3.731 ( -4.591 0.000 -1.115) 4.724 3.976 ( 1.901 0.000 -1.584) 2.475 4.057 ( -4.660 0.000 -5.536) 7.236 4.139 ( -2.675 0.000 -7.891) 8.332 4.527 ( -8.666 0.000 -17.430) 19.465 4.710 ( -5.306 0.000 -1.548) 5.528 6.393 ( 5.519 0.000 8.084) 9.788 6.946 ( -12.874 0.000 13.944) 18.978 7.674 ( 3.071 0.000 20.237) 20.469 8.021 ( 5.678 0.000 -9.340) 10.930 8.110 ( 4.516 0.000 10.474) 11.406 8.487 ( 20.508 0.000 13.614) 24.615 8.489 ( 19.039 0.000 1.265) 19.081 9.117 ( -1.426 0.000 1.506) 2.074 9.813 ( -8.328 0.000 -10.408) 13.330 9.821 ( -10.346 0.000 -13.554) 17.052 10.436 ( 12.426 0.000 -7.975) 14.765 10.683 ( -12.794 0.000 -9.721) 16.068 10.710 ( -2.985 0.000 5.888) 6.601 11.264 ( 4.034 0.000 -8.991) 9.855 11.360 ( -0.389 0.000 3.419) 3.441 11.673 ( -3.875 0.000 6.873) 7.890 12.099 ( -1.389 0.000 -7.918) 8.038 12.272 ( -7.982 0.000 15.088) 17.069 12.638 ( -2.689 0.000 -0.277) 2.703 12.756 ( -2.314 0.000 6.547) 6.943 12.827 ( 5.612 0.000 -2.274) 6.056 13.158 ( -6.431 0.000 -4.869) 8.066 13.330 ( -6.599 0.000 5.983) 8.907 13.600 ( 1.194 0.000 -0.894) 1.491 13.723 ( 1.131 0.000 0.003) 1.131 13.912 ( 20.823 0.000 2.956) 21.032 14.152 ( 6.535 0.000 -8.383) 10.629 14.204 ( 9.659 0.000 -7.123) 12.001 14.404 ( -6.849 0.000 5.898) 9.039 15.099 ( 18.325 0.000 23.067) 29.460 15.158 ( -7.586 0.000 -18.783) 20.257 15.432 ( -4.203 0.000 -3.919) 5.747 15.606 ( 2.229 0.000 -4.176) 4.734 15.663 ( -1.676 0.000 -0.083) 1.678 15.988 ( 6.322 0.000 -10.355) 12.132 17.143 ( -5.029 0.000 22.345) 22.904 17.274 ( -22.842 0.000 -28.259) 36.336 18.145 ( 10.323 0.000 -14.553) 17.843 18.226 ( 14.551 0.000 17.101) 22.454 18.401 ( -2.765 0.000 4.373) 5.174 18.882 ( 2.018 0.000 2.845) 3.488 19.060 ( 8.805 0.000 -6.879) 11.173 19.362 ( -7.637 0.000 -13.214) 15.262 19.378 ( -0.339 0.000 -2.874) 2.894 20.700 ( 2.417 0.000 19.902) 20.048 20.789 ( -1.780 0.000 3.579) 3.997 21.634 ( -1.600 0.000 0.905) 1.838 21.854 ( -12.390 0.000 -6.396) 13.944 ======================= Grid point 128 (43/120) ======================= q-point: ( 0.22 0.00 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( 15.637 0.000 14.568) 21.371 2.229 ( 23.617 0.000 18.367) 29.918 3.117 ( 7.646 0.000 15.727) 17.487 3.166 ( 3.381 0.000 3.640) 4.968 3.206 ( -2.910 0.000 -7.730) 8.260 3.388 ( 6.542 0.000 0.914) 6.605 3.667 ( 5.069 0.000 -0.127) 5.071 3.929 ( -7.070 0.000 -5.483) 8.947 4.002 ( -0.399 0.000 -3.441) 3.464 4.066 ( -3.966 0.000 -2.470) 4.672 4.286 ( -13.603 0.000 -13.313) 19.034 4.581 ( -5.740 0.000 2.639) 6.317 6.556 ( 10.020 0.000 8.228) 12.965 6.898 ( 7.746 0.000 9.528) 12.279 7.744 ( 2.776 0.000 19.760) 19.954 8.151 ( 6.730 0.000 -6.234) 9.174 8.277 ( 10.192 0.000 7.987) 12.949 8.779 ( 9.431 0.000 9.058) 13.077 9.012 ( 28.806 0.000 9.285) 30.265 9.100 ( 0.518 0.000 0.859) 1.003 9.540 ( -15.297 0.000 -4.195) 15.862 9.653 ( -6.863 0.000 -8.160) 10.662 10.273 ( -23.037 0.000 -11.931) 25.943 10.694 ( 1.811 0.000 0.140) 1.816 10.698 ( 8.960 0.000 -2.474) 9.295 11.301 ( -1.074 0.000 -8.882) 8.947 11.316 ( -3.896 0.000 10.228) 10.945 11.502 ( -11.332 0.000 13.078) 17.305 12.034 ( -15.887 0.000 6.489) 17.161 12.111 ( 2.003 0.000 -11.356) 11.531 12.709 ( 8.920 0.000 -4.002) 9.776 12.782 ( 4.721 0.000 -8.038) 9.322 12.909 ( 1.186 0.000 -9.832) 9.904 13.042 ( -2.527 0.000 -7.003) 7.445 13.223 ( -3.073 0.000 4.217) 5.218 13.470 ( -4.155 0.000 -5.482) 6.879 14.018 ( 14.109 0.000 12.202) 18.653 14.219 ( -4.398 0.000 8.564) 9.627 14.249 ( 6.501 0.000 -10.861) 12.658 14.334 ( 8.646 0.000 -10.899) 13.912 14.451 ( 16.615 0.000 2.084) 16.745 15.012 ( -6.422 0.000 -20.229) 21.224 15.165 ( -20.311 0.000 -17.091) 26.545 15.555 ( 18.527 0.000 22.468) 29.121 15.648 ( 3.276 0.000 22.345) 22.584 15.666 ( 8.739 0.000 3.593) 9.449 16.259 ( 16.480 0.000 -9.248) 18.898 16.775 ( -24.174 0.000 -25.093) 34.843 17.147 ( 6.614 0.000 21.516) 22.509 18.234 ( -2.800 0.000 -5.951) 6.577 18.346 ( 3.950 0.000 7.019) 8.054 18.613 ( 13.120 0.000 19.298) 23.335 18.944 ( 3.915 0.000 3.225) 5.072 18.953 ( -16.117 0.000 -5.072) 16.896 19.249 ( -5.915 0.000 -6.553) 8.828 19.363 ( -1.202 0.000 -1.374) 1.826 20.761 ( -0.187 0.000 -4.018) 4.022 20.791 ( 6.508 0.000 9.892) 11.841 21.581 ( -12.596 0.000 -10.311) 16.278 21.584 ( -3.296 0.000 -1.997) 3.854 ======================= Grid point 129 (44/120) ======================= q-point: ( 0.33 0.00 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( 18.542 0.000 2.924) 18.772 2.692 ( 19.744 0.000 9.845) 22.062 3.061 ( -7.504 0.000 -3.204) 8.159 3.225 ( 1.597 0.000 3.388) 3.746 3.246 ( 2.962 0.000 -6.608) 7.241 3.350 ( -4.167 0.000 -3.367) 5.358 3.771 ( -4.063 0.000 -1.141) 4.220 3.788 ( -5.749 0.000 -5.424) 7.904 3.932 ( -6.184 0.000 -7.194) 9.487 4.001 ( -12.656 0.000 -9.568) 15.866 4.152 ( 13.463 0.000 13.885) 19.340 4.509 ( -1.452 0.000 7.968) 8.099 6.812 ( 14.439 0.000 7.932) 16.475 7.218 ( 21.544 0.000 3.738) 21.866 7.732 ( -5.296 0.000 14.100) 15.062 8.264 ( 2.549 0.000 -2.516) 3.581 8.502 ( 11.183 0.000 9.555) 14.709 8.951 ( 8.338 0.000 15.085) 17.236 9.137 ( 2.288 0.000 -1.464) 2.716 9.228 ( -13.409 0.000 7.187) 15.213 9.519 ( -6.738 0.000 -6.369) 9.272 9.650 ( 30.988 0.000 1.868) 31.045 9.772 ( -22.128 0.000 -14.466) 26.437 10.787 ( 6.975 0.000 -3.077) 7.624 10.790 ( 0.011 0.000 5.513) 5.513 11.156 ( -11.912 0.000 14.596) 18.840 11.209 ( -8.407 0.000 -9.282) 12.523 11.380 ( 2.687 0.000 10.512) 10.850 11.611 ( -22.789 0.000 -4.827) 23.294 12.065 ( -8.175 0.000 -3.837) 9.031 12.908 ( 8.343 0.000 -11.773) 14.430 12.922 ( 1.745 0.000 -10.230) 10.377 12.945 ( 9.392 0.000 -13.591) 16.521 13.045 ( 0.738 0.000 -4.438) 4.499 13.288 ( 11.173 0.000 -4.511) 12.049 13.445 ( 1.150 0.000 -1.055) 1.560 13.945 ( -11.754 0.000 -1.349) 11.831 14.294 ( 0.605 0.000 -17.769) 17.779 14.399 ( 14.871 0.000 9.829) 17.826 14.602 ( -14.564 0.000 -15.041) 20.937 14.642 ( 17.136 0.000 -1.962) 17.248 14.742 ( -13.120 0.000 -10.670) 16.911 15.008 ( 11.054 0.000 3.102) 11.481 15.588 ( -3.145 0.000 6.044) 6.813 15.704 ( -0.700 0.000 25.146) 25.155 16.170 ( 12.443 0.000 9.812) 15.846 16.332 ( -3.214 0.000 -7.567) 8.221 16.665 ( 23.374 0.000 -4.692) 23.840 17.425 ( 18.646 0.000 14.240) 23.461 18.021 ( -17.163 0.000 4.821) 17.828 18.467 ( -4.055 0.000 0.058) 4.055 18.503 ( -10.187 0.000 5.633) 11.641 18.835 ( 2.967 0.000 22.093) 22.292 19.004 ( -16.742 0.000 2.157) 16.881 19.041 ( 5.158 0.000 3.309) 6.128 19.322 ( -2.781 0.000 0.548) 2.835 20.802 ( 4.369 0.000 -12.261) 13.017 20.965 ( 9.713 0.000 -0.526) 9.727 21.341 ( -10.608 0.000 -15.287) 18.608 21.494 ( -5.334 0.000 -5.306) 7.524 ======================= Grid point 130 (45/120) ======================= q-point: ( 0.44 0.00 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.478 ( 18.740 0.000 -4.385) 19.246 2.834 ( -14.534 0.000 -7.117) 16.183 3.028 ( 12.246 0.000 4.956) 13.211 3.202 ( -4.450 0.000 3.395) 5.597 3.269 ( 0.653 0.000 -2.922) 2.994 3.301 ( -1.753 0.000 -8.598) 8.775 3.705 ( 0.791 0.000 -2.085) 2.230 3.720 ( -0.161 0.000 -5.674) 5.677 3.791 ( -6.960 0.000 -6.951) 9.837 3.794 ( -6.380 0.000 -4.366) 7.731 4.383 ( 7.492 0.000 13.843) 15.740 4.479 ( -2.324 0.000 11.603) 11.834 7.151 ( 17.607 0.000 7.241) 19.037 7.508 ( -15.293 0.000 8.308) 17.404 7.731 ( 25.545 0.000 1.258) 25.576 8.170 ( -13.531 0.000 1.053) 13.572 8.741 ( 11.521 0.000 13.642) 17.856 8.976 ( -11.198 0.000 14.150) 18.044 9.099 ( 4.027 0.000 7.223) 8.270 9.161 ( -1.553 0.000 1.071) 1.886 9.368 ( -1.152 0.000 -15.228) 15.271 9.483 ( -7.858 0.000 -3.531) 8.615 10.285 ( 29.515 0.000 -6.530) 30.228 10.788 ( 2.198 0.000 12.035) 12.234 10.859 ( -22.865 0.000 -11.241) 25.479 10.918 ( -9.732 0.000 14.647) 17.586 10.983 ( 8.792 0.000 -4.250) 9.765 11.220 ( -13.353 0.000 -5.568) 14.468 11.538 ( 11.099 0.000 7.688) 13.501 11.810 ( -14.144 0.000 4.143) 14.739 12.981 ( 3.345 0.000 -6.120) 6.974 13.038 ( -1.627 0.000 -4.750) 5.021 13.057 ( 4.737 0.000 -17.980) 18.593 13.076 ( 2.935 0.000 -17.766) 18.007 13.518 ( 6.097 0.000 -1.156) 6.206 13.653 ( 21.562 0.000 -10.038) 23.784 13.699 ( -10.904 0.000 -1.647) 11.027 14.132 ( -23.617 0.000 -14.048) 27.479 14.347 ( 4.823 0.000 -16.764) 17.444 14.515 ( -10.396 0.000 -16.756) 19.719 14.716 ( 14.194 0.000 4.413) 14.864 14.883 ( 1.846 0.000 2.613) 3.199 15.315 ( 15.013 0.000 18.747) 24.018 15.570 ( 5.176 0.000 0.271) 5.183 15.585 ( -10.109 0.000 22.758) 24.902 15.835 ( -17.930 0.000 -10.868) 20.967 16.915 ( 32.203 0.000 18.926) 37.352 17.220 ( 28.329 0.000 -3.222) 28.511 17.547 ( -27.413 0.000 13.404) 30.515 17.708 ( -7.387 0.000 1.298) 7.501 18.136 ( 4.361 0.000 3.802) 5.785 18.541 ( -22.445 0.000 9.273) 24.285 18.680 ( 8.151 0.000 13.947) 16.154 18.834 ( -5.045 0.000 19.467) 20.110 19.150 ( 5.102 0.000 2.889) 5.864 19.249 ( -4.220 0.000 1.993) 4.667 20.938 ( 8.273 0.000 -16.619) 18.564 21.129 ( -9.738 0.000 -17.353) 19.899 21.174 ( 9.760 0.000 -6.284) 11.608 21.358 ( -7.746 0.000 -7.318) 10.656 ======================= Grid point 135 (46/120) ======================= q-point: ( 0.00 0.14 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 0.000 20.212 26.852) 33.609 1.582 ( 0.000 5.685 31.900) 32.403 2.717 ( 0.000 24.510 39.041) 46.098 3.035 ( 0.000 -4.862 -4.919) 6.916 3.181 ( 0.000 4.183 -4.754) 6.332 3.393 ( 0.000 -5.377 1.795) 5.669 3.750 ( 0.000 -1.696 -0.818) 1.883 3.974 ( 0.000 -0.516 -6.533) 6.553 4.016 ( 0.000 -2.988 -5.712) 6.446 4.205 ( 0.000 -0.291 -4.473) 4.483 4.586 ( 0.000 -3.599 -18.447) 18.795 4.723 ( 0.000 -4.508 -3.073) 5.456 6.516 ( 0.000 16.087 6.422) 17.322 7.250 ( 0.000 0.733 9.570) 9.598 7.650 ( 0.000 1.034 20.578) 20.604 7.759 ( 0.000 -9.789 -1.346) 9.881 8.101 ( 0.000 -4.577 11.470) 12.349 8.178 ( 0.000 3.230 -2.200) 3.908 8.190 ( 0.000 -3.336 12.446) 12.885 9.177 ( 0.000 4.529 2.132) 5.005 9.765 ( 0.000 -11.561 -13.386) 17.687 10.106 ( 0.000 10.101 -14.203) 17.429 10.267 ( 0.000 1.452 -9.346) 9.458 10.609 ( 0.000 -16.844 -7.959) 18.629 10.814 ( 0.000 4.532 7.557) 8.812 11.305 ( 0.000 -3.086 6.539) 7.230 11.325 ( 0.000 7.828 -7.985) 11.182 11.645 ( 0.000 -4.332 3.524) 5.584 12.095 ( 0.000 -0.497 -8.974) 8.988 12.552 ( 0.000 15.184 15.680) 21.827 12.724 ( 0.000 0.781 1.868) 2.025 12.731 ( 0.000 0.252 5.995) 6.000 12.887 ( 0.000 4.576 8.159) 9.355 13.141 ( 0.000 -7.521 -1.623) 7.695 13.385 ( 0.000 -4.863 7.995) 9.358 13.568 ( 0.000 -1.552 -10.669) 10.781 13.644 ( 0.000 5.315 13.621) 14.621 13.898 ( 0.000 -0.885 -12.827) 12.857 13.941 ( 0.000 -3.645 -6.471) 7.427 14.119 ( 0.000 6.248 -6.581) 9.075 14.650 ( 0.000 12.211 13.829) 18.449 14.892 ( 0.000 1.295 21.277) 21.317 15.245 ( 0.000 -3.200 -30.915) 31.080 15.437 ( 0.000 0.474 11.039) 11.049 15.533 ( 0.000 -2.382 -2.548) 3.489 15.679 ( 0.000 5.827 -16.005) 17.033 16.074 ( 0.000 6.909 -8.212) 10.732 17.201 ( 0.000 -3.666 19.592) 19.932 17.661 ( 0.000 4.026 -30.777) 31.040 17.925 ( 0.000 -8.710 19.711) 21.550 17.964 ( 0.000 3.100 -13.319) 13.675 18.490 ( 0.000 -7.375 -8.196) 11.026 18.629 ( 0.000 -17.740 2.339) 17.894 18.721 ( 0.000 -11.340 10.148) 15.218 19.200 ( 0.000 -13.289 -7.173) 15.102 19.326 ( 0.000 -11.582 -8.771) 14.528 20.845 ( 0.000 15.247 18.454) 23.937 20.974 ( 0.000 14.370 5.258) 15.302 21.664 ( 0.000 1.213 1.893) 2.248 22.070 ( 0.000 3.309 -8.845) 9.444 ======================= Grid point 136 (47/120) ======================= q-point: ( 0.11 0.14 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 7.335 18.302 22.729) 30.089 1.775 ( 16.750 3.272 27.663) 32.504 2.939 ( 16.264 16.484 28.922) 37.050 3.071 ( 4.489 -1.592 2.152) 5.227 3.187 ( 1.099 1.466 -7.541) 7.760 3.348 ( -2.971 -2.823 0.534) 4.133 3.709 ( -4.272 -1.864 -1.893) 5.031 3.963 ( -2.890 -5.513 -9.414) 11.286 3.998 ( 0.178 1.677 -1.370) 2.173 4.163 ( -3.560 -0.287 -4.354) 5.632 4.508 ( -7.177 -2.067 -16.543) 18.151 4.665 ( -5.177 -4.334 -2.007) 7.043 6.579 ( 5.846 16.385 6.446) 18.553 6.996 ( -11.421 5.807 12.056) 17.593 7.679 ( 2.909 -0.156 22.147) 22.338 7.933 ( 9.238 -7.137 -1.272) 11.742 8.107 ( 2.676 -0.726 2.772) 3.921 8.369 ( 18.050 -9.408 6.410) 21.340 8.483 ( 19.320 -0.417 10.479) 21.983 9.157 ( -1.862 4.257 1.714) 4.953 9.720 ( -3.461 -7.445 -10.749) 13.526 9.908 ( -14.081 4.703 -10.861) 18.394 10.405 ( 8.480 -3.181 -7.204) 11.573 10.613 ( -2.398 -1.719 -8.352) 8.858 10.825 ( -1.149 5.645 3.550) 6.767 11.051 ( -9.185 -10.072 -3.065) 13.972 11.474 ( 1.444 0.142 6.562) 6.720 11.631 ( -1.210 -0.002 2.143) 2.461 12.096 ( -0.156 1.068 -8.801) 8.866 12.434 ( -7.012 12.402 9.204) 16.962 12.656 ( -3.324 1.806 0.319) 3.796 12.739 ( -3.092 -0.902 7.137) 7.830 12.909 ( 4.273 5.489 0.391) 6.968 13.100 ( -3.341 -2.989 -5.364) 6.991 13.337 ( -6.297 -0.947 2.660) 6.901 13.535 ( 1.497 -6.871 -0.623) 7.059 13.791 ( 2.012 3.728 -5.804) 7.185 13.950 ( 19.566 3.591 7.271) 21.179 14.070 ( 4.108 1.314 -3.217) 5.381 14.226 ( 7.693 -2.278 -9.068) 12.108 14.581 ( -2.568 13.350 7.079) 15.328 15.069 ( 6.481 -3.052 15.287) 16.882 15.180 ( 2.470 1.669 -14.065) 14.378 15.416 ( -2.294 -0.488 -2.795) 3.649 15.551 ( -2.352 -1.375 -8.156) 8.599 15.694 ( 1.039 2.104 -0.157) 2.352 16.067 ( 3.221 5.398 -7.019) 9.422 17.123 ( -4.581 -0.669 19.173) 19.724 17.356 ( -19.325 7.297 -23.397) 31.211 18.143 ( 16.614 -9.602 17.445) 25.933 18.170 ( 9.694 2.082 -13.991) 17.148 18.377 ( -3.778 -2.419 1.276) 4.664 18.625 ( 0.940 -21.975 4.466) 22.444 18.936 ( 10.734 -15.451 1.267) 18.856 19.160 ( -5.907 -13.017 -5.507) 15.319 19.255 ( -4.513 -10.569 -9.561) 14.949 20.857 ( 1.397 14.390 15.440) 21.152 20.958 ( -1.276 14.772 2.824) 15.093 21.649 ( -1.449 1.389 0.707) 2.128 21.936 ( -11.102 5.216 -8.412) 14.874 ======================= Grid point 137 (48/120) ======================= q-point: ( 0.22 0.14 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( 12.793 13.679 13.282) 22.960 2.200 ( 21.999 -1.072 19.085) 29.144 3.077 ( 0.954 -5.647 -1.678) 5.967 3.165 ( 1.850 1.774 1.300) 2.874 3.233 ( -1.484 0.165 -1.568) 2.165 3.456 ( 7.068 6.225 6.846) 11.644 3.627 ( 1.825 -4.853 0.394) 5.200 3.869 ( -4.267 -2.842 -5.126) 7.250 4.003 ( -0.761 0.253 -5.314) 5.375 4.077 ( -3.930 0.276 -0.255) 3.947 4.309 ( -11.202 1.681 -12.144) 16.607 4.539 ( -5.732 -3.920 1.504) 7.105 6.748 ( 9.885 18.134 6.566) 21.672 6.949 ( 7.206 5.488 9.865) 13.392 7.761 ( 4.317 0.798 21.555) 21.998 8.127 ( 8.662 -2.152 -3.640) 9.639 8.231 ( 8.687 -3.886 4.675) 10.603 8.697 ( 12.622 -6.835 10.992) 18.080 8.962 ( 24.935 -4.462 7.946) 26.548 9.113 ( -1.407 1.832 1.227) 2.616 9.588 ( -14.973 3.283 -2.693) 15.564 9.658 ( -2.269 -0.260 -6.457) 6.849 10.339 ( -22.038 7.602 -11.298) 25.906 10.554 ( 5.275 -9.181 -3.248) 11.076 10.814 ( 1.837 6.374 -0.545) 6.655 11.015 ( 2.389 -14.594 -0.289) 14.792 11.388 ( -8.459 -5.502 9.575) 13.911 11.545 ( -6.952 4.120 4.514) 9.256 12.093 ( -4.370 5.533 -7.032) 9.958 12.234 ( -9.979 11.090 -1.323) 14.977 12.687 ( 6.125 -1.940 -6.169) 8.908 12.745 ( 3.654 -3.564 -6.568) 8.318 12.974 ( 2.201 -0.249 -0.596) 2.294 13.024 ( -2.764 5.119 -14.228) 15.372 13.231 ( -1.507 1.489 3.151) 3.797 13.554 ( 0.955 4.783 1.131) 5.006 13.966 ( 6.410 -7.035 1.321) 9.609 14.080 ( 4.159 0.314 -2.447) 4.836 14.271 ( 4.492 -1.574 -6.673) 8.197 14.452 ( 14.065 7.161 11.356) 19.444 14.633 ( 9.512 13.175 -5.541) 17.169 14.988 ( -5.704 -0.719 -17.726) 18.635 15.171 ( -16.763 -0.241 -11.234) 20.180 15.375 ( -3.678 -9.729 4.495) 11.331 15.637 ( 20.607 -0.568 11.243) 23.481 15.804 ( 9.124 7.473 19.535) 22.819 16.250 ( 12.595 -1.819 -5.381) 13.816 16.850 ( -20.516 7.840 -20.205) 29.843 17.212 ( 6.185 6.830 17.435) 19.720 18.237 ( -2.492 -0.420 -4.141) 4.851 18.359 ( 2.990 1.841 3.345) 4.850 18.518 ( 14.059 -11.085 16.340) 24.239 18.653 ( 1.611 -24.406 4.718) 24.910 18.885 ( -16.024 -7.264 -3.568) 17.952 19.078 ( -0.016 -24.986 2.435) 25.105 19.177 ( -4.404 -6.744 -4.999) 9.480 20.915 ( 3.827 12.420 5.234) 14.010 20.943 ( 0.993 14.891 -1.733) 15.024 21.602 ( -3.221 2.054 -2.644) 4.646 21.683 ( -11.848 7.270 -10.666) 17.521 ======================= Grid point 138 (49/120) ======================= q-point: ( 0.33 0.14 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( 16.028 8.361 3.364) 18.388 2.626 ( 17.493 -4.917 11.649) 21.584 3.036 ( -4.342 -3.416 -4.869) 7.364 3.179 ( -2.478 -2.155 0.757) 3.370 3.251 ( 4.305 -0.849 -9.909) 10.838 3.379 ( -6.172 0.404 -0.900) 6.251 3.662 ( -2.232 -8.543 -1.124) 8.901 3.788 ( -6.109 0.030 -1.727) 6.348 3.932 ( -5.991 0.293 -6.192) 8.621 4.054 ( -8.760 3.537 -6.387) 11.404 4.168 ( 8.193 1.529 8.305) 11.766 4.458 ( -2.305 -4.809 6.273) 8.233 6.983 ( 13.059 16.656 7.812) 22.561 7.267 ( 21.599 5.136 4.777) 22.710 7.798 ( -2.572 5.673 15.816) 16.999 8.257 ( 3.025 -0.233 -1.134) 3.239 8.446 ( 11.389 -5.140 8.073) 14.876 8.924 ( 8.807 -2.127 14.571) 17.158 9.063 ( -1.733 -4.784 -0.063) 5.089 9.308 ( -9.725 3.870 5.694) 11.915 9.393 ( 6.634 -7.733 -0.739) 10.216 9.765 ( 18.205 6.524 -0.991) 19.364 9.839 ( -23.124 7.866 -15.231) 28.785 10.619 ( 0.771 -12.164 1.033) 12.232 10.874 ( 4.774 4.579 -2.069) 6.931 11.078 ( 0.517 -5.366 6.165) 8.190 11.177 ( -8.545 -4.040 5.083) 10.731 11.367 ( -11.346 -1.984 0.462) 11.527 11.784 ( -15.842 14.385 -3.756) 21.725 12.111 ( -8.883 5.064 -3.549) 10.823 12.791 ( 2.892 -9.157 -9.979) 13.849 12.841 ( 4.507 -6.345 -12.546) 14.764 13.026 ( 3.094 7.274 -9.923) 12.687 13.099 ( 8.165 3.636 -3.843) 9.729 13.298 ( 9.300 2.651 -3.086) 10.151 13.595 ( 3.036 9.837 0.230) 10.298 13.909 ( -5.250 -2.619 -5.963) 8.365 14.229 ( 0.574 1.180 -9.389) 9.480 14.358 ( 6.543 -12.568 3.216) 14.530 14.584 ( -8.276 3.282 -7.267) 11.493 14.694 ( -7.369 4.672 -11.286) 14.266 14.914 ( 1.956 11.176 -14.137) 18.127 15.060 ( 15.290 7.286 12.428) 21.008 15.328 ( -1.268 -15.208 9.538) 17.996 15.824 ( -0.467 2.323 11.646) 11.885 16.260 ( 22.488 8.114 19.393) 30.784 16.355 ( -8.111 1.285 -12.118) 14.638 16.687 ( 18.428 3.784 -2.703) 19.005 17.463 ( 16.549 4.102 13.369) 21.667 18.040 ( -16.475 1.454 4.434) 17.123 18.409 ( -19.319 -6.519 -5.696) 21.170 18.452 ( 2.898 -4.085 10.078) 11.254 18.707 ( -0.938 -21.020 8.180) 22.575 18.782 ( 6.543 -12.451 15.655) 21.045 18.926 ( -11.179 -12.352 2.381) 16.829 19.114 ( -2.405 -16.201 3.738) 16.800 20.970 ( 3.623 14.409 -10.866) 18.407 21.061 ( 7.966 9.141 -1.938) 12.279 21.446 ( -9.935 8.545 -14.813) 19.777 21.527 ( -4.923 3.006 -5.608) 8.045 ======================= Grid point 139 (50/120) ======================= q-point: ( 0.44 0.14 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.517 ( 16.763 3.832 -3.583) 17.565 2.816 ( -7.806 -2.520 -2.732) 8.646 2.956 ( 4.792 -4.218 0.577) 6.410 3.087 ( -5.725 -7.556 0.302) 9.485 3.318 ( 1.160 1.919 -3.724) 4.347 3.331 ( 1.347 -0.685 -6.833) 6.998 3.628 ( -0.475 -6.431 -1.568) 6.637 3.665 ( -4.199 -1.923 -1.095) 4.746 3.830 ( -1.943 3.456 -4.922) 6.320 3.881 ( -6.134 4.934 -5.534) 9.623 4.333 ( 5.673 -4.574 11.006) 13.200 4.414 ( -2.544 -6.072 9.597) 11.638 7.294 ( 16.173 13.714 7.850) 22.611 7.611 ( -11.757 9.734 9.554) 18.007 7.784 ( 22.932 5.333 2.895) 23.721 8.185 ( -11.809 1.682 3.301) 12.376 8.692 ( 11.765 -4.534 12.417) 17.696 8.909 ( -8.074 -5.402 9.619) 13.671 9.118 ( 3.063 0.369 10.131) 10.590 9.181 ( -3.581 0.707 1.424) 3.918 9.382 ( 0.101 1.187 -11.207) 11.270 9.499 ( -9.039 3.316 -7.808) 12.396 10.269 ( 24.655 -1.236 -6.134) 25.437 10.603 ( -3.866 -10.340 1.283) 11.113 10.912 ( -6.816 -0.108 6.653) 9.526 10.987 ( -12.263 1.765 0.257) 12.392 11.040 ( 4.174 6.333 -1.625) 7.757 11.166 ( -4.169 -5.460 -1.420) 7.015 11.652 ( 3.646 11.166 2.751) 12.064 11.854 ( -13.349 5.342 3.498) 14.798 12.849 ( 2.889 -11.019 -11.009) 15.842 12.890 ( -0.233 -9.460 -12.228) 15.462 13.115 ( 4.401 5.896 -8.952) 11.588 13.175 ( -0.483 6.484 -7.591) 9.995 13.620 ( 16.508 -1.020 -8.163) 18.445 13.682 ( 4.858 10.914 -2.901) 12.294 13.837 ( 0.218 10.400 -5.502) 11.768 14.130 ( -18.356 -1.852 -12.401) 22.230 14.245 ( -2.448 -2.599 -12.455) 12.957 14.337 ( -7.193 -12.664 -13.011) 19.529 14.802 ( 10.642 -0.708 8.548) 13.668 14.980 ( -3.139 3.673 3.349) 5.879 15.297 ( 9.469 0.566 7.805) 12.284 15.421 ( 5.068 2.893 7.066) 9.164 15.756 ( -0.467 7.332 5.117) 8.954 15.969 ( -16.195 9.160 -5.664) 19.449 16.939 ( 31.588 2.758 18.932) 36.930 17.210 ( 27.377 -0.945 -0.952) 27.410 17.564 ( -24.933 1.733 12.886) 28.120 17.734 ( -11.407 2.398 1.304) 11.729 18.050 ( 5.079 -8.240 4.880) 10.840 18.425 ( -17.948 -12.540 8.656) 23.544 18.624 ( 3.991 -5.456 10.293) 12.314 18.727 ( -4.086 -11.427 13.450) 18.116 18.952 ( 5.281 -16.306 8.458) 19.113 19.048 ( -3.911 -17.603 5.846) 18.956 21.082 ( 6.882 12.439 -15.391) 20.952 21.221 ( 1.691 7.369 -11.115) 13.443 21.268 ( -1.892 9.194 -12.308) 15.479 21.405 ( -6.845 4.339 -7.631) 11.131 ======================= Grid point 144 (51/120) ======================= q-point: ( 0.00 0.29 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 0.000 18.623 17.847) 25.794 2.049 ( 0.000 26.422 17.400) 31.637 2.884 ( 0.000 -10.702 -6.012) 12.275 3.185 ( 0.000 15.995 17.632) 23.806 3.241 ( 0.000 -6.542 5.673) 8.659 3.291 ( 0.000 6.334 -2.697) 6.884 3.722 ( 0.000 -0.417 -1.922) 1.966 3.912 ( 0.000 -1.469 -9.723) 9.833 4.067 ( 0.000 2.893 -3.004) 4.170 4.159 ( 0.000 -1.676 -2.536) 3.040 4.482 ( 0.000 -7.127 -15.750) 17.287 4.602 ( 0.000 -7.568 -3.662) 8.408 6.835 ( 0.000 14.480 10.470) 17.869 7.263 ( 0.000 0.145 9.601) 9.602 7.666 ( 0.000 0.492 25.283) 25.287 7.678 ( 0.000 2.775 -3.804) 4.709 7.959 ( 0.000 -8.347 13.632) 15.984 8.099 ( 0.000 -5.732 3.938) 6.955 8.315 ( 0.000 10.673 -0.896) 10.710 9.313 ( 0.000 9.278 2.515) 9.613 9.468 ( 0.000 -18.729 -7.853) 20.309 10.240 ( 0.000 -17.454 -4.827) 18.109 10.268 ( 0.000 4.660 -12.550) 13.387 10.301 ( 0.000 -0.995 -10.429) 10.476 10.958 ( 0.000 11.653 -1.190) 11.714 11.317 ( 0.000 3.905 13.347) 13.907 11.421 ( 0.000 1.864 5.453) 5.763 11.571 ( 0.000 -3.338 -7.097) 7.843 12.130 ( 0.000 4.691 -11.202) 12.145 12.740 ( 0.000 2.244 1.815) 2.886 12.748 ( 0.000 -0.092 5.060) 5.061 12.875 ( 0.000 -6.007 2.995) 6.712 12.880 ( 0.000 15.311 17.815) 23.490 13.061 ( 0.000 0.582 1.967) 2.052 13.301 ( 0.000 -3.489 2.118) 4.082 13.425 ( 0.000 -10.064 -9.842) 14.077 13.679 ( 0.000 -2.756 -2.984) 4.062 13.864 ( 0.000 -3.764 -8.835) 9.603 13.929 ( 0.000 4.605 8.402) 9.581 14.266 ( 0.000 6.004 -0.547) 6.029 14.796 ( 0.000 1.004 14.946) 14.980 14.920 ( 0.000 0.582 17.663) 17.673 15.186 ( 0.000 -1.510 -24.797) 24.843 15.428 ( 0.000 -3.095 -11.444) 11.855 15.688 ( 0.000 21.664 10.765) 24.191 15.820 ( 0.000 8.075 -15.342) 17.337 16.170 ( 0.000 1.464 -8.274) 8.402 17.147 ( 0.000 -0.000 20.669) 20.669 17.607 ( 0.000 -22.749 14.051) 26.738 17.720 ( 0.000 -5.256 -16.786) 17.590 18.042 ( 0.000 4.496 -13.906) 14.615 18.155 ( 0.000 -12.919 -1.172) 12.972 18.481 ( 0.000 -3.542 -7.935) 8.690 18.513 ( 0.000 -7.483 14.424) 16.249 18.975 ( 0.000 -9.763 -13.869) 16.961 19.079 ( 0.000 -12.524 -3.903) 13.118 21.195 ( 0.000 19.354 10.970) 22.247 21.275 ( 0.000 14.985 3.799) 15.459 21.683 ( 0.000 0.212 1.796) 1.808 22.054 ( 0.000 -5.375 -6.255) 8.247 ======================= Grid point 145 (52/120) ======================= q-point: ( 0.11 0.29 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( 11.041 14.705 17.414) 25.326 2.087 ( 3.644 24.458 15.518) 29.193 2.906 ( 2.007 -9.890 -4.735) 11.147 3.183 ( -3.351 -6.081 -1.550) 7.114 3.269 ( -0.856 2.760 1.989) 3.509 3.334 ( 9.035 9.902 13.204) 18.816 3.680 ( -4.166 -0.327 -2.800) 5.031 3.895 ( -1.213 0.251 -6.431) 6.550 4.045 ( -1.926 0.775 -4.020) 4.524 4.139 ( -1.472 1.140 -2.227) 2.903 4.441 ( -3.849 -4.990 -14.212) 15.546 4.556 ( -4.287 -6.684 -2.973) 8.479 6.882 ( 4.619 12.519 11.768) 17.792 7.202 ( -1.901 13.460 4.586) 14.347 7.636 ( 0.518 -2.818 21.339) 21.530 7.856 ( 11.438 0.530 6.351) 13.094 8.051 ( 4.341 -5.697 0.541) 7.182 8.199 ( 14.146 -7.300 9.646) 18.613 8.511 ( 15.478 4.784 5.890) 17.238 9.285 ( -2.915 8.707 1.943) 9.385 9.492 ( 2.433 -16.107 -5.711) 17.262 9.927 ( -15.595 -4.026 -5.624) 17.060 10.325 ( 1.866 -3.852 -9.203) 10.150 10.547 ( 12.106 -8.028 -7.480) 16.339 10.932 ( -4.583 12.221 -2.806) 13.350 11.061 ( -14.755 6.993 0.986) 16.358 11.395 ( -5.286 -5.110 11.890) 13.980 11.645 ( 1.984 -1.501 -3.486) 4.283 12.162 ( 2.393 5.779 -9.524) 11.394 12.621 ( -4.677 4.038 2.116) 6.532 12.664 ( -4.246 -1.230 -1.082) 4.551 12.801 ( -10.020 8.268 8.878) 15.735 12.902 ( 1.079 -5.004 0.834) 5.187 13.164 ( 5.942 7.421 -3.877) 10.267 13.277 ( -5.057 -4.744 -3.304) 7.681 13.377 ( 5.659 -6.956 2.335) 9.266 13.798 ( 4.481 -1.391 -7.345) 8.716 14.037 ( 16.830 4.376 9.352) 19.745 14.093 ( 9.954 -4.482 -2.799) 11.270 14.259 ( 1.478 7.892 2.302) 8.352 14.740 ( -2.908 1.195 2.111) 3.787 15.019 ( 6.195 -2.690 23.032) 24.001 15.180 ( -0.501 0.597 -21.734) 21.747 15.413 ( -0.078 -1.769 -10.806) 10.950 15.679 ( -8.909 12.345 -10.363) 18.416 15.801 ( 5.400 13.737 7.845) 16.716 16.105 ( -2.750 -2.486 -3.015) 4.778 17.166 ( 2.316 5.858 18.288) 19.342 17.521 ( -13.871 7.921 -18.652) 24.557 17.774 ( 11.748 -28.867 8.980) 32.434 18.107 ( 6.356 -15.884 9.381) 19.511 18.225 ( 1.692 -2.772 -13.804) 14.181 18.422 ( -0.342 1.026 -0.098) 1.086 18.579 ( 2.300 -14.889 7.105) 16.656 18.959 ( -6.254 -9.438 -5.186) 12.453 19.038 ( -0.244 -10.546 -8.849) 13.769 21.189 ( -0.272 18.412 8.631) 20.336 21.265 ( -0.857 15.102 1.803) 15.234 21.672 ( -1.037 0.461 0.586) 1.277 21.964 ( -7.781 -3.100 -7.070) 10.961 ======================= Grid point 146 (53/120) ======================= q-point: ( 0.22 0.29 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( 7.603 16.728 12.779) 22.382 2.258 ( 15.589 9.344 12.435) 22.021 2.949 ( 1.364 -8.154 -1.270) 8.364 3.142 ( 0.489 -3.664 -7.086) 7.992 3.204 ( -3.991 -2.960 -1.736) 5.264 3.460 ( -2.741 -10.293 0.915) 10.691 3.572 ( -3.191 4.251 1.563) 5.540 3.870 ( -2.680 -0.671 0.553) 2.817 4.019 ( 0.299 3.429 -7.283) 8.055 4.111 ( -0.579 4.180 1.007) 4.338 4.325 ( -7.144 -0.457 -10.517) 12.722 4.444 ( -5.581 -5.502 -0.696) 7.868 7.055 ( 12.686 10.195 10.828) 19.548 7.237 ( 4.926 24.484 3.940) 25.283 7.717 ( 7.286 -5.904 22.750) 24.607 8.120 ( 12.718 2.946 3.994) 13.652 8.148 ( 5.567 -4.990 -1.618) 7.649 8.560 ( 17.570 -7.017 12.864) 22.878 8.889 ( 18.884 -1.209 7.000) 20.176 9.186 ( -5.991 5.708 1.392) 8.391 9.573 ( 2.315 -8.035 -0.575) 8.381 9.621 ( -10.016 -2.546 -0.223) 10.337 10.361 ( 1.353 -7.937 -6.806) 10.543 10.580 ( -22.937 13.405 -8.199) 27.803 10.745 ( 7.121 -9.610 -1.900) 12.111 10.969 ( 0.677 8.006 -1.655) 8.204 11.265 ( -6.442 -6.149 6.514) 11.034 11.542 ( -10.565 -4.060 1.333) 11.397 12.227 ( 2.118 7.227 -9.768) 12.334 12.447 ( -14.951 8.398 -5.043) 17.874 12.633 ( -0.068 -3.603 -9.087) 9.775 12.669 ( 1.435 -3.278 -3.893) 5.288 12.967 ( 5.881 2.524 0.876) 6.459 13.140 ( -0.781 2.821 -7.919) 8.443 13.324 ( 3.578 8.334 1.305) 9.163 13.545 ( 7.902 -4.777 7.184) 11.700 13.844 ( 0.459 -3.797 -3.152) 4.956 14.195 ( 2.394 7.881 -5.049) 9.661 14.254 ( 4.350 -2.146 -1.497) 5.076 14.534 ( 16.288 2.303 13.430) 21.236 14.716 ( 1.634 -2.732 -10.679) 11.143 15.103 ( -4.408 -5.004 -2.506) 7.124 15.139 ( 4.140 12.508 0.556) 13.187 15.331 ( -14.933 4.360 -12.815) 20.156 15.567 ( 9.167 -4.745 -0.663) 10.344 16.033 ( 15.862 17.377 18.579) 29.980 16.153 ( 7.485 -7.979 2.723) 11.275 17.071 ( -13.600 13.957 -12.885) 23.362 17.405 ( 5.345 12.166 11.376) 17.493 17.981 ( 7.847 -35.604 4.556) 36.742 18.166 ( -4.506 -10.087 -5.933) 12.540 18.308 ( 9.604 -12.800 11.694) 19.820 18.445 ( 0.002 3.658 0.709) 3.726 18.584 ( -2.351 -19.697 8.747) 21.679 18.725 ( -13.533 -8.253 0.209) 15.853 19.017 ( -3.743 -9.106 -3.458) 10.435 21.200 ( 1.636 15.707 2.031) 15.922 21.252 ( 0.016 15.047 -3.058) 15.354 21.639 ( -2.150 1.216 -2.548) 3.548 21.775 ( -9.387 1.004 -9.969) 13.730 ======================= Grid point 147 (54/120) ======================= q-point: ( 0.33 0.29 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( 10.341 11.690 4.637) 16.282 2.569 ( 12.630 0.354 9.350) 15.719 2.951 ( -1.220 -4.582 -1.851) 5.090 3.129 ( -3.023 -3.404 -6.194) 7.687 3.194 ( 0.879 -4.749 -5.512) 7.329 3.307 ( -4.193 -8.322 -4.193) 10.218 3.531 ( -2.610 -2.822 3.460) 5.172 3.761 ( -6.673 -3.876 -0.793) 7.758 3.975 ( -4.188 4.713 -3.702) 7.311 4.118 ( -5.136 3.058 -3.479) 6.917 4.199 ( 0.064 1.211 -0.169) 1.224 4.346 ( -3.826 -6.147 2.491) 7.657 7.367 ( 12.480 15.939 7.797) 21.693 7.443 ( 18.682 17.443 7.506) 26.638 7.882 ( 5.950 0.904 19.729) 20.627 8.244 ( 3.779 -3.468 2.221) 5.589 8.374 ( 10.602 1.483 4.661) 11.676 8.885 ( 11.685 -3.056 13.350) 18.003 8.979 ( -6.469 -2.545 -2.167) 7.282 9.268 ( 7.206 -2.327 4.943) 9.043 9.340 ( -8.742 -2.177 3.803) 9.779 9.817 ( 15.788 -2.448 -0.636) 15.989 10.086 ( -22.271 15.452 -13.471) 30.269 10.390 ( 1.966 -8.612 -3.282) 9.424 10.886 ( 7.048 -6.380 0.571) 9.524 10.988 ( -0.299 -1.890 -0.571) 1.997 11.124 ( -7.822 -0.663 7.189) 10.644 11.294 ( -11.153 -4.616 -5.777) 13.381 12.063 ( -12.638 12.849 -6.729) 19.238 12.257 ( -7.770 9.124 -3.421) 12.463 12.609 ( -0.969 -8.826 -11.025) 14.156 12.714 ( 1.616 -6.446 -9.534) 11.622 13.176 ( 11.798 6.038 -1.927) 13.393 13.189 ( 5.101 7.266 -5.663) 10.530 13.401 ( 4.703 7.102 -3.466) 9.196 13.635 ( 2.290 -4.731 -0.429) 5.273 13.901 ( 5.721 -2.111 0.029) 6.098 14.213 ( -3.139 0.094 -4.873) 5.798 14.273 ( -2.692 -0.326 -2.018) 3.380 14.617 ( -1.733 -6.472 -6.470) 9.314 14.679 ( -11.699 7.682 -11.530) 18.133 15.055 ( -7.881 -5.227 0.139) 9.458 15.169 ( 13.637 5.643 13.125) 19.750 15.365 ( 13.443 20.685 -5.636) 25.305 15.744 ( 5.547 -9.240 2.797) 11.134 16.344 ( 4.446 -2.577 -5.041) 7.199 16.466 ( 25.011 13.345 21.811) 35.768 16.846 ( -0.463 12.135 -5.914) 13.508 17.575 ( 9.293 5.417 11.706) 15.898 18.013 ( -10.776 -8.159 -1.706) 13.624 18.110 ( 3.163 -30.086 4.135) 30.533 18.267 ( -18.920 -7.758 0.442) 20.454 18.364 ( -5.063 -7.552 5.619) 10.688 18.533 ( 3.944 -13.201 14.819) 20.234 18.618 ( 1.124 -12.648 12.957) 18.142 18.871 ( -9.508 -10.091 4.517) 14.582 21.256 ( 3.134 13.267 -7.711) 15.662 21.283 ( 3.493 12.565 -6.191) 14.436 21.578 ( -4.354 3.380 -8.099) 9.797 21.597 ( -6.813 3.902 -11.308) 13.766 ======================= Grid point 148 (55/120) ======================= q-point: ( 0.44 0.29 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.611 ( 11.479 5.272 -1.469) 12.717 2.745 ( 2.906 -3.270 3.088) 5.355 2.899 ( -2.695 -3.072 -4.395) 6.001 2.966 ( -9.116 -4.379 -2.949) 10.534 3.242 ( 5.728 -5.119 -2.388) 8.045 3.342 ( -0.730 0.081 -5.413) 5.463 3.497 ( 2.311 -7.018 3.012) 7.979 3.617 ( -6.954 -4.079 -0.146) 8.063 3.914 ( -0.382 5.320 -2.953) 6.096 3.974 ( -5.766 4.734 -4.248) 8.585 4.235 ( 1.715 -4.875 4.481) 6.840 4.279 ( -2.648 -7.051 4.675) 8.865 7.625 ( 12.746 18.407 9.235) 24.219 7.831 ( 0.952 11.321 12.823) 17.131 7.929 ( 12.590 9.004 8.272) 17.551 8.227 ( -7.859 1.648 9.354) 12.328 8.601 ( 11.559 -3.291 8.633) 14.798 8.808 ( -7.707 -3.956 6.214) 10.661 9.062 ( 2.554 -7.230 6.850) 10.282 9.127 ( -6.126 -6.394 1.958) 9.069 9.443 ( 7.564 6.845 -5.779) 11.724 9.664 ( -14.534 13.201 -14.275) 24.275 10.227 ( 17.847 -5.260 -6.815) 19.814 10.434 ( -0.307 -6.744 -3.572) 7.638 10.889 ( -5.881 -5.932 -4.600) 9.536 10.925 ( -8.802 -1.278 6.758) 11.170 11.053 ( 6.605 -4.800 4.220) 9.191 11.153 ( -3.524 2.423 -1.357) 4.486 11.913 ( -0.541 14.236 -2.519) 14.467 12.034 ( -10.746 12.468 1.291) 16.511 12.631 ( 2.805 -10.951 -10.918) 15.716 12.700 ( -2.841 -9.674 -10.343) 14.444 13.271 ( 3.300 9.331 -5.417) 11.282 13.315 ( -0.147 7.926 -5.170) 9.465 13.626 ( 16.572 1.912 -6.826) 18.024 13.770 ( 10.680 -2.895 -6.426) 12.796 13.957 ( -7.934 -0.743 -9.169) 12.148 14.039 ( -11.692 -7.096 -8.984) 16.364 14.182 ( 2.179 1.438 2.454) 3.583 14.373 ( -12.823 6.226 -8.606) 16.651 14.716 ( 8.030 0.370 2.779) 8.505 14.895 ( -8.226 -3.423 3.703) 9.649 15.455 ( 11.722 4.719 12.427) 17.723 15.591 ( 1.893 7.126 2.330) 7.732 15.864 ( 11.050 8.394 -4.351) 14.542 16.174 ( -15.144 14.736 -13.625) 25.142 17.028 ( 27.083 5.515 17.638) 32.787 17.167 ( 22.799 -4.820 2.940) 23.488 17.596 ( -16.334 -0.886 9.661) 18.998 17.753 ( -22.783 -3.367 0.807) 23.045 17.882 ( 4.899 -5.638 10.586) 12.956 18.071 ( -8.229 -19.858 4.922) 22.051 18.377 ( 6.081 -17.269 6.477) 19.420 18.527 ( -5.798 -6.805 6.628) 11.129 18.662 ( 1.878 -13.375 17.332) 21.973 18.703 ( -3.985 -15.409 13.317) 20.753 21.331 ( 4.331 11.563 -13.368) 18.198 21.380 ( 4.379 8.240 -9.239) 13.131 21.452 ( -4.978 8.013 -13.939) 16.831 21.500 ( -4.657 4.631 -8.566) 10.794 ======================= Grid point 153 (56/120) ======================= q-point: ( 0.00 0.43 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( 0.000 21.042 5.886) 21.849 2.532 ( 0.000 16.420 8.104) 18.311 2.630 ( 0.000 -9.443 0.756) 9.474 2.958 ( 0.000 -17.366 5.681) 18.271 3.394 ( 0.000 3.573 -5.611) 6.652 3.413 ( 0.000 2.766 -0.435) 2.800 3.766 ( 0.000 5.311 0.037) 5.311 3.893 ( 0.000 -5.281 0.570) 5.312 4.100 ( 0.000 8.180 -7.336) 10.988 4.261 ( 0.000 8.617 -3.828) 9.429 4.309 ( 0.000 -10.545 -11.554) 15.643 4.438 ( 0.000 -9.106 -3.816) 9.873 7.069 ( 0.000 10.189 15.318) 18.397 7.224 ( 0.000 -5.005 12.720) 13.670 7.685 ( 0.000 2.288 25.679) 25.781 7.757 ( 0.000 -2.120 11.547) 11.740 7.857 ( 0.000 3.419 -0.894) 3.534 7.979 ( 0.000 -6.440 -5.582) 8.523 8.610 ( 0.000 19.678 0.760) 19.693 9.043 ( 0.000 -23.325 -1.436) 23.369 9.551 ( 0.000 14.514 1.613) 14.604 9.873 ( 0.000 -18.254 -1.194) 18.293 10.302 ( 0.000 0.243 -11.555) 11.558 10.305 ( 0.000 -0.056 -11.453) 11.453 11.232 ( 0.000 13.720 -5.329) 14.718 11.404 ( 0.000 4.264 10.706) 11.524 11.407 ( 0.000 -3.692 14.235) 14.706 11.491 ( 0.000 -5.011 -13.503) 14.402 12.297 ( 0.000 12.550 -9.570) 15.783 12.582 ( 0.000 -14.752 -4.311) 15.369 12.792 ( 0.000 3.004 4.568) 5.468 12.831 ( 0.000 -0.373 5.372) 5.385 13.085 ( 0.000 4.112 14.492) 15.064 13.093 ( 0.000 1.473 7.548) 7.691 13.261 ( 0.000 -0.640 -4.102) 4.152 13.275 ( 0.000 -3.695 -9.556) 10.245 13.642 ( 0.000 2.049 -8.906) 9.138 13.753 ( 0.000 -7.072 -5.233) 8.798 14.083 ( 0.000 9.847 17.030) 19.672 14.263 ( 0.000 -6.591 14.123) 15.585 14.801 ( 0.000 2.311 1.470) 2.739 14.879 ( 0.000 -4.324 0.903) 4.417 15.227 ( 0.000 5.202 -7.167) 8.855 15.342 ( 0.000 -5.625 -5.519) 7.880 15.978 ( 0.000 7.963 -13.727) 15.869 16.118 ( 0.000 -5.810 -10.498) 11.999 16.267 ( 0.000 35.012 7.139) 35.733 16.983 ( 0.000 -36.916 7.719) 37.714 17.249 ( 0.000 10.256 18.071) 20.778 17.502 ( 0.000 -14.316 11.367) 18.280 18.116 ( 0.000 2.479 -16.150) 16.339 18.117 ( 0.000 2.579 -15.510) 15.723 18.432 ( 0.000 -1.103 -5.455) 5.565 18.439 ( 0.000 -1.384 5.412) 5.586 18.835 ( 0.000 -3.419 -11.448) 11.948 18.876 ( 0.000 -7.287 -4.117) 8.369 21.518 ( 0.000 9.973 2.827) 10.366 21.565 ( 0.000 17.660 4.601) 18.249 21.651 ( 0.000 -3.912 2.069) 4.426 21.870 ( 0.000 -13.047 -1.005) 13.086 ======================= Grid point 154 (57/120) ======================= q-point: ( 0.11 0.43 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( 5.413 18.721 6.716) 20.613 2.533 ( 0.298 15.545 7.012) 17.056 2.672 ( 3.809 -8.991 1.674) 9.907 2.949 ( -0.442 -16.304 4.453) 16.907 3.330 ( -5.322 3.680 -5.638) 8.582 3.398 ( -2.743 -2.434 -2.547) 4.465 3.736 ( -2.726 5.734 0.236) 6.353 3.866 ( -2.743 -6.226 1.310) 6.928 4.118 ( 1.824 9.659 -7.779) 12.536 4.249 ( -1.114 7.504 -3.340) 8.288 4.311 ( -0.225 -8.114 -10.740) 13.462 4.411 ( -2.557 -8.030 -3.248) 9.032 7.100 ( 3.911 10.770 15.799) 19.517 7.282 ( 6.111 -6.131 13.392) 15.946 7.720 ( 1.065 10.181 9.873) 14.222 7.901 ( 9.150 -6.436 6.129) 12.756 7.933 ( 9.062 4.118 5.988) 11.616 8.065 ( 10.883 -7.079 5.934) 14.275 8.714 ( 9.493 16.265 3.643) 19.182 9.103 ( 5.808 -21.719 0.676) 22.493 9.503 ( -4.805 12.567 1.574) 13.546 9.756 ( -9.631 -12.313 -0.630) 15.644 10.301 ( 0.653 1.825 -10.283) 10.464 10.388 ( 5.296 -6.792 -8.386) 12.021 11.183 ( -7.080 6.849 2.029) 10.058 11.252 ( -6.562 10.075 -6.795) 13.811 11.316 ( -8.399 1.692 9.820) 13.032 11.541 ( -1.040 -9.446 -4.922) 10.702 12.318 ( 1.251 10.175 -7.390) 12.638 12.531 ( -3.845 -10.030 -2.829) 11.108 12.701 ( -4.802 3.265 0.178) 5.810 12.785 ( -3.206 -5.409 0.621) 6.319 12.987 ( -4.929 8.988 0.956) 10.295 13.144 ( -4.155 -7.060 -4.836) 9.513 13.287 ( 10.144 3.168 3.258) 11.115 13.328 ( 6.093 -0.027 1.479) 6.270 13.806 ( 8.451 3.895 -4.868) 10.502 13.939 ( 11.586 -8.117 -2.663) 14.395 14.175 ( 9.156 7.603 14.563) 18.807 14.312 ( 5.432 -4.189 12.382) 14.155 14.763 ( -2.454 4.682 -5.009) 7.282 14.902 ( 2.502 -8.024 2.382) 8.736 15.262 ( 2.812 5.894 -4.205) 7.767 15.360 ( 1.185 -3.788 -5.795) 7.024 15.836 ( -11.554 7.026 -10.193) 16.934 15.984 ( -8.638 -7.730 -4.271) 12.353 16.333 ( 6.104 34.454 7.990) 35.892 17.048 ( 4.730 -36.563 6.070) 37.364 17.375 ( 10.674 11.252 16.093) 22.350 17.604 ( 6.008 -7.182 2.921) 9.808 17.919 ( -8.399 2.326 -4.147) 9.651 18.089 ( -7.293 -10.823 -14.675) 19.639 18.454 ( -0.185 1.891 5.470) 5.791 18.479 ( 3.234 0.659 -3.954) 5.151 18.815 ( -4.788 -3.374 -3.791) 6.977 18.863 ( 0.712 -6.977 -8.833) 11.279 21.509 ( -0.823 9.706 1.156) 9.809 21.533 ( -2.548 15.398 2.506) 15.807 21.649 ( -0.401 -2.605 0.848) 2.769 21.820 ( -4.370 -11.206 -2.563) 12.298 ======================= Grid point 155 (58/120) ======================= q-point: ( 0.22 0.43 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( 6.778 12.398 8.499) 16.489 2.560 ( 2.634 10.594 2.959) 11.311 2.776 ( 5.941 -4.538 4.720) 8.841 2.974 ( 3.721 -13.394 1.399) 13.971 3.192 ( -7.283 2.204 -6.651) 10.106 3.281 ( -8.128 -6.984 -5.056) 11.849 3.659 ( -4.500 5.284 0.797) 6.986 3.779 ( -5.345 -6.584 0.788) 8.517 4.150 ( -0.269 7.668 -7.281) 10.578 4.216 ( -1.691 5.372 -1.816) 5.917 4.281 ( -2.788 -3.902 -8.471) 9.734 4.334 ( -4.695 -5.611 -1.636) 7.497 7.268 ( 12.417 11.795 14.244) 22.276 7.487 ( 13.234 -8.433 15.146) 21.810 7.744 ( 2.467 16.784 4.260) 17.491 8.012 ( 4.644 -9.727 -2.168) 10.994 8.237 ( 15.821 8.194 10.207) 20.534 8.409 ( 18.411 -8.721 12.937) 24.132 8.982 ( 15.257 11.515 6.312) 20.130 9.277 ( 6.778 -10.974 4.185) 13.560 9.357 ( -4.582 2.084 1.964) 5.404 9.514 ( -13.099 -8.101 2.166) 15.553 10.319 ( 1.153 3.932 -7.176) 8.264 10.475 ( 1.883 -10.816 -4.884) 12.016 10.933 ( -14.050 13.649 -4.305) 20.056 11.109 ( -10.313 -1.783 3.334) 10.984 11.188 ( -1.244 6.113 -5.081) 8.046 11.400 ( -10.738 -10.316 -2.817) 15.154 12.355 ( 1.813 6.106 -9.019) 11.042 12.470 ( -4.016 -5.061 -9.095) 11.156 12.608 ( -6.029 1.442 -7.701) 9.886 12.635 ( -5.058 -0.908 -7.806) 9.346 13.062 ( 9.241 6.049 3.356) 11.544 13.152 ( 5.197 -1.878 1.465) 5.717 13.432 ( 3.796 1.436 0.137) 4.061 13.470 ( 5.338 -1.856 -0.382) 5.664 13.877 ( -0.080 8.136 -0.065) 8.137 14.092 ( 2.855 -11.403 4.992) 12.771 14.356 ( 5.083 6.700 -0.206) 8.413 14.484 ( 6.273 -6.303 3.089) 9.414 14.793 ( 7.826 9.898 -3.469) 13.086 14.985 ( 4.887 -8.074 -0.319) 9.443 15.281 ( -4.709 3.400 -6.471) 8.696 15.344 ( -1.822 -3.797 -7.393) 8.508 15.669 ( 1.547 13.861 0.741) 13.966 15.939 ( 6.185 -12.857 5.394) 15.253 16.515 ( 11.392 30.821 11.467) 34.803 17.162 ( 6.277 -28.952 6.254) 30.278 17.448 ( -10.736 10.598 -11.806) 19.156 17.697 ( 11.480 9.720 10.227) 18.189 17.831 ( -8.770 -16.262 -4.690) 19.062 18.028 ( 7.535 -15.811 9.987) 20.162 18.414 ( -4.031 -0.033 8.163) 9.104 18.470 ( -5.350 -3.604 1.797) 6.697 18.679 ( -7.302 5.216 -1.050) 9.035 18.835 ( -4.200 -9.312 -2.725) 10.572 21.483 ( -1.680 11.581 -2.868) 12.048 21.492 ( -0.761 9.347 -2.907) 9.818 21.632 ( -1.222 -1.804 -2.610) 3.400 21.714 ( -5.224 -6.878 -6.478) 10.797 ======================= Grid point 156 (59/120) ======================= q-point: ( 0.33 0.43 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( 5.874 6.898 5.828) 10.773 2.636 ( 4.036 1.955 0.511) 4.514 2.899 ( 3.060 2.576 4.837) 6.276 3.059 ( -2.247 -6.799 1.947) 7.420 3.091 ( -6.407 -3.814 -8.724) 11.477 3.124 ( 6.950 -5.996 -4.900) 10.405 3.550 ( -5.947 3.848 1.201) 7.185 3.654 ( -6.504 -6.197 0.306) 8.988 4.090 ( -4.153 6.322 -3.457) 8.317 4.165 ( -4.286 1.067 -4.917) 6.609 4.207 ( -3.705 -0.318 -2.895) 4.713 4.230 ( -4.612 -5.174 0.014) 6.931 7.597 ( 18.006 11.220 12.652) 24.702 7.799 ( 14.504 -8.428 18.693) 25.116 7.851 ( 8.651 18.352 5.644) 21.060 8.116 ( 5.105 -9.316 2.702) 10.961 8.510 ( 9.313 10.485 8.350) 16.322 8.732 ( 10.991 -11.140 10.757) 18.990 9.046 ( -12.390 8.013 -0.309) 14.758 9.214 ( -13.256 -7.498 3.825) 15.703 9.361 ( 14.371 9.245 3.492) 17.441 9.626 ( 17.709 -15.158 1.349) 23.349 10.342 ( -14.686 7.256 -13.286) 21.091 10.351 ( 0.226 3.135 -4.875) 5.801 10.778 ( 2.346 -0.700 1.195) 2.724 10.889 ( -10.168 -8.345 -2.655) 13.420 11.150 ( -4.903 2.988 1.226) 5.871 11.218 ( -4.187 -3.526 -5.229) 7.570 12.270 ( -7.983 8.845 -9.375) 15.161 12.402 ( -1.368 -0.206 -10.009) 10.104 12.481 ( -7.198 0.682 -5.864) 9.309 12.593 ( -1.730 -6.191 -7.960) 10.232 13.300 ( 11.802 5.694 -0.933) 13.137 13.312 ( 9.920 4.471 -0.745) 10.907 13.497 ( 2.146 0.641 -4.250) 4.804 13.529 ( 3.226 -4.410 -1.109) 5.575 13.882 ( 1.177 5.070 -0.877) 5.278 14.085 ( -2.438 -12.577 6.415) 14.328 14.338 ( -7.719 6.442 -6.296) 11.863 14.475 ( -5.866 -7.375 -5.409) 10.866 14.946 ( 3.139 16.371 -4.757) 17.335 15.090 ( -2.488 8.054 -3.421) 9.097 15.172 ( 7.999 -4.473 5.266) 10.570 15.381 ( 3.231 -17.161 -2.157) 17.595 15.891 ( 16.759 21.226 -0.966) 27.062 16.219 ( 18.529 -11.318 3.548) 22.000 16.805 ( 15.867 22.150 14.693) 30.956 17.150 ( -13.736 18.092 -11.572) 25.494 17.333 ( 8.286 -27.347 8.810) 29.902 17.602 ( -10.954 -24.406 -7.831) 27.874 17.962 ( 12.114 10.247 13.529) 20.852 18.165 ( -4.204 -5.210 10.711) 12.631 18.252 ( -11.702 -3.237 9.874) 15.649 18.294 ( -3.604 -10.778 13.491) 17.639 18.550 ( -4.630 4.206 5.067) 8.050 18.686 ( -9.544 -8.755 4.153) 13.600 21.471 ( 0.595 8.348 -8.194) 11.712 21.487 ( 0.444 7.179 -7.934) 10.709 21.600 ( -1.798 -0.877 -6.746) 7.036 21.617 ( -3.920 -2.059 -10.439) 11.339 ======================= Grid point 157 (60/120) ======================= q-point: ( 0.44 0.43 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.692 ( 6.837 2.717 1.303) 7.472 2.722 ( 4.138 0.104 -1.279) 4.333 2.841 ( -4.752 -1.312 -1.132) 5.058 2.884 ( -8.567 -4.433 -3.772) 10.357 3.212 ( 9.676 2.823 0.274) 10.083 3.317 ( 8.945 -5.662 -1.408) 10.680 3.409 ( -7.290 1.964 2.248) 7.878 3.508 ( -7.722 -6.376 0.538) 10.028 4.027 ( -0.932 5.988 -1.963) 6.370 4.064 ( -4.121 4.408 -3.280) 6.868 4.144 ( -1.642 -5.160 0.005) 5.415 4.155 ( -2.473 -5.160 -0.243) 5.727 7.940 ( 12.147 12.489 12.316) 21.336 8.013 ( 7.137 6.009 16.848) 19.259 8.074 ( 7.779 4.580 14.232) 16.853 8.188 ( -0.064 -6.031 12.300) 13.699 8.641 ( 5.410 7.902 5.584) 11.085 8.799 ( -9.127 3.567 2.399) 10.088 8.858 ( 1.721 -11.791 5.961) 13.324 8.956 ( -9.345 -9.995 1.324) 13.747 9.667 ( 14.056 15.481 -8.162) 22.447 9.956 ( -3.924 7.015 -13.397) 15.623 10.016 ( 3.709 -6.273 -11.392) 13.524 10.280 ( -9.840 -12.123 -12.534) 20.022 10.817 ( 5.229 2.247 3.646) 6.759 10.927 ( 9.330 -6.427 4.143) 12.063 10.999 ( -8.498 5.653 3.680) 10.850 11.124 ( -7.149 -5.125 0.601) 8.817 12.182 ( 0.698 13.170 -5.968) 14.476 12.289 ( -8.162 12.609 -3.222) 15.362 12.419 ( 2.104 -11.225 -8.962) 14.517 12.510 ( -5.516 -10.251 -7.473) 13.833 13.456 ( 4.252 9.339 -6.055) 11.915 13.482 ( 1.682 9.064 -3.996) 10.047 13.630 ( 10.565 -6.807 -9.541) 15.779 13.643 ( 6.418 -6.689 -4.181) 10.169 13.899 ( 0.189 3.454 -2.172) 4.085 14.061 ( -5.420 -1.491 0.975) 5.705 14.099 ( -4.111 -1.614 -2.300) 4.979 14.277 ( -11.473 -10.915 -1.898) 15.949 14.995 ( 2.839 21.965 -2.798) 22.324 15.048 ( -1.726 16.293 -0.283) 16.387 15.355 ( 6.372 -12.843 6.773) 15.856 15.421 ( -0.158 -18.870 2.177) 18.995 16.279 ( 18.585 27.135 -8.367) 33.937 16.533 ( 2.278 15.567 -8.609) 17.934 16.924 ( 0.700 -13.451 -5.763) 14.650 17.072 ( 0.114 -10.524 1.771) 10.673 17.454 ( 7.352 -3.491 9.861) 12.785 17.584 ( 12.121 -12.730 12.724) 21.700 17.826 ( -19.623 4.572 15.454) 25.393 17.923 ( -16.884 -3.366 12.619) 21.346 18.215 ( 11.160 2.699 11.114) 15.980 18.377 ( 3.399 -10.238 12.145) 16.244 18.459 ( -7.417 -4.688 9.289) 12.778 18.481 ( -5.748 -6.734 11.405) 14.438 21.499 ( 1.825 5.357 -11.622) 12.927 21.511 ( 1.673 4.353 -10.615) 11.594 21.549 ( -2.526 1.891 -12.352) 12.749 21.558 ( -2.121 0.937 -9.849) 10.118 ======================= Grid point 189 (61/120) ======================= q-point: ( 0.00 0.00 0.30) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 0.000 0.000 29.641) 29.641 2.202 ( 0.000 0.000 29.086) 29.086 2.888 ( 0.000 0.000 -10.821) 10.821 3.046 ( 0.000 0.000 10.375) 10.375 3.143 ( 0.000 0.000 2.308) 2.308 3.516 ( 0.000 0.000 5.150) 5.150 3.779 ( 0.000 0.000 1.117) 1.117 3.885 ( 0.000 0.000 -6.192) 6.192 3.993 ( 0.000 0.000 -5.896) 5.896 4.063 ( 0.000 0.000 2.707) 2.707 4.249 ( 0.000 0.000 -17.701) 17.701 4.700 ( 0.000 0.000 -4.261) 4.261 6.538 ( 0.000 0.000 13.138) 13.138 7.436 ( 0.000 0.000 9.326) 9.326 7.778 ( 0.000 0.000 -3.586) 3.586 7.778 ( 0.000 0.000 -5.508) 5.508 8.270 ( 0.000 0.000 11.745) 11.745 8.387 ( 0.000 0.000 15.932) 15.932 8.745 ( 0.000 0.000 35.391) 35.391 9.157 ( 0.000 0.000 0.640) 0.640 9.592 ( 0.000 0.000 -16.546) 16.546 9.759 ( 0.000 0.000 -6.189) 6.189 10.056 ( 0.000 0.000 -10.783) 10.783 10.597 ( 0.000 0.000 -12.911) 12.911 10.948 ( 0.000 0.000 -15.251) 15.251 11.013 ( 0.000 0.000 14.622) 14.622 11.202 ( 0.000 0.000 -18.594) 18.594 11.779 ( 0.000 0.000 4.263) 4.263 11.987 ( 0.000 0.000 -3.887) 3.887 12.644 ( 0.000 0.000 -11.080) 11.080 12.697 ( 0.000 0.000 14.593) 14.593 12.801 ( 0.000 0.000 7.746) 7.746 13.137 ( 0.000 0.000 15.529) 15.529 13.208 ( 0.000 0.000 -1.841) 1.841 13.387 ( 0.000 0.000 -2.831) 2.831 13.550 ( 0.000 0.000 -16.284) 16.284 13.734 ( 0.000 0.000 12.536) 12.536 13.831 ( 0.000 0.000 -4.428) 4.428 13.835 ( 0.000 0.000 12.116) 12.116 14.070 ( 0.000 0.000 1.029) 1.029 14.724 ( 0.000 0.000 -23.430) 23.430 14.763 ( 0.000 0.000 15.179) 15.179 15.292 ( 0.000 0.000 -16.822) 16.822 15.363 ( 0.000 0.000 28.609) 28.609 15.407 ( 0.000 0.000 -10.495) 10.495 15.663 ( 0.000 0.000 -10.888) 10.888 16.011 ( 0.000 0.000 24.153) 24.153 16.950 ( 0.000 0.000 -33.782) 33.782 17.604 ( 0.000 0.000 -20.291) 20.291 17.637 ( 0.000 0.000 21.369) 21.369 18.198 ( 0.000 0.000 -14.018) 14.018 18.436 ( 0.000 0.000 10.803) 10.803 18.859 ( 0.000 0.000 0.680) 0.680 18.933 ( 0.000 0.000 4.437) 4.437 19.168 ( 0.000 0.000 -15.830) 15.830 19.307 ( 0.000 0.000 -4.152) 4.152 20.961 ( 0.000 0.000 9.074) 9.074 21.094 ( 0.000 0.000 18.686) 18.686 21.682 ( 0.000 0.000 0.813) 0.813 21.840 ( 0.000 0.000 -9.901) 9.901 ======================= Grid point 190 (62/120) ======================= q-point: ( 0.11 0.00 0.30) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( 1.074 0.000 25.543) 25.566 2.317 ( 10.397 0.000 25.711) 27.733 2.899 ( 1.191 0.000 -11.532) 11.593 3.169 ( 2.386 0.000 2.486) 3.446 3.212 ( 10.227 0.000 1.317) 10.311 3.491 ( 1.297 0.000 13.890) 13.950 3.727 ( -6.548 0.000 0.584) 6.574 3.841 ( -1.736 0.000 -10.558) 10.700 3.943 ( -4.647 0.000 -5.901) 7.511 4.107 ( 3.588 0.000 6.128) 7.101 4.185 ( -6.080 0.000 -16.703) 17.775 4.668 ( -2.769 0.000 -2.885) 3.999 6.598 ( 5.495 0.000 13.053) 14.163 7.249 ( -10.207 0.000 16.924) 19.764 7.839 ( 4.905 0.000 -3.500) 6.025 7.860 ( 6.844 0.000 -6.454) 9.407 8.434 ( 4.586 0.000 20.098) 20.615 8.523 ( 16.900 0.000 3.471) 17.253 8.890 ( 13.474 0.000 28.247) 31.296 9.133 ( -2.073 0.000 0.092) 2.075 9.562 ( -2.735 0.000 -12.300) 12.600 9.672 ( -4.574 0.000 -3.155) 5.556 10.253 ( 14.528 0.000 -10.778) 18.089 10.453 ( -12.601 0.000 -12.858) 18.003 10.798 ( -7.708 0.000 -1.069) 7.782 11.113 ( 3.361 0.000 -2.686) 