----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 06:52:49]------------------------- 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: [3 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.865622570000000 -4.863840785000000 0.000000000000000 b 1.865622570000000 4.863840785000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.006202419999999 Atomic positions (fractional): *1 O 0.68651134414432 0.31348865585568 0.56176006068198 15.999 2 O 0.31348865585568 0.68651134414432 0.43823993931802 15.999 3 O 0.31348865585568 0.68651134414432 0.06176006068198 15.999 4 O 0.68651134414432 0.31348865585568 0.93823993931802 15.999 *5 O 0.95342551994193 0.04657448005807 0.61322445970280 15.999 6 O 0.04657448005807 0.95342551994193 0.38677554029720 15.999 *7 O 0.21546383489254 0.78453616510746 0.75000000000000 15.999 8 O 0.78453616510746 0.21546383489254 0.25000000000000 15.999 9 O 0.95342551994193 0.04657448005807 0.88677554029720 15.999 10 O 0.04657448005807 0.95342551994193 0.11322445970280 15.999 *11 Mg 0.80295656782904 0.19704343217096 0.75000000000000 24.305 12 Mg 0.19704343217096 0.80295656782904 0.25000000000000 24.305 *13 Ti 0.13303852556974 0.86696147443026 0.56649088343934 47.867 14 Ti 0.86696147443026 0.13303852556974 0.43350911656066 47.867 15 Ti 0.13303852556974 0.86696147443026 0.93350911656066 47.867 16 Ti 0.86696147443026 0.13303852556974 0.06649088343934 47.867 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.731245140000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.727681570000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.006202419999999 Atomic positions (fractional): *1 O 0.00000000000000 0.31348865585568 0.56176006068198 15.999 > 1 2 O 0.50000000000000 0.18651134414432 0.43823993931802 15.999 > 2 3 O 0.50000000000000 0.18651134414432 0.06176006068198 15.999 > 3 4 O 0.00000000000000 0.31348865585568 0.93823993931802 15.999 > 4 *5 O 0.00000000000000 0.04657448005807 0.61322445970280 15.999 > 5 6 O 0.50000000000000 0.45342551994193 0.38677554029720 15.999 > 6 *7 O 0.50000000000000 0.28453616510746 0.75000000000000 15.999 > 7 8 O 0.00000000000000 0.21546383489254 0.25000000000000 15.999 > 8 9 O 0.00000000000000 0.04657448005807 0.88677554029720 15.999 > 9 10 O 0.50000000000000 0.45342551994193 0.11322445970280 15.999 > 10 11 O 0.50000000000000 0.81348865585568 0.56176006068198 15.999 > 1 12 O 0.00000000000000 0.68651134414432 0.43823993931802 15.999 > 2 13 O 0.00000000000000 0.68651134414432 0.06176006068198 15.999 > 3 14 O 0.50000000000000 0.81348865585568 0.93823993931802 15.999 > 4 15 O 0.50000000000000 0.54657448005807 0.61322445970280 15.999 > 5 16 O 0.00000000000000 0.95342551994193 0.38677554029720 15.999 > 6 17 O 0.00000000000000 0.78453616510747 0.75000000000000 15.999 > 7 18 O 0.50000000000000 0.71546383489253 0.25000000000000 15.999 > 8 19 O 0.50000000000000 0.54657448005807 0.88677554029720 15.999 > 9 20 O 0.00000000000000 0.95342551994193 0.11322445970280 15.999 > 10 *21 Mg 0.00000000000000 0.19704343217096 0.75000000000000 24.305 > 11 22 Mg 0.50000000000000 0.30295656782904 0.25000000000000 24.305 > 12 23 Mg 0.50000000000000 0.69704343217096 0.75000000000000 24.305 > 11 24 Mg 0.00000000000000 0.80295656782904 0.25000000000000 24.305 > 12 *25 Ti 0.50000000000000 0.36696147443026 0.56649088343934 47.867 > 13 26 Ti 0.00000000000000 0.13303852556974 0.43350911656066 47.867 > 14 27 Ti 0.50000000000000 0.36696147443026 0.93350911656066 47.867 > 15 28 Ti 0.00000000000000 0.13303852556974 0.06649088343934 47.867 > 16 29 Ti 0.00000000000000 0.86696147443026 0.56649088343934 47.867 > 13 30 Ti 0.50000000000000 0.63303852556974 0.43350911656066 47.867 > 14 31 Ti 0.00000000000000 0.86696147443026 0.93350911656066 47.867 > 15 32 Ti 0.50000000000000 0.63303852556974 0.06649088343934 47.867 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.193735419999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.727681570000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.006202419999999 Atomic positions (fractional): *1 O 0.00000000000000 0.31348865585568 0.56176006068198 15.999 > 1 2 O 0.33333333333333 0.31348865585568 0.56176006068198 15.999 > 1 3 O 0.66666666666667 0.31348865585568 0.56176006068198 15.999 > 1 4 O 0.16666666666667 0.18651134414432 0.43823993931802 15.999 > 2 5 O 0.50000000000000 0.18651134414432 0.43823993931802 15.999 > 2 6 O 0.83333333333333 0.18651134414432 0.43823993931802 15.999 > 2 7 O 0.16666666666667 0.18651134414432 0.06176006068198 15.999 > 3 8 O 0.50000000000000 0.18651134414432 0.06176006068198 15.999 > 3 9 O 0.83333333333333 0.18651134414432 0.06176006068198 15.999 > 3 10 O 0.00000000000000 0.31348865585568 0.93823993931802 15.999 > 4 11 O 0.33333333333333 0.31348865585568 0.93823993931802 15.999 > 4 12 O 0.66666666666667 0.31348865585568 0.93823993931802 15.999 > 4 *13 O 0.00000000000000 0.04657448005807 0.61322445970280 15.999 > 5 14 O 0.33333333333333 0.04657448005807 0.61322445970280 15.999 > 5 15 O 0.66666666666667 0.04657448005807 0.61322445970280 15.999 > 5 16 O 0.16666666666667 0.45342551994193 0.38677554029720 15.999 > 6 17 O 0.50000000000000 0.45342551994193 0.38677554029720 15.999 > 6 18 O 0.83333333333333 0.45342551994193 0.38677554029720 15.999 > 6 *19 O 0.16666666666667 0.28453616510746 0.75000000000000 15.999 > 7 20 O 0.50000000000000 0.28453616510746 0.75000000000000 15.999 > 7 21 O 0.83333333333333 0.28453616510746 0.75000000000000 15.999 > 7 22 O 0.00000000000000 0.21546383489254 0.25000000000000 15.999 > 8 23 O 0.33333333333333 0.21546383489254 0.25000000000000 15.999 > 8 24 O 0.66666666666667 0.21546383489254 0.25000000000000 15.999 > 8 25 O 0.00000000000000 0.04657448005807 0.88677554029720 15.999 > 9 26 O 0.33333333333333 0.04657448005807 0.88677554029720 15.999 > 9 27 O 0.66666666666667 0.04657448005807 0.88677554029720 15.999 > 9 28 O 0.16666666666667 0.45342551994193 0.11322445970280 15.999 > 10 29 O 0.50000000000000 0.45342551994193 0.11322445970280 15.999 > 10 30 O 0.83333333333333 0.45342551994193 0.11322445970280 15.999 > 10 31 O 0.16666666666667 0.81348865585568 0.56176006068198 15.999 > 1 32 O 0.50000000000000 0.81348865585568 0.56176006068198 15.999 > 1 33 O 0.83333333333333 0.81348865585568 0.56176006068198 15.999 > 1 34 O 0.00000000000000 0.68651134414432 0.43823993931802 15.999 > 2 35 O 0.33333333333333 0.68651134414432 0.43823993931802 15.999 > 2 36 O 0.66666666666667 0.68651134414432 0.43823993931802 15.999 > 2 37 O 0.00000000000000 0.68651134414432 0.06176006068198 15.999 > 3 38 O 0.33333333333333 0.68651134414432 0.06176006068198 15.999 > 3 39 O 0.66666666666667 0.68651134414432 0.06176006068198 15.999 > 3 40 O 0.16666666666667 0.81348865585568 0.93823993931802 15.999 > 4 41 O 0.50000000000000 0.81348865585568 0.93823993931802 15.999 > 4 42 O 0.83333333333333 0.81348865585568 0.93823993931802 15.999 > 4 43 O 0.16666666666667 0.54657448005807 0.61322445970280 15.999 > 5 44 O 0.50000000000000 0.54657448005807 0.61322445970280 15.999 > 5 45 O 0.83333333333333 0.54657448005807 0.61322445970280 15.999 > 5 46 O 0.00000000000000 0.95342551994193 0.38677554029720 15.999 > 6 47 O 0.33333333333333 0.95342551994193 0.38677554029720 15.999 > 6 48 O 0.66666666666667 0.95342551994193 0.38677554029720 15.999 > 6 49 O 0.00000000000000 0.78453616510747 0.75000000000000 15.999 > 7 50 O 0.33333333333333 0.78453616510747 0.75000000000000 15.999 > 7 51 O 0.66666666666667 0.78453616510747 0.75000000000000 15.999 > 7 52 O 0.16666666666667 0.71546383489253 0.25000000000000 15.999 > 8 53 O 0.50000000000000 0.71546383489253 0.25000000000000 15.999 > 8 54 O 0.83333333333333 0.71546383489253 0.25000000000000 15.999 > 8 55 O 0.16666666666667 0.54657448005807 0.88677554029720 15.999 > 9 56 O 0.50000000000000 0.54657448005807 0.88677554029720 15.999 > 9 57 O 0.83333333333333 0.54657448005807 0.88677554029720 15.999 > 9 58 O 0.00000000000000 0.95342551994193 0.11322445970280 15.999 > 10 59 O 0.33333333333333 0.95342551994193 0.11322445970280 15.999 > 10 60 O 0.66666666666667 0.95342551994193 0.11322445970280 15.999 > 10 *61 Mg 0.00000000000000 0.19704343217096 0.75000000000000 24.305 > 11 62 Mg 0.33333333333333 0.19704343217096 0.75000000000000 24.305 > 11 63 Mg 0.66666666666667 0.19704343217096 0.75000000000000 24.305 > 11 64 Mg 0.16666666666667 0.30295656782904 0.25000000000000 24.305 > 12 65 Mg 0.50000000000000 0.30295656782904 0.25000000000000 24.305 > 12 66 Mg 0.83333333333333 0.30295656782904 0.25000000000000 24.305 > 12 67 Mg 0.16666666666667 0.69704343217096 0.75000000000000 24.305 > 11 68 Mg 0.50000000000000 0.69704343217096 0.75000000000000 24.305 > 11 69 Mg 0.83333333333333 0.69704343217096 0.75000000000000 24.305 > 11 70 Mg 0.00000000000000 0.80295656782904 0.25000000000000 24.305 > 12 71 Mg 0.33333333333333 0.80295656782904 0.25000000000000 24.305 > 12 72 Mg 0.66666666666667 0.80295656782904 0.25000000000000 24.305 > 12 *73 Ti 0.16666666666667 0.36696147443026 0.56649088343934 47.867 > 13 74 Ti 0.50000000000000 0.36696147443026 0.56649088343934 47.867 > 13 75 Ti 0.83333333333333 0.36696147443026 0.56649088343934 47.867 > 13 76 Ti 0.00000000000000 0.13303852556974 0.43350911656066 47.867 > 14 77 Ti 0.33333333333333 0.13303852556974 0.43350911656066 47.867 > 14 78 Ti 0.66666666666667 0.13303852556974 0.43350911656066 47.867 > 14 79 Ti 0.16666666666667 0.36696147443026 0.93350911656066 47.867 > 15 80 Ti 0.50000000000000 0.36696147443026 0.93350911656066 47.867 > 15 81 Ti 0.83333333333333 0.36696147443026 0.93350911656066 47.867 > 15 82 Ti 0.00000000000000 0.13303852556974 0.06649088343934 47.867 > 16 83 Ti 0.33333333333333 0.13303852556974 0.06649088343934 47.867 > 16 84 Ti 0.66666666666667 0.13303852556974 0.06649088343934 47.867 > 16 85 Ti 0.00000000000000 0.86696147443026 0.56649088343934 47.867 > 13 86 Ti 0.33333333333333 0.86696147443026 0.56649088343934 47.867 > 13 87 Ti 0.66666666666667 0.86696147443026 0.56649088343934 47.867 > 13 88 Ti 0.16666666666667 0.63303852556974 0.43350911656066 47.867 > 14 89 Ti 0.50000000000000 0.63303852556974 0.43350911656066 47.867 > 14 90 Ti 0.83333333333333 0.63303852556974 0.43350911656066 47.867 > 14 91 Ti 0.00000000000000 0.86696147443026 0.93350911656066 47.867 > 15 92 Ti 0.33333333333333 0.86696147443026 0.93350911656066 47.867 > 15 93 Ti 0.66666666666667 0.86696147443026 0.93350911656066 47.867 > 15 94 Ti 0.16666666666667 0.63303852556974 0.06649088343934 47.867 > 16 95 Ti 0.50000000000000 0.63303852556974 0.06649088343934 47.867 > 16 96 Ti 0.83333333333333 0.63303852556974 0.06649088343934 47.867 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.5412719 0.0000000 0.0000000 0.0000000 5.2208541 0.0000000 0.0000000 0.0000000 4.8845434 -------------------------- Born effective charges -------------------------- 1 O -4.9859221 0.0000000 0.0000000 0.0000000 -2.1959091 -0.4745672 0.0000000 -0.2511331 -1.5193790 2 O -4.9859221 0.0000000 0.0000000 0.0000000 -2.1959091 -0.4745672 0.0000000 -0.2511331 -1.5193790 3 O -4.9859221 0.0000000 0.0000000 0.0000000 -2.1959091 0.4745672 0.0000000 0.2511331 -1.5193790 4 O -4.9859221 0.0000000 0.0000000 0.0000000 -2.1959091 0.4745672 0.0000000 0.2511331 -1.5193790 5 O -0.9430731 0.0000000 0.0000000 0.0000000 -3.5987953 0.3355444 0.0000000 0.4169239 -2.0902396 6 O -0.9430731 0.0000000 0.0000000 0.0000000 -3.5987953 0.3355444 0.0000000 0.4169239 -2.0902396 7 O -1.9188854 0.0000000 0.0000000 0.0000000 -1.6653188 0.0000000 0.0000000 0.0000000 -4.4188592 8 O -1.9188854 0.0000000 0.0000000 0.0000000 -1.6653188 0.0000000 0.0000000 0.0000000 -4.4188592 9 O -0.9430731 0.0000000 0.0000000 0.0000000 -3.5987953 -0.3355444 0.0000000 -0.4169239 -2.0902396 10 O -0.9430731 0.0000000 0.0000000 0.0000000 -3.5987953 -0.3355444 0.0000000 -0.4169239 -2.0902396 11 Mg 1.7790897 0.0000000 0.0000000 0.0000000 2.4241711 0.0000000 0.0000000 0.0000000 2.4555503 12 Mg 1.7790897 0.0000000 0.0000000 0.0000000 2.4241711 0.0000000 0.0000000 0.0000000 2.4555503 13 Ti 5.9988930 0.0000000 0.0000000 0.0000000 5.4152782 -0.4509464 0.0000000 -1.1145853 4.5912730 14 Ti 5.9988930 0.0000000 0.0000000 0.0000000 5.4152782 -0.4509464 0.0000000 -1.1145853 4.5912730 15 Ti 5.9988930 0.0000000 0.0000000 0.0000000 5.4152782 0.4509464 0.0000000 1.1145853 4.5912730 16 Ti 5.9988930 0.0000000 0.0000000 0.0000000 5.4152782 0.4509464 0.0000000 1.1145853 4.5912730 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 8652/8652 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1000 Number of blocks in projector: 1000 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: 240 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 120 Use standard eigh solver. Tree of FC basis block matrices: - (1000, 979), data: False |-- (120, 120), data: True |-- (136, 136), data: True |-- (168, 163), data: True |-- (168, 163), data: True |-- (168, 163), data: True |-- (240, 234), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.014 Solver_block: 100 / 240 - Time: 0.895 Solver_block: 200 / 240 - Time: 0.937 Solver_block: 240 / 240 - Time: 0.424 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.296 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 288/288 Permutation basis: 8652/8652 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1000 Number of blocks in projector: 1000 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: 240 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 120 Use standard eigh solver. Tree of FC basis block matrices: - (1000, 979), data: False |-- (120, 120), data: True |-- (136, 136), data: True |-- (168, 163), data: True |-- (168, 163), data: True |-- (168, 163), data: True |-- (240, 234), 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 2026-01-08 06:53:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:53:04]------------------------- 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): [3 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.865622570000000 -4.863840785000000 0.000000000000000 b 1.865622570000000 4.863840785000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.006202419999999 Atomic positions (fractional): 1 O 0.68651134414432 0.31348865585568 0.56176006068198 15.999 2 O 0.31348865585568 0.68651134414432 0.43823993931802 15.999 3 O 0.31348865585568 0.68651134414432 0.06176006068198 15.999 4 O 0.68651134414432 0.31348865585568 0.93823993931802 15.999 5 O 0.95342551994193 0.04657448005807 0.61322445970280 15.999 6 O 0.04657448005807 0.95342551994193 0.38677554029720 15.999 7 O 0.21546383489254 0.78453616510746 0.75000000000000 15.999 8 O 0.78453616510746 0.21546383489254 0.25000000000000 15.999 9 O 0.95342551994193 0.04657448005807 0.88677554029720 15.999 10 O 0.04657448005807 0.95342551994193 0.11322445970280 15.999 11 Mg 0.80295656782904 0.19704343217096 0.75000000000000 24.305 12 Mg 0.19704343217096 0.80295656782904 0.25000000000000 24.305 13 Ti 0.13303852556974 0.86696147443026 0.56649088343934 47.867 14 Ti 0.86696147443026 0.13303852556974 0.43350911656066 47.867 15 Ti 0.13303852556974 0.86696147443026 0.93350911656066 47.867 16 Ti 0.86696147443026 0.13303852556974 0.06649088343934 47.867 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.193735419999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.727681570000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.006202419999999 Atomic positions (fractional): 1 O 0.00000000000000 0.31348865585568 0.56176006068198 15.999 > 1 2 O 0.33333333333333 0.31348865585568 0.56176006068198 15.999 > 1 3 O 0.66666666666667 0.31348865585568 0.56176006068198 15.999 > 1 4 O 0.16666666666667 0.18651134414432 0.43823993931802 15.999 > 4 5 O 0.50000000000000 0.18651134414432 0.43823993931802 15.999 > 4 6 O 0.83333333333333 0.18651134414432 0.43823993931802 15.999 > 4 7 O 0.16666666666667 0.18651134414432 0.06176006068198 15.999 > 7 8 O 0.50000000000000 0.18651134414432 0.06176006068198 15.999 > 7 9 O 0.83333333333333 0.18651134414432 0.06176006068198 15.999 > 7 10 O 0.00000000000000 0.31348865585568 0.93823993931802 15.999 > 10 11 O 0.33333333333333 0.31348865585568 0.93823993931802 15.999 > 10 12 O 0.66666666666667 0.31348865585568 0.93823993931802 15.999 > 10 13 O 0.00000000000000 0.04657448005807 0.61322445970280 15.999 > 13 14 O 0.33333333333333 0.04657448005807 0.61322445970280 15.999 > 13 15 O 0.66666666666667 0.04657448005807 0.61322445970280 15.999 > 13 16 O 0.16666666666667 0.45342551994193 0.38677554029720 15.999 > 16 17 O 0.50000000000000 0.45342551994193 0.38677554029720 15.999 > 16 18 O 0.83333333333333 0.45342551994193 0.38677554029720 15.999 > 16 19 O 0.16666666666667 0.28453616510746 0.75000000000000 15.999 > 19 20 O 0.50000000000000 0.28453616510746 0.75000000000000 15.999 > 19 21 O 0.83333333333333 0.28453616510746 0.75000000000000 15.999 > 19 22 O 0.00000000000000 0.21546383489254 0.25000000000000 15.999 > 22 23 O 0.33333333333333 0.21546383489254 0.25000000000000 15.999 > 22 24 O 0.66666666666667 0.21546383489254 0.25000000000000 15.999 > 22 25 O 0.00000000000000 0.04657448005807 0.88677554029720 15.999 > 25 26 O 0.33333333333333 0.04657448005807 0.88677554029720 15.999 > 25 27 O 0.66666666666667 0.04657448005807 0.88677554029720 15.999 > 25 28 O 0.16666666666667 0.45342551994193 0.11322445970280 15.999 > 28 29 O 0.50000000000000 0.45342551994193 0.11322445970280 15.999 > 28 30 O 0.83333333333333 0.45342551994193 0.11322445970280 15.999 > 28 31 O 0.16666666666667 0.81348865585568 0.56176006068198 15.999 > 1 32 O 0.50000000000000 0.81348865585568 0.56176006068198 15.999 > 1 33 O 0.83333333333333 0.81348865585568 0.56176006068198 15.999 > 1 34 O 0.00000000000000 0.68651134414432 0.43823993931802 15.999 > 4 35 O 0.33333333333333 0.68651134414432 0.43823993931802 15.999 > 4 36 O 0.66666666666667 0.68651134414432 0.43823993931802 15.999 > 4 37 O 0.00000000000000 0.68651134414432 0.06176006068198 15.999 > 7 38 O 0.33333333333333 0.68651134414432 0.06176006068198 15.999 > 7 39 O 0.66666666666667 0.68651134414432 0.06176006068198 15.999 > 7 40 O 0.16666666666667 0.81348865585568 0.93823993931802 15.999 > 10 41 O 0.50000000000000 0.81348865585568 0.93823993931802 15.999 > 10 42 O 0.83333333333333 0.81348865585568 0.93823993931802 15.999 > 10 43 O 0.16666666666667 0.54657448005807 0.61322445970280 15.999 > 13 44 O 0.50000000000000 0.54657448005807 0.61322445970280 15.999 > 13 45 O 0.83333333333333 0.54657448005807 0.61322445970280 15.999 > 13 46 O 0.00000000000000 0.95342551994193 0.38677554029720 15.999 > 16 47 O 0.33333333333333 0.95342551994193 0.38677554029720 15.999 > 16 48 O 0.66666666666667 0.95342551994193 0.38677554029720 15.999 > 16 49 O 0.00000000000000 0.78453616510747 0.75000000000000 15.999 > 19 50 O 0.33333333333333 0.78453616510747 0.75000000000000 15.999 > 19 51 O 0.66666666666667 0.78453616510747 0.75000000000000 15.999 > 19 52 O 0.16666666666667 0.71546383489253 0.25000000000000 15.999 > 22 53 O 0.50000000000000 0.71546383489253 0.25000000000000 15.999 > 22 54 O 0.83333333333333 0.71546383489253 0.25000000000000 15.999 > 22 55 O 0.16666666666667 0.54657448005807 0.88677554029720 15.999 > 25 56 O 0.50000000000000 0.54657448005807 0.88677554029720 15.999 > 25 57 O 0.83333333333333 0.54657448005807 0.88677554029720 15.999 > 25 58 O 0.00000000000000 0.95342551994193 0.11322445970280 15.999 > 28 59 O 0.33333333333333 0.95342551994193 0.11322445970280 15.999 > 28 60 O 0.66666666666667 0.95342551994193 0.11322445970280 15.999 > 28 61 Mg 0.00000000000000 0.19704343217096 0.75000000000000 24.305 > 61 62 Mg 0.33333333333333 0.19704343217096 0.75000000000000 24.305 > 61 63 Mg 0.66666666666667 0.19704343217096 0.75000000000000 24.305 > 61 64 Mg 0.16666666666667 0.30295656782904 0.25000000000000 24.305 > 64 65 Mg 0.50000000000000 0.30295656782904 0.25000000000000 24.305 > 64 66 Mg 0.83333333333333 0.30295656782904 0.25000000000000 24.305 > 64 67 Mg 0.16666666666667 0.69704343217096 0.75000000000000 24.305 > 61 68 Mg 0.50000000000000 0.69704343217096 0.75000000000000 24.305 > 61 69 Mg 0.83333333333333 0.69704343217096 0.75000000000000 24.305 > 61 70 Mg 0.00000000000000 0.80295656782904 0.25000000000000 24.305 > 64 71 Mg 0.33333333333333 0.80295656782904 0.25000000000000 24.305 > 64 72 Mg 0.66666666666667 0.80295656782904 0.25000000000000 24.305 > 64 73 Ti 0.16666666666667 0.36696147443026 0.56649088343934 47.867 > 73 74 Ti 0.50000000000000 0.36696147443026 0.56649088343934 47.867 > 73 75 Ti 0.83333333333333 0.36696147443026 0.56649088343934 47.867 > 73 76 Ti 0.00000000000000 0.13303852556974 0.43350911656066 47.867 > 76 77 Ti 0.33333333333333 0.13303852556974 0.43350911656066 47.867 > 76 78 Ti 0.66666666666667 0.13303852556974 0.43350911656066 47.867 > 76 79 Ti 0.16666666666667 0.36696147443026 0.93350911656066 47.867 > 79 80 Ti 0.50000000000000 0.36696147443026 0.93350911656066 47.867 > 79 81 Ti 0.83333333333333 0.36696147443026 0.93350911656066 47.867 > 79 82 Ti 0.00000000000000 0.13303852556974 0.06649088343934 47.867 > 82 83 Ti 0.33333333333333 0.13303852556974 0.06649088343934 47.867 > 82 84 Ti 0.66666666666667 0.13303852556974 0.06649088343934 47.867 > 82 85 Ti 0.00000000000000 0.86696147443026 0.56649088343934 47.867 > 73 86 Ti 0.33333333333333 0.86696147443026 0.56649088343934 47.867 > 73 87 Ti 0.66666666666667 0.86696147443026 0.56649088343934 47.867 > 73 88 Ti 0.16666666666667 0.63303852556974 0.43350911656066 47.867 > 76 89 Ti 0.50000000000000 0.63303852556974 0.43350911656066 47.867 > 76 90 Ti 0.83333333333333 0.63303852556974 0.43350911656066 47.867 > 76 91 Ti 0.00000000000000 0.86696147443026 0.93350911656066 47.867 > 79 92 Ti 0.33333333333333 0.86696147443026 0.93350911656066 47.867 > 79 93 Ti 0.66666666666667 0.86696147443026 0.93350911656066 47.867 > 79 94 Ti 0.16666666666667 0.63303852556974 0.06649088343934 47.867 > 82 95 Ti 0.50000000000000 0.63303852556974 0.06649088343934 47.867 > 82 96 Ti 0.83333333333333 0.63303852556974 0.06649088343934 47.867 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.5412719 0.0000000 0.0000000 0.0000000 5.2208541 0.0000000 0.0000000 0.0000000 4.8845434 -------------------------- Born effective charges -------------------------- 1 O -4.9859221 0.0000000 0.0000000 0.0000000 -2.1959091 -0.4745672 0.0000000 -0.2511331 -1.5193790 2 O -4.9859221 0.0000000 0.0000000 0.0000000 -2.1959091 -0.4745672 0.0000000 -0.2511331 -1.5193790 3 O -4.9859221 0.0000000 0.0000000 0.0000000 -2.1959091 0.4745672 0.0000000 0.2511331 -1.5193790 4 O -4.9859221 0.0000000 0.0000000 0.0000000 -2.1959091 0.4745672 0.0000000 0.2511331 -1.5193790 5 O -0.9430731 0.0000000 0.0000000 0.0000000 -3.5987953 0.3355444 0.0000000 0.4169239 -2.0902396 6 O -0.9430731 0.0000000 0.0000000 0.0000000 -3.5987953 0.3355444 0.0000000 0.4169239 -2.0902396 7 O -1.9188854 0.0000000 0.0000000 0.0000000 -1.6653188 0.0000000 0.0000000 0.0000000 -4.4188592 8 O -1.9188854 0.0000000 0.0000000 0.0000000 -1.6653188 0.0000000 0.0000000 0.0000000 -4.4188592 9 O -0.9430731 0.0000000 0.0000000 0.0000000 -3.5987953 -0.3355444 0.0000000 -0.4169239 -2.0902396 10 O -0.9430731 0.0000000 0.0000000 0.0000000 -3.5987953 -0.3355444 0.0000000 -0.4169239 -2.0902396 11 Mg 1.7790897 0.0000000 0.0000000 0.0000000 2.4241711 0.0000000 0.0000000 0.0000000 2.4555503 12 Mg 1.7790897 0.0000000 0.0000000 0.0000000 2.4241711 0.0000000 0.0000000 0.0000000 2.4555503 13 Ti 5.9988930 0.0000000 0.0000000 0.0000000 5.4152782 -0.4509464 0.0000000 -1.1145853 4.5912730 14 Ti 5.9988930 0.0000000 0.0000000 0.0000000 5.4152782 -0.4509464 0.0000000 -1.1145853 4.5912730 15 Ti 5.9988930 0.0000000 0.0000000 0.0000000 5.4152782 0.4509464 0.0000000 1.1145853 4.5912730 16 Ti 5.9988930 0.0000000 0.0000000 0.0000000 5.4152782 0.4509464 0.0000000 1.1145853 4.5912730 ---------------------------------------------------------------------------- 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[ 13, 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[ 19, 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[ 61, 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[ 73, 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: 0.00000002 (xyx) 0.00000002 (xyx) 0.00000002 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:53:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:53:17]------------------------- 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): [3 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.865622570000000 -4.863840785000000 0.000000000000000 b 1.865622570000000 4.863840785000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.006202419999999 Atomic positions (fractional): 1 O 0.68651134414432 0.31348865585568 0.56176006068198 15.999 2 O 0.31348865585568 0.68651134414432 0.43823993931802 15.999 3 O 0.31348865585568 0.68651134414432 0.06176006068198 15.999 4 O 0.68651134414432 0.31348865585568 0.93823993931802 15.999 5 O 0.95342551994193 0.04657448005807 0.61322445970280 15.999 6 O 0.04657448005807 0.95342551994193 0.38677554029720 15.999 7 O 0.21546383489254 0.78453616510746 0.75000000000000 15.999 8 O 0.78453616510746 0.21546383489254 0.25000000000000 15.999 9 O 0.95342551994193 0.04657448005807 0.88677554029720 15.999 10 O 0.04657448005807 0.95342551994193 0.11322445970280 15.999 11 Mg 0.80295656782904 0.19704343217096 0.75000000000000 24.305 12 Mg 0.19704343217096 0.80295656782904 0.25000000000000 24.305 13 Ti 0.13303852556974 0.86696147443026 0.56649088343934 47.867 14 Ti 0.86696147443026 0.13303852556974 0.43350911656066 47.867 15 Ti 0.13303852556974 0.86696147443026 0.93350911656066 47.867 16 Ti 0.86696147443026 0.13303852556974 0.06649088343934 47.867 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.193735419999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.727681570000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.006202419999999 Atomic positions (fractional): 1 O 0.00000000000000 0.31348865585568 0.56176006068198 15.999 > 1 2 O 0.33333333333333 0.31348865585568 0.56176006068198 15.999 > 1 3 O 0.66666666666667 0.31348865585568 0.56176006068198 15.999 > 1 4 O 0.16666666666667 0.18651134414432 0.43823993931802 15.999 > 4 5 O 0.50000000000000 0.18651134414432 0.43823993931802 15.999 > 4 6 O 0.83333333333333 0.18651134414432 0.43823993931802 15.999 > 4 7 O 0.16666666666667 0.18651134414432 0.06176006068198 15.999 > 7 8 O 0.50000000000000 0.18651134414432 0.06176006068198 15.999 > 7 9 O 0.83333333333333 0.18651134414432 0.06176006068198 15.999 > 7 10 O 0.00000000000000 0.31348865585568 0.93823993931802 15.999 > 10 11 O 0.33333333333333 0.31348865585568 0.93823993931802 15.999 > 10 12 O 0.66666666666667 0.31348865585568 0.93823993931802 15.999 > 10 13 O 0.00000000000000 0.04657448005807 0.61322445970280 15.999 > 13 14 O 0.33333333333333 0.04657448005807 0.61322445970280 15.999 > 13 15 O 0.66666666666667 0.04657448005807 0.61322445970280 15.999 > 13 16 O 0.16666666666667 0.45342551994193 0.38677554029720 15.999 > 16 17 O 0.50000000000000 0.45342551994193 0.38677554029720 15.999 > 16 18 O 0.83333333333333 0.45342551994193 0.38677554029720 15.999 > 16 19 O 0.16666666666667 0.28453616510746 0.75000000000000 15.999 > 19 20 O 0.50000000000000 0.28453616510746 0.75000000000000 15.999 > 19 21 O 0.83333333333333 0.28453616510746 0.75000000000000 15.999 > 19 22 O 0.00000000000000 0.21546383489254 0.25000000000000 15.999 > 22 23 O 0.33333333333333 0.21546383489254 0.25000000000000 15.999 > 22 24 O 0.66666666666667 0.21546383489254 0.25000000000000 15.999 > 22 25 O 0.00000000000000 0.04657448005807 0.88677554029720 15.999 > 25 26 O 0.33333333333333 0.04657448005807 0.88677554029720 15.999 > 25 27 O 0.66666666666667 0.04657448005807 0.88677554029720 15.999 > 25 28 O 0.16666666666667 0.45342551994193 0.11322445970280 15.999 > 28 29 O 0.50000000000000 0.45342551994193 0.11322445970280 15.999 > 28 30 O 0.83333333333333 0.45342551994193 0.11322445970280 15.999 > 28 31 O 0.16666666666667 0.81348865585568 0.56176006068198 15.999 > 1 32 O 0.50000000000000 0.81348865585568 0.56176006068198 15.999 > 1 33 O 0.83333333333333 0.81348865585568 0.56176006068198 15.999 > 1 34 O 0.00000000000000 0.68651134414432 0.43823993931802 15.999 > 4 35 O 0.33333333333333 0.68651134414432 0.43823993931802 15.999 > 4 36 O 0.66666666666667 0.68651134414432 0.43823993931802 15.999 > 4 37 O 0.00000000000000 0.68651134414432 0.06176006068198 15.999 > 7 38 O 0.33333333333333 0.68651134414432 0.06176006068198 15.999 > 7 39 O 0.66666666666667 0.68651134414432 0.06176006068198 15.999 > 7 40 O 0.16666666666667 0.81348865585568 0.93823993931802 15.999 > 10 41 O 0.50000000000000 0.81348865585568 0.93823993931802 15.999 > 10 42 O 0.83333333333333 0.81348865585568 0.93823993931802 15.999 > 10 43 O 0.16666666666667 0.54657448005807 0.61322445970280 15.999 > 13 44 O 0.50000000000000 0.54657448005807 0.61322445970280 15.999 > 13 45 O 0.83333333333333 0.54657448005807 0.61322445970280 15.999 > 13 46 O 0.00000000000000 0.95342551994193 0.38677554029720 15.999 > 16 47 O 0.33333333333333 0.95342551994193 0.38677554029720 15.999 > 16 48 O 0.66666666666667 0.95342551994193 0.38677554029720 15.999 > 16 49 O 0.00000000000000 0.78453616510747 0.75000000000000 15.999 > 19 50 O 0.33333333333333 0.78453616510747 0.75000000000000 15.999 > 19 51 O 0.66666666666667 0.78453616510747 0.75000000000000 15.999 > 19 52 O 0.16666666666667 0.71546383489253 0.25000000000000 15.999 > 22 53 O 0.50000000000000 0.71546383489253 0.25000000000000 15.999 > 22 54 O 0.83333333333333 0.71546383489253 0.25000000000000 15.999 > 22 55 O 0.16666666666667 0.54657448005807 0.88677554029720 15.999 > 25 56 O 0.50000000000000 0.54657448005807 0.88677554029720 15.999 > 25 57 O 0.83333333333333 0.54657448005807 0.88677554029720 15.999 > 25 58 O 0.00000000000000 0.95342551994193 0.11322445970280 15.999 > 28 59 O 0.33333333333333 0.95342551994193 0.11322445970280 15.999 > 28 60 O 0.66666666666667 0.95342551994193 0.11322445970280 15.999 > 28 61 Mg 0.00000000000000 0.19704343217096 0.75000000000000 24.305 > 61 62 Mg 0.33333333333333 0.19704343217096 0.75000000000000 24.305 > 61 63 Mg 0.66666666666667 0.19704343217096 0.75000000000000 24.305 > 61 64 Mg 0.16666666666667 0.30295656782904 0.25000000000000 24.305 > 64 65 Mg 0.50000000000000 0.30295656782904 0.25000000000000 24.305 > 64 66 Mg 0.83333333333333 0.30295656782904 0.25000000000000 24.305 > 64 67 Mg 0.16666666666667 0.69704343217096 0.75000000000000 24.305 > 61 68 Mg 0.50000000000000 0.69704343217096 0.75000000000000 24.305 > 61 69 Mg 0.83333333333333 0.69704343217096 0.75000000000000 24.305 > 61 70 Mg 0.00000000000000 0.80295656782904 0.25000000000000 24.305 > 64 71 Mg 0.33333333333333 0.80295656782904 0.25000000000000 24.305 > 64 72 Mg 0.66666666666667 0.80295656782904 0.25000000000000 24.305 > 64 73 Ti 0.16666666666667 0.36696147443026 0.56649088343934 47.867 > 73 74 Ti 0.50000000000000 0.36696147443026 0.56649088343934 47.867 > 73 75 Ti 0.83333333333333 0.36696147443026 0.56649088343934 47.867 > 73 76 Ti 0.00000000000000 0.13303852556974 0.43350911656066 47.867 > 76 77 Ti 0.33333333333333 0.13303852556974 0.43350911656066 47.867 > 76 78 Ti 0.66666666666667 0.13303852556974 0.43350911656066 47.867 > 76 79 Ti 0.16666666666667 0.36696147443026 0.93350911656066 47.867 > 79 80 Ti 0.50000000000000 0.36696147443026 0.93350911656066 47.867 > 79 81 Ti 0.83333333333333 0.36696147443026 0.93350911656066 47.867 > 79 82 Ti 0.00000000000000 0.13303852556974 0.06649088343934 47.867 > 82 83 Ti 0.33333333333333 0.13303852556974 0.06649088343934 47.867 > 82 84 Ti 0.66666666666667 0.13303852556974 0.06649088343934 47.867 > 82 85 Ti 0.00000000000000 0.86696147443026 0.56649088343934 47.867 > 73 86 Ti 0.33333333333333 0.86696147443026 0.56649088343934 47.867 > 73 87 Ti 0.66666666666667 0.86696147443026 0.56649088343934 47.867 > 73 88 Ti 0.16666666666667 0.63303852556974 0.43350911656066 47.867 > 76 89 Ti 0.50000000000000 0.63303852556974 0.43350911656066 47.867 > 76 90 Ti 0.83333333333333 0.63303852556974 0.43350911656066 47.867 > 76 91 Ti 0.00000000000000 0.86696147443026 0.93350911656066 47.867 > 79 92 Ti 0.33333333333333 0.86696147443026 0.93350911656066 47.867 > 79 93 Ti 0.66666666666667 0.86696147443026 0.93350911656066 47.867 > 79 94 Ti 0.16666666666667 0.63303852556974 0.06649088343934 47.867 > 82 95 Ti 0.50000000000000 0.63303852556974 0.06649088343934 47.867 > 82 96 Ti 0.83333333333333 0.63303852556974 0.06649088343934 47.867 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.5412719 0.0000000 0.0000000 0.0000000 5.2208541 0.0000000 0.0000000 0.0000000 4.8845434 -------------------------- Born effective charges -------------------------- 1 O -4.9859221 0.0000000 0.0000000 0.0000000 -2.1959091 -0.4745672 0.0000000 -0.2511331 -1.5193790 2 O -4.9859221 0.0000000 0.0000000 0.0000000 -2.1959091 -0.4745672 0.0000000 -0.2511331 -1.5193790 3 O -4.9859221 0.0000000 0.0000000 0.0000000 -2.1959091 0.4745672 0.0000000 0.2511331 -1.5193790 4 O -4.9859221 0.0000000 0.0000000 0.0000000 -2.1959091 0.4745672 0.0000000 0.2511331 -1.5193790 5 O -0.9430731 0.0000000 0.0000000 0.0000000 -3.5987953 0.3355444 0.0000000 0.4169239 -2.0902396 6 O -0.9430731 0.0000000 0.0000000 0.0000000 -3.5987953 0.3355444 0.0000000 0.4169239 -2.0902396 7 O -1.9188854 0.0000000 0.0000000 0.0000000 -1.6653188 0.0000000 0.0000000 0.0000000 -4.4188592 8 O -1.9188854 0.0000000 0.0000000 0.0000000 -1.6653188 0.0000000 0.0000000 0.0000000 -4.4188592 9 O -0.9430731 0.0000000 0.0000000 0.0000000 -3.5987953 -0.3355444 0.0000000 -0.4169239 -2.0902396 10 O -0.9430731 0.0000000 0.0000000 0.0000000 -3.5987953 -0.3355444 0.0000000 -0.4169239 -2.0902396 11 Mg 1.7790897 0.0000000 0.0000000 0.0000000 2.4241711 0.0000000 0.0000000 0.0000000 2.4555503 12 Mg 1.7790897 0.0000000 0.0000000 0.0000000 2.4241711 0.0000000 0.0000000 0.0000000 2.4555503 13 Ti 5.9988930 0.0000000 0.0000000 0.0000000 5.4152782 -0.4509464 0.0000000 -1.1145853 4.5912730 14 Ti 5.9988930 0.0000000 0.0000000 0.0000000 5.4152782 -0.4509464 0.0000000 -1.1145853 4.5912730 15 Ti 5.9988930 0.0000000 0.0000000 0.0000000 5.4152782 0.4509464 0.0000000 1.1145853 4.5912730 16 Ti 5.9988930 0.0000000 0.0000000 0.0000000 5.4152782 0.4509464 0.0000000 1.1145853 4.5912730 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (xyx) 0.00000002 (xyx) 0.00000002 (xxy) 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 ... [ 14 14 5 ] 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: 0.73, Number of G-points: 303, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/171) ======================= 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 171 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 