4.302 11.296 ( 7.862 0.000 -12.837) 15.053 11.786 ( -0.210 0.000 5.234) 5.238 11.951 ( -3.521 0.000 -5.054) 6.160 12.427 ( -16.816 0.000 -6.802) 18.140 12.663 ( -8.617 0.000 5.376) 10.157 12.761 ( 1.247 0.000 1.706) 2.113 12.983 ( -11.340 0.000 12.483) 16.864 13.102 ( -6.371 0.000 1.068) 6.460 13.382 ( -1.450 0.000 1.713) 2.244 13.444 ( -4.519 0.000 -7.436) 8.701 13.908 ( 5.894 0.000 -14.583) 15.729 13.967 ( 15.740 0.000 16.953) 23.133 13.993 ( 5.125 0.000 -2.309) 5.621 14.169 ( 14.183 0.000 6.851) 15.751 14.636 ( -9.142 0.000 15.895) 18.337 14.683 ( -3.266 0.000 -21.309) 21.558 15.198 ( -10.592 0.000 -15.209) 18.534 15.462 ( 7.225 0.000 -7.207) 10.206 15.618 ( 18.552 0.000 26.361) 32.235 15.742 ( 9.395 0.000 -13.232) 16.229 16.051 ( 4.196 0.000 27.607) 27.924 16.697 ( -18.941 0.000 -30.078) 35.544 17.583 ( -3.155 0.000 22.466) 22.687 17.801 ( 13.392 0.000 -20.699) 24.653 18.230 ( 2.612 0.000 -13.780) 14.025 18.607 ( 14.698 0.000 13.090) 19.682 18.956 ( 2.101 0.000 4.409) 4.884 18.971 ( 6.192 0.000 -2.994) 6.878 19.095 ( -4.627 0.000 -13.007) 13.805 19.313 ( 0.549 0.000 -3.735) 3.775 20.888 ( -6.702 0.000 6.705) 9.480 21.062 ( -2.797 0.000 16.757) 16.989 21.643 ( -3.651 0.000 -0.251) 3.660 21.695 ( -12.855 0.000 -9.620) 16.056 ======================= Grid point 191 (63/120) ======================= q-point: ( 0.22 0.00 0.30) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( 4.146 0.000 15.846) 16.379 2.594 ( 15.054 0.000 18.367) 23.748 2.935 ( 1.769 0.000 -12.827) 12.949 3.196 ( -7.227 0.000 -2.552) 7.665 3.234 ( 3.476 0.000 2.979) 4.577 3.516 ( -9.369 0.000 2.136) 9.610 3.747 ( 12.002 0.000 3.554) 12.517 3.808 ( -2.573 0.000 -9.960) 10.287 3.816 ( -6.997 0.000 -5.867) 9.131 4.010 ( -10.136 0.000 -14.215) 17.459 4.211 ( 7.918 0.000 13.247) 15.433 4.619 ( -0.842 0.000 1.203) 1.469 6.755 ( 9.336 0.000 12.235) 15.390 7.164 ( 2.787 0.000 17.527) 17.747 7.918 ( 1.068 0.000 -3.581) 3.737 8.041 ( 9.687 0.000 -4.336) 10.613 8.580 ( 9.358 0.000 22.629) 24.487 8.819 ( 11.160 0.000 -5.010) 12.233 9.082 ( -2.489 0.000 -1.680) 3.003 9.271 ( 21.713 0.000 17.582) 27.939 9.494 ( -3.268 0.000 -0.537) 3.312 9.601 ( -3.575 0.000 1.042) 3.724 10.107 ( -17.936 0.000 -2.351) 18.089 10.581 ( 14.777 0.000 -10.126) 17.913 10.687 ( -2.438 0.000 -2.165) 3.261 11.121 ( -2.439 0.000 -8.444) 8.789 11.452 ( 4.769 0.000 0.059) 4.769 11.725 ( -7.729 0.000 9.753) 12.444 11.857 ( -2.107 0.000 -11.573) 11.763 11.949 ( -27.430 0.000 -16.568) 32.046 12.594 ( 2.399 0.000 -3.615) 4.338 12.779 ( 1.800 0.000 2.307) 2.926 12.790 ( -5.313 0.000 5.060) 7.337 13.031 ( -1.160 0.000 3.048) 3.261 13.309 ( -5.152 0.000 4.685) 6.963 13.406 ( 0.142 0.000 -2.738) 2.742 13.979 ( 1.148 0.000 -15.562) 15.605 13.995 ( -1.840 0.000 -12.933) 13.063 14.258 ( 4.345 0.000 8.638) 9.669 14.443 ( 0.822 0.000 -12.237) 12.264 14.553 ( 8.583 0.000 19.819) 21.597 14.663 ( -0.515 0.000 -13.308) 13.318 14.946 ( -2.526 0.000 1.679) 3.033 15.604 ( 4.851 0.000 -5.257) 7.153 16.047 ( 16.853 0.000 -10.630) 19.925 16.098 ( 26.365 0.000 27.501) 38.098 16.180 ( 8.758 0.000 28.631) 29.941 16.284 ( -19.048 0.000 -24.139) 30.750 17.572 ( 3.185 0.000 21.671) 21.904 18.025 ( 6.417 0.000 -15.122) 16.427 18.325 ( 6.024 0.000 -10.666) 12.249 18.754 ( -10.263 0.000 -6.099) 11.939 19.020 ( 3.961 0.000 4.297) 5.844 19.023 ( 13.102 0.000 13.006) 18.462 19.158 ( 2.803 0.000 -1.542) 3.199 19.327 ( 0.651 0.000 -2.391) 2.478 20.707 ( -9.664 0.000 -0.933) 9.709 20.996 ( -2.861 0.000 10.693) 11.069 21.365 ( -17.328 0.000 -11.756) 20.940 21.534 ( -6.574 0.000 -3.092) 7.265 ======================= Grid point 192 (64/120) ======================= q-point: ( 0.33 0.00 0.30) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( 8.670 0.000 4.563) 9.797 2.900 ( 13.455 0.000 11.105) 17.446 2.902 ( -7.561 0.000 -12.060) 14.235 3.087 ( -0.375 0.000 -5.179) 5.192 3.295 ( 1.768 0.000 3.669) 4.073 3.332 ( -7.621 0.000 -1.666) 7.801 3.675 ( -5.863 0.000 -5.943) 8.348 3.728 ( -4.101 0.000 -4.304) 5.945 3.795 ( -9.529 0.000 -11.131) 14.653 3.824 ( -2.774 0.000 -2.825) 3.960 4.461 ( 12.807 0.000 15.220) 19.892 4.644 ( 2.575 0.000 5.805) 6.350 6.984 ( 12.537 0.000 9.737) 15.874 7.360 ( 15.545 0.000 11.086) 19.093 7.841 ( -8.522 0.000 -3.198) 9.102 8.221 ( 6.107 0.000 -1.031) 6.194 8.817 ( 12.963 0.000 22.070) 25.596 8.962 ( -0.021 0.000 -13.412) 13.412 9.059 ( 0.093 0.000 -11.513) 11.513 9.428 ( -3.241 0.000 12.085) 12.512 9.443 ( -8.840 0.000 6.635) 11.053 9.741 ( 21.876 0.000 7.939) 23.272 9.836 ( -6.658 0.000 17.689) 18.901 10.705 ( 3.968 0.000 -5.903) 7.113 10.830 ( 8.740 0.000 -2.932) 9.219 11.001 ( -10.489 0.000 -11.686) 15.703 11.385 ( -23.376 0.000 -17.003) 28.906 11.428 ( -9.629 0.000 11.482) 14.985 11.550 ( -1.444 0.000 7.189) 7.333 11.879 ( 0.434 0.000 -13.966) 13.973 12.662 ( 2.591 0.000 -10.173) 10.498 12.784 ( 2.217 0.000 -4.848) 5.331 12.847 ( 4.264 0.000 2.442) 4.914 13.019 ( -0.383 0.000 1.098) 1.163 13.248 ( 2.761 0.000 0.370) 2.786 13.426 ( 1.748 0.000 -1.227) 2.136 13.895 ( -9.264 0.000 -4.589) 10.338 13.967 ( -0.443 0.000 -15.266) 15.272 14.272 ( -15.273 0.000 -16.257) 22.306 14.326 ( 8.367 0.000 -6.264) 10.453 14.409 ( -12.829 0.000 -18.505) 22.517 14.855 ( 12.435 0.000 13.272) 18.187 15.276 ( 21.643 0.000 17.944) 28.114 15.614 ( -3.469 0.000 -4.683) 5.828 15.967 ( -10.335 0.000 -9.129) 13.789 16.175 ( -2.201 0.000 18.704) 18.833 16.585 ( 25.783 0.000 0.757) 25.794 16.683 ( 28.942 0.000 23.805) 37.474 17.739 ( 11.744 0.000 17.064) 20.715 18.028 ( -6.537 0.000 -4.245) 7.794 18.280 ( -14.481 0.000 -13.673) 19.916 18.657 ( 8.002 0.000 3.192) 8.615 19.082 ( -9.915 0.000 7.244) 12.279 19.115 ( 4.951 0.000 4.067) 6.407 19.261 ( 5.848 0.000 20.050) 20.885 19.330 ( -0.648 0.000 0.036) 0.649 20.544 ( -4.266 0.000 -13.391) 14.054 20.972 ( 1.026 0.000 1.412) 1.746 21.021 ( -14.911 0.000 -16.995) 22.609 21.377 ( -8.287 0.000 -6.550) 10.563 ======================= Grid point 193 (65/120) ======================= q-point: ( 0.44 0.00 0.30) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.387 ( 12.763 0.000 -4.680) 13.594 2.667 ( -13.289 0.000 -9.648) 16.422 3.128 ( 2.930 0.000 -7.036) 7.622 3.136 ( 9.003 0.000 5.847) 10.735 3.204 ( -4.672 0.000 -4.296) 6.347 3.276 ( -4.102 0.000 3.990) 5.723 3.601 ( -0.665 0.000 -6.300) 6.335 3.644 ( -4.619 0.000 -7.696) 8.976 3.682 ( 0.313 0.000 -0.944) 0.994 3.737 ( -4.300 0.000 -1.532) 4.565 4.651 ( 5.081 0.000 12.456) 13.453 4.689 ( 0.857 0.000 9.523) 9.561 7.274 ( 15.017 0.000 5.354) 15.943 7.590 ( -14.534 0.000 0.222) 14.535 7.774 ( 22.551 0.000 3.645) 22.843 8.185 ( -12.485 0.000 1.301) 12.553 8.897 ( -2.794 0.000 -17.469) 17.691 8.938 ( -5.944 0.000 -18.831) 19.747 9.097 ( 12.990 0.000 21.857) 25.426 9.320 ( -7.829 0.000 19.986) 21.465 9.505 ( 10.542 0.000 20.249) 22.829 9.711 ( -7.697 0.000 20.143) 21.563 10.171 ( 19.906 0.000 -4.612) 20.434 10.603 ( -20.933 0.000 -14.446) 25.434 10.873 ( 7.908 0.000 -7.118) 10.640 10.985 ( 7.735 0.000 6.728) 10.252 11.064 ( -10.060 0.000 -10.058) 14.225 11.185 ( -11.299 0.000 11.418) 16.064 11.634 ( 7.314 0.000 1.772) 7.525 11.802 ( -7.319 0.000 -5.536) 9.177 12.722 ( 3.123 0.000 -14.051) 14.394 12.778 ( -2.050 0.000 -11.963) 12.137 12.936 ( 3.943 0.000 0.669) 4.000 12.999 ( -1.901 0.000 0.077) 1.902 13.469 ( 16.172 0.000 -8.556) 18.296 13.499 ( 5.842 0.000 -0.152) 5.844 13.674 ( -10.444 0.000 0.184) 10.446 13.840 ( -17.362 0.000 -15.622) 23.355 14.057 ( 2.787 0.000 -11.984) 12.304 14.194 ( -8.805 0.000 -14.989) 17.384 14.589 ( 15.239 0.000 -12.199) 19.520 14.883 ( -9.950 0.000 -7.016) 12.175 15.625 ( 6.674 0.000 5.618) 8.724 15.700 ( 18.319 0.000 19.890) 27.041 15.797 ( -7.987 0.000 5.111) 9.483 16.021 ( -11.934 0.000 20.873) 24.044 17.150 ( 27.498 0.000 -3.421) 27.710 17.273 ( 26.661 0.000 17.332) 31.799 17.688 ( -21.723 0.000 -4.227) 22.131 17.757 ( -18.872 0.000 7.713) 20.387 18.258 ( 18.361 0.000 8.924) 20.414 18.686 ( -17.500 0.000 5.862) 18.455 18.980 ( 11.062 0.000 16.021) 19.469 19.215 ( 4.460 0.000 3.649) 5.763 19.223 ( -8.713 0.000 19.807) 21.639 19.294 ( -2.864 0.000 2.443) 3.765 20.566 ( 5.950 0.000 -21.079) 21.903 20.751 ( -11.059 0.000 -20.863) 23.613 21.046 ( 5.907 0.000 -6.261) 8.608 21.200 ( -8.340 0.000 -8.517) 11.920 ======================= Grid point 198 (66/120) ======================= q-point: ( 0.00 0.14 0.30) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( 0.000 12.646 26.440) 29.309 2.166 ( 0.000 -1.453 27.078) 27.116 2.851 ( 0.000 -3.500 -9.434) 10.062 3.174 ( 0.000 10.286 4.294) 11.146 3.186 ( 0.000 3.847 1.480) 4.122 3.503 ( 0.000 -1.877 8.951) 9.145 3.741 ( 0.000 -3.448 -0.146) 3.451 3.773 ( 0.000 -7.564 -10.437) 12.890 3.983 ( 0.000 0.117 0.166) 0.204 4.122 ( 0.000 2.158 -2.130) 3.032 4.229 ( 0.000 -2.195 -17.015) 17.156 4.647 ( 0.000 -5.230 -4.755) 7.068 6.678 ( 0.000 13.169 10.434) 16.801 7.431 ( 0.000 -0.501 7.648) 7.665 7.753 ( 0.000 -2.343 -0.895) 2.508 7.806 ( 0.000 2.482 -2.489) 3.515 8.239 ( 0.000 -0.549 12.627) 12.639 8.383 ( 0.000 -0.873 15.670) 15.694 8.678 ( 0.000 -6.511 33.212) 33.844 9.219 ( 0.000 6.029 2.794) 6.646 9.523 ( 0.000 -6.924 -11.177) 13.148 9.855 ( 0.000 8.976 -9.998) 13.436 10.073 ( 0.000 1.558 -10.356) 10.473 10.426 ( 0.000 -13.493 -10.386) 17.028 10.990 ( 0.000 -1.589 8.753) 8.896 11.075 ( 0.000 8.721 -15.937) 18.167 11.286 ( 0.000 8.017 -10.510) 13.219 11.752 ( 0.000 -2.434 5.776) 6.268 11.923 ( 0.000 -4.990 -4.781) 6.911 12.660 ( 0.000 0.682 -13.707) 13.724 12.764 ( 0.000 3.686 8.146) 8.941 12.908 ( 0.000 12.435 13.648) 18.464 13.084 ( 0.000 -8.732 -0.302) 8.738 13.136 ( 0.000 -0.658 11.811) 11.829 13.409 ( 0.000 -1.719 -5.042) 5.327 13.579 ( 0.000 -10.885 11.017) 15.487 13.654 ( 0.000 8.570 -9.780) 13.004 13.697 ( 0.000 -8.516 -8.700) 12.174 14.025 ( 0.000 10.189 14.923) 18.069 14.049 ( 0.000 1.147 -0.823) 1.412 14.693 ( 0.000 -2.877 -22.560) 22.742 14.931 ( 0.000 14.013 13.077) 19.167 15.305 ( 0.000 1.118 -4.303) 4.445 15.313 ( 0.000 -6.797 -8.751) 11.081 15.440 ( 0.000 7.512 15.845) 17.535 15.700 ( 0.000 2.095 -4.159) 4.657 16.057 ( 0.000 4.612 16.480) 17.114 17.033 ( 0.000 8.124 -32.235) 33.243 17.601 ( 0.000 -2.068 16.251) 16.382 17.642 ( 0.000 2.311 -14.914) 15.093 18.170 ( 0.000 -3.543 -9.732) 10.357 18.316 ( 0.000 -12.604 5.108) 13.600 18.715 ( 0.000 -18.392 4.684) 18.979 18.823 ( 0.000 -3.402 0.756) 3.485 19.101 ( 0.000 -18.577 -2.753) 18.780 19.116 ( 0.000 -5.617 -11.332) 12.648 21.100 ( 0.000 12.426 7.649) 14.591 21.187 ( 0.000 8.956 15.974) 18.314 21.692 ( 0.000 1.119 0.727) 1.335 21.890 ( 0.000 3.592 -9.681) 10.326 ======================= Grid point 199 (67/120) ======================= q-point: ( 0.11 0.14 0.30) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( 0.564 11.128 22.062) 24.716 2.296 ( 10.779 -0.446 24.822) 27.065 2.870 ( 1.765 -2.939 -10.049) 10.617 3.151 ( -1.430 -0.213 -0.316) 1.480 3.314 ( 5.955 6.134 -0.092) 8.550 3.508 ( 3.996 1.109 14.721) 15.294 3.684 ( -5.209 -3.194 -0.803) 6.162 3.751 ( -1.448 -6.129 -11.633) 13.228 3.956 ( -3.415 0.471 -3.614) 4.994 4.121 ( 0.625 0.254 1.401) 1.555 4.184 ( -3.824 -0.221 -14.607) 15.101 4.612 ( -2.920 -5.318 -3.471) 6.990 6.744 ( 6.079 13.809 10.656) 18.472 7.279 ( -8.194 3.216 16.018) 18.277 7.849 ( 6.880 -0.929 -3.692) 7.863 7.871 ( 6.140 2.790 -3.330) 7.522 8.369 ( 3.564 -4.970 19.183) 20.135 8.489 ( 15.122 -3.487 8.228) 17.565 8.840 ( 13.369 -4.326 23.701) 27.553 9.192 ( -2.076 5.727 3.491) 7.021 9.543 ( 1.906 -3.786 -7.816) 8.891 9.730 ( -7.621 6.199 -5.564) 11.290 10.232 ( 10.697 -2.712 -10.565) 15.278 10.427 ( -2.735 -1.377 -9.952) 10.413 10.842 ( -12.034 2.697 -9.893) 15.810 10.972 ( -1.754 -6.452 3.230) 7.425 11.464 ( 9.882 10.496 -10.406) 17.779 11.721 ( -3.342 -6.252 6.671) 9.734 11.920 ( -1.334 -1.875 -6.000) 6.426 12.470 ( -14.755 3.124 -11.954) 19.245 12.655 ( -9.277 0.344 2.271) 9.557 12.910 ( -4.201 9.904 3.354) 11.269 12.962 ( -9.322 0.801 12.129) 15.318 13.027 ( -3.298 -5.627 2.092) 6.849 13.351 ( -2.289 -4.221 0.845) 4.876 13.555 ( -1.029 7.653 -2.323) 8.063 13.798 ( 15.955 -10.204 9.031) 20.982 13.895 ( 6.172 0.820 -10.825) 12.488 14.006 ( -0.114 -0.428 -7.451) 7.464 14.274 ( 17.539 7.873 13.486) 23.484 14.629 ( -4.931 -3.133 -16.155) 17.178 14.848 ( -5.312 16.274 10.003) 19.827 15.234 ( -8.185 1.947 -14.213) 16.516 15.321 ( -0.373 -7.448 -10.255) 12.680 15.600 ( 14.964 -3.488 23.197) 27.824 15.827 ( 12.118 5.713 -0.703) 13.415 16.103 ( 4.995 5.498 19.402) 20.775 16.792 ( -17.547 9.231 -27.767) 34.120 17.577 ( -1.362 -0.239 21.658) 21.702 17.827 ( 12.659 2.313 -20.535) 24.234 18.210 ( 2.717 -2.045 -13.918) 14.327 18.456 ( 12.517 -17.247 10.302) 23.670 18.733 ( 1.676 -16.640 4.388) 17.290 18.936 ( 7.592 -4.252 -2.150) 8.963 19.047 ( -5.102 -5.422 -8.311) 11.158 19.103 ( 0.230 -18.874 -1.302) 18.920 21.037 ( -5.783 13.182 5.414) 15.379 21.152 ( -3.112 8.626 14.163) 16.873 21.653 ( -3.864 1.290 -0.671) 4.129 21.761 ( -11.343 4.776 -9.328) 15.443 ======================= Grid point 200 (68/120) ======================= q-point: ( 0.22 0.14 0.30) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 3.265 10.076 13.405) 17.085 2.573 ( 14.675 -1.529 18.442) 23.618 2.919 ( 2.528 -1.586 -11.415) 11.798 3.098 ( -3.873 -4.922 -1.241) 6.385 3.289 ( -4.163 -0.369 1.928) 4.603 3.513 ( -7.228 0.076 -0.104) 7.229 3.679 ( -2.014 -7.836 -2.874) 8.586 3.784 ( 8.196 3.192 -1.623) 8.944 3.848 ( -5.894 0.246 -8.130) 10.045 4.044 ( -7.438 2.292 -12.772) 14.956 4.203 ( 6.198 -0.826 9.737) 11.572 4.557 ( -1.407 -5.810 0.218) 5.982 6.917 ( 10.184 15.529 10.696) 21.430 7.219 ( 3.286 5.826 17.627) 18.853 7.960 ( 2.866 3.060 -3.197) 5.272 8.056 ( 10.260 2.484 -2.578) 10.866 8.490 ( 8.765 -8.539 21.597) 24.823 8.808 ( 13.754 -1.331 -0.486) 13.827 9.033 ( -0.688 -3.672 -1.238) 3.936 9.272 ( 13.830 0.664 16.831) 21.795 9.563 ( -2.558 4.983 -0.713) 5.646 9.638 ( 1.701 2.611 4.166) 5.203 10.152 ( -19.747 5.700 -5.756) 21.344 10.452 ( 7.904 -9.705 -7.967) 14.837 10.766 ( 2.669 4.721 -5.813) 7.950 10.946 ( 0.180 -12.089 -4.253) 12.816 11.559 ( -6.528 -0.641 7.238) 9.768 11.648 ( -1.570 -2.845 1.715) 3.674 11.836 ( -4.965 2.463 -13.764) 14.838 12.058 ( -21.172 6.993 -18.262) 28.821 12.561 ( 0.426 -2.838 -3.503) 4.528 12.734 ( -5.182 -4.107 2.754) 7.163 12.910 ( 0.114 9.421 3.466) 10.039 13.008 ( 0.918 0.237 4.256) 4.360 13.312 ( -2.201 0.511 4.364) 4.915 13.551 ( 0.184 12.448 -1.896) 12.593 13.867 ( -5.474 -6.143 -9.310) 12.424 14.038 ( 1.726 4.242 -11.061) 11.972 14.149 ( 13.007 -11.183 1.057) 17.186 14.539 ( 2.348 3.032 -7.798) 8.690 14.579 ( 0.673 -0.425 -4.664) 4.732 14.771 ( -5.684 18.349 3.006) 19.443 15.041 ( 3.686 7.374 6.212) 10.322 15.405 ( 5.393 -15.738 -3.785) 17.062 15.908 ( 12.109 -12.212 8.916) 19.372 16.172 ( 11.499 4.605 2.339) 12.606 16.231 ( 9.521 7.652 12.917) 17.777 16.489 ( -3.360 14.622 -4.142) 15.564 17.595 ( 3.792 2.871 20.071) 20.627 18.027 ( 5.170 -0.746 -15.551) 16.405 18.307 ( 6.092 -1.352 -10.612) 12.311 18.684 ( -7.070 -7.524 -3.132) 10.789 18.696 ( 5.149 -25.843 3.184) 26.542 18.982 ( 6.019 -8.102 11.317) 15.164 19.058 ( -0.426 -11.841 -3.446) 12.339 19.159 ( 5.254 -11.788 3.907) 13.485 20.882 ( -8.125 15.140 -1.359) 17.236 21.077 ( -3.468 7.787 8.389) 11.960 21.450 ( -15.461 6.923 -11.461) 20.453 21.558 ( -6.705 2.101 -3.409) 7.810 ======================= Grid point 201 (69/120) ======================= q-point: ( 0.33 0.14 0.30) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( 7.306 7.827 3.722) 11.336 2.860 ( 11.749 -3.644 11.871) 17.094 2.898 ( -7.057 -0.422 -9.907) 12.170 3.042 ( 0.798 -3.677 -5.906) 7.003 3.221 ( -1.968 -4.496 0.101) 4.909 3.372 ( -5.750 -0.577 0.649) 5.815 3.613 ( -2.882 -3.947 -3.569) 6.052 3.707 ( -6.198 -0.771 -6.865) 9.281 3.839 ( -3.661 2.327 -3.057) 5.307 3.885 ( -6.274 5.233 -8.959) 12.125 4.400 ( 10.123 -5.654 12.023) 16.703 4.565 ( 1.532 -7.467 4.514) 8.859 7.156 ( 12.461 16.727 9.791) 23.042 7.423 ( 15.937 6.441 11.450) 20.654 7.932 ( -6.004 8.205 -2.146) 10.391 8.251 ( 6.990 3.563 0.479) 7.860 8.720 ( 12.424 -8.731 18.027) 23.570 8.941 ( -1.458 -2.686 -7.285) 7.900 9.087 ( 6.644 3.047 -6.776) 9.967 9.391 ( -6.620 -4.380 3.464) 8.661 9.478 ( -5.378 2.542 10.602) 12.157 9.788 ( -2.063 4.582 12.623) 13.586 9.845 ( 9.317 1.964 9.598) 13.520 10.573 ( 3.371 -14.144 -6.724) 16.020 10.809 ( 1.375 2.610 -4.527) 5.403 11.003 ( 3.400 -2.750 -8.962) 9.972 11.299 ( -15.897 -5.034 -1.503) 16.742 11.449 ( -14.838 -3.269 8.681) 17.499 11.653 ( -5.416 10.027 -5.778) 12.777 11.922 ( 0.074 5.213 -15.267) 16.132 12.584 ( 1.075 -7.656 -9.733) 12.430 12.680 ( -1.739 -7.112 -5.148) 8.950 12.964 ( 3.854 10.861 3.728) 12.112 13.077 ( 5.661 3.300 0.772) 6.598 13.274 ( 0.612 3.016 0.611) 3.138 13.566 ( 1.490 12.941 -3.234) 13.422 13.749 ( -4.762 -9.963 -9.369) 14.481 14.033 ( -1.973 8.666 -9.302) 12.865 14.215 ( -4.972 -7.900 -12.768) 15.816 14.324 ( -18.370 -0.643 -16.549) 24.733 14.690 ( 4.630 25.619 -6.046) 26.726 14.782 ( 14.228 -6.972 12.373) 20.103 15.355 ( 13.986 5.744 13.093) 20.001 15.489 ( 4.190 -13.855 6.414) 15.832 15.899 ( -12.311 1.095 -7.837) 14.635 16.136 ( 2.156 -7.300 -0.602) 7.635 16.722 ( 24.084 6.587 10.553) 27.107 16.749 ( 23.181 10.698 22.031) 33.722 17.753 ( 10.842 1.669 15.633) 19.097 18.017 ( -6.718 -2.158 -6.850) 9.835 18.266 ( -14.538 -0.297 -9.033) 17.118 18.580 ( 6.610 -8.538 2.249) 11.029 18.796 ( 1.069 -25.184 3.954) 25.515 18.943 ( -7.073 -14.886 1.037) 16.513 19.176 ( 6.277 -8.340 18.492) 21.235 19.225 ( 1.094 -9.657 7.854) 12.496 20.744 ( -4.000 16.705 -11.476) 20.658 21.030 ( -1.206 6.523 -2.044) 6.942 21.144 ( -12.209 9.679 -14.404) 21.218 21.405 ( -7.844 2.551 -6.700) 10.626 ======================= Grid point 202 (70/120) ======================= q-point: ( 0.44 0.14 0.30) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( 11.172 4.782 -4.332) 12.902 2.685 ( -11.947 1.689 -8.598) 14.816 3.027 ( 4.062 -6.912 3.373) 8.698 3.063 ( -0.023 -6.545 -1.532) 6.722 3.222 ( 2.253 0.593 -3.733) 4.401 3.283 ( -3.127 -1.004 0.533) 3.327 3.573 ( -0.673 -2.545 -4.249) 4.998 3.603 ( -3.511 -1.897 -5.365) 6.687 3.760 ( -1.274 5.245 -2.411) 5.912 3.790 ( -3.440 4.845 -2.725) 6.537 4.552 ( 4.229 -9.233 10.377) 14.519 4.590 ( 0.203 -9.309 8.040) 12.302 7.434 ( 14.064 15.432 6.488) 21.864 7.721 ( -12.165 12.565 1.760) 17.577 7.846 ( 21.834 7.416 4.100) 23.420 8.240 ( -11.030 5.668 2.703) 12.692 8.872 ( 1.233 -2.390 -9.450) 9.825 8.963 ( -9.345 2.937 -16.285) 19.004 9.048 ( 12.761 -4.894 14.336) 19.807 9.307 ( -10.401 -2.758 15.077) 18.523 9.467 ( 10.764 -3.862 16.756) 20.287 9.672 ( -7.372 -2.949 18.548) 20.176 10.179 ( 16.139 0.444 -2.260) 16.303 10.493 ( -12.247 -9.237 -11.019) 18.888 10.884 ( 6.380 0.035 -4.582) 7.855 11.008 ( -2.934 2.958 -0.001) 4.166 11.092 ( -1.617 0.105 -4.891) 5.152 11.189 ( -9.325 -0.430 10.214) 13.837 11.671 ( 5.929 4.715 -1.042) 7.646 11.835 ( -7.839 4.516 -6.127) 10.926 12.611 ( 1.611 -10.269 -12.507) 16.263 12.646 ( -1.542 -8.902 -11.223) 14.407 13.041 ( 3.566 9.011 1.110) 9.754 13.108 ( -2.398 7.962 -0.458) 8.328 13.458 ( 14.214 -0.224 -7.779) 16.205 13.605 ( 0.993 8.414 -5.302) 9.994 13.698 ( 0.512 -2.795 -7.440) 7.964 13.889 ( -15.720 5.986 -10.744) 19.960 14.028 ( -2.530 3.922 -9.262) 10.372 14.082 ( -6.376 -6.461 -11.120) 14.354 14.866 ( 10.620 22.359 -7.862) 25.971 15.004 ( 2.167 4.702 2.352) 5.686 15.406 ( 1.315 -9.559 4.171) 10.512 15.540 ( -7.597 -12.980 5.720) 16.091 15.870 ( 11.691 4.799 11.079) 16.806 16.089 ( -7.126 -1.163 10.180) 12.480 17.212 ( 24.197 5.635 1.672) 24.901 17.293 ( 24.766 2.156 16.559) 29.870 17.721 ( -20.178 2.629 -2.740) 20.533 17.770 ( -16.733 1.586 7.941) 18.590 18.194 ( 15.782 -5.924 9.489) 19.345 18.583 ( -17.820 -13.823 7.904) 23.898 18.772 ( 8.695 -14.011 3.976) 16.963 18.885 ( -1.712 -21.937 4.226) 22.406 19.219 ( 0.135 -7.505 13.122) 15.117 19.235 ( -0.741 -7.261 16.606) 18.140 20.743 ( 3.847 15.025 -18.769) 24.349 20.884 ( -9.086 11.583 -19.666) 24.566 21.106 ( 4.710 5.511 -6.984) 10.066 21.241 ( -7.610 3.718 -8.790) 12.206 ======================= Grid point 207 (71/120) ======================= q-point: ( 0.00 0.29 0.30) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( 0.000 6.507 19.454) 20.513 2.415 ( 0.000 18.341 19.473) 26.751 2.761 ( 0.000 -5.658 -5.216) 7.695 3.261 ( 0.000 2.920 -0.959) 3.073 3.269 ( 0.000 -4.770 1.642) 5.045 3.468 ( 0.000 -0.878 6.079) 6.142 3.687 ( 0.000 -0.551 -1.855) 1.935 3.694 ( 0.000 1.557 -12.376) 12.474 4.006 ( 0.000 1.220 -3.068) 3.301 4.119 ( 0.000 -0.928 -1.161) 1.486 4.161 ( 0.000 -4.874 -15.916) 16.645 4.512 ( 0.000 -8.127 -5.558) 9.846 6.980 ( 0.000 15.948 5.229) 16.783 7.416 ( 0.000 -1.109 4.347) 4.486 7.726 ( 0.000 0.872 5.260) 5.332 7.854 ( 0.000 1.945 -1.320) 2.351 8.244 ( 0.000 -1.418 17.761) 17.818 8.431 ( 0.000 9.187 12.970) 15.895 8.510 ( 0.000 -10.223 31.890) 33.489 9.322 ( 0.000 -8.620 -4.146) 9.565 9.392 ( 0.000 6.594 3.789) 7.605 10.038 ( 0.000 7.660 -10.298) 12.835 10.100 ( 0.000 0.036 -9.805) 9.805 10.145 ( 0.000 -13.883 -4.821) 14.696 10.991 ( 0.000 2.782 4.646) 5.415 11.206 ( 0.000 3.835 -16.237) 16.684 11.486 ( 0.000 11.543 -1.780) 11.680 11.702 ( 0.000 -2.215 8.958) 9.228 11.854 ( 0.000 -0.614 -11.263) 11.280 12.620 ( 0.000 -6.676 -19.376) 20.494 12.830 ( 0.000 3.357 6.979) 7.744 12.931 ( 0.000 -5.400 2.970) 6.163 13.118 ( 0.000 -1.382 3.379) 3.651 13.202 ( 0.000 12.926 12.604) 18.054 13.294 ( 0.000 -7.530 -2.125) 7.824 13.377 ( 0.000 -8.200 6.963) 10.757 13.515 ( 0.000 -7.578 -9.926) 12.488 13.794 ( 0.000 4.319 1.811) 4.683 14.164 ( 0.000 8.786 -6.942) 11.197 14.220 ( 0.000 9.719 15.766) 18.521 14.630 ( 0.000 -2.841 -19.099) 19.309 15.142 ( 0.000 0.021 17.156) 17.156 15.184 ( 0.000 -2.723 -12.619) 12.909 15.325 ( 0.000 0.663 -0.139) 0.677 15.629 ( 0.000 11.245 9.838) 14.941 15.839 ( 0.000 15.371 -1.082) 15.409 16.154 ( 0.000 4.953 12.527) 13.470 17.235 ( 0.000 11.579 -27.647) 29.974 17.545 ( 0.000 -2.784 19.141) 19.342 17.713 ( 0.000 4.600 -18.819) 19.373 17.834 ( 0.000 -30.936 9.636) 32.402 18.133 ( 0.000 -5.479 -13.691) 14.746 18.383 ( 0.000 -13.299 4.488) 14.036 18.703 ( 0.000 -19.111 -8.947) 21.102 18.755 ( 0.000 -3.544 5.394) 6.454 18.973 ( 0.000 -8.220 -5.903) 10.120 21.364 ( 0.000 13.237 5.340) 14.273 21.407 ( 0.000 12.697 10.209) 16.292 21.713 ( 0.000 0.530 1.101) 1.222 21.922 ( 0.000 -1.096 -7.158) 7.241 ======================= Grid point 208 (72/120) ======================= q-point: ( 0.11 0.29 0.30) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( 6.728 6.958 15.872) 18.590 2.423 ( 1.589 15.150 18.708) 24.125 2.792 ( 2.957 -4.834 -5.476) 7.881 3.150 ( -5.846 -0.665 -1.063) 5.979 3.303 ( -2.147 -6.406 2.334) 7.149 3.511 ( 1.773 -6.171 2.129) 6.764 3.625 ( -2.487 2.724 -3.006) 4.759 3.746 ( 3.936 5.078 -8.120) 10.355 3.960 ( -4.662 -0.824 -4.940) 6.842 4.108 ( -0.574 -0.639 -4.870) 4.945 4.161 ( 0.063 -2.075 -9.240) 9.470 4.482 ( -2.677 -7.582 -4.583) 9.255 7.061 ( 7.357 16.548 6.416) 19.213 7.371 ( -1.902 5.651 11.168) 12.660 7.822 ( 7.514 -1.078 1.862) 7.816 7.941 ( 8.343 3.325 -1.144) 9.054 8.283 ( -4.689 -3.544 22.433) 23.190 8.417 ( 14.321 -3.135 12.705) 19.400 8.768 ( 14.719 -1.374 17.959) 23.261 9.337 ( -1.504 7.122 5.154) 8.919 9.411 ( 5.003 -7.763 -2.368) 9.535 9.842 ( -9.497 2.928 -2.459) 10.238 10.141 ( 3.041 -5.228 -9.346) 11.132 10.387 ( 14.022 -4.713 -8.648) 17.135 10.892 ( -17.122 7.446 -6.880) 19.898 10.989 ( -6.416 4.837 -1.538) 8.181 11.546 ( -4.406 -6.332 -3.987) 8.683 11.631 ( 0.487 0.485 5.533) 5.576 11.934 ( 3.731 4.670 -10.672) 12.232 12.483 ( -11.598 -3.622 -20.576) 23.896 12.672 ( -11.260 1.568 3.369) 11.857 12.901 ( -15.636 -2.903 4.451) 16.515 12.936 ( -0.940 -1.809 2.936) 3.574 13.153 ( -1.551 1.947 4.700) 