3.428 ( 0.000 0.000 0.000) 0.000 3.661 ( 0.000 0.000 0.000) 0.000 4.286 ( 0.000 0.000 0.000) 0.000 4.408 ( 0.000 0.000 0.000) 0.000 5.591 ( 0.000 0.000 0.000) 0.000 5.854 ( 0.000 0.000 0.000) 0.000 6.017 ( 0.000 0.000 0.000) 0.000 6.127 ( 0.000 0.000 0.000) 0.000 6.311 ( 0.000 0.000 0.000) 0.000 7.280 ( 0.000 0.000 0.000) 0.000 7.297 ( 0.000 0.000 0.000) 0.000 7.338 ( 0.000 0.000 0.000) 0.000 8.045 ( 0.000 0.000 0.000) 0.000 8.071 ( 0.000 0.000 0.000) 0.000 8.182 ( 0.000 0.000 0.000) 0.000 8.244 ( 0.000 0.000 0.000) 0.000 8.288 ( 0.000 0.000 0.000) 0.000 8.656 ( 0.000 0.000 0.000) 0.000 8.953 ( 0.000 0.000 0.000) 0.000 9.693 ( 0.000 0.000 0.000) 0.000 9.807 ( 0.000 0.000 0.000) 0.000 10.959 ( 0.000 0.000 0.000) 0.000 11.067 ( 0.000 0.000 0.000) 0.000 11.136 ( 0.000 0.000 0.000) 0.000 11.866 ( 0.000 0.000 0.000) 0.000 12.650 ( 0.000 0.000 0.000) 0.000 12.690 ( 0.000 0.000 0.000) 0.000 13.037 ( 0.000 0.000 0.000) 0.000 13.549 ( 0.000 0.000 0.000) 0.000 13.625 ( 0.000 0.000 0.000) 0.000 13.973 ( 0.000 0.000 0.000) 0.000 14.313 ( 0.000 0.000 0.000) 0.000 14.342 ( 0.000 0.000 0.000) 0.000 14.384 ( 0.000 0.000 0.000) 0.000 15.308 ( 0.000 0.000 0.000) 0.000 16.400 ( 0.000 0.000 0.000) 0.000 16.994 ( 0.000 0.000 0.000) 0.000 17.986 ( 0.000 0.000 0.000) 0.000 18.582 ( 0.000 0.000 0.000) 0.000 18.767 ( 0.000 0.000 0.000) 0.000 19.240 ( 0.000 0.000 0.000) 0.000 21.745 ( 0.000 0.000 0.000) 0.000 22.562 ( 0.000 0.000 0.000) 0.000 23.033 ( 0.000 0.000 0.000) 0.000 23.381 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/171) ======================= q-point: ( 0.07 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( 32.980 -20.139 0.000) 38.643 0.940 ( 42.873 -13.433 0.000) 44.928 1.759 ( 81.319 -23.829 0.000) 84.738 3.563 ( 13.105 -0.193 0.000) 13.106 3.737 ( 6.614 -5.677 0.000) 8.716 4.386 ( -5.580 0.441 0.000) 5.598 4.445 ( 12.329 -1.007 0.000) 12.370 5.573 ( 1.247 5.760 0.000) 5.893 5.962 ( 3.327 9.576 0.000) 10.137 6.091 ( 19.434 8.786 0.000) 21.328 6.200 ( 13.595 -2.957 0.000) 13.913 6.560 ( 22.402 -6.223 0.000) 23.250 7.328 ( 5.777 2.803 0.000) 6.421 7.409 ( -11.245 2.977 0.000) 11.633 7.683 ( 30.768 -1.037 0.000) 30.785 7.905 ( -6.701 -2.481 0.000) 7.145 8.124 ( 0.697 4.359 0.000) 4.414 8.211 ( 4.196 0.457 0.000) 4.221 8.468 ( 12.514 -5.831 0.000) 13.806 8.612 ( 16.566 11.290 0.000) 20.047 9.085 ( 14.746 0.447 0.000) 14.753 9.195 ( 0.585 -24.510 0.000) 24.517 9.793 ( 7.724 -0.328 0.000) 7.731 9.907 ( -6.289 -26.528 0.000) 27.263 10.906 ( -4.330 2.164 0.000) 4.841 11.071 ( 2.203 4.615 0.000) 5.114 11.117 ( -3.553 -2.617 0.000) 4.413 11.682 ( -17.898 -2.857 0.000) 18.125 12.538 ( -12.925 15.829 0.000) 20.436 12.807 ( -19.615 -12.351 0.000) 23.179 13.420 ( -4.991 8.021 0.000) 9.447 13.611 ( -5.514 -7.095 0.000) 8.986 14.069 ( 5.176 -0.294 0.000) 5.184 14.294 ( -2.002 -0.343 0.000) 2.031 14.317 ( -2.344 0.664 0.000) 2.437 14.501 ( 8.970 1.390 0.000) 9.077 15.253 ( -4.640 -0.349 0.000) 4.653 16.002 ( 7.328 3.125 0.000) 7.967 16.508 ( -38.004 1.087 0.000) 38.020 17.862 ( -32.591 11.569 0.000) 34.583 18.374 ( 28.440 2.939 0.000) 28.591 19.514 ( 44.450 5.195 0.000) 44.752 19.545 ( 33.886 9.606 0.000) 35.221 21.737 ( 64.330 167.757 0.000) 179.668 21.867 ( 8.241 -10.307 0.000) 13.197 23.067 ( 2.945 -2.222 0.000) 3.689 23.383 ( -1.719 -4.989 0.000) 5.277 25.100 ( -40.133 -93.108 0.000) 101.389 ======================= Grid point 2 (3/171) ======================= q-point: ( 0.14 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 34.843 -17.803 0.000) 39.128 1.820 ( 38.180 -13.879 0.000) 40.625 3.431 ( 73.082 -26.442 0.000) 77.719 3.844 ( 14.630 2.306 0.000) 14.811 4.046 ( 19.356 -11.935 0.000) 22.740 4.156 ( -15.625 -0.161 0.000) 15.626 4.652 ( 8.112 -0.674 0.000) 8.140 5.592 ( 7.951 15.046 0.000) 17.018 6.027 ( 5.770 -4.634 0.000) 7.401 6.068 ( -7.022 10.332 0.000) 12.492 6.896 ( 43.196 7.020 0.000) 43.762 7.117 ( 4.829 6.751 0.000) 8.300 7.310 ( 28.251 5.924 0.000) 28.865 7.462 ( 9.134 -3.898 0.000) 9.931 7.927 ( 6.307 -9.988 0.000) 11.813 8.056 ( 1.893 -0.717 0.000) 2.024 8.347 ( 26.105 -12.917 0.000) 29.126 8.381 ( 14.943 1.747 0.000) 15.045 8.762 ( 13.832 -9.241 0.000) 16.635 8.892 ( 15.195 -5.597 0.000) 16.193 9.504 ( 21.708 10.838 0.000) 24.263 9.512 ( 31.435 6.543 0.000) 32.108 9.905 ( 5.063 -8.274 0.000) 9.700 10.101 ( 10.383 -9.743 0.000) 14.238 10.792 ( -3.851 3.816 0.000) 5.421 11.050 ( -5.045 -2.666 0.000) 5.706 11.062 ( 0.291 10.005 0.000) 10.010 11.386 ( -11.247 -8.458 0.000) 14.072 12.051 ( -21.257 10.252 0.000) 23.600 12.577 ( -15.594 -11.621 0.000) 19.447 13.276 ( -4.860 8.387 0.000) 9.693 13.532 ( -7.205 -5.203 0.000) 8.887 14.087 ( -3.699 -0.488 0.000) 3.731 14.241 ( -4.872 1.786 0.000) 5.189 14.252 ( -2.711 -1.777 0.000) 3.242 14.590 ( 3.238 8.839 0.000) 9.413 15.192 ( -3.415 -5.980 0.000) 6.886 15.737 ( -39.228 2.698 0.000) 39.321 16.134 ( 9.473 6.665 0.000) 11.582 17.251 ( -22.925 9.764 0.000) 24.918 18.811 ( 21.594 10.822 0.000) 24.154 20.215 ( 33.049 10.710 0.000) 34.741 20.265 ( 43.726 8.211 0.000) 44.490 21.771 ( 35.140 79.398 0.000) 86.826 22.169 ( 13.206 -11.808 0.000) 17.715 23.195 ( 7.648 -6.250 0.000) 9.876 23.387 ( -2.950 -8.390 0.000) 8.894 24.979 ( -26.342 -47.735 0.000) 54.521 ======================= Grid point 3 (4/171) ======================= q-point: ( 0.21 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( 32.624 -12.984 0.000) 35.113 2.591 ( 31.363 -13.961 0.000) 34.330 3.901 ( -10.032 -4.345 0.000) 10.932 4.085 ( 13.965 6.368 0.000) 15.349 4.527 ( 16.977 -6.794 0.000) 18.286 4.838 ( 12.988 -7.291 0.000) 14.895 4.895 ( 55.470 -31.006 0.000) 63.547 5.648 ( 11.034 17.015 0.000) 20.279 5.750 ( -16.809 7.437 0.000) 18.381 6.256 ( 12.378 -9.125 0.000) 15.377 6.972 ( -7.849 0.586 0.000) 7.871 7.249 ( 6.217 11.005 0.000) 12.639 7.579 ( 6.961 23.324 0.000) 24.341 7.784 ( 10.879 -7.250 0.000) 13.073 8.459 ( 35.441 -21.555 0.000) 41.481 8.495 ( 22.087 -11.519 0.000) 24.910 8.750 ( 26.767 6.925 0.000) 27.648 8.781 ( 16.996 -18.603 0.000) 25.198 9.156 ( 19.985 -7.608 0.000) 21.384 9.297 ( 18.630 5.416 0.000) 19.401 9.691 ( 13.029 12.544 0.000) 18.086 10.112 ( 33.950 10.418 0.000) 35.513 10.153 ( 8.397 -2.431 0.000) 8.741 10.476 ( 26.872 -1.177 0.000) 26.897 10.769 ( 5.776 5.360 0.000) 7.880 10.954 ( 1.767 8.196 0.000) 8.384 11.008 ( 0.804 -4.642 0.000) 4.711 11.511 ( 17.230 -5.329 0.000) 18.035 11.743 ( -5.204 -3.204 0.000) 6.111 12.368 ( -13.081 -8.094 0.000) 15.383 13.086 ( -8.778 7.069 0.000) 11.271 13.403 ( -9.186 -1.036 0.000) 9.244 13.957 ( -9.764 -0.943 0.000) 9.810 14.097 ( -7.846 4.334 0.000) 8.964 14.235 ( -0.781 -3.582 0.000) 3.666 14.536 ( 1.490 13.193 0.000) 13.276 15.003 ( -34.572 3.686 0.000) 34.768 15.190 ( -3.831 -9.496 0.000) 10.240 16.250 ( 8.434 9.014 0.000) 12.345 16.837 ( -13.933 7.008 0.000) 15.597 19.053 ( 13.880 14.127 0.000) 19.805 20.579 ( 16.982 19.877 0.000) 26.144 20.967 ( 32.211 3.860 0.000) 32.442 21.940 ( 28.427 41.893 0.000) 50.628 22.498 ( 14.103 -5.226 0.000) 15.040 23.397 ( -2.840 -9.617 0.000) 10.027 23.445 ( 10.940 -10.357 0.000) 15.065 24.802 ( -23.064 -33.333 0.000) 40.534 ======================= Grid point 4 (5/171) ======================= q-point: ( 0.29 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.949 ( 23.789 -7.882 0.000) 25.061 3.216 ( 23.487 -13.059 0.000) 26.873 3.896 ( 4.689 -9.740 0.000) 10.810 4.275 ( 11.973 10.328 0.000) 15.812 4.709 ( 5.726 3.900 0.000) 6.928 5.169 ( 2.273 -4.072 0.000) 4.663 5.484 ( -1.553 -6.887 0.000) 7.060 5.731 ( 14.135 10.000 0.000) 17.315 5.935 ( 21.619 -24.357 0.000) 32.567 6.632 ( 19.655 -8.490 0.000) 21.410 6.856 ( -3.646 -1.722 0.000) 4.032 7.311 ( 9.840 3.838 0.000) 10.562 7.566 ( 10.100 14.626 0.000) 17.775 7.938 ( -1.252 -16.367 0.000) 16.414 8.608 ( -12.195 -18.584 0.000) 22.228 9.207 ( 27.912 -7.137 0.000) 28.810 9.289 ( 31.246 5.105 0.000) 31.660 9.353 ( 25.367 8.852 0.000) 26.867 9.364 ( 0.102 8.851 0.000) 8.851 9.590 ( 19.571 -4.599 0.000) 20.104 9.929 ( 15.504 3.007 0.000) 15.793 10.230 ( 1.152 3.781 0.000) 3.953 10.466 ( 6.940 -0.075 0.000) 6.940 10.791 ( 1.891 7.465 0.000) 7.701 10.993 ( 21.779 2.422 0.000) 21.913 11.226 ( 34.297 15.576 0.000) 37.668 11.323 ( 27.044 -5.447 0.000) 27.587 11.944 ( 11.467 -14.618 0.000) 18.579 12.037 ( 31.998 1.980 0.000) 32.059 12.266 ( 4.263 -5.855 0.000) 7.242 12.879 ( -7.950 2.711 0.000) 8.400 13.217 ( -8.183 -1.327 0.000) 8.290 13.750 ( -11.908 -1.440 0.000) 11.995 13.898 ( -7.606 6.466 0.000) 9.983 14.266 ( -0.839 -1.935 0.000) 2.109 14.376 ( -25.771 2.710 0.000) 25.914 14.502 ( 5.031 11.616 0.000) 12.659 15.160 ( -5.412 -6.496 0.000) 8.455 16.316 ( 5.459 9.713 0.000) 11.142 16.615 ( -5.764 2.315 0.000) 6.212 19.158 ( 8.037 13.064 0.000) 15.338 20.634 ( 6.605 21.633 0.000) 22.619 21.414 ( 16.591 0.513 0.000) 16.598 22.183 ( 19.752 21.734 0.000) 29.369 22.787 ( 14.285 0.074 0.000) 14.285 23.426 ( -0.977 -8.491 0.000) 8.547 23.705 ( 6.878 -10.438 0.000) 12.500 24.596 ( -20.782 -25.838 0.000) 33.159 ======================= Grid point 5 (6/171) ======================= q-point: ( 0.36 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.357 ( 14.359 -6.178 0.000) 15.632 3.681 ( 15.911 -10.946 0.000) 19.313 4.182 ( 14.815 -11.300 0.000) 18.633 4.386 ( 7.270 9.334 0.000) 11.831 4.767 ( 4.724 6.217 0.000) 7.808 5.053 ( -6.540 -0.564 0.000) 6.565 5.626 ( 2.177 -5.881 0.000) 6.271 5.848 ( 8.843 17.975 0.000) 20.032 6.306 ( 3.760 -23.050 0.000) 23.355 6.795 ( 0.401 0.202 0.000) 0.449 7.074 ( 14.727 -3.393 0.000) 15.113 7.582 ( 14.557 -2.567 0.000) 14.782 7.769 ( 11.422 -2.229 0.000) 11.637 8.074 ( 4.849 -21.480 0.000) 22.021 8.434 ( -15.195 -10.050 0.000) 18.218 9.313 ( 1.501 1.925 0.000) 2.441 9.588 ( 11.818 12.015 0.000) 16.853 9.589 ( 7.051 -3.138 0.000) 7.718 9.837 ( 32.794 10.703 0.000) 34.497 9.962 ( 16.370 -4.432 0.000) 16.960 10.174 ( 0.330 8.413 0.000) 8.420 10.244 ( 14.347 -3.978 0.000) 14.888 10.546 ( 4.048 1.391 0.000) 4.280 10.668 ( -5.925 12.257 0.000) 13.614 11.385 ( 19.111 -1.261 0.000) 19.153 11.671 ( 15.960 14.304 0.000) 21.432 11.870 ( 8.906 -5.234 0.000) 10.331 11.961 ( 4.954 -2.725 0.000) 5.654 12.572 ( 29.273 6.746 0.000) 30.040 12.654 ( -15.438 2.018 0.000) 15.569 12.831 ( 33.187 -10.198 0.000) 34.719 13.224 ( -6.991 -11.503 0.000) 13.461 13.667 ( 13.194 -0.039 0.000) 13.194 13.755 ( -2.652 4.352 0.000) 5.096 13.868 ( -19.364 2.426 0.000) 19.516 14.349 ( 3.454 -0.132 0.000) 3.457 14.554 ( 7.429 8.657 0.000) 11.408 15.102 ( -2.788 -1.886 0.000) 3.365 16.331 ( 2.615 4.912 0.000) 5.564 16.561 ( 0.532 1.765 0.000) 1.844 19.186 ( 4.080 9.868 0.000) 10.678 20.567 ( 1.977 16.626 0.000) 16.743 21.627 ( 6.547 -0.715 0.000) 6.586 22.344 ( 9.378 10.523 0.000) 14.096 23.036 ( 12.201 2.079 0.000) 12.377 23.481 ( 1.234 -5.432 0.000) 5.570 23.833 ( -0.691 -8.295 0.000) 8.324 24.397 ( -16.971 -19.273 0.000) 25.680 ======================= Grid point 6 (7/171) ======================= q-point: ( 0.43 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.604 ( 7.581 -3.395 0.000) 8.307 3.991 ( 9.208 -7.660 0.000) 11.978 4.425 ( 2.515 4.925 0.000) 5.529 4.546 ( 12.665 -10.731 0.000) 16.600 4.805 ( 3.804 5.861 0.000) 6.987 4.982 ( -2.374 -1.615 0.000) 2.871 5.639 ( -1.581 -0.657 0.000) 1.712 5.803 ( 0.309 14.358 0.000) 14.362 6.528 ( 4.830 -14.356 0.000) 15.147 6.805 ( -0.041 -0.211 0.000) 0.215 7.314 ( 11.958 4.810 0.000) 12.889 7.745 ( 1.646 -3.133 0.000) 3.539 7.871 ( -2.105 -5.190 0.000) 5.600 8.198 ( -14.051 -1.189 0.000) 14.101 8.505 ( 19.693 -20.005 0.000) 28.071 9.476 ( 11.045 -10.606 0.000) 15.313 