5.318 13.295 ( 5.416 5.714 2.959) 8.411 13.504 ( 9.675 -9.230 8.412) 15.798 13.724 ( 8.991 -0.643 -1.396) 9.122 13.937 ( 10.227 2.228 -5.166) 11.673 14.085 ( -2.849 9.063 -7.718) 12.240 14.424 ( 13.152 6.001 9.363) 17.224 14.557 ( -4.699 -2.171 -12.019) 13.086 15.108 ( -2.186 1.582 6.736) 7.257 15.148 ( -2.008 0.254 -13.183) 13.338 15.411 ( 2.807 -0.797 -3.712) 4.722 15.490 ( -6.868 6.427 12.986) 16.034 15.986 ( 11.351 9.637 6.969) 16.440 16.221 ( 6.927 7.145 16.928) 19.636 17.028 ( -14.463 14.304 -23.258) 30.898 17.588 ( 3.923 1.147 17.368) 17.843 17.859 ( 7.526 -1.036 -19.245) 20.690 17.928 ( 7.464 -32.324 7.201) 33.947 18.159 ( 4.079 -3.945 -12.204) 13.458 18.439 ( 5.077 -12.791 6.327) 15.146 18.718 ( 0.866 -17.554 -2.199) 17.712 18.832 ( 6.180 -5.774 -0.477) 8.471 18.911 ( -5.220 -7.602 -3.709) 9.939 21.314 ( -4.606 13.801 3.424) 14.947 21.363 ( -3.910 12.044 8.651) 15.336 21.678 ( -3.347 0.732 -0.168) 3.431 21.820 ( -9.200 0.332 -7.561) 11.913 ======================= Grid point 209 (73/120) ======================= q-point: ( 0.22 0.29 0.30) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.379 ( 1.769 13.844 7.446) 15.819 2.569 ( 11.205 1.839 17.106) 20.531 2.876 ( 4.618 -2.614 -6.296) 8.234 3.030 ( -5.399 -2.171 -1.810) 6.094 3.208 ( -5.707 -6.466 0.661) 8.650 3.421 ( -7.585 -10.220 -2.044) 12.890 3.613 ( -1.213 1.299 0.366) 1.815 3.825 ( -6.313 -1.794 -5.423) 8.513 3.875 ( 4.813 4.852 -7.086) 9.845 4.071 ( -3.510 0.492 -11.375) 11.914 4.186 ( 2.971 -0.528 2.654) 4.019 4.422 ( -2.372 -7.319 -1.675) 7.874 7.273 ( 12.904 17.713 8.856) 23.636 7.401 ( 5.054 13.267 14.454) 20.261 7.986 ( 7.407 -0.406 0.036) 7.418 8.174 ( 12.179 8.802 0.494) 15.035 8.283 ( 5.424 -11.324 21.255) 24.686 8.757 ( 16.338 -4.287 5.637) 17.807 8.989 ( 3.170 0.363 1.600) 3.569 9.322 ( 2.802 4.687 14.319) 15.325 9.578 ( 7.952 -4.690 0.451) 9.243 9.681 ( -4.389 0.390 6.522) 7.871 10.193 ( -0.222 -5.807 -9.961) 11.532 10.429 ( -20.705 12.049 -6.524) 24.828 10.671 ( 11.068 -10.353 -6.892) 16.649 10.921 ( -1.436 7.345 -1.404) 7.615 11.363 ( -10.076 -13.218 3.096) 16.906 11.591 ( -8.042 -6.970 2.551) 10.943 11.979 ( 1.549 9.439 -14.550) 17.412 12.167 ( -16.059 3.741 -20.531) 26.333 12.498 ( -5.139 -2.954 -4.311) 7.329 12.636 ( -7.223 -5.659 -0.174) 9.177 13.001 ( 5.675 4.318 2.841) 7.676 13.147 ( 0.659 7.029 6.691) 9.727 13.371 ( 1.637 6.881 2.030) 7.359 13.670 ( 1.588 -3.833 3.418) 5.375 13.825 ( 2.496 -4.524 2.185) 5.610 14.005 ( 0.998 8.763 -11.758) 14.698 14.185 ( 7.169 6.829 -5.812) 11.480 14.457 ( -0.846 -7.336 -10.398) 12.754 14.638 ( -0.925 5.527 -5.585) 7.911 15.123 ( 1.436 -10.209 -3.980) 11.051 15.151 ( 7.890 2.738 7.572) 11.273 15.262 ( -4.408 27.515 5.123) 28.333 15.609 ( 8.337 -18.041 5.090) 20.516 16.222 ( 7.222 -0.602 4.849) 8.720 16.447 ( 14.521 14.266 17.469) 26.825 16.784 ( -4.656 15.828 -8.326) 18.480 17.693 ( 5.540 5.439 15.200) 17.068 17.919 ( -0.304 -12.402 -15.602) 19.933 18.088 ( 7.223 -30.687 5.934) 32.080 18.310 ( 7.995 0.108 -8.728) 11.837 18.513 ( -2.350 -9.051 -0.776) 9.383 18.717 ( -2.429 -13.427 1.569) 13.735 18.823 ( 2.504 -10.946 9.907) 14.975 18.965 ( 4.357 -9.756 1.287) 10.762 21.191 ( -6.577 14.867 -1.900) 16.368 21.266 ( -4.728 10.634 3.622) 12.188 21.562 ( -10.322 3.432 -7.908) 13.448 21.597 ( -8.290 1.348 -5.330) 9.948 ======================= Grid point 210 (74/120) ======================= q-point: ( 0.33 0.29 0.30) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( 4.119 11.160 1.705) 12.018 2.784 ( 7.820 -3.672 11.711) 14.553 2.886 ( -5.561 -0.571 -4.661) 7.278 2.980 ( 0.067 -2.356 -6.598) 7.006 3.132 ( 0.874 -4.332 -2.392) 5.025 3.280 ( -4.512 -7.536 1.786) 8.964 3.563 ( -3.134 -1.549 -0.400) 3.519 3.680 ( -6.688 -2.485 -6.716) 9.798 3.909 ( -1.574 4.760 -3.163) 5.928 3.975 ( -4.802 3.774 -8.755) 10.675 4.275 ( 4.355 -6.266 5.124) 9.191 4.393 ( -0.743 -9.183 1.959) 9.419 7.563 ( 10.902 21.558 10.800) 26.462 7.610 ( 18.517 13.670 10.867) 25.452 8.096 ( 2.075 6.961 1.324) 7.383 8.374 ( 7.299 7.309 6.301) 12.099 8.515 ( 14.178 -9.908 14.202) 22.380 8.899 ( -3.447 -0.039 -4.474) 5.648 9.106 ( 12.243 -3.435 6.311) 14.195 9.346 ( -5.917 1.442 -0.725) 6.134 9.465 ( -10.379 -3.877 9.035) 14.296 9.828 ( -1.343 -1.030 2.427) 2.959 9.949 ( -3.175 4.354 2.679) 6.018 10.315 ( 2.076 -8.080 -4.822) 9.636 10.804 ( 1.442 -4.563 -6.647) 8.191 10.971 ( 5.977 1.657 -2.971) 6.877 11.178 ( -6.833 -6.915 1.486) 9.835 11.346 ( -12.279 -6.633 8.456) 16.318 11.854 ( -8.073 10.016 -12.909) 18.225 12.066 ( 0.579 7.838 -15.678) 17.538 12.414 ( -3.243 -8.212 -9.179) 12.736 12.544 ( -3.145 -7.006 -7.704) 10.878 13.140 ( 5.074 4.391 -0.389) 6.721 13.203 ( 6.685 10.847 5.160) 13.747 13.373 ( -0.691 6.528 -0.459) 6.580 13.585 ( -4.650 -3.743 -4.215) 7.308 13.887 ( 0.002 14.879 -5.233) 15.772 13.981 ( -3.002 -10.489 -8.821) 14.030 14.258 ( -1.588 8.262 -3.587) 9.146 14.382 ( -9.404 4.708 -12.787) 16.556 14.631 ( 8.870 -2.780 4.065) 10.145 15.125 ( -1.406 -12.842 4.896) 13.815 15.276 ( 6.249 28.314 -2.543) 29.106 15.459 ( 15.078 -0.111 13.933) 20.529 15.770 ( 6.485 -18.138 0.785) 19.278 16.149 ( -10.491 11.319 -14.242) 21.000 16.807 ( 19.231 3.400 10.592) 22.217 16.971 ( 18.788 8.752 19.399) 28.389 17.778 ( 0.364 -4.686 5.113) 6.946 17.905 ( 0.790 -8.222 -2.503) 8.631 18.213 ( 3.918 -21.351 5.954) 22.509 18.302 ( -14.379 -0.071 0.266) 14.382 18.428 ( 2.969 -6.260 0.484) 6.945 18.675 ( -1.952 -10.891 1.335) 11.145 18.944 ( 5.723 -15.104 16.870) 23.355 19.002 ( -0.331 -12.394 9.479) 15.607 21.072 ( -4.038 15.340 -9.537) 18.509 21.191 ( -2.151 8.822 -4.110) 9.967 21.320 ( -10.325 7.174 -13.387) 18.365 21.454 ( -6.805 1.790 -7.108) 10.002 ======================= Grid point 211 (75/120) ======================= q-point: ( 0.44 0.29 0.30) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.555 ( 7.264 6.797 -3.315) 10.486 2.725 ( -8.496 2.213 -5.231) 10.220 2.891 ( 2.723 -6.613 4.215) 8.301 2.940 ( -2.432 -5.682 -0.532) 6.204 3.216 ( 4.125 -0.874 -2.754) 5.036 3.251 ( 0.423 -0.795 -1.233) 1.527 3.506 ( -1.130 -4.331 -2.198) 4.987 3.555 ( -5.051 -3.595 -5.653) 8.390 3.872 ( -0.554 6.164 -1.679) 6.412 3.897 ( -2.629 5.749 -2.770) 6.902 4.342 ( 2.188 -11.090 5.649) 12.637 4.376 ( -1.144 -11.476 4.753) 12.474 7.807 ( 12.156 20.785 9.371) 25.837 8.021 ( 0.507 16.491 6.395) 17.694 8.060 ( 13.194 14.281 5.598) 20.233 8.398 ( -7.990 9.863 6.968) 14.480 8.811 ( 11.664 -5.470 6.371) 14.372 8.890 ( 4.642 -6.300 6.315) 10.056 9.072 ( -12.067 3.185 -12.208) 17.459 9.189 ( -11.596 -8.784 6.103) 15.776 9.386 ( 9.621 -1.709 4.985) 10.970 9.612 ( -10.727 -2.276 9.143) 14.277 10.137 ( 9.653 -7.833 -2.067) 12.602 10.296 ( -4.903 -10.991 -9.697) 15.455 10.862 ( 5.754 -0.265 2.046) 6.112 11.011 ( -6.665 -2.269 2.599) 7.505 11.108 ( 3.079 1.963 -1.237) 3.855 11.180 ( -3.963 -0.529 6.329) 7.486 11.817 ( 4.591 9.492 -6.692) 12.488 11.981 ( -8.398 9.229 -7.619) 14.620 12.396 ( 2.138 -10.720 -12.514) 16.616 12.472 ( -4.023 -8.751 -12.359) 15.669 13.218 ( 3.096 7.391 -1.077) 8.085 13.269 ( -1.827 8.075 -0.103) 8.279 13.486 ( 10.969 2.225 -7.123) 13.267 13.583 ( 4.371 -4.865 -11.382) 13.127 13.754 ( -7.918 5.920 -8.444) 13.001 13.867 ( -11.620 -2.580 -6.548) 13.585 14.192 ( 2.076 13.041 -1.803) 13.328 14.276 ( -4.054 15.261 -2.958) 16.065 14.857 ( 10.743 -10.531 10.487) 18.338 15.043 ( -6.611 -12.656 9.833) 17.337 15.468 ( 11.046 26.212 -7.475) 29.410 15.646 ( -1.362 7.543 0.721) 7.698 15.861 ( 3.833 -6.796 1.370) 7.921 15.958 ( -5.608 -0.971 -6.302) 8.491 17.211 ( 18.030 -8.515 4.665) 20.478 17.365 ( 12.423 -2.294 10.832) 16.642 17.688 ( -3.445 -2.618 4.899) 6.537 17.889 ( -11.388 9.012 10.199) 17.747 18.079 ( 1.319 -6.704 8.394) 10.823 18.197 ( -5.438 -14.480 8.217) 17.515 18.494 ( 4.767 -13.567 5.079) 15.251 18.607 ( -4.931 -6.562 1.968) 8.441 18.995 ( 0.830 -14.517 15.614) 21.336 19.011 ( 0.407 -14.670 17.375) 22.743 21.041 ( 1.199 13.933 -15.591) 20.944 21.118 ( -5.626 10.951 -16.649) 20.707 21.225 ( 2.154 5.793 -9.005) 10.922 21.318 ( -5.927 3.421 -9.666) 11.843 ======================= Grid point 216 (76/120) ======================= q-point: ( 0.00 0.43 0.30) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.396 ( 0.000 11.265 9.939) 15.023 2.601 ( 0.000 -8.276 2.035) 8.522 2.789 ( 0.000 16.364 12.257) 20.445 3.079 ( 0.000 -12.699 6.646) 14.333 3.298 ( 0.000 2.157 -4.110) 4.641 3.383 ( 0.000 -6.167 -2.006) 6.485 3.749 ( 0.000 6.113 -2.048) 6.447 3.809 ( 0.000 5.155 -10.519) 11.714 3.956 ( 0.000 -3.046 -5.779) 6.532 4.040 ( 0.000 -7.214 -14.772) 16.439 4.188 ( 0.000 7.078 -3.612) 7.946 4.346 ( 0.000 -8.675 -5.536) 10.290 7.242 ( 0.000 10.153 1.651) 10.286 7.373 ( 0.000 -3.868 1.510) 4.152 7.793 ( 0.000 4.994 3.364) 6.022 7.864 ( 0.000 -1.389 -0.773) 1.590 8.218 ( 0.000 0.668 25.724) 25.732 8.312 ( 0.000 -8.793 31.716) 32.913 8.714 ( 0.000 17.708 9.754) 20.217 9.055 ( 0.000 -16.260 2.495) 16.451 9.600 ( 0.000 12.160 4.078) 12.826 9.855 ( 0.000 -14.038 -0.240) 14.040 10.116 ( 0.000 1.026 -7.285) 7.357 10.117 ( 0.000 0.329 -7.347) 7.354 11.098 ( 0.000 6.965 -4.889) 8.510 11.209 ( 0.000 -3.393 -13.490) 13.910 11.648 ( 0.000 3.446 10.538) 11.088 11.675 ( 0.000 -0.707 11.017) 11.039 11.990 ( 0.000 15.728 -21.663) 26.771 12.358 ( 0.000 -18.811 -19.808) 27.317 12.889 ( 0.000 2.285 5.040) 5.533 12.900 ( 0.000 0.745 2.008) 2.142 13.090 ( 0.000 -0.173 -7.709) 7.711 13.163 ( 0.000 -7.149 -5.813) 9.214 13.215 ( 0.000 -0.005 5.052) 5.052 13.277 ( 0.000 -5.816 2.870) 6.486 13.623 ( 0.000 12.628 9.171) 15.606 13.797 ( 0.000 -4.375 8.685) 9.725 14.315 ( 0.000 5.890 -8.095) 10.012 14.363 ( 0.000 2.552 3.037) 3.967 14.647 ( 0.000 7.363 -2.416) 7.749 14.902 ( 0.000 -15.721 12.531) 20.104 15.260 ( 0.000 4.080 -8.742) 9.647 15.318 ( 0.000 -1.651 -3.681) 4.035 15.853 ( 0.000 11.060 7.799) 13.533 16.016 ( 0.000 -3.584 1.640) 3.942 16.468 ( 0.000 30.758 13.541) 33.607 17.149 ( 0.000 -36.511 9.492) 37.725 17.439 ( 0.000 7.205 -17.110) 18.565 17.511 ( 0.000 -1.215 4.127) 4.302 17.819 ( 0.000 6.540 -10.647) 12.496 17.980 ( 0.000 -9.648 -1.962) 9.845 18.254 ( 0.000 0.571 -8.666) 8.685 18.386 ( 0.000 -12.310 -10.249) 16.018 18.738 ( 0.000 1.842 1.595) 2.437 18.824 ( 0.000 -6.534 -1.580) 6.723 21.580 ( 0.000 8.539 3.446) 9.208 21.650 ( 0.000 11.639 3.904) 12.276 21.693 ( 0.000 -3.121 2.017) 3.716 21.839 ( 0.000 -7.310 -2.127) 7.613 ======================= Grid point 217 (77/120) ======================= q-point: ( 0.11 0.43 0.30) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( 5.501 9.655 9.036) 14.322 2.625 ( 1.770 -4.814 2.847) 5.866 2.787 ( 0.530 12.790 9.851) 16.153 3.044 ( -2.970 -10.966 5.686) 12.704 3.238 ( -5.137 1.804 -3.922) 6.710 3.343 ( -4.230 -8.306 -2.671) 9.696 3.726 ( -1.923 6.286 -1.521) 6.747 3.839 ( 0.102 -1.905 -4.883) 5.242 3.929 ( -0.476 3.418 -10.260) 10.825 4.050 ( 0.748 -5.892 -14.102) 15.302 4.196 ( 0.605 5.821 -3.004) 6.578 4.332 ( -1.341 -7.614 -4.807) 9.104 7.330 ( 8.030 10.351 4.195) 13.756 7.440 ( 6.448 -0.473 3.492) 7.348 7.841 ( 4.125 3.640 6.281) 8.350 7.937 ( 5.774 -4.273 3.793) 8.123 8.269 ( 1.632 2.601 22.679) 22.886 8.348 ( 9.704 -4.442 18.235) 21.129 8.864 ( 11.546 11.629 10.671) 19.555 9.147 ( 8.401 -15.140 3.383) 17.642 9.556 ( -4.123 11.320 5.070) 13.071 9.770 ( -6.508 -9.480 2.656) 11.801 10.127 ( 2.937 4.204 -7.235) 8.868 10.253 ( 8.339 -7.698 -5.695) 12.697 11.086 ( -1.793 5.327 -5.626) 7.953 11.093 ( -10.577 6.601 -10.718) 16.442 11.451 ( -14.765 0.380 1.591) 14.856 11.566 ( -7.494 -7.055 4.299) 11.154 12.094 ( 4.639 10.634 -14.454) 18.534 12.320 ( -3.950 -11.584 -18.958) 22.566 12.723 ( -13.685 3.801 1.909) 14.331 12.817 ( -15.774 -5.337 2.164) 16.792 12.975 ( 3.287 5.230 0.560) 6.202 13.092 ( 4.811 -5.294 0.161) 7.155 13.350 ( 6.414 -0.066 0.752) 6.459 13.408 ( 6.465 -3.547 3.787) 8.289 13.799 ( 10.435 9.179 5.032) 14.781 13.939 ( 10.568 -3.284 3.860) 11.720 14.257 ( -1.957 7.593 -6.942) 10.472 14.389 ( -1.648 -6.074 -9.142) 11.099 14.687 ( 5.892 12.464 8.345) 16.115 14.957 ( 4.150 -13.205 9.252) 16.649 15.206 ( -4.817 3.048 -11.904) 13.199 15.279 ( -3.069 -4.571 -5.830) 8.019 15.802 ( -3.638 15.257 9.773) 18.480 16.022 ( 1.772 -6.512 7.975) 10.447 16.560 ( 8.554 28.171 15.047) 33.063 17.196 ( 3.759 -30.815 8.338) 32.143 17.343 ( -7.447 10.219 -17.941) 21.949 17.581 ( 4.095 -7.735 -4.818) 9.991 17.853 ( 1.622 3.523 -1.872) 4.307 18.015 ( 6.975 -10.543 3.352) 13.078 18.335 ( 6.525 2.763 -7.971) 10.665 18.462 ( 5.209 -9.364 -7.200) 12.910 18.750 ( 1.124 -1.681 0.472) 2.076 18.783 ( -3.747 -4.773 -0.476) 6.086 21.538 ( -3.902 8.697 1.853) 9.711 21.585 ( -5.552 9.388 2.672) 11.229 21.664 ( -2.954 -1.829 0.626) 3.530 21.764 ( -6.799 -5.943 -3.118) 9.553 ======================= Grid point 218 (78/120) ======================= q-point: ( 0.22 0.43 0.30) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.592 ( 5.474 6.739 4.130) 9.615 2.648 ( 1.390 3.183 8.053) 8.770 2.852 ( 5.612 2.885 3.089) 7.026 2.979 ( -2.807 -5.484 1.815) 6.423 3.113 ( -5.939 -0.284 -2.429) 6.423 3.215 ( -7.158 -9.361 -1.599) 11.892 3.662 ( -4.233 3.735 -0.776) 5.699 3.753 ( -6.329 -4.990 -3.457) 8.770 3.979 ( 2.747 5.119 -9.918) 11.494 4.056 ( -0.573 -2.462 -11.865) 12.131 4.204 ( 0.010 2.856 -1.408) 3.184 4.292 ( -2.357 -5.833 -2.602) 6.807 7.554 ( 13.084 11.911 11.520) 21.114 7.645 ( 13.068 6.354 3.531) 14.953 7.958 ( 7.250 -0.997 9.153) 11.719 8.047 ( 5.318 -9.699 14.008) 17.849 8.416 ( 11.873 12.997 8.269) 19.449 8.632 ( 15.245 -8.673 9.124) 19.771 9.091 ( 7.588 10.781 2.905) 13.500 9.371 ( 10.902 -14.711 0.851) 18.330 9.448 ( -3.910 6.911 11.485) 13.963 9.599 ( -10.269 -7.468 6.625) 14.322 10.198 ( 2.684 6.891 -5.246) 9.067 10.389 ( 1.228 -11.130 -4.750) 12.163 10.797 ( -11.951 15.920 -7.609) 21.312 11.070 ( -2.155 -6.108 -4.941) 8.146 11.140 ( -12.031 4.578 -0.177) 12.874 11.388 ( -9.208 -13.225 0.475) 16.122 12.134 ( -0.205 5.844 -13.867) 15.050 12.197 ( -7.168 -0.696 -17.864) 19.261 12.472 ( -9.166 0.732 -5.260) 10.594 12.529 ( -9.239 -4.768 -3.176) 10.871 13.125 ( 8.653 7.497 2.989) 11.833 13.217 ( 5.376 0.213 4.565) 7.056 13.451 ( 2.295 -0.088 0.614) 2.377 13.518 ( 4.191 -7.561 3.516) 9.332 13.892 ( -0.764 12.123 1.631) 12.256 14.133 ( 6.308 -7.680 -1.087) 9.998 14.255 ( -2.078 6.153 -7.678) 10.056 14.353 ( 2.371 -2.794 -7.940) 8.745 14.818 ( 2.703 13.361 -0.683) 13.649 15.053 ( 3.349 0.191 3.189) 4.628 15.111 ( 0.785 -5.453 -4.003) 6.810 15.256 ( 2.126 -15.204 -2.405) 15.540 15.775 ( 1.998 23.075 8.955) 24.832 16.112 ( 6.675 -11.261 10.157) 16.568 16.801 ( 13.423 22.942 16.091) 31.071 17.131 ( -8.979 20.107 -14.436) 26.331 17.348 ( 7.856 -31.611 10.032) 34.083 17.557 ( -5.124 -22.129 -13.914) 26.637 17.989 ( 10.673 11.801 12.059) 19.965 18.214 ( 9.264 -9.711 3.779) 13.943 18.467 ( 5.140 2.328 -3.929) 6.876 18.540 ( 1.408 -5.969 2.412) 6.590 18.676 ( -5.629 -1.046 2.944) 6.438 18.778 ( 0.801 -8.871 -0.533) 8.923 21.427 ( -6.389 8.878 -2.524) 11.225 21.451 ( -6.509 7.098 -1.214) 9.707 21.573 ( -5.573 -1.811 -3.349) 6.749 21.586 ( -9.157 -2.609 -6.094) 11.305 ======================= Grid point 219 (79/120) ======================= q-point: ( 0.33 0.43 0.30) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( 1.142 7.682 1.255) 7.867 2.723 ( 3.031 -2.930 7.189) 8.334 2.896 ( -4.964 1.951 -2.341) 5.824 2.941 ( -2.515 -2.007 -5.097) 6.028 3.073 ( 4.870 -0.889 0.033) 4.951 3.132 ( 2.230 -6.559 3.090) 7.586 3.556 ( -5.799 1.287 -1.098) 6.040 3.612 ( -6.910 -3.934 -4.417) 9.096 4.003 ( -0.269 4.042 -5.021) 6.451 4.028 ( -1.526 1.386 -7.867) 8.132 4.189 ( -1.568 -1.736 0.229) 2.351 4.237 ( -2.900 -6.198 0.277) 6.848 7.866 ( 16.281 14.576 13.948) 25.924 7.957 ( 16.035 13.061 5.163) 21.316 8.149 ( 10.558 -2.465 9.480) 14.403 8.214 ( 11.436 -12.813 15.065) 22.845 8.661 ( 9.325 14.324 6.477) 18.278 8.901 ( 8.112 -7.654 4.328) 11.964 9.065 ( -8.184 8.743 3.213) 12.399 9.312 ( -14.512 -10.707 5.059) 18.731 9.433 ( 2.373 5.614 3.394) 6.976 9.635 ( 10.574 -14.973 -1.115) 18.364 10.071 ( -17.610 10.095 -12.733) 23.962 10.249 ( -8.815 -5.307 -6.958) 12.421 10.780 ( 6.091 4.660 1.269) 7.774 10.930 ( -0.485 -7.656 7.687) 10.860 11.122 ( 1.946 2.551 -2.344) 3.973 11.214 ( -6.681 -6.246 3.567) 9.817 12.032 ( -5.486 8.091 -14.453) 17.449 12.146 ( 0.073 -1.844 -15.434) 15.544 12.328 ( -5.857 1.128 -10.045) 11.682 12.414 ( -3.813 -6.103 -9.889) 12.230 13.243 ( 2.503 5.848 -2.082) 6.693 13.331 ( 5.493 -0.473 -0.155) 5.515 13.436 ( -1.407 4.804 -0.280) 5.014 13.581 ( 0.709 -5.010 0.912) 5.142 13.883 ( 0.512 8.779 0.817) 8.832 14.139 ( -2.673 -6.989 -1.509) 7.633 14.195 ( -4.298 5.869 -4.288) 8.444 14.397 ( -0.646 -7.344 -0.632) 7.399 14.844 ( 3.126 20.729 -4.618) 21.466 15.060 ( 0.937 9.467 -0.874) 9.553 15.289 ( 9.021 -18.198 3.211) 20.564 15.351 ( 6.126 -18.290 1.392) 19.338 15.892 ( 9.131 28.681 1.447) 30.134 16.280 ( 8.329 -6.015 1.255) 10.350 16.904 ( -7.058 10.820 -8.608) 15.524 17.091 ( 4.942 1.555 6.106) 8.008 17.477 ( 3.896 -14.547 3.150) 15.386 17.576 ( 11.945 -19.325 12.570) 25.965 18.204 ( 7.586 12.414 10.286) 17.817 18.320 ( 0.560 2.811 5.724) 6.402 18.444 ( -9.825 -1.070 7.916) 12.663 18.538 ( 1.471 -2.198 3.412) 4.317 18.643 ( 2.352 -10.589 9.777) 14.603 18.761 ( -2.393 -11.779 4.657) 12.890 21.304 ( -4.628 7.752 -8.460) 12.373 21.335 ( -4.136 4.875 -6.989) 9.471 21.405 ( -7.454 2.011 -10.730) 13.219 21.454 ( -5.775 -2.003 -7.776) 9.891 ======================= Grid point 220 (80/120) ======================= q-point: ( 0.44 0.43 0.30) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.677 ( 3.475 5.421 -0.806) 6.489 2.763 ( -1.192 -0.637 2.852) 3.156 2.787 ( -2.053 -1.652 -2.103) 3.372 2.844 ( -4.400 -4.275 -0.550) 6.159 3.223 ( 7.577 2.202 -0.248) 7.894 3.260 ( 6.801 0.198 -3.374) 7.595 3.425 ( -5.893 -2.274 -1.522) 6.497 3.466 ( -7.068 -4.854 -4.614) 9.737 3.995 ( 0.336 6.253 -1.630) 6.471 4.011 ( -0.617 5.778 -1.508) 6.003 4.154 ( -0.882 -7.642 1.263) 7.796 4.176 ( -2.599 -8.551 1.737) 9.104 8.183 ( 12.881 17.499 11.954) 24.800 8.303 ( 12.777 10.364 11.832) 20.265 8.325 ( 6.470 9.111 10.903) 15.612 8.472 ( 7.255 -9.216 15.790) 19.669 8.757 ( 2.160 8.109 5.917) 10.268 8.851 ( -4.259 1.822 2.548) 5.287 8.974 ( -5.707 -11.496 3.600) 13.330 8.994 ( -12.920 -10.167 3.579) 16.826 9.510 ( 5.421 12.773 -8.272) 16.155 9.696 ( -12.593 12.468 -9.699) 20.201 9.843 ( 7.311 -18.699 -7.374) 21.389 10.027 ( -10.380 -17.144 -12.246) 23.487 10.933 ( 7.402 6.524 8.533) 13.045 11.015 ( 3.258 0.849 5.739) 6.654 11.101 ( -2.022 -1.372 5.157) 5.707 11.145 ( -1.849 -3.391 3.044) 4.918 12.011 ( 4.036 9.919 -11.100) 15.424 12.149 ( -4.545 5.941 -11.685) 13.874 12.209 ( -0.111 -7.060 -11.744) 13.703 12.312 ( -6.116 -7.722 -12.353) 15.799 13.323 ( 5.201 4.200 -6.415) 9.265 13.379 ( 1.022 1.163 -6.925) 7.096 13.453 ( 0.966 -0.020 -6.790) 6.859 13.535 ( -4.847 -4.761 -8.687) 11.029 13.897 ( 2.753 13.876 3.242) 14.513 14.027 ( -8.274 14.565 1.343) 16.805 14.197 ( 5.642 -13.135 6.390) 15.658 14.326 ( -5.521 -12.482 5.428) 14.688 14.954 ( 6.031 20.833 -1.166) 21.720 15.051 ( -2.599 16.563 0.228) 16.767 15.426 ( 4.203 -23.452 -0.557) 23.832 15.452 ( 2.068 -20.240 2.141) 20.458 16.136 ( 13.030 32.374 -6.078) 35.423 16.352 ( -4.596 25.908 -9.552) 27.993 16.837 ( 3.877 -25.684 -3.073) 26.156 17.008 ( -9.318 -27.811 -5.645) 29.869 17.754 ( 18.507 5.658 18.073) 26.479 17.866 ( 14.808 -6.108 15.084) 22.003 18.121 ( -13.660 8.155 14.023) 21.207 18.168 ( -14.010 2.134 11.686) 18.368 18.423 ( 6.428 6.636 9.153) 13.005 18.529 ( -3.012 -0.010 4.160) 5.137 18.691 ( 1.444 -15.375 12.433) 19.825 18.712 ( -1.378 -14.270 12.333) 18.911 21.249 ( -0.515 6.857 -13.238) 14.917 21.281 ( -3.051 5.687 -13.288) 14.772 21.300 ( -0.298 1.329 -11.543) 11.623 21.348 ( -4.083 -0.778 -11.145) 11.895 ======================= Grid point 252 (81/120) ======================= q-point: ( 0.00 0.00 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.506 ( 0.000 0.000 25.130) 25.130 2.686 ( 0.000 0.000 20.577) 20.577 2.767 ( 0.000 0.000 -0.528) 0.528 3.002 ( 0.000 0.000 -8.899) 8.899 3.144 ( 0.000 0.000 -3.013) 3.013 3.383 ( 0.000 0.000 -16.754) 16.754 3.811 ( 0.000 0.000 2.031) 2.031 3.855 ( 0.000 0.000 0.717) 0.717 3.892 ( 0.000 0.000 -4.030) 4.030 3.969 ( 0.000 0.000 -10.372) 10.372 4.249 ( 0.000 0.000 12.390) 12.390 4.600 ( 0.000 0.000 -6.111) 6.111 6.844 ( 0.000 0.000 18.003) 18.003 7.576 ( 0.000 0.000 -15.609) 15.609 7.578 ( 0.000 0.000 4.877) 4.877 7.687 ( 0.000 0.000 -3.556) 3.556 8.656 ( 0.000 0.000 25.836) 25.836 8.705 ( 0.000 0.000 16.330) 16.330 9.171 ( 0.000 0.000 0.857) 0.857 9.291 ( 0.000 0.000 -13.671) 13.671 9.469 ( 0.000 0.000 35.714) 35.714 9.706 ( 0.000 0.000 -0.209) 0.209 9.844 ( 0.000 0.000 -10.226) 10.226 10.358 ( 0.000 0.000 -10.056) 10.056 10.598 ( 0.000 0.000 -21.072) 21.072 10.704 ( 0.000 0.000 -28.489) 28.489 11.340 ( 0.000 0.000 19.438) 19.438 11.858 ( 0.000 0.000 3.718) 3.718 11.952 ( 0.000 0.000 -1.102) 1.102 12.282 ( 0.000 0.000 -24.598) 24.598 12.930 ( 0.000 0.000 9.619) 9.619 12.991 ( 0.000 0.000 10.673) 10.673 13.176 ( 0.000 0.000 -2.640) 2.640 13.249 ( 0.000 0.000 -1.322) 1.322 13.365 ( 0.000 0.000 -2.170) 2.170 13.504 ( 0.000 0.000 10.266) 10.266 13.605 ( 0.000 0.000 -10.088) 10.088 13.889 ( 0.000 0.000 -8.064) 8.064 14.143 ( 0.000 0.000 7.894) 7.894 14.162 ( 0.000 0.000 22.458) 22.458 14.485 ( 0.000 0.000 -1.862) 1.862 14.927 ( 0.000 0.000 -7.219) 7.219 15.007 ( 0.000 0.000 -9.618) 9.618 15.328 ( 0.000 0.000 11.291) 11.291 15.364 ( 0.000 0.000 -17.067) 17.067 15.949 ( 0.000 0.000 28.920) 28.920 16.327 ( 0.000 0.000 -28.128) 28.128 16.578 ( 0.000 0.000 31.328) 31.328 17.147 ( 0.000 0.000 -26.349) 26.349 17.767 ( 0.000 0.000 -26.902) 26.902 18.055 ( 0.000 0.000 21.224) 21.224 18.644 ( 0.000 0.000 6.085) 6.085 18.858 ( 0.000 0.000 -14.321) 14.321 18.861 ( 0.000 0.000 -0.804) 0.804 19.027 ( 0.000 0.000 5.043) 5.043 19.221 ( 0.000 0.000 -4.684) 4.684 21.160 ( 0.000 0.000 11.270) 11.270 21.398 ( 0.000 0.000 12.553) 12.553 21.627 ( 0.000 0.000 -11.722) 11.722 21.671 ( 0.000 0.000 -2.204) 2.204 ======================= Grid point 253 (82/120) ======================= q-point: ( 0.11 0.00 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( -5.923 0.000 19.480) 20.360 2.739 ( -1.363 0.000 -4.611) 4.809 2.754 ( 6.159 0.000 18.911) 19.889 3.145 ( 7.991 0.000 -3.976) 8.926 3.177 ( 3.054 0.000 -2.489) 3.940 3.441 ( 4.532 0.000 -14.476) 15.169 3.756 ( -5.768 0.000 1.501) 5.960 3.773 ( -4.133 0.000 1.330) 4.341 3.841 ( -4.678 0.000 -4.070) 6.200 3.914 ( -5.085 0.000 -10.177) 11.377 4.307 ( 5.069 0.000 11.293) 12.378 4.596 ( -0.054 0.000 -4.532) 4.533 6.900 ( 5.009 0.000 17.745) 18.439 7.552 ( -1.576 0.000 12.286) 12.387 7.631 ( 4.397 0.000 -15.990) 16.584 7.774 ( 7.842 0.000 -2.949) 8.378 8.668 ( 0.754 0.000 12.381) 12.404 8.799 ( 8.410 0.000 17.141) 19.093 9.122 ( -4.640 0.000 -2.157) 5.117 9.336 ( 4.321 0.000 -10.466) 11.323 9.522 ( 5.324 0.000 32.880) 33.308 9.677 ( -0.497 0.000 2.520) 2.569 10.006 ( 11.324 0.000 -14.114) 18.095 10.281 ( -2.853 0.000 -1.682) 3.312 10.579 ( -1.653 0.000 -18.602) 18.676 10.893 ( 13.927 0.000 -25.155) 28.753 11.247 ( -8.187 0.000 13.671) 15.935 11.871 ( 0.553 0.000 3.185) 3.233 11.913 ( -3.357 0.000 -0.159) 3.360 12.053 ( -20.246 0.000 -24.562) 31.830 12.833 ( -11.633 0.000 10.846) 15.905 12.927 ( 0.194 0.000 11.011) 11.013 13.123 ( -11.586 0.000 0.581) 11.600 13.175 ( -1.022 0.000 4.821) 4.928 13.320 ( -1.771 0.000 -5.313) 5.600 13.484 ( -0.882 0.000 8.757) 8.801 13.614 ( 0.491 0.000 -14.690) 14.698 13.871 ( -3.395 0.000 -9.015) 9.633 14.214 ( 2.740 0.000 -1.498) 3.122 14.342 ( 13.876 0.000 20.723) 24.939 14.493 ( 0.827 0.000 -3.071) 3.180 14.925 ( -3.282 0.000 7.106) 7.827 14.988 ( -0.623 0.000 -1.766) 1.872 15.304 ( 3.348 0.000 -1.265) 3.579 15.458 ( 10.945 0.000 -15.443) 18.929 16.078 ( -5.658 0.000 -14.708) 15.759 16.238 ( 9.826 0.000 16.972) 19.611 16.638 ( 5.438 0.000 31.596) 32.061 17.344 ( 15.113 0.000 -26.007) 30.079 17.817 ( 4.676 0.000 -24.643) 25.082 18.020 ( -2.487 0.000 19.709) 19.865 18.705 ( -1.387 0.000 -9.402) 9.504 18.890 ( 9.817 0.000 1.611) 9.948 18.978 ( 9.157 0.000 -0.888) 9.200 19.048 ( 1.945 0.000 4.912) 5.283 19.234 ( 1.208 0.000 -4.399) 4.562 21.050 ( -10.363 0.000 9.818) 14.275 21.341 ( -5.293 0.000 11.796) 12.929 21.488 ( -12.837 0.000 -11.418) 17.180 21.615 ( -5.265 0.000 -2.869) 5.996 ======================= Grid point 254 (83/120) ======================= q-point: ( 0.22 0.00 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( -4.312 0.000 12.934) 13.634 2.715 ( -1.424 0.000 -9.761) 9.864 2.922 ( 9.297 0.000 14.924) 17.583 3.174 ( -4.628 0.000 1.028) 4.741 3.261 ( 4.715 0.000 -0.992) 4.818 3.439 ( -7.214 0.000 -9.683) 12.075 3.670 ( 0.175 0.000 -0.235) 0.293 3.713 ( -7.089 0.000 -4.271) 8.277 3.768 ( -8.493 0.000 -9.574) 12.798 3.773 ( 2.111 0.000 -2.075) 2.960 4.458 ( 9.651 0.000 9.866) 13.801 4.625 ( 3.412 0.000 -0.701) 3.483 7.032 ( 7.208 0.000 16.063) 17.606 7.549 ( 1.908 0.000 20.367) 20.456 7.708 ( 1.740 0.000 -15.632) 15.729 7.986 ( 11.657 0.000 -2.256) 11.873 8.682 ( 0.627 0.000 -5.249) 5.286 8.975 ( -9.753 0.000 -11.123) 14.794 9.017 ( 11.547 0.000 20.096) 23.177 9.467 ( 7.900 0.000 -2.681) 8.343 9.676 ( 0.517 0.000 8.579) 8.594 9.702 ( 11.723 0.000 24.626) 27.274 10.188 ( 4.257 0.000 0.035) 4.257 10.373 ( 12.333 0.000 -0.820) 12.360 10.543 ( -1.389 0.000 -13.510) 13.582 11.043 ( -10.507 0.000 1.541) 10.620 11.188 ( 12.917 0.000 -23.304) 26.644 11.533 ( -27.313 0.000 -22.108) 35.139 11.801 ( -5.980 0.000 3.127) 6.748 11.863 ( -3.348 0.000 3.596) 4.913 12.625 ( -6.578 0.000 6.372) 9.158 12.866 ( -11.011 0.000 0.602) 11.027 12.946 ( 1.255 0.000 12.429) 12.492 13.119 ( -3.233 0.000 5.359) 6.258 13.340 ( 2.396 0.000 -4.037) 4.695 13.428 ( -5.258 0.000 8.014) 9.585 13.634 ( 2.253 0.000 -18.394) 18.531 13.774 ( -4.470 0.000 -9.593) 10.583 14.175 ( -5.020 0.000 -10.040) 11.225 14.365 ( -13.473 0.000 -15.463) 20.509 14.512 ( -3.080 0.000 16.373) 16.660 14.898 ( 5.598 0.000 12.281) 13.497 15.180 ( 18.779 0.000 16.508) 25.004 15.451 ( 6.200 0.000 -7.719) 9.900 15.799 ( 19.861 0.000 -13.968) 24.280 15.848 ( -7.068 0.000 -19.583) 20.819 16.652 ( 23.184 0.000 28.317) 36.597 16.781 ( 7.320 0.000 31.726) 32.560 17.661 ( 13.577 0.000 -21.872) 25.744 17.942 ( 6.294 0.000 -15.314) 16.557 17.989 ( -0.145 0.000 9.560) 9.561 18.589 ( -5.790 0.000 -10.800) 12.254 19.106 ( 3.638 0.000 4.541) 5.818 19.180 ( 8.915 0.000 3.462) 9.564 19.218 ( 17.650 0.000 5.185) 18.396 19.270 ( 2.151 0.000 -3.501) 4.109 20.746 ( -18.076 0.000 5.280) 18.832 21.130 ( -20.338 0.000 -12.146) 23.689 21.193 ( -8.394 0.000 9.192) 12.448 21.460 ( -9.268 0.000 -4.656) 10.372 ======================= Grid point 255 (84/120) ======================= q-point: ( 0.33 0.00 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( -0.123 0.000 6.241) 6.242 2.647 ( -5.865 0.000 -12.993) 14.255 3.060 ( -3.979 0.000 1.845) 4.386 3.111 ( 8.107 0.000 10.269) 13.083 3.261 ( -8.148 0.000 -5.599) 9.887 3.354 ( 3.526 0.000 1.639) 3.888 3.560 ( -7.390 0.000 -6.011) 9.526 3.598 ( -6.352 0.000 -7.609) 9.912 3.672 ( -0.338 0.000 -0.227) 0.407 3.776 ( -2.105 0.000 -2.949) 3.623 4.685 ( 10.464 0.000 7.372) 12.800 4.732 ( 6.013 0.000 3.100) 6.765 7.192 ( 8.066 0.000 11.659) 14.177 7.650 ( 8.073 0.000 18.308) 20.009 7.680 ( -4.317 0.000 -11.578) 12.357 8.226 ( 10.347 0.000 -0.060) 10.347 8.663 ( -7.191 0.000 -17.866) 19.259 8.728 ( -9.067 0.000 -13.971) 16.656 9.264 ( 12.233 0.000 21.629) 24.849 9.632 ( 6.796 0.000 6.569) 9.452 9.744 ( 6.712 0.000 19.813) 20.919 9.959 ( 10.803 0.000 13.953) 17.646 10.226 ( -0.720 0.000 17.390) 17.405 10.531 ( -0.417 0.000 -12.167) 12.175 10.674 ( 14.943 0.000 -8.859) 17.372 10.803 ( -13.750 0.000 -6.797) 15.338 11.035 ( -16.101 0.000 -16.881) 23.328 11.361 ( 1.544 0.000 -20.745) 20.802 11.682 ( -4.058 0.000 6.372) 7.554 11.760 ( -4.804 0.000 4.091) 6.310 12.554 ( -1.466 0.000 -0.943) 1.743 12.705 ( -4.879 0.000 -4.282) 6.491 12.959 ( -0.088 0.000 7.353) 7.353 13.066 ( -2.206 0.000 2.855) 3.608 13.305 ( -3.921 0.000 5.693) 6.913 13.401 ( 4.289 0.000 -0.392) 4.307 13.702 ( -3.540 0.000 -12.365) 12.861 13.718 ( 4.431 0.000 -12.719) 13.469 14.017 ( -10.638 0.000 -8.921) 13.884 14.097 ( -8.509 0.000 -12.396) 15.036 14.358 ( -6.704 0.000 9.560) 11.676 14.918 ( -8.402 0.000 -9.071) 12.364 15.567 ( 9.003 0.000 4.785) 10.196 15.631 ( 22.365 0.000 17.848) 28.614 15.860 ( 4.057 0.000 -4.896) 6.358 16.205 ( 16.328 0.000 -9.738) 19.011 16.910 ( 5.648 0.000 26.378) 26.976 17.142 ( 22.949 0.000 22.759) 32.321 17.861 ( 4.758 0.000 -12.567) 13.437 17.890 ( -11.974 0.000 -17.291) 21.032 18.119 ( 12.611 0.000 12.737) 17.924 18.611 ( 8.650 0.000 -7.191) 11.249 19.194 ( 4.586 0.000 3.997) 6.084 19.284 ( 0.777 0.000 12.541) 12.565 19.316 ( 1.932 0.000 -1.653) 2.542 19.558 ( 12.941 0.000 8.046) 15.238 20.339 ( -19.048 0.000 -5.058) 19.708 20.695 ( -19.933 0.000 -16.125) 25.638 21.024 ( -6.736 0.000 3.985) 7.827 21.246 ( -10.662 0.000 -6.707) 12.597 ======================= Grid point 256 (85/120) ======================= q-point: ( 0.44 0.00 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( 5.573 0.000 -1.678) 5.821 2.479 ( -9.062 0.000 -9.026) 12.790 3.042 ( 1.851 0.000 -1.766) 2.558 3.119 ( -5.348 0.000 -4.244) 6.827 3.246 ( 5.126 0.000 5.347) 7.407 3.348 ( -4.526 0.000 3.131) 5.503 3.480 ( 0.681 0.000 -5.869) 5.909 3.514 ( -2.306 0.000 -5.229) 5.716 3.674 ( 0.968 0.000 0.395) 1.046 3.716 ( -2.874 0.000 -0.994) 3.041 4.835 ( 3.496 0.000 5.934) 6.887 4.840 ( 3.313 0.000 5.857) 6.729 7.368 ( 8.680 0.000 4.526) 9.789 7.545 ( -7.992 0.000 -3.992) 8.934 7.892 ( 14.917 0.000 8.805) 17.322 8.233 ( -14.883 0.000 2.930) 15.168 8.520 ( 4.851 0.000 -17.593) 18.250 8.642 ( -4.720 0.000 -12.931) 13.765 9.527 ( 12.242 0.000 20.510) 23.886 9.697 ( -2.154 0.000 16.795) 16.932 9.939 ( 10.775 0.000 23.121) 25.509 10.117 ( 6.247 0.000 -1.160) 6.354 10.141 ( -7.502 0.000 21.514) 22.785 10.332 ( -14.998 0.000 -12.324) 19.412 10.720 ( 5.611 0.000 -7.411) 9.296 10.848 ( -5.923 0.000 -11.456) 12.897 10.975 ( 13.786 0.000 -7.653) 15.768 11.239 ( -10.864 0.000 -9.741) 14.591 11.660 ( 1.006 0.000 2.535) 2.728 11.695 ( -2.037 0.000 -0.878) 2.218 12.550 ( 1.368 0.000 -3.951) 4.182 12.613 ( -4.233 0.000 -5.790) 7.172 12.965 ( 1.146 0.000 1.601) 1.969 13.010 ( -2.895 0.000 0.187) 2.901 13.341 ( 7.210 0.000 -3.746) 8.125 13.540 ( 8.606 0.000 4.969) 9.938 13.549 ( -10.852 0.000 -13.397) 17.241 13.712 ( -5.995 0.000 2.175) 6.377 13.895 ( 0.217 0.000 -4.663) 4.668 13.963 ( -5.191 0.000 -8.367) 9.847 14.370 ( 8.699 0.000 -7.693) 11.613 14.642 ( -15.166 0.000 -15.035) 21.355 15.778 ( 8.954 0.000 8.206) 12.146 15.894 ( -1.760 0.000 3.160) 3.617 16.063 ( 18.064 0.000 16.689) 24.593 16.331 ( -5.511 0.000 8.711) 10.308 17.131 ( 16.932 0.000 3.196) 17.231 17.537 ( -19.878 0.000 -10.823) 22.634 17.574 ( 17.483 0.000 13.192) 21.901 17.837 ( -7.169 0.000 0.408) 7.181 18.466 ( 18.568 0.000 11.476) 21.828 18.747 ( -3.194 0.000 -0.257) 3.204 19.285 ( 3.687 0.000 3.247) 4.913 19.311 ( 7.772 0.000 18.343) 19.922 19.333 ( -0.667 0.000 1.240) 1.408 19.595 ( -12.208 0.000 18.433) 22.109 20.136 ( 3.567 0.000 -22.599) 22.878 20.341 ( -13.683 0.000 -20.699) 24.813 20.952 ( 0.441 0.000 -2.900) 2.934 21.044 ( -7.862 0.000 -6.971) 10.507 ======================= Grid point 261 (86/120) ======================= q-point: ( 0.00 0.14 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.590 ( 0.000 8.138 23.519) 24.887 2.604 ( 0.000 -5.783 16.809) 17.776 2.738 ( 0.000 -2.445 -1.546) 2.893 3.106 ( 0.000 8.592 -6.206) 10.599 3.185 ( 0.000 3.658 -2.217) 4.277 3.396 ( 0.000 1.400 -15.848) 15.909 3.727 ( 0.000 -9.827 1.395) 9.926 3.740 ( 0.000 -6.089 -0.030) 6.089 3.940 ( 0.000 1.421 -3.815) 4.071 3.967 ( 0.000 -0.953 -8.936) 8.987 4.215 ( 0.000 -3.173 9.294) 9.821 4.537 ( 0.000 -6.055 -6.550) 8.920 6.924 ( 0.000 7.356 14.535) 16.291 7.463 ( 0.000 -4.821 -6.720) 8.270 7.719 ( 0.000 3.110 -1.611) 3.503 7.722 ( 0.000 7.459 -2.527) 7.875 8.653 ( 0.000 0.679 26.509) 26.517 8.699 ( 0.000 -0.466 16.392) 16.398 9.099 ( 0.000 -5.966 3.513) 6.924 9.306 ( 0.000 -0.613 -10.594) 10.612 9.509 ( 0.000 4.205 29.502) 29.800 9.754 ( 0.000 5.338 -0.465) 5.358 9.876 ( 0.000 2.907 -9.235) 9.682 10.232 ( 0.000 -8.879 -8.666) 12.406 10.727 ( 0.000 8.909 -19.451) 21.394 10.781 ( 0.000 8.013 -25.844) 27.058 11.328 ( 0.000 -1.516 16.044) 16.115 11.846 ( 0.000 -1.001 3.774) 3.905 11.905 ( 0.000 -3.973 0.513) 4.006 12.242 ( 0.000 -4.067 -26.324) 26.636 12.945 ( 0.000 2.099 10.007) 10.225 13.121 ( 0.000 -6.199 4.284) 7.535 13.143 ( 0.000 13.732 9.905) 16.931 13.241 ( 0.000 0.541 -2.423) 2.483 13.404 ( 0.000 -4.144 3.776) 5.606 13.501 ( 0.000 -9.705 -9.547) 13.614 13.541 ( 0.000 9.827 -3.131) 10.314 13.711 ( 0.000 -13.582 -1.810) 13.702 14.124 ( 0.000 -0.308 9.608) 9.613 14.266 ( 0.000 5.926 10.448) 12.011 14.496 ( 0.000 1.988 1.212) 2.329 14.900 ( 0.000 -2.712 -14.762) 15.010 15.053 ( 0.000 3.923 -8.642) 9.491 15.404 ( 0.000 4.636 7.912) 9.171 15.476 ( 0.000 12.827 -4.962) 13.753 15.992 ( 0.000 4.112 29.959) 30.240 16.430 ( 0.000 10.314 -28.872) 30.659 16.541 ( 0.000 -2.857 27.187) 27.337 17.201 ( 0.000 4.978 -23.326) 23.852 17.753 ( 0.000 -1.300 -26.428) 26.460 18.017 ( 0.000 -3.854 20.555) 20.913 18.507 ( 0.000 -16.212 9.092) 18.587 18.690 ( 0.000 -13.053 -10.201) 16.566 18.776 ( 0.000 -9.442 -4.714) 10.553 18.988 ( 0.000 -3.894 0.619) 3.943 19.075 ( 0.000 -12.311 -0.898) 12.344 21.269 ( 0.000 9.852 9.656) 13.795 21.452 ( 0.000 5.166 11.044) 12.193 21.664 ( 0.000 2.838 -6.538) 7.127 21.710 ( 0.000 3.754 -6.097) 7.160 ======================= Grid point 262 (87/120) ======================= q-point: ( 0.11 0.14 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( -6.033 4.170 15.762) 17.384 2.713 ( 4.916 -0.496 11.081) 12.133 2.735 ( 1.583 -1.833 3.311) 4.102 3.121 ( 0.024 -0.026 -2.448) 2.448 3.279 ( 6.659 7.023 -2.904) 10.105 3.466 ( 5.063 2.276 -12.953) 14.093 3.670 ( -4.880 -7.826 1.253) 9.308 3.688 ( -2.847 -6.594 0.018) 7.182 3.871 ( -5.916 1.122 -4.052) 7.258 3.924 ( -4.006 -0.017 -9.229) 10.062 4.264 ( 4.254 -4.037 8.649) 10.450 4.529 ( -0.404 -6.339 -5.068) 8.126 6.993 ( 6.231 8.577 14.609) 18.050 7.497 ( 2.795 -2.703 0.195) 3.893 7.751 ( 2.779 8.699 -2.796) 9.550 7.807 ( 7.874 3.364 -1.136) 8.637 8.669 ( 1.532 0.498 14.037) 14.129 8.766 ( 6.302 -2.929 17.858) 19.163 9.061 ( -3.569 -4.699 -0.857) 5.963 9.375 ( 5.651 1.415 -9.876) 11.466 9.554 ( 4.338 3.363 29.748) 30.250 9.719 ( -0.027 4.496 3.270) 5.560 10.004 ( 8.443 -0.121 -11.798) 14.508 10.281 ( 3.676 -0.870 -3.440) 5.110 10.544 ( -7.667 -0.447 -17.146) 18.788 10.947 ( 5.728 4.125 -17.437) 18.812 11.284 ( -1.987 2.981 5.547) 6.603 11.833 ( -2.616 -3.841 3.891) 6.061 11.879 ( -2.270 -2.632 -0.377) 3.496 12.048 ( -16.617 -1.105 -24.817) 29.887 12.792 ( -11.552 -1.571 9.299) 14.913 13.017 ( -10.251 0.650 3.167) 10.749 13.089 ( -4.132 -3.916 5.354) 7.815 13.176 ( -2.149 8.145 9.394) 12.618 13.388 ( -0.853 -8.869 0.680) 8.936 13.485 ( 0.103 13.531 -4.457) 14.246 13.656 ( 6.847 3.742 -9.929) 12.628 13.818 ( 2.044 -6.069 -8.242) 10.438 14.071 ( 1.090 -7.626 10.990) 13.421 14.379 ( 5.117 -0.451 3.832) 6.409 14.517 ( 0.477 3.136 -1.128) 3.367 14.936 ( 3.736 -3.400 -11.088) 12.185 15.059 ( 2.977 5.638 2.031) 6.692 15.304 ( -7.841 9.371 15.031) 19.371 15.562 ( 11.019 4.289 -13.166) 17.696 16.190 ( -2.005 10.884 -7.769) 13.522 16.244 ( 4.516 0.778 12.434) 13.252 16.645 ( 7.786 1.465 25.474) 26.677 17.385 ( 13.920 3.617 -24.066) 28.036 17.804 ( 4.955 -1.062 -23.906) 24.437 17.997 ( -1.334 -2.238 18.957) 19.135 18.622 ( 8.790 -18.981 6.855) 22.013 18.655 ( -3.585 -10.353 -11.636) 15.982 18.857 ( 6.186 -12.513 -5.336) 14.944 19.018 ( 4.185 -4.403 4.241) 7.408 19.108 ( 3.594 -10.236 0.383) 10.856 21.169 ( -9.330 10.739 8.167) 16.403 21.392 ( -5.638 4.911 10.132) 12.593 21.551 ( -11.241 5.375 -9.802) 15.853 21.639 ( -5.655 2.265 -3.112) 6.841 ======================= Grid point 263 (88/120) ======================= q-point: ( 0.22 0.14 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( -4.029 5.226 10.390) 12.308 2.718 ( -0.820 0.409 -9.173) 9.219 2.893 ( 9.014 -2.193 13.774) 16.607 3.100 ( -2.528 -4.263 1.433) 5.159 3.308 ( -3.592 0.505 0.046) 3.628 3.472 ( -4.835 3.510 -6.021) 8.483 3.593 ( -1.655 -6.519 -0.937) 6.791 3.713 ( -3.548 -0.680 -5.281) 6.398 3.742 ( 0.694 -0.440 -3.746) 3.835 3.821 ( -4.830 2.294 -8.577) 10.107 4.390 ( 8.022 -6.307 7.694) 12.780 4.545 ( 2.500 -7.425 -1.510) 7.978 7.160 ( 9.211 12.013 14.007) 20.624 7.571 ( 4.523 2.694 12.942) 13.972 7.812 ( 2.174 9.310 -6.455) 11.535 8.020 ( 11.749 3.895 -1.317) 12.448 8.703 ( 1.122 1.660 -2.996) 3.604 8.947 ( 9.448 -6.351 18.272) 21.528 8.958 ( -5.370 -0.993 -6.581) 8.552 9.497 ( 4.937 1.215 -6.179) 8.002 9.635 ( 2.097 0.410 15.637) 15.782 9.821 ( 10.392 6.522 16.546) 20.599 10.144 ( 3.386 -4.437 -3.386) 6.528 10.309 ( 0.889 -3.078 2.443) 4.029 10.555 ( 8.449 -0.773 -14.185) 16.529 10.909 ( -7.739 -5.521 -2.232) 9.765 11.348 ( 5.173 8.103 -18.876) 21.183 11.575 ( -20.097 3.283 -15.596) 25.649 11.760 ( -6.365 -3.141 0.720) 7.135 11.826 ( -5.943 -3.378 1.847) 7.081 12.575 ( -7.898 -4.665 4.607) 10.265 12.774 ( -10.921 -7.286 -0.452) 13.136 13.044 ( -0.054 3.367 8.713) 9.341 13.149 ( -0.913 7.775 9.435) 12.260 13.372 ( -0.880 -4.452 -0.277) 4.547 13.487 ( -1.394 13.706 -4.155) 14.389 13.707 ( -5.016 1.764 -5.333) 7.531 13.782 ( 2.438 6.955 -11.741) 13.862 14.085 ( -2.572 -7.808 -5.466) 9.872 14.349 ( -14.022 -0.412 -14.646) 20.280 14.584 ( 12.234 -1.757 11.453) 16.850 14.934 ( -3.868 10.841 8.395) 14.247 15.247 ( 10.838 -4.162 0.790) 11.636 15.356 ( 14.497 0.962 10.864) 18.141 15.810 ( 4.552 3.475 -15.807) 16.812 15.924 ( -3.751 2.379 -13.707) 14.409 16.634 ( 20.048 0.487 25.980) 32.819 16.867 ( 13.536 6.570 26.597) 30.558 17.662 ( 10.979 -0.346 -20.797) 23.520 17.948 ( 7.413 0.842 -7.741) 10.751 17.991 ( 1.732 0.657 3.103) 3.614 18.539 ( -5.951 -5.177 -9.870) 12.635 18.785 ( 5.885 -25.297 4.487) 26.357 18.955 ( 2.282 -17.846 -4.333) 18.506 19.205 ( 12.722 -5.726 7.350) 15.769 19.238 ( 8.159 -6.020 3.590) 10.756 20.901 ( -15.599 13.547 3.598) 20.972 21.199 ( -15.797 6.127 -4.518) 17.536 21.265 ( -11.426 6.666 1.154) 13.278 21.483 ( -9.153 2.047 -4.452) 10.382 ======================= Grid point 264 (89/120) ======================= q-point: ( 0.33 0.14 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( -0.026 5.765 4.988) 7.623 2.666 ( -4.943 1.900 -12.146) 13.250 3.013 ( -1.820 -3.755 2.076) 4.661 3.087 ( 6.643 -2.415 9.905) 12.168 3.197 ( -6.086 -4.819 -1.837) 7.977 3.395 ( -2.502 1.187 0.510) 2.816 3.525 ( -4.429 -2.959 -5.357) 7.555 3.576 ( -5.934 -0.789 -5.551) 8.163 3.737 ( -1.577 4.591 -3.932) 6.247 3.792 ( -0.378 1.819 -3.090) 3.605 4.579 ( 8.744 -9.906 5.984) 14.505 4.629 ( 4.876 -9.527 2.086) 10.903 7.359 ( 9.534 16.026 10.968) 21.634 7.702 ( 8.177 6.088 13.246) 16.715 7.816 ( -1.688 12.103 -4.653) 13.076 8.265 ( 10.677 4.286 -0.170) 11.506 8.703 ( -1.035 0.721 -9.818) 9.899 8.755 ( -13.326 6.241 -18.471) 23.616 9.184 ( 11.638 -7.652 20.169) 24.511 9.568 ( 3.477 -7.731 6.704) 10.807 9.692 ( 3.008 -2.409 13.377) 13.921 10.064 ( 10.332 5.393 14.527) 18.624 10.165 ( -0.304 -4.446 17.001) 17.575 10.355 ( -0.352 -13.398 -13.141) 18.770 10.723 ( -1.867 4.168 -3.314) 5.643 10.798 ( 8.636 -0.964 -10.892) 13.934 11.121 ( -15.137 7.093 -10.993) 20.007 11.467 ( -3.853 8.347 -17.700) 19.945 11.645 ( -2.579 -2.791 3.863) 5.419 11.707 ( -3.256 -4.620 2.064) 6.017 12.464 ( -3.349 -8.608 -2.211) 9.497 12.592 ( -6.769 -9.152 -4.629) 12.289 13.087 ( 3.247 10.243 5.833) 12.226 13.125 ( -1.219 4.647 4.436) 6.539 13.309 ( -4.669 1.455 2.862) 5.667 13.461 ( 0.773 3.483 -6.828) 7.704 13.623 ( -2.029 -1.322 -2.319) 3.353 13.856 ( 3.200 12.904 -9.568) 16.380 13.999 ( -4.898 -2.955 -8.244) 10.034 14.029 ( -14.777 -0.978 -12.207) 19.192 14.675 ( -1.449 24.553 5.220) 25.144 14.989 ( 4.331 1.720 3.542) 5.854 15.388 ( 3.486 -6.065 -1.609) 7.178 15.638 ( 5.823 -11.108 -0.762) 12.565 15.805 ( 11.811 3.042 6.425) 13.785 16.123 ( 9.970 -10.338 -3.364) 14.751 17.000 ( 14.461 5.773 18.654) 24.299 17.209 ( 18.510 6.958 22.084) 29.643 17.794 ( 0.391 -3.679 -14.398) 14.866 17.986 ( -4.566 6.267 -5.481) 9.496 18.112 ( 9.818 0.196 6.066) 11.542 18.536 ( 7.704 -8.244 -6.361) 12.952 18.871 ( 1.526 -25.414 3.670) 25.723 18.954 ( -1.791 -20.334 -0.075) 20.412 19.387 ( 5.717 -4.108 8.749) 11.230 19.470 ( 10.280 -9.358 9.687) 16.943 20.568 ( -14.614 18.447 -5.100) 24.080 20.816 ( -18.036 10.853 -14.195) 25.388 21.079 ( -7.011 4.953 2.520) 8.947 21.274 ( -10.310 2.479 -6.583) 12.481 ======================= Grid point 265 (90/120) ======================= q-point: ( 0.44 0.14 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( 5.050 5.372 -1.501) 7.524 2.517 ( -8.122 3.829 -8.015) 12.036 3.009 ( 1.896 -3.063 -0.669) 3.664 3.080 ( -4.639 -3.783 -1.764) 6.240 3.218 ( 5.289 -2.532 4.235) 7.233 3.321 ( -4.689 -2.468 2.764) 5.976 3.465 ( -0.744 -1.553 -6.516) 6.740 3.486 ( -2.630 -2.247 -5.813) 6.764 3.735 ( 1.063 5.153 0.038) 5.262 3.766 ( -1.615 4.538 -0.722) 4.871 4.707 ( 3.214 -11.988 5.241) 13.472 4.715 ( 2.444 -11.639 4.583) 12.745 7.548 ( 8.489 17.495 5.248) 20.142 7.707 ( -6.355 15.575 -2.537) 17.012 7.966 ( 15.052 7.601 8.697) 18.973 8.303 ( -13.386 7.064 3.488) 15.532 8.566 ( 2.771 4.973 -17.805) 18.693 8.659 ( -3.507 2.144 -11.706) 12.407 9.424 ( 10.999 -10.104 18.136) 23.494 9.597 ( -3.958 -10.341 12.061) 16.373 9.792 ( 9.069 -10.925 14.574) 20.347 10.040 ( -12.428 -9.738 12.960) 20.427 10.214 ( 4.641 4.266 6.025) 8.720 10.287 ( -2.537 -4.342 -4.982) 7.079 10.778 ( 5.848 5.966 -5.020) 9.746 10.898 ( -6.178 5.401 -8.663) 11.933 11.039 ( 11.138 4.302 -3.196) 12.360 11.277 ( -11.231 2.548 -4.659) 12.423 11.644 ( 1.472 -0.403 -0.635) 1.653 11.681 ( -1.258 0.002 -5.209) 5.359 12.428 ( 0.165 -10.985 -5.512) 12.292 12.476 ( -4.252 -10.804 -6.402) 13.258 13.091 ( -0.335 8.554 2.257) 8.853 13.112 ( -1.984 9.416 0.352) 9.629 13.332 ( 6.962 -0.286 -4.487) 8.288 13.460 ( -3.030 -4.688 -8.626) 10.275 13.629 ( 3.121 2.207 1.018) 3.955 13.760 ( -9.885 -0.089 -2.060) 10.098 13.891 ( 0.470 10.416 -5.433) 11.758 13.917 ( -2.749 2.203 -6.083) 7.030 14.712 ( 6.052 27.793 -5.138) 28.904 14.896 ( -9.827 21.732 -10.555) 26.082 15.540 ( 9.082 -18.258 9.078) 22.321 15.670 ( -2.423 -19.094 4.748) 19.824 16.092 ( 11.646 -2.588 9.847) 15.469 16.230 ( -0.769 -11.166 3.580) 11.751 17.282 ( 13.861 11.281 5.701) 18.759 17.524 ( 1.623 0.197 2.179) 2.724 17.679 ( -0.137 8.262 3.395) 8.933 17.862 ( -7.687 3.292 1.204) 8.449 18.400 ( 16.523 -6.707 11.144) 21.028 18.701 ( -5.670 -5.099 1.137) 7.710 18.810 ( 4.080 -28.525 2.895) 28.960 18.932 ( -2.422 -24.394 0.520) 24.520 19.484 ( 4.329 -3.153 14.090) 15.073 19.565 ( -1.539 -8.134 15.129) 17.246 20.385 ( -1.161 20.072 -16.572) 26.055 20.503 ( -11.157 14.766 -18.544) 26.199 20.999 ( 0.019 4.286 -3.428) 5.488 21.081 ( -7.336 3.329 -7.017) 10.684 ======================= Grid point 270 (91/120) ======================= q-point: ( 0.00 0.29 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.534 ( 0.000 -0.596 12.508) 12.522 2.688 ( 0.000 -1.389 0.551) 1.494 2.804 ( 0.000 12.148 17.161) 21.026 3.241 ( 0.000 0.531 -1.187) 1.300 3.270 ( 0.000 5.974 -2.546) 6.494 3.436 ( 0.000 2.186 -12.293) 12.485 3.504 ( 0.000 -10.822 -0.321) 10.827 3.641 ( 0.000 -1.883 -3.058) 3.591 3.912 ( 0.000 -4.786 -8.406) 9.673 3.932 ( 0.000 -2.306 -4.639) 5.180 4.145 ( 0.000 -3.255 3.924) 5.098 4.389 ( 0.000 -8.416 -6.912) 10.891 7.086 ( 0.000 8.240 6.166) 10.292 7.383 ( 0.000 -3.651 -6.775) 7.696 7.797 ( 0.000 4.563 2.541) 5.223 7.846 ( 0.000 4.952 0.732) 5.006 8.654 ( 0.000 -0.510 19.533) 19.539 8.769 ( 0.000 8.211 21.238) 22.770 8.963 ( 0.000 -7.829 9.733) 12.491 9.238 ( 0.000 -5.697 -5.279) 7.766 9.627 ( 0.000 7.340 21.646) 22.857 9.900 ( 0.000 8.255 -3.022) 8.791 9.934 ( 0.000 2.122 -6.469) 6.808 10.076 ( 0.000 -6.328 -1.576) 6.522 10.877 ( 0.000 6.134 -16.968) 18.043 11.010 ( 0.000 14.502 -16.507) 21.973 11.272 ( 0.000 -3.494 2.591) 4.350 11.831 ( 0.000 -0.338 4.236) 4.249 11.837 ( 0.000 -2.186 3.218) 3.890 12.117 ( 0.000 -9.283 -29.075) 30.521 12.987 ( 0.000 1.256 8.361) 8.455 12.991 ( 0.000 -5.900 3.573) 6.897 13.162 ( 0.000 -10.646 2.269) 10.886 13.270 ( 0.000 -12.818 -6.333) 14.297 13.308 ( 0.000 -0.791 1.143) 1.391 13.394 ( 0.000 -1.516 -0.025) 1.517 13.537 ( 0.000 9.271 6.039) 11.065 13.801 ( 0.000 12.866 -5.220) 13.885 14.158 ( 0.000 3.193 9.722) 10.233 14.316 ( 0.000 -0.427 1.442) 1.504 14.603 ( 0.000 8.995 6.697) 11.215 14.875 ( 0.000 1.501 -16.930) 16.996 15.119 ( 0.000 1.815 -7.760) 7.970 15.384 ( 0.000 -6.885 0.250) 6.889 15.846 ( 0.000 21.504 9.912) 23.678 16.090 ( 0.000 5.379 27.307) 27.831 16.524 ( 0.000 2.985 20.165) 20.384 16.703 ( 0.000 16.804 -26.442) 31.330 17.308 ( 0.000 4.760 -19.432) 20.006 17.727 ( 0.000 -0.998 -24.534) 24.554 17.909 ( 0.000 -6.985 16.390) 17.816 18.010 ( 0.000 -31.744 8.348) 32.823 18.452 ( 0.000 -11.921 -1.261) 11.988 18.486 ( 0.000 -17.931 -10.111) 20.585 18.871 ( 0.000 -7.447 3.626) 8.283 18.892 ( 0.000 -5.408 -1.418) 5.591 21.481 ( 0.000 10.584 6.580) 12.462 21.579 ( 0.000 7.276 7.247) 10.269 21.714 ( 0.000 1.939 -1.566) 2.493 21.781 ( 0.000 2.598 -6.879) 7.353 ======================= Grid point 271 (92/120) ======================= q-point: ( 0.11 0.29 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.536 ( -0.729 2.419 8.706) 9.066 2.702 ( 1.495 -1.127 0.115) 1.876 2.800 ( 0.954 9.184 14.730) 17.385 3.133 ( -4.964 0.645 -1.162) 5.139 3.367 ( -0.411 -3.660 4.291) 5.655 3.462 ( -1.210 -5.734 -4.826) 7.591 3.523 ( 6.937 -0.681 -7.231) 10.043 3.617 ( -0.939 2.209 -5.085) 5.623 3.860 ( -5.572 -2.580 -5.086) 7.973 3.895 ( -2.279 -2.819 -8.730) 9.453 4.178 ( 2.851 -3.964 3.616) 6.076 4.380 ( -0.667 -8.210 -5.717) 10.027 7.182 ( 8.853 9.554 6.714) 14.654 7.458 ( 6.837 -1.640 -3.613) 7.905 7.887 ( 6.571 5.310 4.878) 9.755 7.932 ( 8.482 8.173 0.905) 11.814 8.680 ( 3.473 -1.020 13.551) 14.026 8.726 ( -2.612 0.569 22.243) 22.403 8.982 ( 0.590 -2.298 1.993) 3.098 9.328 ( 7.450 -5.943 -6.107) 11.319 9.650 ( 1.852 6.079 23.391) 24.239 9.847 ( -1.082 7.555 2.939) 8.178 9.988 ( 3.020 -1.901 -5.178) 6.289 10.224 ( 11.627 -3.896 -7.878) 14.575 10.653 ( -15.362 10.862 -11.811) 22.215 11.034 ( -2.590 5.326 -4.640) 7.524 11.299 ( 2.822 -3.033 -8.180) 9.170 11.746 ( -6.996 -4.650 3.511) 9.104 11.841 ( -1.378 -0.656 -1.051) 1.853 11.995 ( -9.718 -4.162 -25.457) 27.565 12.766 ( -14.941 -1.628 5.490) 16.001 12.950 ( -17.063 -5.814 -1.275) 18.072 13.017 ( 1.139 -1.827 6.155) 6.521 13.208 ( 3.531 -6.828 0.089) 7.687 13.399 ( 1.772 4.555 6.737) 8.323 13.579 ( 9.531 -7.731 -1.730) 12.394 13.697 ( 11.732 5.917 -1.149) 13.190 13.875 ( 5.134 14.814 -8.800) 17.980 14.036 ( -7.107 2.976 11.067) 13.485 14.330 ( -0.231 -3.847 -0.693) 3.916 14.618 ( -2.407 7.412 -2.490) 8.181 14.850 ( -0.106 -1.828 -16.098) 16.202 15.143 ( 5.625 1.752 4.621) 7.488 15.483 ( 7.075 -6.998 2.195) 10.191 15.682 ( -9.437 19.461 10.948) 24.242 16.261 ( 6.336 0.985 15.574) 16.842 16.477 ( -2.186 17.412 -4.088) 18.019 16.731 ( 7.438 8.238 8.319) 13.871 17.442 ( 9.290 0.436 -19.865) 21.934 17.793 ( 6.851 0.544 -21.219) 22.304 17.931 ( 1.940 -6.662 13.757) 15.408 18.083 ( 6.260 -28.663 7.818) 30.363 18.457 ( 0.311 -14.195 -5.519) 15.233 18.564 ( 5.399 -13.095 -7.928) 16.232 18.895 ( 1.758 -7.101 2.541) 7.744 18.920 ( 4.471 -8.565 3.461) 10.263 21.398 ( -7.678 11.410 5.208) 14.706 21.513 ( -6.129 6.876 6.458) 11.249 21.646 ( -7.449 3.410 -4.606) 9.398 21.688 ( -7.481 2.189 -4.441) 8.971 ======================= Grid point 272 (93/120) ======================= q-point: ( 0.22 0.29 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.495 ( -2.378 7.393 4.913) 9.190 2.731 ( 0.709 0.589 -6.196) 6.264 2.883 ( 6.292 2.303 11.719) 13.499 3.040 ( -3.964 -1.714 1.883) 4.712 3.245 ( -8.115 -6.405 4.128) 11.132 3.421 ( -3.460 -9.155 2.139) 10.018 3.564 ( -1.966 3.038 -5.699) 6.750 3.688 ( -3.658 -1.883 -8.128) 9.110 3.754 ( 3.483 1.753 -4.445) 5.913 3.850 ( -1.765 0.819 -9.317) 9.518 4.255 ( 4.565 -6.280 3.427) 8.487 4.378 ( 0.878 -8.642 -2.786) 9.123 7.430 ( 14.162 13.703 8.045) 21.286 7.645 ( 10.387 4.095 4.585) 12.069 8.005 ( 4.828 9.161 6.350) 12.147 8.172 ( 12.690 12.206 -0.061) 17.607 8.695 ( -0.058 -4.732 13.496) 14.301 8.821 ( 8.838 -3.747 9.157) 13.267 8.976 ( -0.488 2.812 -3.833) 4.779 9.473 ( 3.501 -4.427 -8.163) 9.924 9.663 ( -0.843 1.484 11.814) 11.937 9.861 ( 1.074 -3.872 9.047) 9.899 10.051 ( 1.816 -1.786 -1.419) 2.916 10.354 ( -7.087 3.342 -1.659) 8.009 10.506 ( 11.619 0.968 -5.536) 12.907 10.921 ( -6.183 6.260 -1.295) 8.893 11.331 ( -2.082 -10.200 -6.083) 12.057 11.603 ( -3.792 -4.947 -2.985) 6.911 11.750 ( -7.061 3.970 -9.617) 12.574 11.790 ( -9.004 1.944 -11.456) 14.700 12.468 ( -12.282 -5.426 1.213) 13.482 12.616 ( -13.568 -8.417 -2.756) 16.203 13.080 ( 4.391 3.391 5.348) 7.706 13.281 ( 2.957 -0.671 2.411) 3.874 13.393 ( -1.701 8.752 3.044) 9.421 13.670 ( -6.306 -3.283 -3.999) 8.157 13.814 ( 1.867 17.257 -1.743) 17.445 13.904 ( 0.799 -5.507 1.279) 5.710 14.061 ( 6.482 14.912 -4.986) 17.007 14.327 ( -5.335 -4.595 -7.560) 10.331 14.524 ( 3.246 2.484 0.779) 4.161 14.938 ( 8.351 -9.782 -12.163) 17.702 15.346 ( 7.175 7.079 11.642) 15.399 15.495 ( 0.008 16.356 14.831) 22.079 15.675 ( 6.595 -15.476 -0.161) 16.823 16.106 ( -13.179 13.932 -15.655) 24.756 16.689 ( 15.699 4.682 15.463) 22.528 16.988 ( 15.495 5.377 17.396) 23.909 17.610 ( 6.792 -6.515 -13.658) 16.587 17.958 ( 4.120 -3.301 9.163) 10.575 18.026 ( 10.429 1.611 -13.938) 17.482 18.242 ( 8.527 -20.862 5.237) 23.138 18.418 ( -4.553 -9.006 -5.441) 11.465 18.640 ( 1.523 -10.857 -7.105) 13.064 19.013 ( 9.261 -12.845 7.715) 17.614 19.053 ( 7.419 -11.841 4.772) 14.766 21.181 ( -12.436 13.595 1.210) 18.465 21.333 ( -11.357 6.922 0.902) 13.331 21.402 ( -13.210 6.224 -4.808) 15.374 21.521 ( -9.006 1.314 -3.795) 9.861 ======================= Grid point 273 (94/120) ======================= q-point: ( 0.33 0.29 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.468 ( 0.257 8.870 2.465) 9.210 2.717 ( -2.630 2.995 -9.400) 10.210 2.945 ( -1.964 -2.887 2.414) 4.245 3.042 ( 5.251 -1.246 10.055) 11.412 3.089 ( -5.613 -6.069 0.148) 8.268 3.344 ( -3.633 -5.810 3.815) 7.843 3.490 ( -4.470 -1.056 -7.757) 9.014 3.549 ( -6.563 -2.279 -5.766) 9.028 3.826 ( 0.180 4.334 -4.843) 6.502 3.849 ( 2.443 3.825 -3.369) 5.652 4.359 ( 4.750 -11.076 3.278) 12.489 4.415 ( 2.200 -11.146 0.262) 11.364 7.739 ( 14.498 20.365 8.173) 26.300 7.872 ( 11.516 10.583 11.343) 19.320 8.093 ( 3.276 14.548 2.386) 15.102 8.417 ( 10.186 12.408 -0.465) 16.060 8.701 ( 0.167 -0.957 -0.954) 1.362 8.909 ( -3.662 2.976 -3.323) 5.771 9.040 ( 6.740 -0.736 3.236) 7.513 9.398 ( -5.752 -7.952 4.258) 10.698 9.610 ( -5.686 -6.022 6.116) 10.295 9.905 ( 2.133 -17.525 -1.861) 17.753 10.046 ( 0.896 -8.562 5.707) 10.328 10.269 ( -6.435 -2.279 1.686) 7.032 10.727 ( 10.572 3.238 1.439) 11.150 10.916 ( 6.432 9.669 -1.450) 11.703 11.216 ( -7.280 0.779 1.292) 7.435 11.493 ( -9.291 -7.095 5.220) 12.802 11.646 ( -2.087 1.125 -7.563) 7.926 11.704 ( 2.384 8.139 -18.660) 20.497 12.268 ( -7.025 -10.138 -4.755) 13.218 12.398 ( -7.921 -10.168 -7.532) 14.928 13.162 ( 2.471 2.823 2.748) 4.651 13.324 ( 2.047 5.220 5.001) 7.514 13.357 ( -2.309 4.804 -1.749) 5.609 13.460 ( -9.212 1.942 -7.012) 11.739 13.789 ( -5.242 10.156 -0.209) 11.431 13.917 ( -0.532 1.844 -1.065) 2.195 14.127 ( -4.806 8.396 -7.966) 12.531 14.190 ( 2.537 18.782 -7.484) 20.377 14.780 ( 15.490 -10.210 9.919) 21.037 15.136 ( 8.750 -13.823 -5.071) 17.127 15.316 ( -2.623 27.715 7.523) 28.838 15.663 ( 4.878 0.349 4.869) 6.901 15.801 ( 4.954 -20.401 2.021) 21.091 15.863 ( -6.052 11.065 -12.262) 17.590 17.022 ( 15.362 -4.905 11.734) 19.944 17.306 ( 12.826 -2.781 8.744) 15.770 17.736 ( 5.663 -2.020 1.951) 6.321 18.041 ( 5.270 -3.151 9.429) 11.252 18.214 ( 1.030 10.007 -8.966) 13.476 18.304 ( -0.224 -10.422 -0.748) 10.451 18.428 ( 8.061 -13.737 3.248) 16.255 18.644 ( -1.034 -10.665 -3.650) 11.320 19.192 ( 5.359 -14.549 8.654) 17.756 19.210 ( 7.919 -16.627 9.470) 20.708 20.921 ( -11.233 16.256 -5.106) 20.408 21.043 ( -14.136 11.070 -10.227) 20.663 21.183 ( -7.897 4.871 -0.538) 9.294 21.320 ( -9.683 1.608 -6.328) 11.678 ======================= Grid point 274 (95/120) ======================= q-point: ( 0.44 0.29 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( 3.864 8.425 -0.666) 9.293 2.619 ( -5.855 6.227 -5.135) 9.971 2.936 ( 1.227 -4.210 1.355) 4.589 2.984 ( -3.368 -5.718 2.389) 7.053 3.172 ( 5.543 -1.531 0.872) 5.816 3.269 ( -3.773 -2.455 1.674) 4.803 3.412 ( -2.091 -3.901 -7.090) 8.358 3.433 ( -3.972 -3.396 -6.051) 7.995 3.848 ( 1.687 6.252 -0.238) 6.480 3.872 ( -0.180 6.070 -0.653) 6.107 4.433 ( 2.182 -14.585 3.395) 15.133 4.449 ( 0.620 -14.165 2.533) 14.403 7.980 ( 8.347 24.404 7.735) 26.927 8.090 ( -0.588 21.941 1.390) 21.993 8.184 ( 14.823 14.711 7.880) 22.321 8.499 ( -8.565 12.674 4.103) 15.837 8.701 ( 1.350 7.153 -11.893) 13.944 8.758 ( -4.505 9.417 -13.701) 17.225 9.173 ( 6.968 -14.268 14.564) 21.546 9.335 ( -6.343 -15.279 6.584) 17.806 9.550 ( 6.079 -13.208 8.805) 16.998 9.783 ( -12.427 -14.728 2.512) 19.434 10.124 ( 4.018 -14.465 -0.227) 15.015 10.170 ( -1.507 -10.481 0.445) 10.598 10.929 ( 6.743 9.464 3.559) 12.153 11.028 ( -2.194 7.503 -0.999) 7.880 11.130 ( 5.501 4.873 5.279) 9.049 11.301 ( -8.626 0.300 5.795) 10.396 11.679 ( 3.948 3.719 -7.215) 9.027 11.741 ( -0.578 5.798 -15.489) 16.549 12.186 ( -0.249 -12.735 -7.846) 14.960 12.255 ( -5.898 -11.170 -9.240) 15.650 13.202 ( 2.315 2.661 -0.313) 3.541 13.266 ( -4.243 3.573 -0.753) 5.598 13.364 ( 0.406 1.416 -5.571) 5.762 13.366 ( -1.199 -2.778 -8.836) 9.340 13.713 ( 0.128 9.446 2.825) 9.860 13.804 ( -7.159 8.479 -0.317) 11.101 14.146 ( 4.009 16.996 -2.132) 17.592 14.211 ( -1.396 19.083 -3.928) 19.533 15.071 ( 11.236 -14.425 10.293) 20.983 15.217 ( -2.467 -15.629 6.847) 17.240 15.343 ( 6.316 30.402 -4.365) 31.356 15.527 ( -10.377 23.326 -8.958) 27.056 15.899 ( 3.752 -18.709 1.099) 19.113 15.911 ( 2.802 -17.314 -0.353) 17.542 17.299 ( 10.528 -13.576 4.321) 17.715 17.432 ( -1.241 -16.977 -1.518) 17.090 17.882 ( 8.377 14.654 11.937) 20.674 18.054 ( -7.488 16.070 4.998) 18.420 18.222 ( 8.145 -10.576 7.634) 15.378 18.355 ( -1.690 -10.401 6.373) 12.315 18.558 ( 3.891 -10.158 1.260) 10.950 18.607 ( -1.764 -6.985 -1.648) 7.390 19.276 ( 2.933 -16.221 12.195) 20.505 19.304 ( 1.000 -17.445 11.714) 21.036 20.763 ( -3.008 17.101 -11.653) 20.911 20.810 ( -7.308 14.776 -13.562) 21.347 21.086 ( -0.955 3.702 -4.856) 6.181 21.146 ( -6.292 2.474 -7.374) 10.005 ======================= Grid point 279 (96/120) ======================= q-point: ( 0.00 0.43 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.582 ( 0.000 4.684 8.313) 9.542 2.661 ( 0.000 -2.326 3.614) 4.298 3.030 ( 0.000 9.671 11.526) 15.046 3.206 ( 0.000 -9.725 5.113) 10.987 3.230 ( 0.000 1.726 -2.878) 3.356 3.329 ( 0.000 -5.728 -4.499) 7.284 3.586 ( 0.000 9.407 -8.195) 12.476 3.692 ( 0.000 4.392 -3.192) 5.430 3.790 ( 0.000 -6.329 -9.735) 11.611 3.848 ( 0.000 -6.116 -5.932) 8.520 4.130 ( 0.000 2.453 -1.761) 3.020 4.231 ( 0.000 -7.282 -5.815) 9.319 7.222 ( 0.000 5.670 -1.433) 5.848 7.312 ( 0.000 -3.874 -5.401) 6.647 7.879 ( 0.000 3.230 4.096) 5.217 7.904 ( 0.000 0.829 3.000) 3.113 8.680 ( 0.000 3.872 18.789) 19.184 8.803 ( 0.000 -8.062 15.671) 17.624 8.956 ( 0.000 9.513 12.376) 15.610 9.114 ( 0.000 -6.903 1.577) 7.081 9.772 ( 0.000 7.167 14.762) 16.410 9.897 ( 0.000 -5.416 5.076) 7.423 10.021 ( 0.000 3.347 -2.305) 4.064 10.034 ( 0.000 0.879 -0.424) 0.976 10.977 ( 0.000 4.865 -9.396) 10.581 11.087 ( 0.000 -5.939 4.684) 7.564 11.449 ( 0.000 20.857 -29.101) 35.803 11.824 ( 0.000 0.361 4.755) 4.768 11.830 ( 0.000 -0.598 4.136) 4.179 11.853 ( 0.000 -17.654 -28.672) 33.671 12.930 ( 0.000 0.317 0.792) 0.853 12.970 ( 0.000 -2.373 2.709) 3.601 12.993 ( 0.000 -4.252 -1.386) 4.472 13.044 ( 0.000 -9.018 -5.497) 10.561 13.304 ( 0.000 -0.371 3.241) 3.262 13.307 ( 0.000 -1.706 1.570) 2.319 13.825 ( 0.000 12.372 6.395) 13.927 13.944 ( 0.000 0.696 0.405) 0.805 14.225 ( 0.000 3.371 5.986) 6.870 14.283 ( 0.000 -2.501 1.829) 3.098 14.836 ( 0.000 14.836 6.357) 16.141 14.971 ( 0.000 7.245 -15.525) 17.132 15.098 ( 0.000 -4.171 -8.919) 9.846 15.152 ( 0.000 -15.625 6.582) 16.954 16.154 ( 0.000 7.214 11.360) 13.457 16.177 ( 0.000 2.812 19.128) 19.334 16.768 ( 0.000 23.780 15.060) 28.147 17.045 ( 0.000 17.171 -19.758) 26.177 17.308 ( 0.000 -7.033 -15.002) 16.569 17.358 ( 0.000 -33.608 11.406) 35.491 17.728 ( 0.000 1.312 -19.920) 19.963 17.781 ( 0.000 -4.695 -3.092) 5.622 18.218 ( 0.000 -6.842 -3.293) 7.593 18.244 ( 0.000 -7.996 2.516) 8.382 18.783 ( 0.000 -1.645 1.696) 2.363 18.802 ( 0.000 -3.279 -0.672) 3.347 21.650 ( 0.000 6.343 3.592) 7.289 21.712 ( 0.000 5.825 2.316) 6.269 21.724 ( 0.000 -1.378 0.989) 1.696 21.790 ( 0.000 -1.895 -2.847) 3.420 ======================= Grid point 280 (97/120) ======================= q-point: ( 0.11 0.43 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.606 ( 1.815 4.685 5.890) 7.742 2.681 ( 1.759 -2.089 2.634) 3.794 3.000 ( -2.118 9.696 10.416) 14.387 3.159 ( -4.945 3.880 -1.141) 6.388 3.183 ( -2.541 -10.398 4.897) 11.771 3.301 ( -3.191 -8.778 -1.515) 9.462 3.638 ( 3.044 7.440 -7.846) 11.233 3.706 ( 0.704 5.756 -5.866) 8.249 3.771 ( -2.516 -6.049 -6.708) 9.377 3.819 ( -0.506 -5.146 -7.699) 9.275 4.147 ( 1.541 1.584 -1.508) 2.675 4.233 ( 0.135 -6.500 -5.010) 8.208 7.335 ( 10.487 5.956 -0.691) 12.080 7.418 ( 9.776 -2.840 -4.073) 10.965 7.990 ( 9.203 4.727 6.985) 12.483 8.033 ( 11.831 1.313 4.215) 12.628 8.669 ( -0.101 1.155 16.888) 16.927 8.717 ( -4.689 -2.610 18.370) 19.138 9.024 ( 3.801 6.540 3.447) 8.312 9.180 ( 5.418 -8.454 -1.801) 10.201 9.769 ( -1.203 5.830 16.163) 17.224 9.876 ( -3.153 -4.820 8.216) 10.034 10.037 ( 4.551 7.098 -1.683) 8.598 10.151 ( 7.795 -4.270 -5.044) 10.219 10.880 ( -9.057 10.939 -8.097) 16.348 11.073 ( -1.005 -7.319 4.156) 8.476 11.302 ( -10.535 11.392 -16.920) 22.958 11.584 ( -12.700 -13.212 -6.095) 19.313 11.869 ( 1.055 2.770 -6.398) 7.051 11.921 ( -0.716 -2.838 -16.241) 16.502 12.750 ( -15.832 1.013 0.786) 15.884 12.822 ( -16.580 -6.094 -1.839) 17.760 13.030 ( 7.070 3.055 4.346) 8.844 13.114 ( 9.378 -4.411 1.176) 10.430 13.359 ( 4.982 -1.520 0.836) 5.275 13.419 ( 7.085 -6.613 -1.444) 9.798 13.942 ( 8.396 12.182 5.124) 15.657 14.061 ( 9.145 1.164 0.621) 9.239 14.120 ( -7.799 6.094 2.849) 10.300 14.239 ( -4.004 -5.486 -0.370) 6.802 14.821 ( -3.403 13.242 -3.726) 14.171 14.918 ( -3.873 7.150 -14.812) 16.897 15.103 ( 4.439 -5.264 5.295) 8.686 15.220 ( 3.966 -16.014 4.188) 17.021 16.059 ( -5.154 15.506 13.807) 21.392 16.243 ( 2.497 -4.069 12.401) 13.289 16.858 ( 5.931 22.584 9.175) 25.088 16.983 ( -2.400 16.418 -11.739) 20.325 17.325 ( 1.220 -12.795 -11.634) 17.336 17.418 ( 5.542 -30.853 11.754) 33.478 17.834 ( 9.600 2.972 -16.047) 18.935 17.899 ( 10.024 -3.505 -4.919) 11.703 18.261 ( 4.788 -1.849 -0.679) 5.177 18.356 ( 8.567 -9.042 -0.818) 12.483 18.786 ( -0.942 -3.158 0.921) 3.422 18.793 ( 0.671 -3.845 1.688) 4.252 21.581 ( -6.440 6.877 2.489) 9.745 21.631 ( -7.036 4.213 1.925) 8.424 21.670 ( -5.343 -0.549 -0.116) 5.372 21.702 ( -8.007 -1.098 -3.028) 8.630 ======================= Grid point 281 (98/120) ======================= q-point: ( 0.22 0.43 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.632 ( 0.465 6.326 1.458) 6.509 2.720 ( 1.672 -2.277 -0.962) 2.985 2.974 ( -0.683 5.420 6.880) 8.785 3.058 ( -3.617 4.140 -0.459) 5.517 3.101 ( -5.269 -6.276 8.319) 11.677 3.231 ( -2.459 -9.937 4.057) 11.011 3.599 ( -5.030 1.291 -7.112) 8.807 3.639 ( -6.803 -2.737 -8.555) 11.268 3.808 ( 5.250 3.244 -5.678) 8.386 3.854 ( 2.344 -0.934 -7.281) 7.706 4.184 ( 1.612 -0.445 -0.504) 1.746 4.237 ( 0.247 -5.434 -2.818) 6.126 7.636 ( 17.728 6.876 1.320) 19.060 7.696 ( 16.154 0.379 -0.449) 16.164 8.182 ( 7.961 9.700 14.227) 18.970 8.342 ( 15.611 -2.214 8.630) 17.975 8.636 ( -0.314 5.399 16.750) 17.601 8.769 ( 8.086 -4.309 6.437) 11.198 9.078 ( 1.301 8.432 -4.236) 9.525 9.299 ( 5.070 -12.397 -8.715) 15.980 9.694 ( -6.157 1.730 10.537) 12.326 9.750 ( -9.036 -4.826 7.661) 12.792 10.111 ( -2.234 6.608 -3.535) 7.820 10.263 ( -0.656 -8.025 -8.037) 11.376 10.730 ( 0.530 16.222 3.058) 16.516 11.054 ( -1.239 -16.269 0.836) 16.338 11.117 ( -3.221 12.893 0.417) 13.296 11.392 ( -5.855 -14.029 -0.849) 15.225 11.847 ( -4.165 3.016 -15.927) 16.737 11.850 ( -3.438 2.811 -13.926) 14.617 12.402 ( -15.720 -0.367 -2.032) 15.855 12.466 ( -15.602 -6.322 -3.779) 17.254 13.191 ( 6.453 7.358 4.016) 10.578 13.293 ( 5.702 -0.253 2.398) 6.191 13.443 ( 1.534 -0.368 -0.948) 1.841 13.539 ( 3.201 -8.503 -1.977) 9.298 13.945 ( -5.422 8.822 4.243) 11.191 14.100 ( 3.804 5.000 -1.437) 6.445 14.163 ( -1.217 -2.230 -0.405) 2.572 14.264 ( 8.361 -0.833 -2.924) 8.896 14.736 ( -1.697 16.924 -4.541) 17.605 14.894 ( 2.556 5.295 -10.268) 11.833 15.249 ( 7.220 -11.699 7.555) 15.687 15.293 ( 3.484 -17.464 4.242) 18.307 15.969 ( -3.027 23.347 10.535) 25.792 16.261 ( -0.746 -3.323 2.830) 4.428 16.851 ( -2.568 13.644 -6.128) 15.175 17.063 ( 3.148 -0.623 -2.175) 3.877 17.415 ( 9.894 -7.587 7.228) 14.412 17.592 ( 10.960 -21.699 13.803) 27.955 18.078 ( 12.425 3.737 -9.725) 16.215 18.138 ( 11.620 -1.917 -6.847) 13.623 18.387 ( 6.469 7.256 0.371) 9.728 18.533 ( 6.246 -3.580 -1.753) 7.409 18.773 ( 0.978 -8.152 5.325) 9.786 18.824 ( 2.080 -10.158 2.938) 10.777 21.395 ( -10.777 7.893 -0.576) 13.371 21.442 ( -10.411 3.507 0.085) 10.986 21.479 ( -12.275 1.562 -4.189) 13.064 21.516 ( -9.192 -2.027 -2.791) 9.818 ======================= Grid point 282 (99/120) ======================= q-point: ( 0.33 0.43 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.640 ( 0.842 8.050 0.362) 8.102 2.744 ( 0.657 -1.666 -3.863) 4.258 2.914 ( -4.197 0.338 2.700) 5.002 2.970 ( -5.879 -5.033 3.953) 8.690 3.078 ( 3.576 4.707 4.614) 7.499 3.207 ( -0.033 -7.598 4.651) 8.908 3.473 ( -6.658 -0.238 -8.266) 10.617 3.496 ( -6.748 -2.495 -6.913) 9.977 3.900 ( 3.364 3.082 -4.130) 6.155 3.917 ( 4.303 2.038 -3.568) 5.950 4.202 ( -0.075 -3.777 0.953) 3.896 4.236 ( -0.644 -6.479 -0.429) 6.525 8.043 ( 20.228 8.856 3.554) 22.365 8.060 ( 18.194 6.547 4.593) 19.874 8.337 ( 7.858 11.336 13.915) 19.592 8.573 ( 6.727 -11.845 16.894) 21.702 8.749 ( 9.495 18.029 2.061) 20.481 8.918 ( 1.931 1.963 1.030) 2.940 9.106 ( 2.806 2.604 -3.058) 4.899 9.304 ( -8.459 -6.935 -7.383) 13.197 9.498 ( -12.851 -2.791 3.968) 13.736 9.582 ( -1.597 -11.091 -2.997) 11.599 9.925 ( -11.580 -0.122 -1.803) 11.720 10.086 ( -13.531 -12.925 -8.329) 20.482 10.917 ( 13.076 12.876 11.681) 21.754 11.097 ( 4.321 5.070 5.859) 8.872 11.151 ( 3.331 -3.474 7.639) 9.029 11.307 ( -2.230 -10.423 5.636) 12.057 11.739 ( -3.322 6.557 -14.604) 16.350 11.817 ( -0.085 1.082 -17.511) 17.544 12.131 ( -10.019 -1.651 -8.532) 13.263 12.215 ( -8.648 -8.121 -10.135) 15.603 13.237 ( -1.292 4.539 1.484) 4.947 13.319 ( -2.856 -3.321 -0.069) 4.381 13.425 ( -2.427 4.333 -2.500) 5.560 13.509 ( -5.310 -2.341 -6.304) 8.568 13.927 ( 2.233 11.263 4.404) 12.297 14.132 ( 0.491 5.167 -3.446) 6.230 14.184 ( 3.359 1.220 6.304) 7.246 14.395 ( 3.741 -4.675 -1.482) 6.168 14.804 ( 7.050 16.822 1.030) 18.268 14.999 ( 5.554 6.546 -5.442) 10.164 15.331 ( 2.803 -22.775 3.218) 23.171 15.406 ( 5.082 -18.405 1.705) 19.170 15.954 ( 2.052 30.147 4.896) 30.610 16.231 ( -1.721 12.612 -6.244) 14.178 16.810 ( -1.541 -9.834 -0.081) 9.955 17.030 ( -4.912 -21.749 -7.986) 23.684 17.724 ( 17.602 2.640 17.688) 25.093 17.858 ( 13.919 -10.488 14.676) 22.784 18.286 ( 5.877 4.783 -3.583) 8.382 18.361 ( 9.805 1.719 -3.850) 10.673 18.511 ( 5.071 13.335 0.607) 14.279 18.548 ( -4.066 7.102 3.064) 8.739 18.850 ( 4.236 -18.713 8.189) 20.861 18.873 ( 2.843 -17.398 5.639) 18.508 21.167 ( -9.993 8.381 -4.949) 13.950 21.218 ( -10.808 6.835 -6.964) 14.561 21.239 ( -9.162 0.283 -3.452) 9.794 21.314 ( -9.470 -2.625 -6.168) 11.602 ======================= Grid point 283 (100/120) ======================= q-point: ( 0.44 0.43 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.679 ( 2.856 8.167 0.990) 8.708 2.739 ( -1.831 5.065 -1.441) 5.575 2.845 ( -1.284 -5.027 3.439) 6.224 2.872 ( -3.240 -5.381 3.046) 6.981 3.177 ( 5.535 2.195 -2.069) 6.304 3.230 ( 2.032 -2.101 -0.550) 2.974 3.336 ( -5.701 -2.380 -6.944) 9.295 3.358 ( -6.025 -3.610 -5.758) 9.082 3.977 ( 3.481 6.792 -0.012) 7.632 3.997 ( 2.268 6.280 -0.438) 6.691 4.186 ( -0.644 -9.642 1.756) 9.822 4.206 ( -1.969 -10.023 1.065) 10.270 8.390 ( 13.120 16.700 8.835) 23.002 8.468 ( 16.060 12.898 5.237) 21.254 8.512 ( 8.374 15.695 8.769) 19.833 8.709 ( 3.857 -1.089 6.963) 8.034 8.851 ( -0.480 9.378 0.090) 9.391 8.862 ( -2.148 0.404 -0.388) 2.220 9.015 ( -13.354 -2.269 0.787) 13.568 9.046 ( -11.789 -11.500 3.144) 16.767 9.391 ( 5.997 3.284 -1.529) 7.006 9.573 ( -6.595 -3.876 -6.856) 10.273 9.743 ( -0.474 -19.954 -1.218) 19.997 9.848 ( -8.054 -19.370 -5.874) 21.784 11.129 ( 4.555 9.584 9.078) 13.965 11.161 ( 0.644 5.303 8.095) 9.699 11.195 ( 3.831 1.156 9.027) 9.874 11.277 ( -2.379 -3.950 8.753) 9.894 11.774 ( 5.905 5.943 -12.678) 15.197 11.855 ( 2.063 3.106 -17.106) 17.507 11.979 ( -3.682 -5.686 -11.069) 12.977 12.060 ( -7.163 -8.612 -12.570) 16.837 13.233 ( 2.494 1.459 -2.446) 3.786 13.268 ( 0.006 -1.935 -3.644) 4.126 13.336 ( -5.196 0.779 -5.214) 7.402 13.365 ( -7.314 -1.722 -7.189) 10.399 14.001 ( 4.506 18.190 6.305) 19.772 14.091 ( -3.614 18.645 3.362) 19.288 14.312 ( 6.673 -7.659 5.125) 11.377 14.411 ( -2.238 -7.199 2.083) 7.821 14.960 ( 6.651 12.801 1.876) 14.547 15.049 ( -1.307 10.115 -0.647) 10.219 15.406 ( 3.874 -25.641 -0.706) 25.941 15.457 ( -0.360 -23.632 -1.414) 23.677 16.055 ( 6.808 35.985 -1.913) 36.674 16.179 ( -4.034 32.557 -7.674) 33.691 16.804 ( 1.935 -32.270 -0.254) 32.329 16.901 ( -6.508 -32.930 -4.913) 33.925 18.088 ( 16.231 3.778 14.738) 22.247 18.138 ( 11.986 -0.113 12.315) 17.186 18.309 ( -3.726 5.527 4.926) 8.289 18.385 ( -10.625 3.567 9.624) 14.773 18.527 ( 4.916 10.469 0.395) 11.572 18.574 ( 0.452 11.263 1.563) 11.380 18.903 ( 2.039 -21.057 8.939) 22.966 18.926 ( 0.648 -20.439 8.365) 22.094 21.021 ( -3.311 8.987 -9.165) 13.256 21.042 ( -5.219 8.857 -10.025) 14.359 21.116 ( -2.224 -1.191 -6.872) 7.320 21.152 ( -5.366 -2.371 -8.234) 10.110 ======================= Grid point 315 (101/120) ======================= q-point: ( 0.00 0.00 -0.50) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.815 ( 0.000 0.000 -8.766) 8.766 2.815 ( 0.000 0.000 8.766) 8.766 2.998 ( 0.000 0.000 -21.345) 21.345 2.998 ( 0.000 0.000 21.345) 21.345 3.002 ( 0.000 0.000 -11.780) 11.780 3.002 ( 0.000 0.000 11.780) 11.780 3.848 ( 0.000 0.000 -1.421) 1.421 3.848 ( 0.000 0.000 1.421) 1.421 3.858 ( 0.000 0.000 -1.261) 1.261 3.858 ( 0.000 0.000 1.261) 1.261 4.457 ( 0.000 0.000 -8.789) 8.789 4.457 ( 0.000 0.000 8.789) 8.789 7.220 ( 0.000 0.000 -19.809) 19.809 7.220 ( 0.000 0.000 19.809) 19.809 7.637 ( 0.000 0.000 -2.026) 2.026 7.637 ( 0.000 0.000 2.026) 2.026 9.011 ( 0.000 0.000 -14.941) 14.941 9.011 ( 0.000 0.000 14.941) 14.941 9.098 ( 0.000 0.000 -13.422) 13.422 9.098 ( 0.000 0.000 13.422) 13.422 9.712 ( 0.000 0.000 -1.977) 1.977 9.712 ( 0.000 0.000 1.977) 1.977 10.112 ( 0.000 0.000 -29.111) 29.111 10.112 ( 0.000 0.000 29.111) 29.111 10.301 ( 0.000 0.000 -7.943) 7.943 10.301 ( 0.000 0.000 7.943) 7.943 11.778 ( 0.000 0.000 -25.229) 25.229 11.778 ( 0.000 0.000 25.229) 25.229 11.919 ( 0.000 0.000 -2.422) 2.422 11.919 ( 0.000 0.000 2.422) 2.422 13.084 ( 0.000 0.000 -6.389) 6.389 13.084 ( 0.000 0.000 6.389) 6.389 13.173 ( 0.000 0.000 -6.957) 6.957 13.173 ( 0.000 0.000 6.957) 6.957 13.431 ( 0.000 0.000 -7.165) 7.165 13.431 ( 0.000 0.000 7.165) 7.165 13.684 ( 0.000 0.000 -9.821) 9.821 13.684 ( 0.000 0.000 9.821) 9.821 14.364 ( 0.000 0.000 -12.099) 12.099 14.364 ( 0.000 0.000 12.099) 12.099 14.600 ( 0.000 0.000 -21.425) 21.425 14.600 ( 0.000 0.000 21.425) 21.425 15.053 ( 0.000 0.000 -12.805) 12.805 15.053 ( 0.000 0.000 12.805) 12.805 15.736 ( 0.000 0.000 -25.873) 25.873 15.736 ( 0.000 0.000 25.873) 25.873 16.591 ( 0.000 0.000 -30.199) 30.199 16.591 ( 0.000 0.000 30.199) 30.199 17.194 ( 0.000 0.000 -31.207) 31.207 17.194 ( 0.000 0.000 31.207) 31.207 18.450 ( 0.000 0.000 -18.876) 18.876 18.450 ( 0.000 0.000 18.876) 18.876 18.819 ( 0.000 0.000 -3.464) 3.464 18.819 ( 0.000 0.000 3.464) 3.464 19.126 ( 0.000 0.000 -5.036) 5.036 19.126 ( 0.000 0.000 5.036) 5.036 21.392 ( 0.000 0.000 -12.242) 12.242 21.392 ( 0.000 0.000 12.242) 12.242 21.586 ( 0.000 0.000 -6.802) 6.802 21.586 ( 0.000 0.000 6.802) 6.802 ======================= Grid point 317 (102/120) ======================= q-point: ( 0.11 0.00 -0.50) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.674 ( -7.870 0.000 -5.333) 9.507 2.674 ( -7.870 0.000 5.333) 9.507 3.047 ( 4.159 0.000 -11.032) 11.790 3.047 ( 4.159 0.000 11.032) 11.790 3.176 ( 9.627 0.000 -9.314) 13.394 3.176 ( 9.627 0.000 9.314) 13.394 3.778 ( -5.178 0.000 -0.699) 5.225 3.778 ( -5.178 0.000 0.699) 5.225 3.806 ( -4.850 0.000 -1.189) 4.994 3.806 ( -4.850 0.000 1.189) 4.994 4.486 ( 2.780 0.000 -7.071) 7.598 4.486 ( 2.780 0.000 7.071) 7.598 7.272 ( 4.394 0.000 -19.713) 20.197 7.272 ( 4.394 0.000 19.713) 20.197 7.708 ( 6.351 0.000 -4.737) 7.923 7.708 ( 6.351 0.000 4.737) 7.923 8.965 ( -10.701 0.000 -14.539) 18.053 8.965 ( -10.701 0.000 14.539) 18.053 9.100 ( 8.268 0.000 -13.706) 16.007 9.100 ( 8.268 0.000 13.706) 16.007 9.773 ( 5.516 0.000 -8.451) 10.092 9.773 ( 5.516 0.000 8.451) 10.092 10.126 ( 1.465 0.000 -27.636) 27.675 10.126 ( 1.465 0.000 27.636) 27.675 10.445 ( 11.810 0.000 -17.878) 21.427 10.445 ( 11.810 0.000 17.878) 21.427 11.592 ( -16.280 0.000 -21.403) 26.891 11.592 ( -16.280 0.000 21.403) 26.891 11.908 ( -1.081 0.000 -0.808) 1.350 11.908 ( -1.081 0.000 0.808) 1.350 13.035 ( -11.287 0.000 -8.609) 14.196 13.035 ( -11.287 0.000 8.609) 14.196 13.131 ( 3.923 0.000 -8.896) 9.723 13.131 ( 3.923 0.000 8.896) 9.723 13.368 ( -4.878 0.000 -9.752) 10.904 13.368 ( -4.878 0.000 9.752) 10.904 13.670 ( -1.720 0.000 -10.243) 10.386 13.670 ( -1.720 0.000 10.243) 10.386 14.322 ( -5.658 0.000 -11.009) 12.378 14.322 ( -5.658 0.000 11.009) 12.378 14.738 ( 10.428 0.000 -18.713) 21.422 14.738 ( 10.428 0.000 18.713) 21.422 15.157 ( 11.136 0.000 -14.631) 18.387 15.157 ( 11.136 0.000 14.631) 18.387 15.593 ( -9.713 0.000 -23.776) 25.683 15.593 ( -9.713 0.000 23.776) 25.683 16.799 ( 16.759 0.000 -29.584) 34.001 16.799 ( 16.759 0.000 29.584) 34.001 17.255 ( 5.566 0.000 -31.118) 31.612 17.255 ( 5.566 0.000 31.118) 31.612 18.403 ( -3.875 0.000 -18.378) 18.782 18.403 ( -3.875 0.000 18.378) 18.782 18.953 ( 11.606 0.000 -2.307) 11.833 18.953 ( 11.606 0.000 2.307) 11.833 19.143 ( 1.646 0.000 -4.841) 5.113 19.143 ( 1.646 0.000 4.841) 5.113 21.261 ( -12.210 0.000 -11.572) 16.822 21.261 ( -12.210 0.000 11.572) 16.822 21.522 ( -5.943 0.000 -6.862) 9.078 21.522 ( -5.943 0.000 6.862) 9.078 ======================= Grid point 319 (103/120) ======================= q-point: ( 0.22 0.00 -0.50) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.531 ( -5.945 