9.583 ( -5.636 4.794 0.000) 7.399 9.711 ( 5.007 -2.550 0.000) 5.619 10.090 ( -0.147 15.152 0.000) 15.153 10.239 ( 11.353 -4.046 0.000) 12.053 10.344 ( 20.155 5.821 0.000) 20.979 10.413 ( -8.366 7.317 0.000) 11.115 10.595 ( 18.912 4.331 0.000) 19.401 10.620 ( 7.921 6.856 0.000) 10.476 11.496 ( -15.745 -2.402 0.000) 15.928 11.716 ( 2.191 6.553 0.000) 6.910 11.843 ( 8.144 -3.524 0.000) 8.874 12.308 ( -15.764 2.211 0.000) 15.918 12.314 ( 13.868 0.604 0.000) 13.881 12.843 ( -12.737 -2.457 0.000) 12.971 13.197 ( 15.989 -0.487 0.000) 15.996 13.407 ( 18.935 -4.978 0.000) 19.579 13.593 ( -9.376 -0.110 0.000) 9.376 13.718 ( 0.208 1.449 0.000) 1.464 14.119 ( 21.101 -4.886 0.000) 21.659 14.409 ( 3.791 3.850 0.000) 5.404 14.611 ( 2.786 4.471 0.000) 5.268 15.118 ( 3.366 -0.201 0.000) 3.372 16.369 ( 3.283 0.213 0.000) 3.290 16.565 ( 0.834 2.681 0.000) 2.807 19.182 ( 1.635 5.345 0.000) 5.589 20.491 ( 0.294 8.855 0.000) 8.860 21.707 ( 1.942 -0.605 0.000) 2.034 22.402 ( 2.690 3.871 0.000) 4.714 23.214 ( 7.822 2.248 0.000) 8.139 23.541 ( 1.703 -2.155 0.000) 2.746 23.824 ( -4.403 -5.262 0.000) 6.861 24.244 ( -10.164 -10.905 0.000) 14.907 ======================= Grid point 7 (8/171) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.689 ( 0.000 -0.000 0.000) 0.000 4.118 ( 0.000 -0.000 0.000) 0.000 4.425 ( 0.000 -0.000 0.000) 0.000 4.730 ( 0.000 -0.000 0.000) 0.000 4.821 ( 0.000 0.000 0.000) 0.000 4.967 ( 0.000 -0.000 0.000) 0.000 5.621 ( 0.000 -0.000 0.000) 0.000 5.733 ( 0.000 0.000 0.000) 0.000 6.652 ( -0.000 0.000 0.000) 0.000 6.788 ( 0.000 -0.000 0.000) 0.000 7.431 ( 0.000 -0.000 0.000) 0.000 7.765 ( 0.000 -0.000 0.000) 0.000 7.901 ( -0.000 0.000 0.000) 0.000 7.987 ( 0.000 -0.000 0.000) 0.000 8.859 ( 0.000 -0.000 0.000) 0.000 9.435 ( 0.000 -0.000 0.000) 0.000 9.683 ( 0.000 -0.000 0.000) 0.000 9.853 ( -0.000 0.000 0.000) 0.000 9.924 ( -0.000 -0.000 0.000) 0.000 10.278 ( 0.000 0.000 0.000) 0.000 10.390 ( 0.000 -0.000 0.000) 0.000 10.454 ( 0.000 0.000 0.000) 0.000 10.740 ( 0.000 0.000 0.000) 0.000 10.873 ( 0.000 0.000 0.000) 0.000 11.221 ( 0.000 -0.000 0.000) 0.000 11.716 ( 0.000 -0.000 0.000) 0.000 11.964 ( 0.000 -0.000 0.000) 0.000 12.131 ( -0.000 -0.000 0.000) 0.000 12.442 ( 0.000 -0.000 0.000) 0.000 12.659 ( 0.000 -0.000 0.000) 0.000 13.430 ( -0.000 -0.000 0.000) 0.000 13.468 ( 0.000 -0.000 0.000) 0.000 13.606 ( 0.000 -0.000 0.000) 0.000 13.718 ( 0.000 -0.000 0.000) 0.000 14.389 ( -0.000 0.000 0.000) 0.000 14.400 ( 0.000 -0.000 0.000) 0.000 14.614 ( 0.000 -0.000 0.000) 0.000 15.166 ( 0.000 -0.000 0.000) 0.000 16.416 ( 0.000 0.000 0.000) 0.000 16.555 ( 0.000 -0.000 0.000) 0.000 19.177 ( 0.000 -0.000 0.000) 0.000 20.460 ( -0.000 -0.000 0.000) 0.000 21.726 ( 0.000 -0.000 0.000) 0.000 22.410 ( 0.000 -0.000 0.000) 0.000 23.286 ( 0.000 -0.000 0.000) 0.000 23.567 ( 0.000 -0.000 0.000) 0.000 23.791 ( 0.000 -0.000 0.000) 0.000 24.184 ( -0.000 -0.000 0.000) 0.000 ======================= Grid point 16 (9/171) ======================= q-point: ( 0.07 0.07 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 39.946 -0.000 0.000) 39.946 1.715 ( 40.613 -0.000 0.000) 40.613 3.231 ( 76.351 -0.000 0.000) 76.351 3.898 ( 21.013 -0.000 0.000) 21.013 3.917 ( 14.126 -0.000 0.000) 14.126 4.154 ( -16.561 0.000 0.000) 16.561 4.648 ( 8.388 -0.000 0.000) 8.388 5.715 ( 10.461 -0.000 0.000) 10.461 5.991 ( 0.445 -0.000 0.000) 0.445 6.147 ( -9.223 0.000 0.000) 9.223 6.950 ( 50.481 -0.000 0.000) 50.481 7.168 ( -11.692 0.000 0.000) 11.692 7.357 ( 55.077 -0.000 0.000) 55.077 7.428 ( 5.015 -0.000 0.000) 5.015 7.848 ( 0.452 -0.000 0.000) 0.452 8.072 ( -6.743 0.000 0.000) 6.743 8.226 ( 19.020 -0.000 0.000) 19.020 8.395 ( 16.224 -0.000 0.000) 16.224 8.695 ( 15.558 -0.000 0.000) 15.558 8.820 ( 19.274 -0.000 0.000) 19.274 9.561 ( 32.979 -0.000 0.000) 32.979 9.641 ( 35.782 -0.000 0.000) 35.782 9.786 ( -0.236 0.000 0.000) 0.236 10.043 ( 13.136 -0.000 0.000) 13.136 10.823 ( -3.784 0.000 0.000) 3.784 11.027 ( -5.163 0.000 0.000) 5.163 11.171 ( 6.876 -0.000 0.000) 6.876 11.289 ( -18.387 0.000 0.000) 18.387 12.177 ( -28.104 0.000 0.000) 28.104 12.442 ( -11.172 0.000 0.000) 11.172 13.389 ( -2.454 0.000 0.000) 2.454 13.438 ( -9.397 0.000 0.000) 9.397 14.085 ( -3.508 0.000 0.000) 3.508 14.242 ( -2.991 0.000 0.000) 2.991 14.253 ( -4.748 0.000 0.000) 4.748 14.658 ( 5.493 -0.000 0.000) 5.493 15.141 ( -5.582 0.000 0.000) 5.582 15.757 ( -39.140 0.000 0.000) 39.140 16.187 ( 9.447 -0.000 0.000) 9.447 17.327 ( -25.215 0.000 0.000) 25.215 18.890 ( 22.066 -0.000 0.000) 22.066 20.293 ( 34.087 -0.000 0.000) 34.087 20.337 ( 41.334 -0.000 0.000) 41.334 22.068 ( 16.029 -0.000 0.000) 16.029 22.595 ( 3.744 -0.000 0.000) 3.744 23.152 ( 7.086 -0.000 0.000) 7.086 23.310 ( -3.607 0.000 0.000) 3.607 24.439 ( -10.081 0.000 0.000) 10.081 ======================= Grid point 17 (10/171) ======================= q-point: ( 0.14 0.07 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( 39.141 -3.665 0.000) 39.313 2.451 ( 33.810 -4.902 0.000) 34.163 3.859 ( -12.263 -1.422 0.000) 12.345 4.193 ( 17.525 7.544 0.000) 19.079 4.389 ( 23.728 -9.586 0.000) 25.591 4.574 ( 57.164 -11.641 0.000) 58.337 4.787 ( 7.168 -0.982 0.000) 7.235 5.826 ( -21.026 2.686 0.000) 21.196 5.886 ( 11.545 14.246 0.000) 18.337 6.108 ( 9.644 -10.632 0.000) 14.355 6.977 ( -8.225 0.131 0.000) 8.226 7.326 ( -1.143 0.563 0.000) 1.274 7.798 ( 4.451 7.083 0.000) 8.365 7.881 ( -2.280 15.072 0.000) 15.244 8.174 ( 46.366 -14.920 0.000) 48.708 8.345 ( 6.852 -7.401 0.000) 10.086 8.543 ( 44.311 -11.365 0.000) 45.745 8.824 ( 28.390 2.741 0.000) 28.522 9.084 ( 22.697 -2.422 0.000) 22.825 9.346 ( 23.949 1.530 0.000) 23.998 9.833 ( 11.956 5.518 0.000) 13.168 10.115 ( 5.364 -1.833 0.000) 5.668 10.207 ( 28.542 2.947 0.000) 28.693 10.488 ( 38.322 1.715 0.000) 38.360 10.823 ( 4.869 2.040 0.000) 5.279 10.942 ( -2.790 -3.525 0.000) 4.495 11.094 ( 7.710 8.416 0.000) 11.414 11.413 ( 17.043 -6.424 0.000) 18.213 11.750 ( -12.125 2.329 0.000) 12.347 12.248 ( -11.289 -6.154 0.000) 12.858 13.194 ( -10.693 7.006 0.000) 12.784 13.342 ( -8.230 -5.819 0.000) 10.080 13.954 ( -9.443 0.212 0.000) 9.445 14.132 ( -7.508 1.011 0.000) 7.576 14.203 ( -0.663 -0.977 0.000) 1.181 14.693 ( 1.284 6.772 0.000) 6.892 15.039 ( -35.001 1.269 0.000) 35.024 15.072 ( -3.429 -5.402 0.000) 6.398 16.347 ( 8.410 3.534 0.000) 9.122 16.912 ( -17.108 2.803 0.000) 17.336 19.195 ( 12.111 4.942 0.000) 13.080 20.767 ( 17.152 6.225 0.000) 18.247 21.021 ( 29.684 2.556 0.000) 29.794 22.428 ( 18.669 -3.163 0.000) 18.935 22.580 ( 13.266 36.077 0.000) 38.439 23.263 ( -4.044 -8.278 0.000) 9.213 23.342 ( 10.978 -3.504 0.000) 11.524 24.314 ( -16.005 -26.023 0.000) 30.551 ======================= Grid point 18 (11/171) ======================= q-point: ( 0.21 0.07 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.892 ( 28.725 -0.873 0.000) 28.738 3.069 ( 26.159 -6.832 0.000) 27.037 3.794 ( 5.155 -4.243 0.000) 6.677 4.434 ( 13.555 10.309 0.000) 17.030 4.766 ( 10.700 3.953 0.000) 11.407 5.049 ( 13.593 -10.914 0.000) 17.433 5.413 ( -17.239 -2.728 0.000) 17.454 5.492 ( 24.818 -20.303 0.000) 32.065 6.023 ( 14.715 16.095 0.000) 21.808 6.471 ( 18.927 -12.451 0.000) 22.655 6.850 ( -4.904 0.049 0.000) 4.904 7.329 ( 3.969 -1.477 0.000) 4.235 7.762 ( 1.361 11.083 0.000) 11.166 7.779 ( -3.121 -4.927 0.000) 5.833 8.355 ( -8.309 -14.322 0.000) 16.558 9.068 ( 33.571 -7.822 0.000) 34.471 9.393 ( 32.999 5.680 0.000) 33.484 9.431 ( 36.453 2.213 0.000) 36.520 9.475 ( -1.756 5.779 0.000) 6.040 9.538 ( 21.551 -2.521 0.000) 21.698 10.027 ( 6.388 8.651 0.000) 10.755 10.261 ( 8.706 0.264 0.000) 8.710 10.449 ( 3.439 -1.451 0.000) 3.732 10.876 ( 2.363 4.186 0.000) 4.807 10.997 ( 16.034 -2.613 0.000) 16.246 11.295 ( 34.389 1.779 0.000) 34.435 11.501 ( 37.616 20.112 0.000) 42.655 11.781 ( 12.792 -6.796 0.000) 14.485 11.990 ( 35.206 -8.361 0.000) 36.185 12.154 ( -0.100 -8.314 0.000) 8.315 12.933 ( -11.232 4.541 0.000) 12.115 13.164 ( -13.222 -5.081 0.000) 14.165 13.746 ( -10.820 0.483 0.000) 10.831 13.958 ( -8.770 2.263 0.000) 9.058 14.242 ( 3.278 -1.186 0.000) 3.486 14.408 ( -29.272 1.531 0.000) 29.312 14.659 ( 2.467 8.819 0.000) 9.157 15.069 ( -1.708 -5.492 0.000) 5.751 16.446 ( 5.246 7.296 0.000) 8.986 16.635 ( -9.550 0.496 0.000) 9.563 19.309 ( 5.172 7.163 0.000) 8.835 20.881 ( 3.031 11.433 0.000) 11.828 21.431 ( 15.379 1.379 0.000) 15.441 22.590 ( 12.651 31.997 0.000) 34.407 22.786 ( 16.900 -0.255 0.000) 16.902 23.291 ( -0.045 -10.458 0.000) 10.458 23.577 ( 8.221 -6.487 0.000) 10.472 24.189 ( -17.156 -27.276 0.000) 32.223 ======================= Grid point 19 (12/171) ======================= q-point: ( 0.29 0.07 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.311 ( 16.778 -0.948 0.000) 16.805 3.550 ( 18.840 -6.796 0.000) 20.028 4.088 ( 19.388 -1.605 0.000) 19.454 4.535 ( 4.998 10.278 0.000) 11.428 4.875 ( 6.593 8.449 0.000) 10.717 5.027 ( -9.310 -2.609 0.000) 9.669 5.489 ( 5.898 -12.190 0.000) 13.542 5.922 ( 7.031 -25.181 0.000) 26.144 6.123 ( 7.254 17.552 0.000) 18.992 6.793 ( -1.227 -0.356 0.000) 1.277 6.954 ( 19.088 -11.462 0.000) 22.265 7.550 ( 14.855 -2.721 0.000) 15.102 7.778 ( 3.834 1.951 0.000) 4.302 7.802 ( 1.602 -13.857 0.000) 13.950 8.269 ( -9.640 -11.001 0.000) 14.627 9.339 ( -7.358 2.066 0.000) 7.642 9.545 ( 13.137 -2.625 0.000) 13.397 9.829 ( 14.115 17.723 0.000) 22.657 9.904 ( 14.776 -2.703 0.000) 15.021 9.977 ( 32.012 7.332 0.000) 32.841 10.176 ( 11.826 -2.156 0.000) 12.021 10.299 ( 2.935 5.715 0.000) 6.425 10.548 ( 7.296 -0.652 0.000) 7.325 10.800 ( -6.136 4.477 0.000) 7.596 11.380 ( 20.439 -1.140 0.000) 20.471 11.847 ( 1.104 4.285 0.000) 4.425 11.925 ( 20.968 -1.513 0.000) 21.022 11.931 ( 15.212 20.117 0.000) 25.222 12.612 ( 8.944 -2.405 0.000) 9.262 12.626 ( 30.451 -17.143 0.000) 34.945 12.716 ( 4.255 6.137 0.000) 7.468 13.038 ( -7.092 -12.858 0.000) 14.684 13.662 ( 8.690 -0.412 0.000) 8.700 13.802 ( -5.022 2.036 0.000) 5.419 13.895 ( -21.402 1.226 0.000) 21.437 14.348 ( 5.902 -0.050 0.000) 5.902 14.670 ( 3.787 6.413 0.000) 7.448 15.084 ( 1.329 -0.575 0.000) 1.448 16.397 ( -2.965 3.658 0.000) 4.709 16.590 ( 2.826 2.228 0.000) 3.598 19.311 ( 0.816 6.794 0.000) 6.843 20.778 ( -3.639 11.510 0.000) 12.072 21.626 ( 6.651 0.454 0.000) 6.666 22.565 ( 4.419 19.090 0.000) 19.595 23.071 ( 13.641 2.530 0.000) 13.873 23.401 ( 4.567 -5.450 0.000) 7.111 23.713 ( 0.451 -7.569 0.000) 7.582 24.079 ( -13.118 -23.250 0.000) 26.695 ======================= Grid point 20 (13/171) ======================= q-point: ( 0.36 0.07 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.601 ( 13.344 1.887 0.000) 13.477 3.895 ( 12.621 -5.318 0.000) 13.696 4.448 ( 16.211 -1.422 0.000) 16.274 4.515 ( 0.661 7.077 0.000) 7.107 4.875 ( -2.629 1.446 0.000) 3.000 4.965 ( 1.149 1.352 0.000) 1.774 5.591 ( -1.026 -5.671 0.000) 5.763 6.016 ( -4.346 9.433 0.000) 10.386 6.244 ( 7.105 -17.886 0.000) 19.246 6.801 ( 1.426 -0.243 0.000) 1.447 7.297 ( 8.751 -7.120 0.000) 11.282 7.707 ( 2.494 -2.068 0.000) 3.240 7.805 ( -1.024 -3.182 0.000) 3.343 8.164 ( -7.828 -3.555 0.000) 8.597 8.215 ( 23.597 -18.203 0.000) 29.802 9.263 ( -2.078 -12.784 0.000) 12.951 9.653 ( -0.342 4.174 0.000) 4.188 9.859 ( 3.241 16.461 0.000) 16.777 10.140 ( 7.155 -6.007 0.000) 9.342 10.223 ( 1.797 4.489 0.000) 4.835 10.478 ( 23.958 8.923 0.000) 25.566 10.494 ( 3.583 4.553 0.000) 5.793 10.698 ( 7.233 3.541 0.000) 8.054 10.707 ( 11.185 6.224 0.000) 12.800 11.535 ( -14.371 8.422 0.000) 16.657 11.791 ( 11.830 -3.213 0.000) 12.259 11.850 ( -4.520 11.484 0.000) 12.341 12.326 ( 14.367 1.474 0.000) 14.442 12.329 ( -16.497 0.511 0.000) 