0.000 -9.849) 11.505 2.531 ( -5.945 0.000 9.850) 11.505 3.163 ( 6.464 0.000 -9.273) 11.304 3.163 ( 6.464 0.000 9.273) 11.304 3.255 ( -2.842 0.000 -7.428) 7.954 3.255 ( -2.842 0.000 7.428) 7.954 3.670 ( -7.745 0.000 -0.576) 7.767 3.670 ( -7.745 0.000 0.576) 7.767 3.714 ( -0.428 0.000 -3.383) 3.410 3.714 ( -0.428 0.000 3.383) 3.410 4.585 ( 6.967 0.000 -3.748) 7.912 4.585 ( 6.967 0.000 3.748) 7.912 7.369 ( 4.239 0.000 -18.067) 18.557 7.369 ( 4.239 0.000 18.067) 18.557 7.873 ( 8.646 0.000 -11.205) 14.153 7.873 ( 8.646 0.000 11.205) 14.153 8.727 ( -11.040 0.000 -10.297) 15.097 8.727 ( -11.040 0.000 10.297) 15.097 9.331 ( 12.867 0.000 -11.692) 17.386 9.331 ( 12.867 0.000 11.692) 17.386 9.931 ( 9.341 0.000 -16.087) 18.602 9.931 ( 9.341 0.000 16.087) 18.602 10.181 ( 3.813 0.000 -22.787) 23.104 10.181 ( 3.813 0.000 22.787) 23.104 10.704 ( 11.438 0.000 -24.128) 26.702 10.704 ( 11.438 0.000 24.128) 26.702 11.182 ( -21.091 0.000 -12.798) 24.671 11.182 ( -21.091 0.000 12.798) 24.671 11.867 ( -3.061 0.000 -2.460) 3.927 11.867 ( -3.061 0.000 2.460) 3.927 12.785 ( -11.170 0.000 -7.980) 13.728 12.785 ( -11.170 0.000 7.980) 13.728 13.175 ( -2.855 0.000 -5.654) 6.334 13.175 ( -2.855 0.000 5.654) 6.334 13.321 ( 3.951 0.000 -9.465) 10.256 13.321 ( 3.951 0.000 9.465) 10.256 13.602 ( -4.936 0.000 -8.920) 10.194 13.602 ( -4.936 0.000 8.920) 10.194 14.135 ( -10.438 0.000 -6.238) 12.160 14.135 ( -10.438 0.000 6.238) 12.160 14.845 ( -4.062 0.000 -15.262) 15.794 14.845 ( -4.062 0.000 15.262) 15.794 15.505 ( 20.624 0.000 -16.172) 26.209 15.505 ( 20.624 0.000 16.172) 26.209 15.518 ( 5.445 0.000 -13.734) 14.774 15.518 ( 5.445 0.000 13.734) 14.774 17.188 ( 19.093 0.000 -26.287) 32.489 17.188 ( 19.093 0.000 26.287) 32.489 17.395 ( 6.356 0.000 -30.755) 31.405 17.395 ( 6.356 0.000 30.755) 31.405 18.328 ( -1.855 0.000 -15.861) 15.970 18.328 ( -1.855 0.000 15.861) 15.970 19.193 ( 3.074 0.000 -4.277) 5.267 19.193 ( 3.074 0.000 4.277) 5.267 19.242 ( 14.675 0.000 -1.975) 14.808 19.242 ( 14.675 0.000 1.975) 14.808 20.905 ( -21.201 0.000 -10.443) 23.634 20.905 ( -21.201 0.000 10.443) 23.634 21.349 ( -10.217 0.000 -6.828) 12.289 21.349 ( -10.217 0.000 6.828) 12.289 ======================= Grid point 321 (104/120) ======================= q-point: ( 0.33 0.00 -0.50) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.419 ( -4.785 0.000 -10.084) 11.162 2.419 ( -4.785 0.000 10.084) 11.162 3.140 ( -5.962 0.000 -5.874) 8.370 3.140 ( -5.962 0.000 5.874) 8.370 3.293 ( 5.315 0.000 -7.895) 9.517 3.293 ( 5.315 0.000 7.895) 9.517 3.510 ( -6.691 0.000 -2.008) 6.986 3.510 ( -6.691 0.000 2.008) 6.986 3.710 ( -0.639 0.000 -3.347) 3.408 3.710 ( -0.639 0.000 3.347) 3.408 4.758 ( 8.543 0.000 -0.720) 8.573 4.758 ( 8.543 0.000 0.720) 8.573 7.434 ( 1.965 0.000 -12.963) 13.111 7.434 ( 1.965 0.000 12.963) 13.111 8.037 ( 6.305 0.000 -19.317) 20.320 8.037 ( 6.305 0.000 19.317) 20.320 8.530 ( -7.403 0.000 -5.532) 9.241 8.530 ( -7.403 0.000 5.532) 9.241 9.596 ( 11.961 0.000 -10.798) 16.114 9.596 ( 11.961 0.000 10.798) 16.114 10.143 ( 10.263 0.000 -19.265) 21.828 10.143 ( 10.263 0.000 19.265) 21.828 10.256 ( 1.220 0.000 -15.488) 15.536 10.256 ( 1.220 0.000 15.488) 15.536 10.793 ( -13.813 0.000 -6.525) 15.277 10.793 ( -13.813 0.000 6.525) 15.277 10.885 ( 5.517 0.000 -24.588) 25.199 10.885 ( 5.517 0.000 24.588) 25.199 11.784 ( -4.449 0.000 -2.859) 5.289 11.784 ( -4.449 0.000 2.859) 5.289 12.606 ( -5.738 0.000 -5.148) 7.709 12.606 ( -5.738 0.000 5.148) 7.709 13.073 ( -5.050 0.000 -3.206) 5.982 13.073 ( -5.050 0.000 3.206) 5.982 13.471 ( -6.904 0.000 -10.931) 12.929 13.471 ( -6.904 0.000 10.931) 12.929 13.481 ( 9.581 0.000 -9.520) 13.507 13.481 ( 9.581 0.000 9.520) 13.507 13.951 ( -6.415 0.000 -2.286) 6.810 13.951 ( -6.415 0.000 2.286) 6.810 14.631 ( -13.216 0.000 -16.651) 21.259 14.631 ( -13.216 0.000 16.651) 21.259 15.727 ( 10.932 0.000 -8.708) 13.976 15.727 ( 10.932 0.000 8.708) 13.976 15.955 ( 21.177 0.000 -15.095) 26.006 15.955 ( 21.177 0.000 15.095) 26.006 17.436 ( -3.626 0.000 -26.277) 26.526 17.436 ( -3.626 0.000 26.277) 26.526 17.552 ( 14.842 0.000 -18.851) 23.993 17.552 ( 14.842 0.000 18.851) 23.993 18.404 ( 10.026 0.000 -13.467) 16.789 18.404 ( 10.026 0.000 13.467) 16.789 19.267 ( 3.733 0.000 -3.267) 4.961 19.267 ( 3.733 0.000 3.267) 4.961 19.520 ( 11.280 0.000 -9.875) 14.992 19.520 ( 11.280 0.000 9.875) 14.992 20.415 ( -24.517 0.000 -11.361) 27.022 20.415 ( -24.517 0.000 11.361) 27.022 21.122 ( -10.677 0.000 -5.871) 12.184 21.122 ( -10.677 0.000 5.871) 12.184 ======================= Grid point 323 (105/120) ======================= q-point: ( 0.44 0.00 -0.50) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( -2.100 0.000 -4.381) 4.859 2.343 ( -2.100 0.000 4.381) 4.859 3.051 ( -2.241 0.000 -2.369) 3.261 3.051 ( -2.241 0.000 2.369) 3.261 3.343 ( -0.602 0.000 -4.382) 4.423 3.343 ( -0.602 0.000 4.382) 4.423 3.438 ( -0.013 0.000 -2.515) 2.515 3.438 ( -0.013 0.000 2.515) 2.515 3.693 ( -0.627 0.000 -1.289) 1.434 3.693 ( -0.627 0.000 1.289) 1.434 4.895 ( 3.715 0.000 -0.277) 3.725 4.895 ( 3.715 0.000 0.277) 3.725 7.457 ( 0.435 0.000 -4.713) 4.733 7.457 ( 0.435 0.000 4.713) 4.733 8.116 ( 1.390 0.000 -13.430) 13.501 8.116 ( 1.390 0.000 13.430) 13.501 8.434 ( -1.851 0.000 -7.614) 7.836 8.434 ( -1.851 0.000 7.614) 7.836 9.824 ( 9.444 0.000 -7.340) 11.961 9.824 ( 9.444 0.000 7.340) 11.961 10.150 ( -8.955 0.000 -6.565) 11.104 10.150 ( -8.955 0.000 6.565) 11.104 10.317 ( 5.180 0.000 -10.280) 11.511 10.317 ( 5.180 0.000 10.280) 11.511 10.672 ( -0.167 0.000 -4.362) 4.365 10.672 ( -0.167 0.000 4.362) 4.365 10.941 ( 0.586 0.000 -12.309) 12.323 10.941 ( 0.586 0.000 12.309) 12.323 11.709 ( -2.129 0.000 -0.816) 2.280 11.709 ( -2.129 0.000 0.816) 2.280 12.537 ( -1.355 0.000 -1.937) 2.363 12.537 ( -1.355 0.000 1.937) 2.363 12.995 ( -2.088 0.000 -1.443) 2.539 12.995 ( -2.088 0.000 1.443) 2.539 13.355 ( -3.290 0.000 -5.622) 6.514 13.355 ( -3.290 0.000 5.622) 6.514 13.671 ( 6.775 0.000 -6.537) 9.414 13.671 ( 6.775 0.000 6.537) 9.414 13.867 ( -1.881 0.000 -1.656) 2.507 13.867 ( -1.881 0.000 1.656) 2.507 14.384 ( -8.274 0.000 -9.157) 12.342 14.384 ( -8.274 0.000 9.157) 12.342 15.895 ( 4.371 0.000 -3.169) 5.399 15.895 ( 4.371 0.000 3.169) 5.399 16.320 ( 11.376 0.000 -8.582) 14.250 16.320 ( 11.376 0.000 8.582) 14.250 17.298 ( -6.339 0.000 -12.377) 13.905 17.298 ( -6.339 0.000 12.377) 13.905 17.773 ( 5.669 0.000 -6.961) 8.978 17.773 ( 5.669 0.000 6.961) 8.978 18.665 ( 10.603 0.000 -7.956) 13.256 18.665 ( 10.603 0.000 7.956) 13.256 19.332 ( 1.992 0.000 -1.364) 2.414 19.332 ( 1.992 0.000 1.364) 2.414 19.700 ( 6.179 0.000 -21.297) 22.175 19.700 ( 6.179 0.000 21.297) 22.175 19.957 ( -16.577 0.000 -18.634) 24.940 19.957 ( -16.577 0.000 18.634) 24.940 20.948 ( -4.923 0.000 -2.561) 5.550 20.948 ( -4.923 0.000 2.561) 5.550 ======================= Grid point 333 (106/120) ======================= q-point: ( 0.00 0.14 -0.50) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.753 ( 0.000 -5.070 -0.943) 5.157 2.753 ( 0.000 -5.070 0.943) 5.157 3.007 ( 0.000 4.178 -15.510) 16.063 3.007 ( 0.000 4.178 15.510) 16.063 3.115 ( 0.000 7.194 -0.043) 7.194 3.115 ( 0.000 7.194 0.043) 7.194 3.738 ( 0.000 -8.292 -0.149) 8.294 3.738 ( 0.000 -8.292 0.149) 8.294 3.890 ( 0.000 0.160 -0.343) 0.378 3.890 ( 0.000 0.160 0.343) 0.378 4.392 ( 0.000 -6.094 -8.329) 10.320 4.392 ( 0.000 -6.094 8.329) 10.320 7.222 ( 0.000 0.192 -15.317) 15.318 7.222 ( 0.000 0.192 15.317) 15.318 7.706 ( 0.000 6.325 -0.119) 6.326 7.706 ( 0.000 6.325 0.119) 6.326 8.989 ( 0.000 -2.166 -12.809) 12.991 8.989 ( 0.000 -2.166 12.809) 12.991 9.098 ( 0.000 0.194 -14.452) 14.454 9.098 ( 0.000 0.194 14.452) 14.454 9.756 ( 0.000 4.212 -2.657) 4.980 9.756 ( 0.000 4.212 2.657) 4.980 10.052 ( 0.000 -2.773 -16.856) 17.083 10.052 ( 0.000 -2.773 16.856) 17.083 10.436 ( 0.000 10.502 -0.103) 10.503 10.436 ( 0.000 10.502 0.103) 10.503 11.729 ( 0.000 -4.908 -24.389) 24.878 11.729 ( 0.000 -4.908 24.389) 24.878 11.899 ( 0.000 -1.733 -1.367) 2.207 11.899 ( 0.000 -1.733 1.367) 2.207 13.128 ( 0.000 2.462 -8.157) 8.520 13.128 ( 0.000 2.462 8.157) 8.520 13.222 ( 0.000 1.181 -3.931) 4.105 13.222 ( 0.000 1.181 3.931) 4.105 13.416 ( 0.000 3.918 -2.722) 4.771 13.416 ( 0.000 3.918 2.722) 4.771 13.572 ( 0.000 -10.925 -7.902) 13.483 13.572 ( 0.000 -10.925 7.902) 13.483 14.376 ( 0.000 1.565 -12.903) 12.997 14.376 ( 0.000 1.565 12.903) 12.997 14.564 ( 0.000 -2.124 -17.596) 17.724 14.564 ( 0.000 -2.124 17.596) 17.724 15.135 ( 0.000 6.121 -14.252) 15.511 15.135 ( 0.000 6.121 14.252) 15.511 15.875 ( 0.000 13.573 -25.473) 28.863 15.875 ( 0.000 13.573 25.473) 28.863 16.584 ( 0.000 -0.631 -26.443) 26.450 16.584 ( 0.000 -0.631 26.443) 26.450 17.208 ( 0.000 1.589 -27.349) 27.395 17.208 ( 0.000 1.589 27.349) 27.395 18.396 ( 0.000 -6.035 -17.951) 18.938 18.396 ( 0.000 -6.035 17.951) 18.938 18.662 ( 0.000 -15.544 -6.796) 16.964 18.662 ( 0.000 -15.544 6.796) 16.964 19.042 ( 0.000 -7.124 -2.749) 7.636 19.042 ( 0.000 -7.124 2.749) 7.636 21.470 ( 0.000 7.029 -10.706) 12.807 21.470 ( 0.000 7.029 10.706) 12.807 21.618 ( 0.000 3.043 -6.093) 6.810 21.618 ( 0.000 3.043 6.093) 6.810 ======================= Grid point 335 (107/120) ======================= q-point: ( 0.11 0.14 -0.50) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( -6.131 -0.842 -4.400) 7.593 2.666 ( -6.131 -0.842 4.400) 7.593 3.017 ( 2.476 -0.554 -11.036) 11.324 3.017 ( 2.476 -0.554 11.036) 11.324 3.267 ( 9.028 7.140 -5.130) 12.602 3.267 ( 9.028 7.140 5.130) 12.602 3.681 ( -4.210 -7.934 -0.426) 8.992 3.681 ( -4.210 -7.934 0.426) 8.992 3.831 ( -5.222 0.370 -0.692) 5.281 3.831 ( -5.222 0.370 0.692) 5.281 4.415 ( 2.253 -6.596 -6.731) 9.689 4.415 ( 2.253 -6.596 6.731) 9.689 7.292 ( 6.222 1.745 -15.303) 16.611 7.292 ( 6.222 1.745 15.303) 16.611 7.782 ( 6.579 7.056 -2.225) 9.900 7.782 ( 6.579 7.056 2.225) 9.900 8.936 ( -6.802 -2.156 -10.976) 13.091 8.936 ( -6.802 -2.156 10.976) 13.091 9.118 ( 4.858 1.065 -16.518) 17.250 9.118 ( 4.858 1.065 16.518) 17.250 9.815 ( 4.680 4.055 -6.815) 9.208 9.815 ( 4.680 4.055 6.815) 9.208 10.081 ( 3.246 -3.206 -21.435) 21.915 10.081 ( 3.246 -3.206 21.435) 21.915 10.520 ( 6.834 6.578 -18.636) 20.912 10.520 ( 6.834 6.578 18.636) 20.912 11.574 ( -13.225 -1.880 -20.560) 24.518 11.574 ( -13.225 -1.880 20.560) 24.518 11.883 ( -1.701 -2.553 -0.867) 3.188 11.883 ( -1.701 -2.553 0.867) 3.188 12.961 ( -12.082 -3.872 -6.974) 14.478 12.961 ( -12.082 -3.872 6.974) 14.478 13.259 ( 0.216 -3.476 -9.642) 10.251 13.259 ( 0.216 -3.476 9.642) 10.251 13.360 ( -1.613 12.518 -7.750) 14.811 13.360 ( -1.613 12.518 7.750) 14.811 13.647 ( 3.124 -3.281 -7.127) 8.445 13.647 ( 3.124 -3.281 7.127) 8.445 14.307 ( -6.622 -0.726 -13.390) 14.955 14.307 ( -6.622 -0.726 13.390) 14.955 14.641 ( 7.406 -6.784 -16.266) 19.117 14.641 ( 7.406 -6.784 16.266) 19.117 15.269 ( 11.784 7.644 -15.214) 20.706 15.269 ( 11.784 7.644 15.214) 20.706 15.716 ( -11.160 12.142 -23.904) 29.041 15.716 ( -11.160 12.142 23.904) 29.041 16.784 ( 15.381 -1.416 -24.805) 29.221 16.784 ( 15.381 -1.416 24.805) 29.221 17.284 ( 7.168 2.990 -25.561) 26.715 17.284 ( 7.168 2.990 25.561) 26.715 18.362 ( -2.883 -4.529 -17.321) 18.134 18.362 ( -2.883 -4.529 17.321) 18.134 18.747 ( 6.673 -18.575 -5.939) 20.612 18.747 ( 6.673 -18.575 5.939) 20.612 19.092 ( 5.316 -5.652 -2.394) 8.120 19.092 ( 5.316 -5.652 2.394) 8.120 21.349 ( -11.301 7.873 -9.967) 17.001 21.349 ( -11.301 7.873 9.967) 17.001 21.554 ( -5.957 2.997 -6.038) 8.996 21.554 ( -5.957 2.997 6.038) 8.996 ======================= Grid point 337 (108/120) ======================= q-point: ( 0.22 0.14 -0.50) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.547 ( -5.049 1.693 -8.690) 10.192 2.547 ( -5.049 1.693 8.690) 10.192 3.087 ( 3.087 -4.209 -5.445) 7.543 3.087 ( 3.087 -4.209 5.445) 7.543 3.341 ( -2.220 5.141 -5.237) 7.667 3.341 ( -2.220 5.141 5.237) 7.667 3.626 ( -3.094 -4.445 -3.185) 6.283 3.626 ( -3.094 -4.445 3.185) 6.283 3.719 ( -2.545 0.579 -2.271) 3.459 3.719 ( -2.545 0.579 2.271) 3.459 4.496 ( 5.794 -8.175 -3.664) 10.669 4.496 ( 5.794 -8.175 3.664) 10.669 7.447 ( 7.617 6.894 -14.735) 17.963 7.447 ( 7.617 6.894 14.735) 17.963 7.943 ( 8.171 7.294 -8.351) 13.774 7.943 ( 8.171 7.294 8.351) 13.774 8.753 ( -9.477 2.752 -9.157) 13.463 8.753 ( -9.477 2.752 9.157) 13.463 9.292 ( 10.612 -3.989 -14.538) 18.436 9.292 ( 10.612 -3.989 14.538) 18.436 9.912 ( 4.463 -2.060 -13.831) 14.679 9.912 ( 4.463 -2.060 13.831) 14.679 10.205 ( 8.040 1.426 -18.555) 20.272 10.205 ( 8.040 1.426 18.555) 20.272 10.650 ( 3.974 -2.483 -21.375) 21.882 10.650 ( 3.974 -2.483 21.375) 21.882 11.272 ( -13.204 7.072 -10.401) 18.236 11.272 ( -13.204 7.072 10.401) 18.236 11.821 ( -4.212 -4.616 -2.548) 6.748 11.821 ( -4.212 -4.616 2.548) 6.748 12.698 ( -11.895 -7.533 -6.506) 15.510 12.698 ( -11.895 -7.533 6.506) 15.510 13.225 ( -2.624 -1.126 -8.334) 8.810 13.225 ( -2.624 -1.126 8.334) 8.810 13.368 ( 1.148 9.840 -8.339) 12.950 13.368 ( 1.148 9.840 8.339) 12.950 13.668 ( -0.382 6.504 -1.288) 6.641 13.668 ( -0.382 6.504 1.288) 6.641 14.103 ( -11.211 -2.049 -8.352) 14.130 14.103 ( -11.211 -2.049 8.352) 14.130 14.851 ( 8.976 -4.012 -13.340) 16.572 14.851 ( 8.976 -4.012 13.340) 16.572 15.412 ( -2.282 4.914 -15.231) 16.166 15.412 ( -2.282 4.914 15.231) 16.166 15.681 ( 13.346 5.200 -12.050) 18.718 15.681 ( 13.346 5.200 12.050) 18.718 17.117 ( 15.175 -5.224 -18.926) 24.814 17.117 ( 15.175 -5.224 18.926) 24.814 17.490 ( 11.637 7.808 -20.838) 25.112 17.490 ( 11.637 7.808 20.838) 25.112 18.300 ( -1.974 -2.867 -14.661) 15.069 18.300 ( -1.974 -2.867 14.661) 15.069 18.871 ( 4.442 -22.600 -4.358) 23.441 18.871 ( 4.442 -22.600 4.358) 23.441 19.276 ( 11.629 -4.417 -0.390) 12.446 19.276 ( 11.629 -4.417 0.390) 12.446 21.022 ( -19.180 10.484 -8.506) 23.456 21.022 ( -19.180 10.484 8.506) 23.456 21.381 ( -10.160 2.961 -6.032) 12.181 21.381 ( -10.160 2.961 6.032) 12.181 ======================= Grid point 339 (109/120) ======================= q-point: ( 0.33 0.14 -0.50) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.455 ( -3.782 3.643 -9.054) 10.466 2.455 ( -3.782 3.643 9.054) 10.466 3.090 ( -2.935 -3.993 -4.848) 6.932 3.090 ( -2.935 -3.993 4.848) 6.932 3.307 ( 0.681 0.413 -8.756) 8.792 3.307 ( 0.681 0.413 8.756) 8.792 3.495 ( -6.787 -1.679 -2.469) 7.415 3.495 ( -6.787 -1.679 2.469) 7.415 3.733 ( 1.174 2.337 -2.379) 3.535 3.733 ( 1.174 2.337 2.379) 3.535 4.642 ( 7.259 -10.761 -0.973) 13.017 4.642 ( 7.259 -10.761 0.973) 13.017 7.578 ( 4.623 13.610 -11.324) 18.299 7.578 ( 4.623 13.610 11.324) 18.299 8.102 ( 6.527 6.757 -17.593) 19.944 8.102 ( 6.527 6.757 17.593) 19.944 8.571 ( -7.412 4.399 -2.531) 8.982 8.571 ( -7.412 4.399 2.531) 8.982 9.511 ( 9.474 -8.171 -11.587) 17.053 9.511 ( 9.474 -8.171 11.587) 17.053 10.009 ( 4.051 -10.817 -16.937) 20.501 10.009 ( 4.051 -10.817 16.937) 20.501 10.323 ( 1.079 0.816 -8.141) 8.252 10.323 ( 1.079 0.816 8.141) 8.252 10.695 ( 2.941 0.627 -0.502) 3.048 10.695 ( 2.941 0.627 0.502) 3.048 11.095 ( -4.115 12.732 -12.907) 18.591 11.095 ( -4.115 12.732 12.907) 18.591 11.724 ( -4.486 -5.764 -2.519) 7.727 11.724 ( -4.486 -5.764 2.519) 7.727 12.495 ( -7.299 -10.035 -4.558) 13.219 12.495 ( -7.299 -10.035 4.558) 13.219 13.164 ( -3.038 7.132 -2.078) 8.025 13.164 ( -3.038 7.132 2.078) 8.025 13.369 ( -1.558 -2.942 -2.730) 4.305 13.369 ( -1.558 -2.942 2.730) 4.305 13.669 ( 1.305 12.458 -7.659) 14.682 13.669 ( 1.305 12.458 7.659) 14.682 13.911 ( -6.263 -1.239 -0.251) 6.389 13.911 ( -6.263 -1.239 0.251) 6.389 14.858 ( -6.714 18.928 -11.766) 23.276 14.858 ( -6.714 18.928 11.766) 23.276 15.499 ( 10.002 -15.517 -9.459) 20.743 15.499 ( 10.002 -15.517 9.459) 20.743 15.999 ( 14.352 -1.892 -9.113) 17.106 15.999 ( 14.352 -1.892 9.113) 17.106 17.368 ( 7.542 -4.064 -15.346) 17.576 17.368 ( 7.542 -4.064 15.346) 17.576 17.701 ( 7.448 11.912 -14.916) 20.491 17.701 ( 7.448 11.912 14.916) 20.491 18.352 ( 8.442 -5.368 -12.018) 15.637 18.352 ( 8.442 -5.368 12.018) 15.637 18.931 ( 1.184 -24.128 -2.294) 24.265 18.931 ( 1.184 -24.128 2.294) 24.265 19.523 ( 11.009 -5.890 -3.679) 13.016 19.523 ( 11.009 -5.890 3.679) 13.016 20.592 ( -20.754 15.337 -7.501) 26.874 20.592 ( -20.754 15.337 7.501) 26.874 21.157 ( -10.466 3.141 -5.232) 12.115 21.157 ( -10.466 3.141 5.232) 12.115 ======================= Grid point 341 (110/120) ======================= q-point: ( 0.44 0.14 -0.50) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.396 ( -1.613 5.268 -3.971) 6.791 2.396 ( -1.613 5.268 3.971) 6.791 3.029 ( -1.848 -2.141 -2.369) 3.690 3.029 ( -1.848 -2.141 2.369) 3.690 3.331 ( 0.748 -1.848 -6.329) 6.635 3.331 ( 0.748 -1.848 6.329) 6.635 3.390 ( -2.759 -3.523 -3.828) 5.889 3.390 ( -2.759 -3.523 3.828) 5.889 3.749 ( 0.434 4.823 -1.004) 4.946 3.749 ( 0.434 4.823 1.004) 4.946 4.759 ( 3.177 -12.689 -0.190) 13.082 4.759 ( 3.177 -12.689 0.190) 13.082 7.639 ( 1.370 17.688 -4.156) 18.221 7.639 ( 1.370 17.688 4.156) 18.221 8.190 ( 1.687 7.505 -13.699) 15.711 8.190 ( 1.687 7.505 13.699) 15.711 8.470 ( -2.031 3.915 -7.159) 8.409 8.470 ( -2.031 3.915 7.159) 8.409 9.675 ( 5.754 -13.457 -5.630) 15.681 9.675 ( 5.754 -13.457 5.630) 15.681 10.000 ( -4.136 -13.007 -7.776) 15.708 10.000 ( -4.136 -13.007 7.776) 15.708 10.345 ( 2.523 -1.314 -2.422) 3.736 10.345 ( 2.523 -1.314 2.422) 3.736 10.755 ( 0.858 8.898 -4.106) 9.837 10.755 ( 0.858 8.898 4.106) 9.837 11.065 ( 0.613 10.943 -9.879) 14.755 11.065 ( 0.613 10.943 9.879) 14.755 11.653 ( -1.994 -4.908 -0.876) 5.370 11.653 ( -1.994 -4.908 0.876) 5.370 12.394 ( -2.394 -12.092 -1.652) 12.436 12.394 ( -2.394 -12.092 1.652) 12.436 13.112 ( -1.545 8.882 -0.533) 9.031 13.112 ( -1.545 8.882 0.533) 9.031 13.324 ( -1.705 -2.497 -4.053) 5.057 13.324 ( -1.705 -2.497 4.053) 5.057 13.712 ( 1.724 -1.238 -5.439) 5.839 13.712 ( 1.724 -1.238 5.439) 5.839 13.839 ( -1.233 8.715 -1.851) 8.994 13.839 ( -1.233 8.715 1.851) 8.994 14.718 ( -4.521 27.573 -5.795) 28.536 14.718 ( -4.521 27.573 5.795) 28.536 15.679 ( 5.171 -18.947 -3.915) 20.026 15.679 ( 5.171 -18.947 3.915) 20.026 16.226 ( 6.294 -10.644 -3.746) 12.920 16.226 ( 6.294 -10.644 3.746) 12.920 17.421 ( -0.581 8.602 -7.858) 11.665 17.421 ( -0.581 8.602 7.858) 11.665 17.814 ( 3.298 5.361 -5.859) 8.599 17.814 ( 3.298 5.361 5.859) 8.599 18.603 ( 12.054 -7.041 -8.921) 16.566 18.603 ( 12.054 -7.041 8.921) 16.566 18.899 ( -4.375 -26.987 -3.881) 27.613 18.899 ( -4.375 -26.987 3.881) 27.613 19.706 ( 5.762 -9.483 -4.700) 12.050 19.706 ( 5.762 -9.483 4.700) 12.050 20.231 ( -11.327 23.245 -5.325) 26.400 20.231 ( -11.327 23.245 5.325) 26.400 20.987 ( -4.750 3.500 -2.275) 6.324 20.987 ( -4.750 3.500 2.275) 6.324 ======================= Grid point 351 (111/120) ======================= q-point: ( 0.00 0.29 -0.50) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.677 ( 0.000 -1.709 -2.613) 3.123 2.677 ( 0.000 -1.709 2.613) 3.123 3.126 ( 0.000 6.988 -13.836) 15.500 3.126 ( 0.000 6.988 13.836) 15.500 3.245 ( 0.000 4.123 -3.591) 5.468 3.245 ( 0.000 4.123 3.591) 5.468 3.560 ( 0.000 -7.259 -4.808) 8.707 3.560 ( 0.000 -7.259 4.808) 8.707 3.855 ( 0.000 -3.854 -1.911) 4.301 3.855 ( 0.000 -3.854 1.911) 4.301 4.253 ( 0.000 -7.281 -6.711) 9.902 4.253 ( 0.000 -7.281 6.711) 9.902 7.226 ( 0.000 0.171 -8.142) 8.144 7.226 ( 0.000 0.171 8.142) 8.144 7.841 ( 0.000 6.411 -1.620) 6.612 7.841 ( 0.000 6.411 1.620) 6.612 8.943 ( 0.000 -2.064 -9.868) 10.081 8.943 ( 0.000 -2.064 9.868) 10.081 9.100 ( 0.000 -0.308 -9.933) 9.938 9.100 ( 0.000 -0.308 9.933) 9.938 9.859 ( 0.000 5.754 -2.111) 6.129 9.859 ( 0.000 5.754 2.111) 6.129 10.044 ( 0.000 1.578 -8.497) 8.642 10.044 ( 0.000 1.578 8.497) 8.642 10.668 ( 0.000 13.471 -3.893) 14.023 10.668 ( 0.000 13.471 3.893) 14.023 11.585 ( 0.000 -10.160 -23.589) 25.684 11.585 ( 0.000 -10.160 23.589) 25.684 11.872 ( 0.000 -0.592 -0.031) 0.593 11.872 ( 0.000 -0.592 0.031) 0.593 13.075 ( 0.000 -7.663 -3.106) 8.268 13.075 ( 0.000 -7.663 3.106) 8.268 13.172 ( 0.000 -5.830 -0.717) 5.874 13.172 ( 0.000 -5.830 0.717) 5.874 13.352 ( 0.000 -6.756 -4.063) 7.884 13.352 ( 0.000 -6.756 4.063) 7.884 13.655 ( 0.000 15.367 -7.574) 17.132 13.655 ( 0.000 15.367 7.574) 17.132 14.406 ( 0.000 0.570 -6.931) 6.955 14.406 ( 0.000 0.570 6.931) 6.955 14.579 ( 0.000 4.859 -7.238) 8.718 14.579 ( 0.000 4.859 7.238) 8.718 15.215 ( 0.000 0.912 -12.330) 12.364 15.215 ( 0.000 0.912 12.330) 12.364 16.205 ( 0.000 17.268 -22.825) 28.621 16.205 ( 0.000 17.268 22.825) 28.621 16.588 ( 0.000 3.092 -18.605) 18.860 16.588 ( 0.000 3.092 18.605) 18.860 17.260 ( 0.000 3.596 -19.279) 19.612 17.260 ( 0.000 3.596 19.279) 19.612 18.119 ( 0.000 -24.502 -1.196) 24.531 18.119 ( 0.000 -24.502 1.196) 24.531 18.371 ( 0.000 -9.687 -1.629) 9.823 18.371 ( 0.000 -9.687 1.629) 9.823 18.897 ( 0.000 -6.931 -0.446) 6.945 18.897 ( 0.000 -6.931 0.446) 6.945 21.616 ( 0.000 6.974 -7.099) 9.952 21.616 ( 0.000 6.974 7.099) 9.952 21.688 ( 0.000 3.695 -4.104) 5.522 21.688 ( 0.000 3.695 4.104) 5.522 ======================= Grid point 353 (112/120) ======================= q-point: ( 0.11 0.29 -0.50) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.655 ( -2.142 0.411 -4.188) 4.722 2.655 ( -2.142 0.411 4.188) 4.722 3.056 ( -2.436 3.915 -8.763) 9.902 3.056 ( -2.436 3.915 8.763) 9.902 3.398 ( 9.129 2.432 -1.090) 9.510 3.398 ( 9.129 2.432 1.090) 9.510 3.507 ( -4.454 -5.812 -6.032) 9.486 3.507 ( -4.454 -5.812 6.032) 9.486 3.806 ( -4.289 -2.958 -0.963) 5.298 3.806 ( -4.289 -2.958 0.963) 5.298 4.268 ( 1.474 -7.484 -5.470) 9.387 4.268 ( 1.474 -7.484 5.470) 9.387 7.326 ( 9.263 1.539 -7.910) 12.277 7.326 ( 9.263 1.539 7.910) 12.277 7.944 ( 8.901 8.400 -0.958) 12.276 7.944 ( 8.901 8.400 0.958) 12.276 8.905 ( -2.865 -0.709 -8.707) 9.194 8.905 ( -2.865 -0.709 8.707) 9.194 9.116 ( 1.403 -1.610 -16.178) 16.318 9.116 ( 1.403 -1.610 16.178) 16.318 9.914 ( 1.601 5.536 -3.273) 6.627 9.914 ( 1.601 5.536 3.273) 6.627 10.043 ( 3.041 -0.436 -12.343) 12.720 10.043 ( 3.041 -0.436 12.343) 12.720 10.682 ( 0.847 10.190 -17.677) 20.422 10.682 ( 0.847 10.190 17.677) 20.422 11.499 ( -6.823 -6.865 -19.820) 22.057 11.499 ( -6.823 -6.865 19.820) 22.057 11.827 ( -4.058 -2.250 -1.244) 4.804 11.827 ( -4.058 -2.250 1.244) 4.804 12.874 ( -15.855 -5.532 -5.422) 17.646 12.874 ( -15.855 -5.532 5.422) 17.646 13.146 ( 1.343 -4.248 -5.971) 7.450 13.146 ( 1.343 -4.248 5.971) 7.450 13.517 ( 7.469 -7.500 -4.886) 11.658 13.517 ( 7.469 -7.500 4.886) 11.658 13.717 ( 5.500 17.841 -5.465) 19.453 13.717 ( 5.500 17.841 5.465) 19.453 14.309 ( -7.401 0.136 -11.914) 14.026 14.309 ( -7.401 0.136 11.914) 14.026 14.569 ( 0.126 1.300 -9.541) 9.629 14.569 ( 0.126 1.300 9.541) 9.629 15.344 ( 10.790 -1.125 -11.866) 16.078 15.344 ( 10.790 -1.125 11.866) 16.078 16.028 ( -12.265 18.042 -20.775) 30.125 16.028 ( -12.265 18.042 20.775) 30.125 16.766 ( 12.229 0.673 -17.689) 21.515 16.766 ( 12.229 0.673 17.689) 21.515 17.365 ( 9.946 4.932 -17.725) 20.915 17.365 ( 9.946 4.932 17.725) 20.915 18.144 ( 1.980 -21.431 -5.507) 22.216 18.144 ( 1.980 -21.431 5.507) 22.216 18.412 ( 3.247 -9.759 -5.417) 11.624 18.412 ( 3.247 -9.759 5.417) 11.624 18.943 ( 4.700 -8.620 -1.127) 9.882 18.943 ( 4.700 -8.620 1.127) 9.882 21.514 ( -9.519 8.008 -6.438) 14.007 21.514 ( -9.519 8.008 6.438) 14.007 21.621 ( -6.195 3.395 -3.805) 8.024 21.621 ( -6.195 3.395 3.805) 8.024 ======================= Grid point 355 (113/120) ======================= q-point: ( 0.22 0.29 -0.50) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.600 ( -2.701 3.674 -6.306) 7.782 2.600 ( -2.701 3.674 6.306) 7.782 3.037 ( -0.267 -0.885 -3.631) 3.747 3.037 ( -0.267 -0.885 3.631) 3.747 3.387 ( -5.497 -1.821 -9.024) 10.722 3.387 ( -5.497 -1.821 9.024) 10.722 3.527 ( -0.174 -4.321 -6.630) 7.916 3.527 ( -0.174 -4.321 6.630) 7.916 3.737 ( 0.201 1.531 -2.465) 2.909 3.737 ( 0.201 