16.505 12.785 ( -15.089 -5.553 0.000) 16.078 13.220 ( 21.898 3.522 0.000) 22.179 13.231 ( 16.154 -17.468 0.000) 23.793 13.587 ( -10.854 -0.669 0.000) 10.875 13.744 ( -0.102 1.424 0.000) 1.428 14.025 ( 16.971 -7.082 0.000) 18.390 14.465 ( 6.902 3.302 0.000) 7.651 14.670 ( -0.637 3.265 0.000) 3.326 15.145 ( 5.706 3.271 0.000) 6.577 16.365 ( 0.791 -0.697 0.000) 1.055 16.615 ( 1.321 3.980 0.000) 4.194 19.255 ( -2.028 4.366 0.000) 4.814 20.610 ( -6.152 7.017 0.000) 9.332 21.707 ( 2.651 0.466 0.000) 2.692 22.498 ( -0.127 8.994 0.000) 8.995 23.261 ( 8.243 4.136 0.000) 9.223 23.515 ( 4.200 -1.079 0.000) 4.336 23.731 ( -2.802 -7.198 0.000) 7.724 24.051 ( -4.008 -15.160 0.000) 15.681 ======================= Grid point 21 (14/171) ======================= q-point: ( 0.43 0.07 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.757 ( 6.428 8.654 0.000) 10.781 4.105 ( 6.176 -1.481 0.000) 6.351 4.461 ( -2.216 4.521 0.000) 5.035 4.712 ( 8.908 -1.500 0.000) 9.034 4.799 ( -5.252 -2.690 0.000) 5.901 4.981 ( 1.241 1.624 0.000) 2.044 5.588 ( -1.838 -4.248 0.000) 4.628 5.811 ( -8.139 9.637 0.000) 12.615 6.482 ( 2.514 -19.874 0.000) 20.032 6.817 ( 0.450 2.477 0.000) 2.517 7.355 ( -8.740 -10.028 0.000) 13.302 7.764 ( 2.716 -0.236 0.000) 2.726 7.906 ( 11.173 0.744 0.000) 11.197 8.012 ( -5.678 2.545 0.000) 6.222 8.756 ( 16.536 -11.477 0.000) 20.128 9.456 ( 4.260 -27.281 0.000) 27.611 9.519 ( -5.553 9.070 0.000) 10.635 9.738 ( -5.599 6.986 0.000) 8.953 10.243 ( 3.410 6.152 0.000) 7.034 10.258 ( -1.406 -8.760 0.000) 8.872 10.340 ( -4.959 18.164 0.000) 18.829 10.606 ( -1.410 11.066 0.000) 11.155 10.744 ( -4.539 0.963 0.000) 4.640 10.941 ( -3.565 9.814 0.000) 10.441 11.235 ( 6.414 1.730 0.000) 6.643 11.736 ( -1.730 2.618 0.000) 3.139 11.968 ( 3.033 0.622 0.000) 3.096 12.108 ( -5.055 -2.999 0.000) 5.878 12.443 ( -1.051 0.190 0.000) 1.068 12.666 ( 4.874 0.823 0.000) 4.943 13.437 ( -6.804 0.273 0.000) 6.809 13.465 ( -4.010 -16.257 0.000) 16.744 13.479 ( 7.165 2.100 0.000) 7.466 13.748 ( 0.781 1.869 0.000) 2.026 14.267 ( 1.983 -9.236 0.000) 9.446 14.493 ( -2.703 5.518 0.000) 6.145 14.612 ( -3.445 -0.206 0.000) 3.451 15.204 ( 2.256 4.677 0.000) 5.192 16.402 ( 0.596 -1.635 0.000) 1.741 16.575 ( -2.395 2.492 0.000) 3.456 19.179 ( -4.004 0.165 0.000) 4.007 20.458 ( -6.747 -0.197 0.000) 6.750 21.734 ( 0.915 1.021 0.000) 1.370 22.439 ( -1.165 3.756 0.000) 3.933 23.300 ( -1.836 1.926 0.000) 2.661 23.569 ( 1.290 0.264 0.000) 1.317 23.771 ( 3.796 -2.591 0.000) 4.596 24.155 ( 7.335 -3.818 0.000) 8.270 ======================= Grid point 22 (15/171) ======================= q-point: (-0.50 0.07 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.722 ( -1.586 12.861 0.000) 12.958 4.111 ( -3.799 8.188 0.000) 9.027 4.372 ( -5.540 -2.162 0.000) 5.947 4.724 ( -5.184 11.916 0.000) 12.995 4.730 ( -4.209 -3.980 0.000) 5.793 4.991 ( 0.705 -0.413 0.000) 0.817 5.609 ( 0.678 -4.572 0.000) 4.622 5.641 ( -6.878 -6.295 0.000) 9.324 6.591 ( -2.589 -7.844 0.000) 8.260 6.808 ( 0.848 1.160 0.000) 1.437 7.185 ( -15.073 -11.447 0.000) 18.927 7.794 ( 0.429 3.299 0.000) 3.327 7.938 ( 1.913 3.406 0.000) 3.907 8.211 ( 17.432 0.938 0.000) 17.458 8.759 ( -14.001 13.062 0.000) 19.148 9.499 ( -12.417 -1.473 0.000) 12.504 9.535 ( 9.255 -1.023 0.000) 9.311 9.791 ( 4.655 -22.670 0.000) 23.143 9.997 ( -12.641 28.361 0.000) 31.051 10.139 ( -20.444 -10.235 0.000) 22.863 10.289 ( 0.887 -8.590 0.000) 8.635 10.425 ( -15.108 8.725 0.000) 17.447 10.517 ( -7.841 -5.459 0.000) 9.554 10.633 ( -10.425 8.281 0.000) 13.314 11.572 ( 18.839 6.811 0.000) 20.033 11.654 ( -6.175 -2.223 0.000) 6.563 11.888 ( -7.261 2.767 0.000) 7.770 12.266 ( 15.882 -3.631 0.000) 16.292 12.300 ( -14.171 -1.468 0.000) 14.247 12.873 ( 7.153 2.260 0.000) 7.502 13.224 ( -8.659 2.664 0.000) 9.059 13.344 ( -19.666 -12.852 0.000) 23.493 13.592 ( 7.551 -0.093 0.000) 7.551 13.724 ( -1.587 1.906 0.000) 2.480 14.136 ( -23.704 -3.276 0.000) 23.929 14.378 ( -1.746 0.494 0.000) 1.814 14.546 ( -5.775 -4.166 0.000) 7.120 15.156 ( -2.264 4.681 0.000) 5.200 16.363 ( -4.873 -0.370 0.000) 4.887 16.535 ( -1.186 -1.531 0.000) 1.937 19.104 ( -5.762 -5.192 0.000) 7.756 20.359 ( -7.006 -8.695 0.000) 11.167 21.725 ( -1.063 1.749 0.000) 2.047 22.382 ( -3.710 0.934 0.000) 3.826 23.193 ( -8.117 -0.688 0.000) 8.146 23.572 ( 0.243 2.025 0.000) 2.040 23.884 ( 6.803 2.901 0.000) 7.395 24.368 ( 15.243 6.010 0.000) 16.385 ======================= Grid point 23 (16/171) ======================= q-point: (-0.43 0.07 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.515 ( -9.034 15.683 0.000) 18.099 3.867 ( -12.044 14.285 0.000) 18.685 4.269 ( -8.765 -6.541 0.000) 10.937 4.407 ( -12.520 18.728 0.000) 22.527 4.693 ( -2.994 -3.759 0.000) 4.806 5.037 ( 3.571 -2.714 0.000) 4.486 5.595 ( -8.821 -16.073 0.000) 18.335 5.655 ( 0.277 -1.827 0.000) 1.848 6.545 ( -1.241 7.493 0.000) 7.595 6.776 ( -5.871 -3.039 0.000) 6.611 7.029 ( -8.028 -8.201 0.000) 11.476 7.642 ( -14.991 5.772 0.000) 16.064 7.868 ( -10.489 10.057 0.000) 14.531 8.379 ( -7.283 18.169 0.000) 19.575 8.535 ( 17.958 3.477 0.000) 18.292 9.258 ( -10.863 -3.506 0.000) 11.414 9.564 ( -15.713 8.083 0.000) 17.670 9.637 ( -1.971 3.265 0.000) 3.814 9.670 ( -32.515 -11.177 0.000) 34.383 9.995 ( 2.193 -15.525 0.000) 15.679 10.034 ( -18.039 5.046 0.000) 18.731 10.306 ( -10.059 0.096 0.000) 10.059 10.501 ( -1.210 -4.542 0.000) 4.701 10.524 ( 5.348 -2.038 0.000) 5.724 11.446 ( -19.004 7.085 0.000) 20.282 11.531 ( -13.142 -4.686 0.000) 13.953 11.922 ( -24.105 0.537 0.000) 24.111 12.012 ( 14.712 4.066 0.000) 15.263 12.478 ( -33.772 -4.921 0.000) 34.128 12.624 ( 16.117 -2.458 0.000) 16.304 12.903 ( -31.202 -1.419 0.000) 31.234 13.355 ( 3.106 5.715 0.000) 6.504 13.660 ( -13.242 -0.943 0.000) 13.276 13.686 ( -2.048 -4.059 0.000) 4.546 13.825 ( 16.900 -3.301 0.000) 17.219 14.355 ( -0.686 0.928 0.000) 1.154 14.435 ( -9.186 -7.031 0.000) 11.568 15.138 ( 4.470 2.965 0.000) 5.364 16.268 ( -6.039 -3.260 0.000) 6.863 16.534 ( -0.331 -2.159 0.000) 2.185 19.031 ( -8.258 -10.945 0.000) 13.711 20.310 ( -8.568 -17.635 0.000) 19.606 21.649 ( -6.069 2.239 0.000) 6.469 22.252 ( -11.344 -2.576 0.000) 11.633 23.011 ( -11.545 -1.314 0.000) 11.619 23.556 ( 0.823 4.616 0.000) 4.689 23.947 ( 2.800 7.030 0.000) 7.567 24.634 ( 19.502 12.915 0.000) 23.391 ======================= Grid point 24 (17/171) ======================= q-point: (-0.36 0.07 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.142 ( -16.874 18.677 0.000) 25.171 3.447 ( -19.582 18.121 0.000) 26.680 4.082 ( -6.203 15.523 0.000) 16.717 4.145 ( -9.377 -7.260 0.000) 11.859 4.655 ( -3.982 -3.275 0.000) 5.156 5.166 ( 5.042 -3.839 0.000) 6.337 5.505 ( -12.478 -16.287 0.000) 20.518 5.585 ( -6.081 5.435 0.000) 8.156 6.354 ( -12.301 24.751 0.000) 27.639 6.661 ( -12.018 -5.087 0.000) 13.051 6.939 ( -2.511 7.598 0.000) 8.002 7.254 ( -18.431 -2.407 0.000) 18.587 7.394 ( -24.314 -4.109 0.000) 24.659 8.206 ( -1.230 17.603 0.000) 17.646 8.843 ( 17.623 10.492 0.000) 20.510 9.095 ( -33.336 -12.491 0.000) 35.600 9.180 ( -12.153 -12.097 0.000) 17.147 9.260 ( -10.788 -3.731 0.000) 11.415 9.409 ( -18.908 10.964 0.000) 21.857 9.674 ( -15.318 6.972 0.000) 16.830 9.946 ( -19.897 3.889 0.000) 20.274 10.163 ( 3.380 -4.386 0.000) 5.537 10.429 ( -15.132 -4.967 0.000) 15.926 10.659 ( 0.236 -9.969 0.000) 9.972 10.981 ( -25.036 1.671 0.000) 25.092 11.100 ( -26.446 -0.507 0.000) 26.450 11.405 ( -24.298 4.354 0.000) 24.685 11.949 ( -27.339 -8.946 0.000) 28.766 12.184 ( -1.559 16.453 0.000) 16.527 12.310 ( -13.792 0.345 0.000) 13.797 12.846 ( 4.375 -2.272 0.000) 4.930 13.194 ( 0.910 -4.279 0.000) 4.375 13.757 ( 3.630 -12.467 0.000) 12.985 13.789 ( 12.619 3.343 0.000) 13.054 14.278 ( 20.271 -2.110 0.000) 20.380 14.349 ( -5.309 -8.465 0.000) 9.992 14.353 ( 7.994 1.358 0.000) 8.109 15.251 ( 8.892 5.582 0.000) 10.499 16.182 ( -7.304 -7.975 0.000) 10.814 16.570 ( 2.511 -3.714 0.000) 4.484 18.938 ( -12.233 -16.428 0.000) 20.482 20.274 ( -12.645 -26.254 0.000) 29.140 21.422 ( -17.258 1.664 0.000) 17.338 21.963 ( -23.561 -8.856 0.000) 25.170 22.783 ( -12.452 -0.518 0.000) 12.463 23.542 ( 2.355 7.233 0.000) 7.607 23.868 ( -4.253 11.200 0.000) 11.980 24.918 ( 21.864 17.757 0.000) 28.166 ======================= Grid point 25 (18/171) ======================= q-point: (-0.29 0.07 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.593 ( -23.948 23.578 0.000) 33.606 2.852 ( -27.318 21.224 0.000) 34.594 3.990 ( 5.761 7.924 0.000) 9.797 4.010 ( -9.340 -3.879 0.000) 10.113 4.567 ( -8.246 -0.251 0.000) 8.249 5.000 ( -17.538 12.691 0.000) 21.648 5.370 ( -20.787 -2.398 0.000) 20.925 5.477 ( -42.144 28.564 0.000) 50.912 5.618 ( 9.125 -9.926 0.000) 13.483 6.362 ( -13.828 4.160 0.000) 14.440 6.963 ( 6.503 -0.188 0.000) 6.506 7.044 ( -13.199 -15.166 0.000) 20.105 7.237 ( -10.098 -22.294 0.000) 24.474 7.948 ( -15.847 11.855 0.000) 19.790 8.633 ( -22.830 -8.563 0.000) 24.383 8.649 ( -29.409 8.675 0.000) 30.662 8.771 ( -32.362 19.955 0.000) 38.020 9.033 ( 0.026 11.805 0.000) 11.805 9.196 ( -14.774 -6.113 0.000) 15.989 9.315 ( -13.882 13.794 0.000) 19.570 9.524 ( -17.088 -7.298 0.000) 18.581 9.913 ( -38.187 -14.847 0.000) 40.972 10.175 ( -8.143 0.825 0.000) 8.185 10.518 ( -14.452 3.357 0.000) 14.837 10.663 ( -6.933 -8.991 0.000) 11.353 10.884 ( -0.672 -1.560 0.000) 1.699 11.083 ( -2.938 5.728 0.000) 6.437 11.559 ( -12.912 1.591 0.000) 13.010 11.861 ( -1.958 12.725 0.000) 12.875 12.446 ( 12.644 1.797 0.000) 12.771 12.987 ( 7.306 -6.742 0.000) 9.941 13.362 ( 7.925 -6.105 0.000) 10.004 13.974 ( 7.479 -13.543 0.000) 15.471 13.982 ( 9.351 2.100 0.000) 9.584 14.315 ( 2.529 7.412 0.000) 7.832 14.351 ( -1.835 -10.102 0.000) 10.267 14.933 ( 33.925 -5.791 0.000) 34.415 15.335 ( 4.742 9.945 0.000) 11.018 16.104 ( -7.845 -10.094 0.000) 12.785 16.719 ( 9.265 -8.717 0.000) 12.721 18.793 ( -17.300 -20.647 0.000) 26.937 20.185 ( -19.995 -32.421 0.000) 38.091 20.929 ( -34.316 -0.956 0.000) 34.329 21.478 ( -38.223 -20.391 0.000) 43.322 22.560 ( -9.862 2.981 0.000) 10.302 23.539 ( 3.573 9.401 0.000) 10.057 23.634 ( -9.268 14.810 0.000) 17.471 25.212 ( 24.197 21.992 0.000) 32.698 ======================= Grid point 26 (19/171) ======================= q-point: (-0.21 0.07 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( -26.872 28.863 0.000) 39.435 2.105 ( -32.745 24.200 0.000) 40.717 3.829 ( -11.467 0.108 0.000) 11.468 3.955 ( -60.018 40.350 0.000) 72.320 4.173 ( 7.593 5.476 0.000) 9.362 4.238 ( -18.449 12.912 0.000) 22.518 4.680 ( -8.543 3.905 0.000) 9.393 5.339 ( -8.176 -17.676 0.000) 19.476 5.862 ( 2.856 -16.892 0.000) 17.132 6.101 ( -10.806 4.000 0.000) 11.523 6.754 ( -31.586 -11.925 0.000) 33.762 6.979 ( -20.493 -11.318 0.000) 23.411 7.210 ( 3.840 -6.919 0.000) 7.913 7.512 ( -19.483 1.977 0.000) 19.583 8.111 ( -14.372 6.322 0.000) 15.701 8.113 ( -15.236 14.465 0.000) 21.009 8.348 ( -13.165 -2.702 0.000) 13.439 8.556 ( -31.938 14.474 0.000) 35.065 8.877 ( -21.854 -6.874 0.000) 22.910 8.966 ( -10.785 17.298 0.000) 20.385 9.380 ( -25.801 -10.090 0.000) 27.704 9.390 ( -7.435 -5.465 0.000) 9.227 9.980 ( -7.020 3.077 0.000) 7.665 10.327 ( 3.418 17.329 0.000) 17.663 10.722 ( 5.349 -5.347 0.000) 7.563 10.922 ( -1.120 -8.566 0.000) 8.639 11.103 ( 6.105 5.377 0.000) 8.136 11.508 ( 10.878 8.210 0.000) 13.629 11.962 ( 15.221 -0.989 0.000) 15.253 12.698 ( 14.970 3.823 0.000) 15.450 13.165 ( 5.227 -6.885 0.000) 8.644 13.542 ( 6.902 -4.195 0.000) 8.077 14.099 ( 3.254 0.764 0.000) 3.342 14.185 ( 5.600 -7.300 0.000) 9.200 14.316 ( 3.284 7.500 0.000) 8.187 14.418 ( -0.679 -12.971 0.000) 12.988 15.283 ( -3.382 5.442 0.000) 6.407 15.681 ( 39.620 -4.863 0.000) 39.917 16.027 ( -6.359 -6.210 0.000) 8.888 17.069 ( 18.269 -13.946 0.000) 22.984 18.575 ( -21.452 -20.939 0.000) 29.977 19.942 ( -30.291 -29.221 0.000) 42.088 20.151 ( -47.645 -5.950 0.000) 48.015 20.795 ( -59.205 -45.315 0.000) 74.557 22.346 ( -7.874 10.491 0.000) 13.117 23.345 ( -8.305 14.265 0.000) 16.506 23.534 ( 3.432 10.811 0.000) 11.343 25.534 ( 28.878 26.952 0.000) 39.501 ======================= Grid point 27 (20/171) ======================= q-point: (-0.14 0.07 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( -25.933 31.743 0.000) 40.989 1.276 ( -31.685 29.903 0.000) 43.567 2.378 ( -58.953 56.306 0.000) 81.521 3.572 ( -12.827 1.116 0.000) 12.875 3.885 ( -6.788 13.472 0.000) 15.085 4.369 ( 5.700 -1.685 0.000) 5.944 4.475 ( -11.207 3.037 0.000) 11.611 5.371 ( -0.939 -18.938 0.000) 18.961 5.841 ( -17.504 -6.969 0.000) 18.841 5.918 ( -8.760 -14.341 0.000) 16.805 6.207 ( -22.123 -2.207 0.000) 22.232 6.680 ( -1.407 8.481 0.000) 8.597 7.249 ( -10.039 -7.634 0.000) 12.612 7.386 ( 6.658 -1.748 0.000) 6.883 7.707 ( -30.376 4.687 0.000) 30.736 7.966 ( 3.862 5.191 0.000) 6.470 8.086 ( -9.473 -1.494 0.000) 9.590 8.196 ( -4.549 -1.764 0.000) 4.879 8.458 ( -21.931 -8.325 0.000) 23.458 8.624 ( -12.922 13.538 0.000) 18.716 9.083 ( -9.137 1.570 0.000) 9.271 9.373 ( 4.546 1.557 0.000) 4.805 9.812 ( -7.859 1.979 0.000) 8.104 10.471 ( 33.810 33.439 0.000) 47.554 10.866 ( 5.959 -2.023 0.000) 6.293 10.959 ( -1.575 -9.505 0.000) 9.635 11.203 ( 11.941 10.976 0.000) 16.220 11.753 ( 16.397 6.265 0.000) 17.553 12.336 ( 15.585 -9.740 0.000) 18.378 12.931 ( 10.715 3.653 0.000) 11.320 13.298 ( 3.930 -7.595 0.000) 8.552 13.684 ( 6.373 0.687 0.000) 6.410 14.075 ( -5.292 0.235 0.000) 5.297 14.296 ( 2.737 -2.610 0.000) 3.781 14.325 ( 2.260 5.069 0.000) 5.550 14.453 ( -4.639 -6.021 0.000) 7.601 15.174 ( -10.490 -13.525 0.000) 17.116 15.980 ( 2.098 3.170 0.000) 3.802 16.478 ( 38.538 -2.876 0.000) 38.645 17.568 ( 14.204 -23.965 0.000) 27.858 18.276 ( -22.547 -11.125 0.000) 25.142 19.330 ( -40.902 -16.490 0.000) 44.101 19.396 ( -47.003 -9.079 0.000) 47.872 19.774 ( -98.344 -84.604 0.000) 129.728 22.103 ( -5.718 18.425 0.000) 19.291 23.144 ( -3.621 8.980 0.000) 9.683 23.506 ( 1.959 10.898 0.000) 11.072 25.966 ( 39.615 29.063 0.000) 49.132 ======================= Grid point 28 (21/171) ======================= q-point: (-0.07 0.07 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.542 ( -0.000 36.642 0.000) 36.642 0.608 ( -0.000 41.454 0.000) 41.454 1.166 ( -0.000 79.545 0.000) 79.545 3.430 ( -0.000 0.332 0.000) 0.332 3.742 ( -0.000 10.511 0.000) 10.511 4.308 ( -0.000 2.851 0.000) 2.851 4.404 ( 0.000 -0.660 0.000) 0.660 5.543 ( 0.000 -6.423 0.000) 6.423 5.703 ( 0.000 -26.801 0.000) 26.801 5.837 ( 0.000 -2.280 0.000) 2.280 6.068 ( 0.000 -7.843 0.000) 7.843 6.689 ( -0.000 29.784 0.000) 29.784 7.219 ( 0.000 -7.969 0.000) 7.969 7.291 ( 0.000 -2.072 0.000) 2.072 7.354 ( -0.000 3.467 0.000) 3.467 7.980 ( 0.000 -11.212 0.000) 11.212 8.045 ( -0.000 0.030 0.000) 0.030 8.167 ( 0.000 -1.354 0.000) 1.354 8.296 ( -0.000 1.061 0.000) 1.061 8.353 ( -0.000 12.884 0.000) 12.884 8.976 ( -0.000 3.584 0.000) 3.584 9.468 ( 0.000 -2.846 0.000) 2.846 9.709 ( -0.000 2.144 0.000) 2.144 10.899 ( 0.000 -5.414 0.000) 5.414 11.006 ( 0.000 -7.574 0.000) 7.574 11.007 ( -0.000 0.565 0.000) 0.565 11.897 ( -0.000 0.935 0.000) 0.935 11.898 ( -0.000 3.990 0.000) 3.990 12.652 ( -0.000 0.188 0.000) 0.188 12.728 ( -0.000 4.692 0.000) 4.692 13.417 ( 0.000 -9.986 0.000) 9.986 13.743 ( -0.000 7.032 0.000) 7.032 13.973 ( -0.000 0.040 0.000) 0.040 14.321 ( -0.000 2.016 0.000) 2.016 14.339 ( 0.000 -0.500 0.000) 0.500 14.383 ( 0.000 -0.163 0.000) 0.163 15.045 ( 0.000 -29.829 0.000) 29.829 16.400 ( 0.000 -0.066 0.000) 0.066 16.548 ( -0.000 24.075 0.000) 24.075 16.979 ( 0.000 -2.126 0.000) 2.126 17.984 ( 0.000 -0.186 0.000) 0.186 18.582 ( 0.000 -0.051 0.000) 0.051 19.062 ( 0.000 -16.050 0.000) 16.050 19.062 ( 0.000 -22.004 0.000) 22.004 21.901 ( -0.000 18.562 0.000) 18.562 23.064 ( -0.000 4.587 0.000) 4.587 23.451 ( -0.000 8.879 0.000) 8.879 26.519 ( 0.000 -2.259 0.000) 2.259 ======================= Grid point 31 (22/171) ======================= q-point: ( 0.14 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.891 ( 30.315 -0.000 0.000) 30.315 3.019 ( 27.118 -0.000 0.000) 27.118 3.765 ( 6.050 -0.000 0.000) 6.050 4.525 ( 12.087 -0.000 0.000) 12.087 4.818 ( 23.230 -0.000 0.000) 23.230 4.927 ( 8.399 -0.000 0.000) 8.399 5.333 ( 25.148 -0.000 0.000) 25.148 5.394 ( -22.466 0.000 0.000) 22.466 6.221 ( 12.885 -0.000 0.000) 12.885 6.303 ( 20.004 -0.000 0.000) 20.004 6.850 ( -4.977 0.000 0.000) 4.977 7.307 ( 2.424 -0.000 0.000) 2.424 7.754 ( -4.689 0.000 0.000) 4.689 7.856 ( -3.204 0.000 0.000) 3.204 8.236 ( -5.758 0.000 0.000) 5.758 9.007 ( 37.020 -0.000 0.000) 37.020 9.437 ( 33.024 -0.000 0.000) 33.024 9.443 ( 40.303 -0.000 0.000) 40.303 9.518 ( 21.960 -0.000 0.000) 21.960 9.520 ( -2.365 0.000 0.000) 2.365 10.112 ( -0.164 0.000 0.000) 0.164 10.251 ( 17.347 -0.000 0.000) 17.347 10.437 ( 2.724 -0.000 0.000) 2.724 10.909 ( 0.949 -0.000 0.000) 0.949 10.966 ( 11.787 -0.000 0.000) 11.787 11.318 ( 40.889 -0.000 0.000) 40.889 11.740 ( 43.833 -0.000 0.000) 43.833 11.741 ( 12.985 -0.000 0.000) 12.985 11.841 ( 30.558 -0.000 0.000) 30.558 12.077 ( -3.354 0.000 0.000) 3.354 12.983 ( -12.598 0.000 0.000) 12.598 13.109 ( -14.275 0.000 0.000) 14.275 13.752 ( -10.608 0.000 0.000) 10.608 13.974 ( -8.996 0.000 0.000) 8.996 14.233 ( 4.170 -0.000 0.000) 4.170 14.420 ( -30.064 0.000 0.000) 30.064 14.732 ( 0.449 -0.000 0.000) 0.449 15.021 ( 0.637 -0.000 0.000) 0.637 16.506 ( 6.913 -0.000 0.000) 6.913 16.636 ( -12.739 0.000 0.000) 12.739 19.362 ( 4.167 -0.000 0.000) 4.167 20.965 ( 2.032 -0.000 0.000) 2.032 21.443 ( 14.675 -0.000 0.000) 14.675 22.783 ( 18.338 -0.000 0.000) 18.338 22.986 ( 15.334 -0.000 0.000) 15.334 23.102 ( -7.732 0.000 0.000) 7.732 23.528 ( 8.476 -0.000 0.000) 8.476 23.942 ( -13.626 0.000 0.000) 13.626 ======================= Grid point 32 (23/171) ======================= q-point: ( 0.21 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.307 ( 16.340 -0.080 0.000) 16.340 3.483 ( 20.429 -2.298 0.000) 20.557 4.107 ( 25.480 2.315 0.000) 25.585 4.656 ( 3.882 4.926 0.000) 6.271 4.990 ( -12.836 -1.413 0.000) 12.914 5.017 ( 6.773 9.626 0.000) 11.771 5.296 ( 10.865 -12.213 0.000) 16.347 5.622 ( 4.438 -12.279 0.000) 13.057 6.369 ( 8.485 13.385 0.000) 15.848 6.754 ( 11.179 -8.740 0.000) 14.190 6.806 ( 7.108 -2.628 0.000) 7.578 7.495 ( 16.598 -3.214 0.000) 16.907 7.689 ( -2.119 -2.622 0.000) 3.371 7.801 ( -1.725 0.881 0.000) 1.937 8.149 ( -5.294 -4.485 0.000) 6.938 9.366 ( -11.687 1.110 0.000) 11.740 9.518 ( 16.572 -0.931 0.000) 16.598 9.875 ( 14.068 -1.062 0.000) 14.108 10.031 ( 22.912 7.195 0.000) 24.016 10.053 ( 31.880 2.690 0.000) 31.993 10.170 ( 8.274 1.376 0.000) 8.388 10.359 ( 0.914 2.377 0.000) 2.547 10.538 ( 8.948 -0.475 0.000) 8.961 10.808 ( -10.462 -1.675 0.000) 10.595 11.348 ( 22.427 -1.834 0.000) 22.501 11.878 ( 6.835 -0.823 0.000) 6.884 12.051 ( 23.797 17.880 0.000) 29.766 12.235 ( 13.247 20.312 0.000) 24.250 12.345 ( 26.247 -20.552 0.000) 33.336 12.496 ( 10.939 -13.662 0.000) 17.502 12.795 ( -2.843 4.169 0.000) 5.046 12.888 ( -0.085 -6.427 0.000) 6.428 13.658 ( 5.294 -0.163 0.000) 5.296 13.819 ( -5.951 0.520 0.000) 5.974 13.906 ( -22.669 0.319 0.000) 22.671 14.347 ( 7.277 -0.063 0.000) 7.277 14.733 ( 0.659 2.140 0.000) 2.239 15.081 ( 4.996 0.050 0.000) 4.997 16.432 ( -7.330 1.064 0.000) 7.407 16.620 ( 5.072 1.305 0.000) 5.237 19.379 ( -0.957 2.407 0.000) 2.591 20.893 ( -6.694 4.019 0.000) 7.808 21.634 ( 6.514 0.393 0.000) 6.526 22.856 ( -5.936 16.563 0.000) 17.594 23.102 ( 15.302 1.381 0.000) 15.364 23.319 ( 12.274 -5.559 0.000) 13.475 23.628 ( 0.432 -3.352 0.000) 3.380 23.775 ( -9.455 -14.268 0.000) 17.116 ======================= Grid point 33 (24/171) ======================= q-point: ( 0.29 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.627 ( 17.613 1.047 0.000) 17.644 3.836 ( 14.626 -2.662 0.000) 14.867 4.512 ( 19.091 8.882 0.000) 21.056 4.623 ( -1.128 7.010 0.000) 7.101 4.841 ( -5.934 -3.932 0.000) 7.119 5.030 ( 1.034 5.269 0.000) 5.369 5.490 ( 1.637 -7.062 0.000) 7.249 5.786 ( -0.259 -23.737 0.000) 23.738 6.345 ( 0.919 16.655 0.000) 16.681 6.792 ( 1.584 -1.550 0.000) 2.216 7.136 ( 6.371 -12.748 0.000) 14.251 7.684 ( 2.298 -1.051 0.000) 2.527 7.782 ( 1.125 -0.267 0.000) 1.156 7.999 ( 26.359 -10.525 0.000) 28.382 8.102 ( -3.413 -4.271 0.000) 5.467 9.135 ( -11.097 -4.995 0.000) 12.169 9.698 ( 3.511 2.033 0.000) 4.057 10.078 ( 6.634 -2.516 0.000) 7.095 10.114 ( -2.978 16.044 0.000) 16.318 10.264 ( 3.700 2.331 0.000) 4.373 10.551 ( 6.922 3.056 0.000) 7.566 10.582 ( 24.478 4.947 0.000) 24.973 10.708 ( 11.077 -5.541 0.000) 12.385 10.728 ( 7.716 0.971 0.000) 7.777 11.711 ( -9.898 12.362 0.000) 15.836 11.758 ( 14.070 -1.052 0.000) 14.109 12.036 ( -12.128 12.987 0.000) 17.769 12.314 ( -18.564 -3.056 0.000) 18.814 12.385 ( 14.724 7.989 0.000) 16.752 12.695 ( -9.733 -5.810 0.000) 11.335 12.928 ( 14.073 -22.561 0.000) 26.590 13.283 ( 23.500 4.263 0.000) 23.884 13.576 ( -11.740 -0.730 0.000) 11.762 13.757 ( -0.549 0.389 0.000) 0.673 13.929 ( 13.876 -5.340 0.000) 14.868 14.500 ( 8.316 1.547 0.000) 8.459 14.705 ( -2.749 1.563 0.000) 3.162 15.194 ( 7.365 2.910 0.000) 7.919 16.352 ( -1.007 -0.905 0.000) 1.354 16.671 ( 1.443 3.118 0.000) 3.435 19.306 ( -4.521 2.434 0.000) 5.135 20.690 ( -10.698 3.785 0.000) 11.348 21.716 ( 3.024 0.669 0.000) 3.097 22.643 ( -5.702 9.371 0.000) 10.969 23.333 ( 10.078 5.431 0.000) 11.449 23.522 ( 6.662 2.682 0.000) 7.182 23.621 ( -3.121 -7.397 0.000) 8.029 23.816 ( 3.183 -15.918 0.000) 16.233 ======================= Grid point 34 (25/171) ======================= q-point: ( 0.36 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.908 ( 14.027 10.211 0.000) 17.350 4.082 ( 9.355 -1.461 0.000) 9.469 4.538 ( -3.876 5.069 0.000) 6.381 4.729 ( 10.718 5.375 0.000) 11.991 4.761 ( -4.586 -1.591 0.000) 4.854 5.005 ( -0.996 1.216 0.000) 1.572 5.508 ( -3.051 -6.005 0.000) 6.736 5.900 ( -5.235 -8.503 0.000) 9.985 6.225 ( -3.484 -2.908 0.000) 4.538 6.844 ( 2.355 0.378 0.000) 2.385 7.158 ( -12.882 -15.419 0.000) 20.091 7.757 ( 4.305 -0.670 0.000) 4.357 7.922 ( 13.423 1.451 0.000) 13.501 8.037 ( -4.624 0.456 0.000) 4.647 8.586 ( 23.965 -10.331 0.000) 26.097 9.112 ( 0.322 -18.657 0.000) 18.660 9.643 ( -5.098 6.782 0.000) 8.484 9.869 ( -10.407 10.136 0.000) 14.527 10.165 ( -1.204 -3.948 0.000) 4.127 10.232 ( -5.670 -3.598 0.000) 6.715 10.608 ( 8.489 14.281 0.000) 16.613 10.705 ( -8.666 2.252 0.000) 8.954 10.802 ( -0.571 6.749 0.000) 6.773 11.122 ( 14.664 8.883 0.000) 17.145 11.295 ( -9.456 10.139 0.000) 13.864 11.789 ( -5.783 4.425 0.000) 7.282 11.985 ( 6.097 1.535 0.000) 6.287 12.048 ( -7.956 -5.017 0.000) 9.405 12.460 ( -2.473 2.911 0.000) 3.819 12.679 ( 8.799 0.867 0.000) 8.842 13.169 ( -6.002 -22.993 0.000) 23.763 13.431 ( -5.501 -0.781 0.000) 5.556 13.535 ( 6.390 5.124 0.000) 8.191 13.764 ( 0.717 0.439 0.000) 0.841 14.131 ( 1.217 -8.932 0.000) 9.015 14.556 ( -2.802 3.050 0.000) 4.142 14.609 ( -6.110 -0.233 0.000) 6.115 15.281 ( 3.636 5.082 0.000) 6.249 16.374 ( 0.785 -2.033 0.000) 2.179 16.618 ( -4.254 2.998 0.000) 5.204 19.182 ( -7.199 0.191 0.000) 7.201 20.455 ( -12.014 -0.226 0.000) 12.016 21.752 ( 1.567 1.273 0.000) 2.018 22.508 ( -3.226 4.976 0.000) 5.930 23.339 ( -4.572 3.186 0.000) 5.573 23.575 ( 1.705 0.641 0.000) 1.821 23.720 ( 8.149 -4.006 0.000) 9.081 24.083 ( 