1.531 2.465) 2.909 4.319 ( 3.452 -8.732 -3.191) 9.917 4.319 ( 3.452 -8.732 3.191) 9.917 7.584 ( 14.441 6.104 -7.198) 17.251 7.584 ( 14.441 6.104 7.198) 17.251 8.147 ( 9.154 12.754 -4.085) 16.222 8.147 ( 9.154 12.754 4.085) 16.222 8.831 ( -4.664 4.745 -8.239) 10.590 8.831 ( -4.664 4.745 8.239) 10.590 9.181 ( 5.348 -7.187 -19.133) 21.126 9.181 ( 5.348 -7.187 19.133) 21.126 9.854 ( -4.870 -3.248 -7.237) 9.308 9.854 ( -4.870 -3.248 7.237) 9.308 10.188 ( 6.135 -3.218 -11.538) 13.458 10.188 ( 6.135 -3.218 11.538) 13.458 10.704 ( 2.929 8.239 -18.414) 20.385 10.704 ( 2.929 8.239 18.414) 20.385 11.377 ( -3.814 1.513 -11.957) 12.641 11.377 ( -3.814 1.513 11.957) 12.641 11.710 ( -6.811 -5.123 -2.469) 8.873 11.710 ( -6.811 -5.123 2.469) 8.873 12.534 ( -15.418 -8.545 -4.789) 18.267 12.534 ( -15.418 -8.545 4.789) 18.267 13.202 ( 3.351 0.976 -6.678) 7.535 13.202 ( 3.351 0.976 6.678) 7.535 13.532 ( -4.959 2.255 -8.403) 10.015 13.532 ( -4.959 2.255 8.403) 10.015 13.865 ( 6.580 12.321 -4.641) 14.718 13.865 ( 6.580 12.321 4.641) 14.718 14.120 ( -9.255 5.612 -10.200) 14.872 14.120 ( -9.255 5.612 10.200) 14.872 14.689 ( 11.666 -7.989 -12.429) 18.826 14.689 ( 11.666 -7.989 12.429) 18.826 15.575 ( 8.664 -3.013 -9.821) 13.439 15.575 ( 8.664 -3.013 9.821) 13.439 15.785 ( -9.098 16.057 -15.576) 24.150 15.785 ( -9.098 16.057 15.576) 24.150 17.019 ( 11.764 -5.048 -14.730) 19.515 17.019 ( 11.764 -5.048 14.730) 19.515 17.647 ( 15.894 7.103 -17.473) 24.665 17.647 ( 15.894 7.103 17.473) 24.665 18.180 ( 1.092 -12.453 -9.310) 15.587 18.180 ( 1.092 -12.453 9.310) 15.587 18.479 ( 3.082 -11.153 -8.590) 14.411 18.479 ( 3.082 -11.153 8.590) 14.411 19.097 ( 9.437 -12.665 -0.817) 15.816 19.097 ( 9.437 -12.665 0.817) 15.816 21.242 ( -15.729 10.748 -5.028) 19.703 21.242 ( -15.729 10.748 5.028) 19.703 21.444 ( -10.332 2.867 -4.070) 11.469 21.444 ( -10.332 2.867 4.070) 11.469 ======================= Grid point 357 (114/120) ======================= q-point: ( 0.33 0.29 -0.50) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.555 ( -1.495 6.278 -6.642) 9.261 2.555 ( -1.495 6.278 6.642) 9.261 3.015 ( -1.929 -3.343 -3.819) 5.429 3.015 ( -1.929 -3.343 3.819) 5.429 3.292 ( -3.229 -1.679 -11.079) 11.661 3.292 ( -3.229 -1.679 11.079) 11.661 3.437 ( -5.817 -4.431 -5.107) 8.920 3.437 ( -5.817 -4.431 5.107) 8.920 3.798 ( 3.656 4.066 -1.403) 5.645 3.798 ( 3.656 4.066 1.403) 5.645 4.404 ( 4.158 -12.100 -1.421) 12.873 4.404 ( 4.158 -12.100 1.421) 12.873 7.882 ( 12.973 14.968 -5.887) 20.663 7.882 ( 12.973 14.968 5.887) 20.663 8.304 ( 6.106 14.125 -12.489) 19.818 8.304 ( 6.106 14.125 12.489) 19.818 8.708 ( -6.568 9.583 -5.662) 12.924 8.708 ( -6.568 9.583 5.662) 12.924 9.312 ( 5.570 -11.414 -12.967) 18.150 9.312 ( 5.570 -11.414 12.967) 18.150 9.757 ( -3.970 -13.784 -8.793) 16.825 9.757 ( -3.970 -13.784 8.793) 16.825 10.207 ( -2.466 -11.289 -8.057) 14.087 10.207 ( -2.466 -11.289 8.057) 14.087 10.859 ( 9.920 13.141 -7.038) 17.906 10.859 ( 9.920 13.141 7.038) 17.906 11.320 ( -2.542 9.513 -13.268) 16.523 11.320 ( -2.542 9.513 13.268) 16.523 11.588 ( -3.581 -7.100 -3.351) 8.630 11.588 ( -3.581 -7.100 3.351) 8.630 12.268 ( -9.662 -12.159 -4.619) 16.203 12.268 ( -9.662 -12.159 4.619) 16.203 13.250 ( 0.376 1.987 -6.185) 6.507 13.250 ( 0.376 1.987 6.185) 6.507 13.392 ( -6.720 3.164 -2.476) 7.830 13.392 ( -6.720 3.164 2.476) 7.830 13.862 ( -5.391 6.648 -5.769) 10.322 13.862 ( -5.391 6.648 5.769) 10.322 14.071 ( 3.882 18.175 -3.505) 18.912 14.071 ( 3.882 18.175 3.505) 18.912 14.980 ( 14.190 -11.789 -9.914) 20.944 14.980 ( 14.190 -11.789 9.914) 20.944 15.520 ( -8.186 22.932 -12.469) 27.356 15.520 ( -8.186 22.932 12.469) 27.356 15.817 ( 6.289 -15.660 -1.115) 16.913 15.817 ( 6.289 -15.660 1.115) 16.913 17.243 ( 9.131 -11.492 -10.071) 17.800 17.243 ( 9.131 -11.492 10.071) 17.800 17.959 ( 11.306 12.094 -15.538) 22.705 17.959 ( 11.306 12.094 15.538) 22.705 18.208 ( 3.647 -6.997 -7.327) 10.768 18.208 ( 3.647 -6.997 7.327) 10.768 18.544 ( 2.829 -11.960 -6.375) 13.845 18.544 ( 2.829 -11.960 6.375) 13.845 19.294 ( 8.418 -16.329 -0.935) 18.395 19.294 ( 8.418 -16.329 0.935) 18.395 20.902 ( -15.658 14.721 -3.417) 21.762 20.902 ( -15.658 14.721 3.417) 21.762 21.219 ( -10.352 2.508 -3.795) 11.307 21.219 ( -10.352 2.508 3.795) 11.307 ======================= Grid point 359 (115/120) ======================= q-point: ( 0.44 0.29 -0.50) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.536 ( -0.384 8.722 -3.039) 9.244 2.536 ( -0.384 8.722 3.039) 9.244 2.975 ( -1.367 -3.319 -2.138) 4.178 2.975 ( -1.367 -3.319 2.138) 4.178 3.264 ( 0.578 -4.040 -6.768) 7.903 3.264 ( 0.578 -4.040 6.768) 7.903 3.328 ( -4.120 -3.455 -3.913) 6.650 3.328 ( -4.120 -3.455 3.913) 6.650 3.858 ( 1.703 6.152 -0.824) 6.436 3.858 ( 1.703 6.152 0.824) 6.436 4.470 ( 1.791 -15.305 -0.399) 15.414 4.470 ( 1.791 -15.305 0.399) 15.414 8.081 ( 5.311 25.406 -2.559) 26.081 8.081 ( 5.311 25.406 2.559) 26.081 8.398 ( 2.202 13.570 -14.003) 19.623 8.398 ( 2.202 13.570 14.003) 19.623 8.599 ( -2.757 9.560 -5.557) 11.396 8.599 ( -2.757 9.560 5.557) 11.396 9.370 ( 0.455 -16.622 -4.363) 17.191 9.370 ( 0.455 -16.622 4.363) 17.191 9.699 ( -1.415 -16.629 -6.998) 18.097 9.699 ( -1.415 -16.629 6.998) 18.097 10.175 ( -0.267 -16.419 -2.224) 16.571 10.175 ( -0.267 -16.419 2.224) 16.571 10.986 ( 1.352 13.419 -2.739) 13.763 10.986 ( 1.352 13.419 2.739) 13.763 11.312 ( 2.166 13.545 -9.727) 16.815 11.312 ( 2.166 13.545 9.727) 16.815 11.553 ( -0.808 -5.087 -2.802) 5.864 11.553 ( -0.808 -5.087 2.802) 5.864 12.133 ( -3.269 -13.819 -2.537) 14.425 12.133 ( -3.269 -13.819 2.537) 14.425 13.226 ( -1.250 1.466 -3.010) 3.574 13.226 ( -1.250 1.466 3.010) 3.574 13.291 ( -2.871 -0.403 -1.715) 3.368 13.291 ( -2.871 -0.403 1.715) 3.368 13.786 ( -1.514 11.235 -2.879) 11.696 13.786 ( -1.514 11.235 2.879) 11.696 14.142 ( 1.970 19.171 -2.229) 19.400 14.142 ( 1.970 19.171 2.229) 19.400 15.224 ( 8.531 -9.738 -5.197) 13.950 15.224 ( 8.531 -9.738 5.197) 13.950 15.374 ( -5.757 22.690 -6.439) 24.279 15.374 ( -5.757 22.690 6.439) 24.279 15.907 ( 2.172 -21.109 -0.591) 21.229 15.907 ( 2.172 -21.109 0.591) 21.229 17.377 ( 3.306 -17.302 -3.614) 17.981 17.377 ( 3.306 -17.302 3.614) 17.981 18.054 ( 0.600 18.165 -4.778) 18.792 18.054 ( 0.600 18.165 4.778) 18.792 18.370 ( 7.812 -9.821 -5.501) 13.702 18.370 ( 7.812 -9.821 5.501) 13.702 18.573 ( -0.410 -8.570 -1.555) 8.719 18.573 ( -0.410 -8.570 1.555) 8.719 19.418 ( 3.146 -18.828 -1.038) 19.117 19.418 ( 3.146 -18.828 1.038) 19.117 20.650 ( -6.969 18.456 -1.386) 19.777 20.650 ( -6.969 18.456 1.386) 19.777 21.053 ( -4.575 2.460 -1.692) 5.463 21.053 ( -4.575 2.460 1.692) 5.463 ======================= Grid point 369 (116/120) ======================= q-point: ( 0.00 0.43 -0.50) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.691 ( 0.000 2.048 -1.992) 2.857 2.691 ( 0.000 2.048 1.992) 2.857 3.177 ( 0.000 -5.239 -4.555) 6.942 3.177 ( 0.000 -5.239 4.555) 6.942 3.252 ( 0.000 3.016 -4.654) 5.545 3.252 ( 0.000 3.016 4.654) 5.545 3.584 ( 0.000 7.386 -6.331) 9.728 3.584 ( 0.000 7.386 6.331) 9.728 3.743 ( 0.000 -7.393 -3.772) 8.299 3.743 ( 0.000 -7.393 3.772) 8.299 4.140 ( 0.000 -3.519 -2.957) 4.596 4.140 ( 0.000 -3.519 2.957) 4.596 7.228 ( 0.000 0.076 -2.461) 2.462 7.228 ( 0.000 0.076 2.461) 2.462 7.929 ( 0.000 2.391 -0.774) 2.513 7.929 ( 0.000 2.391 0.774) 2.513 8.918 ( 0.000 -0.504 -4.293) 4.323 8.918 ( 0.000 -0.504 4.293) 4.323 9.087 ( 0.000 -0.708 -2.567) 2.662 9.087 ( 0.000 -0.708 2.567) 2.662 9.950 ( 0.000 2.826 -0.329) 2.845 9.950 ( 0.000 2.826 0.329) 2.845 10.080 ( 0.000 1.285 -3.070) 3.328 10.080 ( 0.000 1.285 3.070) 3.328 10.966 ( 0.000 16.384 -13.518) 21.240 10.966 ( 0.000 16.384 13.518) 21.240 11.333 ( 0.000 -15.018 -20.761) 25.624 11.333 ( 0.000 -15.018 20.761) 25.624 11.874 ( 0.000 0.406 -0.232) 0.467 11.874 ( 0.000 0.406 0.232) 0.467 12.950 ( 0.000 -3.581 -2.360) 4.289 12.950 ( 0.000 -3.581 2.360) 4.289 13.004 ( 0.000 -6.647 -0.660) 6.680 13.004 ( 0.000 -6.647 0.660) 6.680 13.329 ( 0.000 0.661 -0.335) 0.741 13.329 ( 0.000 0.661 0.335) 0.741 13.882 ( 0.000 6.327 -2.804) 6.921 13.882 ( 0.000 6.327 2.804) 6.921 14.404 ( 0.000 -0.218 -0.826) 0.854 14.404 ( 0.000 -0.218 0.826) 0.854 14.731 ( 0.000 7.990 -0.397) 8.000 14.731 ( 0.000 7.990 0.397) 8.000 15.166 ( 0.000 -4.426 -5.331) 6.928 15.166 ( 0.000 -4.426 5.331) 6.928 16.377 ( 0.000 1.555 -5.377) 5.598 16.377 ( 0.000 1.555 5.377) 5.598 16.834 ( 0.000 18.445 -3.388) 18.753 16.834 ( 0.000 18.445 3.388) 18.753 17.324 ( 0.000 1.778 -17.040) 17.132 17.324 ( 0.000 1.778 17.040) 17.132 17.607 ( 0.000 -22.765 -11.819) 25.650 17.607 ( 0.000 -22.765 11.819) 25.650 18.242 ( 0.000 -3.778 -2.536) 4.551 18.242 ( 0.000 -3.778 2.536) 4.551 18.797 ( 0.000 -2.855 -0.074) 2.856 18.797 ( 0.000 -2.855 0.074) 2.856 21.714 ( 0.000 2.713 -2.589) 3.750 21.714 ( 0.000 2.713 2.589) 3.750 21.743 ( 0.000 1.575 -1.317) 2.053 21.743 ( 0.000 1.575 1.317) 2.053 ======================= Grid point 371 (117/120) ======================= q-point: ( 0.11 0.43 -0.50) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.690 ( -0.339 2.320 -2.340) 3.313 2.690 ( -0.339 2.320 2.340) 3.313 3.113 ( -4.069 0.234 -1.995) 4.538 3.113 ( -4.069 0.234 1.995) 4.538 3.288 ( 1.680 -4.054 -2.628) 5.115 3.288 ( 1.680 -4.054 2.628) 5.115 3.573 ( -2.215 4.487 -3.602) 6.166 3.573 ( -2.215 4.487 3.602) 6.166 3.733 ( 0.177 -3.451 -1.523) 3.776 3.733 ( 0.177 -3.451 1.523) 3.776 4.155 ( 1.404 -3.443 -2.458) 4.457 4.155 ( 1.404 -3.443 2.458) 4.457 7.348 ( 11.099 0.591 -2.322) 11.355 7.348 ( 11.099 0.591 2.322) 11.355 8.068 ( 12.369 3.576 -0.964) 12.912 8.068 ( 12.369 3.576 0.964) 12.912 8.910 ( -0.495 0.865 -5.521) 5.610 8.910 ( -0.495 0.865 5.521) 5.610 9.066 ( -1.626 -2.487 -7.830) 8.375 9.066 ( -1.626 -2.487 7.830) 8.375 10.003 ( -4.085 2.917 -2.640) 5.672 10.003 ( -4.085 2.917 2.640) 5.672 10.048 ( 4.500 0.288 -5.731) 7.293 10.048 ( 4.500 0.288 5.731) 7.293 10.917 ( -3.801 12.750 -14.291) 19.525 10.917 ( -3.801 12.750 14.291) 19.525 11.297 ( -2.222 -12.225 -16.358) 20.542 11.297 ( -2.222 -12.225 16.358) 20.542 11.812 ( -5.254 0.169 -0.494) 5.280 11.812 ( -5.254 0.169 0.494) 5.280 12.775 ( -15.543 -3.334 -2.159) 16.043 12.775 ( -15.543 -3.334 2.159) 16.043 13.105 ( 8.614 -0.658 -2.489) 8.990 13.105 ( 8.614 -0.658 2.489) 8.990 13.384 ( 5.003 -4.285 -1.715) 6.807 13.384 ( 5.003 -4.285 1.715) 6.807 13.984 ( 7.416 7.667 -2.493) 10.954 13.984 ( 7.416 7.667 2.493) 10.954 14.286 ( -9.000 -1.676 -3.098) 9.665 14.286 ( -9.000 -1.676 3.098) 9.665 14.710 ( -1.218 9.838 -1.849) 10.084 14.710 ( -1.218 9.838 1.849) 10.084 15.234 ( 5.211 -7.823 -4.236) 10.310 15.234 ( 5.211 -7.823 4.236) 10.310 16.307 ( -5.845 7.809 -8.895) 13.200 16.307 ( -5.845 7.809 8.895) 13.200 16.860 ( 1.949 8.291 -8.270) 11.872 16.860 ( 1.949 8.291 8.270) 11.872 17.437 ( 10.234 0.869 -17.350) 20.162 17.437 ( 10.234 0.869 17.350) 20.162 17.699 ( 8.424 -17.122 -12.235) 22.668 17.699 ( 8.424 -17.122 12.235) 22.668 18.318 ( 6.537 -1.980 -3.822) 7.827 18.318 ( 6.537 -1.980 3.822) 7.827 18.804 ( 0.798 -4.410 -0.541) 4.515 18.804 ( 0.798 -4.410 0.541) 4.515 21.632 ( -7.746 3.742 -2.574) 8.979 21.632 ( -7.746 3.742 2.574) 8.979 21.666 ( -7.002 0.820 -0.848) 7.101 21.666 ( -7.002 0.820 0.848) 7.101 ======================= Grid point 373 (118/120) ======================= q-point: ( 0.22 0.43 -0.50) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.674 ( -0.890 3.035 -2.856) 4.262 2.674 ( -0.890 3.035 2.856) 4.262 3.033 ( -3.558 -0.231 -1.233) 3.773 3.033 ( -3.558 -0.231 1.233) 3.773 3.313 ( 0.593 -2.968 -5.685) 6.440 3.313 ( 0.593 -2.968 5.685) 6.440 3.464 ( -7.314 -2.369 -3.432) 8.420 3.464 ( -7.314 -2.369 3.432) 8.420 3.777 ( 3.542 1.825 -1.378) 4.216 3.777 ( 3.542 1.825 1.378) 4.216 4.193 ( 1.929 -3.648 -1.502) 4.391 4.193 ( 1.929 -3.648 1.502) 4.391 7.666 ( 18.575 2.180 -1.810) 18.790 7.666 ( 18.575 2.180 1.810) 18.790 8.375 ( 14.899 8.263 -4.220) 17.552 8.375 ( 14.899 8.263 4.220) 17.552 8.912 ( 0.722 3.073 -7.535) 8.170 8.912 ( 0.722 3.073 7.535) 8.170 9.035 ( -0.712 -6.405 -15.539) 16.822 9.035 ( -0.712 -6.405 15.539) 16.822 9.820 ( -11.529 -0.150 -1.927) 11.690 9.820 ( -11.529 -0.150 1.927) 11.690 10.115 ( -2.498 -3.104 -5.247) 6.588 10.115 ( -2.498 -3.104 5.247) 6.588 10.908 ( 5.695 10.115 -11.961) 16.667 10.908 ( 5.695 10.115 11.961) 16.667 11.284 ( 1.261 -8.324 -10.837) 13.723 11.284 ( 1.261 -8.324 10.837) 13.723 11.682 ( -6.693 0.957 -1.438) 6.912 11.682 ( -6.693 0.957 1.438) 6.912 12.401 ( -18.350 -4.078 -2.044) 18.909 12.401 ( -18.350 -4.078 2.044) 18.909 13.274 ( 5.697 5.391 -3.878) 8.750 13.274 ( 5.697 5.391 3.878) 8.750 13.470 ( 0.990 -5.990 -3.792) 7.159 13.470 ( 0.990 -5.990 3.792) 7.159 14.044 ( -3.123 6.499 -4.787) 8.655 14.044 ( -3.123 6.499 4.787) 8.655 14.205 ( 4.353 -1.735 -3.262) 5.709 14.205 ( 4.353 -1.735 3.262) 5.709 14.732 ( 4.361 12.246 -4.876) 13.884 14.732 ( 4.361 12.246 4.876) 13.884 15.336 ( 4.033 -15.112 -0.942) 15.669 15.336 ( 4.033 -15.112 0.942) 15.669 16.174 ( -6.054 16.702 -9.691) 20.236 16.174 ( -6.054 16.702 9.691) 20.236 16.893 ( 0.777 -7.434 -8.927) 11.643 16.893 ( 0.777 -7.434 8.927) 11.643 17.710 ( 14.949 -1.087 -14.210) 20.654 17.710 ( 14.949 -1.087 14.210) 20.654 17.930 ( 12.882 -6.547 -10.000) 17.573 17.930 ( 12.882 -6.547 10.000) 17.573 18.469 ( 6.657 5.089 -4.829) 9.671 18.469 ( 6.657 5.089 4.829) 9.671 18.843 ( 3.252 -11.005 -1.386) 11.559 18.843 ( 3.252 -11.005 1.386) 11.559 21.408 ( -12.983 5.940 -1.962) 14.412 21.408 ( -12.983 5.940 1.962) 14.412 21.471 ( -11.187 -0.581 -1.752) 11.338 21.471 ( -11.187 -0.581 1.752) 11.338 ======================= Grid point 375 (119/120) ======================= q-point: ( 0.33 0.43 -0.50) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.671 ( 0.886 4.347 -2.970) 5.338 2.671 ( 0.886 4.347 2.970) 5.338 2.964 ( -3.132 -1.805 -1.985) 4.124 2.964 ( -3.132 -1.805 1.985) 4.124 3.271 ( -4.985 0.355 -11.257) 12.317 3.271 ( -4.985 0.355 11.257) 12.317 3.337 ( -3.735 -4.811 -8.190) 10.206 3.337 ( -3.735 -4.811 8.190) 10.206 3.873 ( 5.576 2.834 -0.806) 6.307 3.873 ( 5.576 2.834 0.806) 6.307 4.221 ( 0.521 -5.578 -0.958) 5.684 4.221 ( 0.521 -5.578 0.958) 5.684 8.088 ( 21.022 5.490 -0.785) 21.742 8.088 ( 21.022 5.490 0.785) 21.742 8.609 ( 6.857 13.826 -11.097) 19.009 8.609 ( 6.857 13.826 11.097) 19.009 8.898 ( -2.883 7.386 -11.497) 13.966 8.898 ( -2.883 7.386 11.497) 13.966 9.092 ( 5.669 -10.176 -11.823) 16.597 9.092 ( 5.669 -10.176 11.823) 16.597 9.552 ( -12.734 -5.004 -1.192) 13.733 9.552 ( -12.734 -5.004 1.192) 13.733 9.959 ( -9.988 -10.880 -4.468) 15.430 9.959 ( -9.988 -10.880 4.468) 15.430 11.119 ( 10.702 12.222 -5.287) 17.084 11.119 ( 10.702 12.222 5.287) 17.084 11.346 ( 4.549 -7.440 -7.600) 11.567 11.346 ( 4.549 -7.440 7.600) 11.567 11.560 ( -3.926 3.994 -3.268) 6.484 11.560 ( -3.926 3.994 3.268) 6.484 12.067 ( -12.790 -6.926 -3.094) 14.870 12.067 ( -12.790 -6.926 3.094) 14.870 13.294 ( -3.384 2.241 -3.591) 5.419 13.294 ( -3.384 2.241 3.591) 5.419 13.407 ( -5.515 -1.067 -3.088) 6.410 13.407 ( -5.515 -1.067 3.088) 6.410 14.039 ( 2.708 10.366 -6.000) 12.280 14.039 ( 2.708 10.366 6.000) 12.280 14.318 ( 5.091 -0.483 -6.151) 7.999 14.318 ( 5.091 -0.483 6.151) 7.999 14.879 ( 8.237 9.678 -5.909) 14.015 14.879 ( 8.237 9.678 5.909) 14.015 15.396 ( 1.826 -21.851 -2.523) 22.072 15.396 ( 1.826 -21.851 2.523) 22.072 16.081 ( -2.470 26.093 -7.856) 27.362 16.081 ( -2.470 26.093 7.856) 27.362 16.880 ( -2.037 -22.057 -6.436) 23.067 16.880 ( -2.037 -22.057 6.436) 23.067 18.024 ( 14.315 -0.608 -7.704) 16.268 18.024 ( 14.315 -0.608 7.704) 16.268 18.202 ( 12.308 0.169 -5.850) 13.629 18.202 ( 12.308 0.169 5.850) 13.629 18.561 ( 2.036 13.640 -1.721) 13.898 18.561 ( 2.036 13.640 1.721) 13.898 18.933 ( 4.658 -19.483 -0.243) 20.034 18.933 ( 4.658 -19.483 0.243) 20.034 21.130 ( -12.598 8.410 -1.383) 15.210 21.130 ( -12.598 8.410 1.383) 15.210 21.230 ( -10.955 -1.862 -2.153) 11.319 21.230 ( -10.955 -1.862 2.153) 11.319 ======================= Grid point 377 (120/120) ======================= q-point: ( 0.44 0.43 -0.50) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.710 ( 2.163 7.902 -1.760) 8.379 2.710 ( 2.163 7.902 1.760) 8.379 2.897 ( -2.865 -4.568 -1.212) 5.527 2.897 ( -2.865 -4.568 1.212) 5.527 3.205 ( -0.271 -1.654 -4.696) 4.986 3.205 ( -0.271 -1.654 4.696) 4.986 3.258 ( -3.746 -2.765 -3.260) 5.684 3.258 ( -3.746 -2.765 3.260) 5.684 3.986 ( 4.064 6.680 -0.670) 7.848 3.986 ( 4.064 6.680 0.670) 7.848 4.211 ( -1.100 -10.291 -0.570) 10.365 4.211 ( -1.100 -10.291 0.570) 10.365 8.500 ( 16.634 14.076 -2.055) 21.887 8.500 ( 16.634 14.076 2.055) 21.887 8.692 ( 1.273 13.952 -9.323) 16.829 8.692 ( 1.273 13.952 9.323) 16.829 8.820 ( -3.393 9.712 -3.383) 10.830 8.820 ( -3.393 9.712 3.383) 10.830 9.075 ( -8.446 -11.681 -2.177) 14.578 9.075 ( -8.446 -11.681 2.177) 14.578 9.435 ( 2.452 -6.248 -5.320) 8.565 9.435 ( 2.452 -6.248 5.320) 8.565 9.771 ( -6.584 -20.952 -2.759) 22.135 9.771 ( -6.584 -20.952 2.759) 22.135 11.236 ( 1.248 11.656 -1.849) 11.867 11.236 ( 1.248 11.656 1.849) 11.867 11.426 ( 1.506 -7.290 -3.124) 8.073 11.426 ( 1.506 -7.290 3.124) 8.073 11.575 ( 4.163 11.145 -1.325) 11.971 11.575 ( 4.163 11.145 1.325) 11.971 11.881 ( -4.953 -11.198 -3.338) 12.691 11.881 ( -4.953 -11.198 3.338) 12.691 13.227 ( -0.951 -0.176 -1.303) 1.622 13.227 ( -0.951 -0.176 1.303) 1.622 13.283 ( -5.405 -0.500 -0.878) 5.498 13.283 ( -5.405 -0.500 0.878) 5.498 14.100 ( 2.010 18.610 -2.855) 18.935 14.100 ( 2.010 18.610 2.855) 18.935 14.396 ( 2.030 -2.243 -3.184) 4.392 14.396 ( 2.030 -2.243 3.184) 4.392 15.014 ( 3.685 6.050 -2.918) 7.661 15.014 ( 3.685 6.050 2.918) 7.661 15.418 ( 0.387 -25.248 -1.910) 25.323 15.418 ( 0.387 -25.248 1.910) 25.323 16.069 ( 0.547 36.161 -3.360) 36.321 16.069 ( 0.547 36.161 3.360) 36.321 16.827 ( -2.120 -34.358 -2.543) 34.517 16.827 ( -2.120 -34.358 2.543) 34.517 18.268 ( 7.620 3.553 -2.884) 8.889 18.268 ( 7.620 3.553 2.884) 8.889 18.400 ( 5.565 -2.754 -6.939) 9.311 18.400 ( 5.565 -2.754 6.939) 9.311 18.562 ( -1.279 19.288 -3.378) 19.624 18.562 ( -1.279 19.288 3.378) 19.624 19.005 ( 1.795 -22.991 -0.732) 23.073 19.005 ( 1.795 -22.991 0.732) 23.073 20.931 ( -5.410 10.317 -0.620) 11.666 20.931 ( -5.410 10.317 0.620) 11.666 21.056 ( -4.762 -2.715 -1.060) 5.583 21.056 ( -4.762 -2.715 1.060) 5.583 =================== 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 3/37800 10.0 21962.907 34518.768 19497.902 0.000 0.000 0.000 3/37800 20.0 1889.331 2680.218 2051.488 0.000 0.000 0.000 3/37800 30.0 766.599 1127.064 867.338 0.000 0.000 0.000 3/37800 40.0 446.453 661.389 518.737 0.000 0.000 0.000 3/37800 50.0 284.908 422.407 335.161 0.000 0.000 -0.000 3/37800 60.0 190.687 282.628 224.590 0.000 0.000 -0.000 3/37800 70.0 132.843 196.656 155.824 0.000 0.000 0.000 3/37800 80.0 96.244 142.103 112.319 0.000 0.000 0.000 3/37800 90.0 72.386 106.418 84.106 0.000 0.000 0.000 3/37800 100.0 56.333 82.329 65.233 0.000 0.000 0.000 3/37800 110.0 45.181 65.562 52.188 0.000 0.000 0.000 3/37800 120.0 37.197 53.554 42.882 0.000 0.000 0.000 3/37800 130.0 31.319 44.725 36.048 0.000 0.000 0.000 3/37800 140.0 26.882 38.077 30.899 0.000 0.000 0.000 3/37800 150.0 23.456 32.962 26.927 0.000 0.000 0.000 3/37800 160.0 20.755 28.949 23.800 0.000 0.000 0.000 3/37800 170.0 18.587 25.745 21.291 0.000 0.000 0.000 3/37800 180.0 16.819 23.145 19.245 0.000 0.000 0.000 3/37800 190.0 15.354 21.004 17.552 0.000 0.000 0.000 3/37800 200.0 14.125 19.218 16.132 0.000 0.000 0.000 3/37800 210.0 13.081 17.710 14.926 0.000 0.000 0.000 3/37800 220.0 12.184 16.423 13.892 0.000 0.000 0.000 3/37800 230.0 11.407 15.313 12.996 0.000 0.000 0.000 3/37800 240.0 10.727 14.347 12.212 0.000 0.000 0.000 3/37800 250.0 10.128 13.500 11.522 0.000 0.000 0.000 3/37800 260.0 9.596 12.752 10.909 0.000 0.000 0.000 3/37800 270.0 9.120 12.085 10.362 0.000 0.000 0.000 3/37800 280.0 8.691 11.489 9.870 0.000 0.000 0.000 3/37800 290.0 8.304 10.952 9.425 0.000 0.000 0.000 3/37800 300.0 7.952 10.466 9.021 0.000 0.000 0.000 3/37800 310.0 7.631 10.023 8.652 0.000 0.000 0.000 3/37800 320.0 7.336 9.619 8.314 0.000 0.000 0.000 3/37800 330.0 7.064 9.248 8.003 0.000 0.000 0.000 3/37800 340.0 6.813 8.907 7.716 0.000 0.000 0.000 3/37800 350.0 6.581 8.591 7.450 0.000 0.000 0.000 3/37800 360.0 6.365 8.298 7.203 0.000 0.000 0.000 3/37800 370.0 6.163 8.026 6.973 0.000 0.000 0.000 3/37800 380.0 5.975 7.772 6.758 0.000 0.000 0.000 3/37800 390.0 5.798 7.535 6.556 0.000 0.000 0.000 3/37800 400.0 5.632 7.313 6.367 0.000 0.000 0.000 3/37800 410.0 5.476 7.104 6.189 0.000 0.000 0.000 3/37800 420.0 5.329 6.907 6.021 0.000 0.000 0.000 3/37800 430.0 5.189 6.722 5.862 0.000 0.000 0.000 3/37800 440.0 5.058 6.546 5.712 0.000 0.000 0.000 3/37800 450.0 4.933 6.381 5.570 0.000 0.000 0.000 3/37800 460.0 4.814 6.223 5.435 0.000 0.000 0.000 3/37800 470.0 4.701 6.074 5.307 0.000 0.000 0.000 3/37800 480.0 4.594 5.932 5.185 0.000 0.000 0.000 3/37800 490.0 4.492 5.797 5.069 0.000 0.000 0.000 3/37800 500.0 4.394 5.668 4.957 0.000 0.000 0.000 3/37800 510.0 4.300 5.545 4.851 0.000 0.000 0.000 3/37800 520.0 4.211 5.428 4.750 0.000 0.000 0.000 3/37800 530.0 4.125 5.315 4.653 0.000 0.000 0.000 3/37800 540.0 4.043 5.208 4.560 0.000 0.000 0.000 3/37800 550.0 3.965 5.104 4.470 0.000 0.000 0.000 3/37800 560.0 3.889 5.005 4.385 0.000 0.000 0.000 3/37800 570.0 3.816 4.910 4.302 0.000 0.000 0.000 3/37800 580.0 3.746 4.819 4.223 0.000 0.000 0.000 3/37800 590.0 3.679 4.731 4.146 0.000 0.000 0.000 3/37800 600.0 3.614 4.646 4.073 0.000 0.000 0.000 3/37800 610.0 3.551 4.564 4.002 0.000 0.000 0.000 3/37800 620.0 3.491 4.485 3.934 0.000 0.000 0.000 3/37800 630.0 3.433 4.409 3.868 0.000 0.000 0.000 3/37800 640.0 3.376 4.336 3.804 0.000 0.000 0.000 3/37800 650.0 3.322 4.265 3.742 0.000 0.000 0.000 3/37800 660.0 3.269 4.196 3.682 0.000 0.000 0.000 3/37800 670.0 3.218 4.130 3.625 0.000 0.000 0.000 3/37800 680.0 3.168 4.066 3.569 0.000 0.000 0.000 3/37800 690.0 3.121 4.004 3.515 0.000 0.000 0.000 3/37800 700.0 3.074 3.943 3.462 0.000 0.000 0.000 3/37800 710.0 3.029 3.885 3.411 0.000 0.000 0.000 3/37800 720.0 2.985 3.828 3.362 0.000 0.000 0.000 3/37800 730.0 2.943 3.773 3.314 0.000 0.000 0.000 3/37800 740.0 2.902 3.720 3.267 0.000 0.000 0.000 3/37800 750.0 2.861 3.668 3.222 0.000 0.000 0.000 3/37800 760.0 2.822 3.617 3.178 0.000 0.000 0.000 3/37800 770.0 2.785 3.568 3.135 0.000 0.000 0.000 3/37800 780.0 2.748 3.521 3.093 0.000 0.000 0.000 3/37800 790.0 2.712 3.474 3.053 0.000 0.000 0.000 3/37800 800.0 2.677 3.429 3.013 0.000 0.000 0.000 3/37800 810.0 2.643 3.385 2.975 0.000 0.000 0.000 3/37800 820.0 2.609 3.342 2.937 0.000 0.000 0.000 3/37800 830.0 2.577 3.300 2.901 0.000 0.000 0.000 3/37800 840.0 2.546 3.260 2.865 0.000 0.000 0.000 3/37800 850.0 2.515 3.220 2.830 0.000 0.000 0.000 3/37800 860.0 2.485 3.181 2.796 0.000 0.000 0.000 3/37800 870.0 2.455 3.143 2.763 0.000 0.000 0.000 3/37800 880.0 2.427 3.107 2.731 0.000 0.000 0.000 3/37800 890.0 2.399 3.070 2.700 0.000 0.000 0.000 3/37800 900.0 2.372 3.035 2.669 0.000 0.000 0.000 3/37800 910.0 2.345 3.001 2.639 0.000 0.000 0.000 3/37800 920.0 2.319 2.967 2.609 0.000 0.000 0.000 3/37800 930.0 2.293 2.934 2.580 0.000 0.000 0.000 3/37800 940.0 2.268 2.902 2.552 0.000 0.000 0.000 3/37800 950.0 2.244 2.871 2.525 0.000 0.000 0.000 3/37800 960.0 2.220 2.840 2.498 0.000 0.000 0.000 3/37800 970.0 2.197 2.810 2.471 0.000 0.000 0.000 3/37800 980.0 2.174 2.781 2.446 0.000 0.000 0.000 3/37800 990.0 2.151 2.752 2.420 0.000 0.000 0.000 3/37800 1000.0 2.129 2.724 2.396 0.000 0.000 0.000 3/37800 Thermal conductivity related properties were written into "kappa-m9710.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:34:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|