14.778 -5.383 0.000) 15.728 ======================= Grid point 35 (26/171) ======================= q-point: (-0.57 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.972 ( 4.625 20.316 0.000) 20.836 4.200 ( 2.674 2.622 0.000) 3.745 4.377 ( -9.375 3.417 0.000) 9.979 4.698 ( -2.636 -0.134 0.000) 2.639 4.852 ( 4.105 5.178 0.000) 6.608 4.975 ( -1.988 -1.679 0.000) 2.602 5.515 ( -0.813 -7.708 0.000) 7.751 5.657 ( -14.483 8.577 0.000) 16.832 6.322 ( -1.355 -25.371 0.000) 25.407 6.841 ( -2.765 2.110 0.000) 3.478 6.988 ( -13.924 -15.592 0.000) 20.904 7.833 ( 2.821 1.665 0.000) 3.276 7.970 ( 0.708 1.329 0.000) 1.506 8.229 ( 17.786 1.530 0.000) 17.852 8.870 ( -4.178 2.738 0.000) 4.995 9.346 ( 4.589 -20.953 0.000) 21.449 9.549 ( 5.406 1.855 0.000) 5.715 9.620 ( -8.774 2.087 0.000) 9.019 10.012 ( -20.705 -6.484 0.000) 21.696 10.168 ( -5.502 -7.465 0.000) 9.273 10.439 ( -16.692 -0.915 0.000) 16.717 10.446 ( -14.506 31.001 0.000) 34.227 10.577 ( -10.174 7.891 0.000) 12.876 10.801 ( -4.862 13.522 0.000) 14.369 11.638 ( -7.465 -0.423 0.000) 7.477 11.657 ( 23.791 3.511 0.000) 24.049 11.940 ( -8.150 5.012 0.000) 9.568 12.204 ( 15.751 -4.638 0.000) 16.420 12.271 ( -16.248 -2.274 0.000) 16.406 12.920 ( 7.382 4.053 0.000) 8.422 13.075 ( -20.074 -22.376 0.000) 30.061 13.264 ( -6.688 2.646 0.000) 7.192 13.594 ( 5.343 0.566 0.000) 5.373 13.753 ( -1.498 1.664 0.000) 2.239 14.040 ( -20.909 -8.620 0.000) 22.616 14.408 ( -4.892 2.595 0.000) 5.538 14.492 ( -7.701 -3.294 0.000) 8.376 15.241 ( -2.594 6.291 0.000) 6.805 16.358 ( -4.304 -0.407 0.000) 4.323 16.518 ( -3.524 -0.789 0.000) 3.611 19.035 ( -9.534 -4.053 0.000) 10.360 20.244 ( -12.583 -6.736 0.000) 14.272 21.755 ( -0.291 2.126 0.000) 2.145 22.416 ( -4.342 3.171 0.000) 5.377 23.191 ( -8.910 0.300 0.000) 8.915 23.598 ( 1.525 1.431 0.000) 2.092 23.911 ( 9.435 0.965 0.000) 9.485 24.427 ( 19.419 2.249 0.000) 19.549 ======================= Grid point 36 (27/171) ======================= q-point: (-0.50 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.815 ( -3.267 24.718 0.000) 24.933 4.092 ( -7.506 16.008 0.000) 17.680 4.190 ( -9.103 -4.496 0.000) 10.153 4.660 ( -2.029 -0.817 0.000) 2.187 4.707 ( -9.044 20.682 0.000) 22.573 4.978 ( 0.488 -5.019 0.000) 5.043 5.397 ( -11.764 -9.511 0.000) 15.128 5.582 ( 0.991 -7.623 0.000) 7.687 6.467 ( -0.670 -18.452 0.000) 18.464 6.680 ( -14.631 -10.376 0.000) 17.936 6.937 ( -0.004 -2.174 0.000) 2.174 7.745 ( -12.112 7.748 0.000) 14.378 7.994 ( -0.580 5.403 0.000) 5.434 8.555 ( 16.430 0.272 0.000) 16.432 8.567 ( -13.029 6.961 0.000) 14.772 9.283 ( -11.613 6.552 0.000) 13.334 9.507 ( -35.286 -9.955 0.000) 36.664 9.698 ( 4.058 3.356 0.000) 5.266 9.724 ( 3.267 -16.179 0.000) 16.505 9.755 ( -22.842 11.615 0.000) 25.625 10.108 ( -15.225 5.529 0.000) 16.197 10.243 ( 1.096 -3.306 0.000) 3.483 10.436 ( -3.423 -3.374 0.000) 4.807 10.644 ( -4.082 13.862 0.000) 14.450 11.519 ( -6.475 2.199 0.000) 6.838 11.583 ( -19.571 10.921 0.000) 22.412 11.890 ( -25.280 -4.682 0.000) 25.710 12.051 ( 15.011 0.557 0.000) 15.022 12.449 ( -32.964 0.995 0.000) 32.979 12.582 ( 10.903 -2.686 0.000) 11.229 12.779 ( -23.405 -14.451 0.000) 27.507 13.373 ( -10.763 -3.760 0.000) 11.401 13.651 ( -1.897 0.187 0.000) 1.906 13.665 ( -6.314 1.512 0.000) 6.493 13.776 ( 14.122 -3.218 0.000) 14.484 14.351 ( -9.336 -4.716 0.000) 10.459 14.377 ( 1.558 1.886 0.000) 2.446 15.186 ( 3.072 3.445 0.000) 4.616 16.240 ( -7.394 -0.498 0.000) 7.411 16.494 ( -1.328 -3.266 0.000) 3.525 18.875 ( -12.576 -9.857 0.000) 15.978 20.067 ( -14.501 -14.954 0.000) 20.830 21.689 ( -5.423 3.011 0.000) 6.203 22.250 ( -12.135 1.737 0.000) 12.259 22.997 ( -11.523 -0.663 0.000) 11.542 23.614 ( 2.088 3.257 0.000) 3.869 24.036 ( 5.229 4.964 0.000) 7.210 24.781 ( 21.029 7.304 0.000) 22.261 ======================= Grid point 37 (28/171) ======================= q-point: (-0.43 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.490 ( -10.504 27.998 0.000) 29.904 3.740 ( -15.004 21.365 0.000) 26.107 4.061 ( -7.259 -4.220 0.000) 8.397 4.349 ( -8.887 20.683 0.000) 22.511 4.619 ( -3.324 -1.554 0.000) 3.669 5.075 ( 3.985 -8.024 0.000) 8.959 5.275 ( -11.661 -14.700 0.000) 18.764 5.611 ( -3.575 -2.329 0.000) 4.267 6.466 ( -15.540 -14.700 0.000) 21.391 6.588 ( 2.467 -1.170 0.000) 2.730 6.956 ( -0.152 -2.004 0.000) 2.010 7.272 ( -26.406 5.373 0.000) 26.947 7.584 ( -31.873 25.821 0.000) 41.020 8.387 ( -5.605 5.389 0.000) 7.776 8.844 ( 9.680 -7.365 0.000) 12.163 8.903 ( -34.196 -13.262 0.000) 36.677 9.077 ( -3.410 -1.299 0.000) 3.649 9.294 ( -16.157 6.780 0.000) 17.522 9.538 ( -16.486 6.311 0.000) 17.653 9.794 ( -12.236 9.227 0.000) 15.325 9.938 ( -0.772 -7.580 0.000) 7.619 10.173 ( -5.800 6.546 0.000) 8.746 10.367 ( -13.042 -1.872 0.000) 13.176 10.532 ( -2.390 -5.444 0.000) 5.946 11.043 ( -28.769 6.275 0.000) 29.446 11.193 ( -22.126 11.781 0.000) 25.067 11.429 ( -22.611 -1.337 0.000) 22.651 11.812 ( -24.233 -8.226 0.000) 25.591 12.209 ( -2.822 -10.113 0.000) 10.499 12.456 ( -7.409 15.410 0.000) 17.099 12.798 ( 0.690 -4.806 0.000) 4.855 13.103 ( -3.062 -7.729 0.000) 8.313 13.575 ( -2.934 -9.920 0.000) 10.345 13.834 ( 11.376 2.490 0.000) 11.645 14.213 ( 26.089 -5.599 0.000) 26.683 14.256 ( -3.922 -4.811 0.000) 6.207 14.410 ( 4.500 5.351 0.000) 6.992 15.317 ( 11.549 3.176 0.000) 11.978 16.094 ( -9.327 -3.731 0.000) 10.046 16.507 ( -0.174 -4.817 0.000) 4.821 18.691 ( -16.966 -16.602 0.000) 23.738 19.896 ( -18.789 -24.262 0.000) 30.687 21.460 ( -17.356 3.291 0.000) 17.665 21.897 ( -25.038 -1.109 0.000) 25.062 22.774 ( -11.618 -0.703 0.000) 11.639 23.634 ( 3.314 5.231 0.000) 6.192 24.023 ( -1.108 9.651 0.000) 9.714 25.122 ( 21.419 10.311 0.000) 23.772 ======================= Grid point 38 (29/171) ======================= q-point: (-0.36 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.002 ( -17.494 31.409 0.000) 35.952 3.203 ( -22.629 26.121 0.000) 34.560 3.970 ( -5.340 -1.681 0.000) 5.598 4.139 ( 0.410 12.512 0.000) 12.519 4.551 ( -5.289 -1.380 0.000) 5.466 5.132 ( -8.075 2.287 0.000) 8.393 5.163 ( -11.030 -14.674 0.000) 18.357 5.496 ( -3.831 -4.639 0.000) 6.016 6.070 ( -39.342 31.155 0.000) 50.184 6.373 ( -17.017 4.413 0.000) 17.580 6.841 ( -19.891 -11.256 0.000) 22.855 6.936 ( -10.351 -16.565 0.000) 19.533 6.997 ( 0.253 3.837 0.000) 3.845 8.060 ( -26.012 2.071 0.000) 26.095 8.511 ( -16.099 -7.961 0.000) 17.960 8.727 ( -25.548 0.899 0.000) 25.564 9.010 ( -30.952 10.825 0.000) 32.790 9.019 ( -11.355 -4.421 0.000) 12.185 9.178 ( 4.651 -3.159 0.000) 5.622 9.461 ( -20.365 0.666 0.000) 20.376 9.571 ( -24.312 12.988 0.000) 27.563 9.837 ( -26.870 12.583 0.000) 29.670 10.185 ( -3.930 0.622 0.000) 3.979 10.502 ( -4.868 -10.702 0.000) 11.757 10.566 ( -11.996 1.417 0.000) 12.079 10.879 ( -6.571 -0.631 0.000) 6.602 11.155 ( -2.812 2.918 0.000) 4.053 11.585 ( -2.925 3.479 0.000) 4.545 12.088 ( -3.371 14.591 0.000) 14.976 12.426 ( 8.073 -1.959 0.000) 8.307 12.871 ( 4.742 -9.577 0.000) 10.687 13.252 ( 6.691 -7.870 0.000) 10.330 13.718 ( 4.807 -18.884 0.000) 19.486 14.007 ( 7.824 1.080 0.000) 7.898 14.252 ( -0.514 -4.377 0.000) 4.407 14.447 ( 5.746 10.180 0.000) 11.689 14.835 ( 33.326 -7.325 0.000) 34.122 15.477 ( 6.112 9.311 0.000) 11.137 15.971 ( -6.076 -7.766 0.000) 9.860 16.589 ( 4.779 -8.898 0.000) 10.100 18.467 ( -21.593 -23.075 0.000) 31.602 19.689 ( -25.404 -33.295 0.000) 41.880 20.938 ( -35.348 2.063 0.000) 35.408 21.300 ( -40.006 -5.712 0.000) 40.412 22.587 ( -7.660 0.875 0.000) 7.710 23.663 ( 4.303 7.228 0.000) 8.412 23.859 ( -6.063 15.101 0.000) 16.273 25.455 ( 22.080 11.758 0.000) 25.016 ======================= Grid point 39 (30/171) ======================= q-point: (-0.29 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.371 ( -23.104 33.533 0.000) 40.721 2.511 ( -26.984 30.579 0.000) 40.783 3.843 ( -8.937 1.721 0.000) 9.102 4.162 ( 5.571 3.998 0.000) 6.857 4.383 ( -12.017 6.292 0.000) 13.565 4.727 ( -51.661 50.618 0.000) 72.326 4.790 ( -12.543 11.046 0.000) 16.714 5.105 ( -9.428 -12.124 0.000) 15.358 5.592 ( -0.970 -19.177 0.000) 19.201 6.105 ( -16.673 -3.928 0.000) 17.129 6.554 ( -24.268 -15.029 0.000) 28.544 6.807 ( -14.578 -12.058 0.000) 18.919 7.117 ( 7.749 -5.487 0.000) 9.495 7.509 ( -28.377 -2.311 0.000) 28.471 8.222 ( -18.076 7.988 0.000) 19.762 8.275 ( -12.450 -1.381 0.000) 12.526 8.349 ( -22.937 10.390 0.000) 25.181 8.664 ( -30.727 -3.627 0.000) 30.941 8.868 ( -26.382 11.871 0.000) 28.930 9.049 ( -23.710 -11.946 0.000) 26.549 9.300 ( -3.275 -7.299 0.000) 8.000 9.434 ( -4.479 23.382 0.000) 23.807 10.013 ( -8.825 1.516 0.000) 8.954 10.482 ( 5.279 1.324 0.000) 5.443 10.660 ( 10.501 -2.118 0.000) 10.712 10.818 ( -3.276 -5.579 0.000) 6.470 11.226 ( 12.228 10.074 0.000) 15.843 11.638 ( 12.706 10.019 0.000) 16.180 12.036 ( 9.687 11.347 0.000) 14.920 12.673 ( 11.958 -7.441 0.000) 14.084 13.058 ( 5.901 -8.528 0.000) 10.370 13.431 ( 5.716 -9.488 0.000) 11.077 13.965 ( 4.374 -21.365 0.000) 21.808 14.103 ( 2.042 -0.146 0.000) 2.047 14.287 ( 0.390 -4.857 0.000) 4.873 14.467 ( 4.937 12.359 0.000) 13.308 15.341 ( -13.999 2.801 0.000) 14.276 15.599 ( 40.657 -6.137 0.000) 41.117 15.991 ( 3.915 1.559 0.000) 4.214 16.865 ( 15.525 -13.350 0.000) 20.476 18.218 ( -22.749 -26.743 0.000) 35.110 19.394 ( -33.929 -39.880 0.000) 52.361 20.102 ( -50.071 -0.904 0.000) 50.080 20.437 ( -56.744 -9.931 0.000) 57.606 22.456 ( -4.389 4.705 0.000) 6.434 23.598 ( -7.017 19.172 0.000) 20.416 23.685 ( 4.077 9.262 0.000) 10.120 25.804 ( 23.495 11.368 0.000) 26.101 ======================= Grid point 40 (31/171) ======================= q-point: (-0.21 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( -25.376 32.990 0.000) 41.621 1.769 ( -22.933 36.376 0.000) 43.002 3.305 ( -39.777 67.039 0.000) 77.952 3.597 ( -12.966 2.332 0.000) 13.174 4.100 ( -5.997 14.591 0.000) 15.775 4.347 ( 5.251 -0.699 0.000) 5.297 4.537 ( -10.361 5.543 0.000) 11.750 5.102 ( -1.236 -16.431 0.000) 16.477 5.680 ( -2.323 -17.570 0.000) 17.723 5.719 ( -26.265 -9.639 0.000) 27.977 6.137 ( -24.075 -7.193 0.000) 25.127 6.761 ( 9.792 0.837 0.000) 9.827 7.119 ( -15.160 -9.485 0.000) 17.883 7.300 ( 3.268 -9.609 0.000) 10.149 7.845 ( -21.398 10.045 0.000) 23.639 8.044 ( -2.296 5.158 0.000) 5.646 8.071 ( -24.728 3.045 0.000) 24.914 8.151 ( -4.880 -4.578 0.000) 6.691 8.410 ( -12.286 1.865 0.000) 12.427 8.735 ( -14.991 -2.212 0.000) 15.153 9.233 ( -0.381 21.227 0.000) 21.230 9.330 ( 1.013 -6.012 0.000) 6.097 9.841 ( -7.146 1.624 0.000) 7.329 10.666 ( 10.942 -1.268 0.000) 11.015 10.823 ( -1.513 -8.045 0.000) 8.186 10.867 ( 9.625 -0.108 0.000) 9.626 11.467 ( 28.077 20.825 0.000) 34.957 11.860 ( 15.075 8.419 0.000) 17.267 12.274 ( 17.754 1.536 0.000) 17.820 12.917 ( 6.261 -5.362 0.000) 8.244 13.198 ( 3.408 -6.504 0.000) 7.343 13.616 ( 6.254 -9.077 0.000) 11.023 14.071 ( -5.565 -0.673 0.000) 5.606 14.170 ( 0.702 -19.731 0.000) 19.744 14.335 ( 0.487 -5.851 0.000) 5.871 14.454 ( 2.956 11.854 0.000) 12.217 14.958 ( -28.351 -10.336 0.000) 30.176 16.093 ( 13.192 10.056 0.000) 16.588 16.428 ( 39.494 -3.697 0.000) 39.667 17.284 ( 10.747 -13.260 0.000) 17.068 18.034 ( -13.695 -21.530 0.000) 25.517 18.933 ( -48.273 -39.648 0.000) 62.468 19.133 ( -50.704 -9.298 0.000) 51.549 19.309 ( -57.792 -3.503 0.000) 57.898 22.331 ( -2.770 11.360 0.000) 11.693 23.346 ( -4.075 18.399 0.000) 18.845 23.674 ( 2.419 11.099 0.000) 11.359 26.189 ( 22.796 6.021 0.000) 23.577 ======================= Grid point 41 (32/171) ======================= q-point: (-0.14 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( -0.000 35.562 0.000) 35.562 1.219 ( -0.000 41.845 0.000) 41.845 2.335 ( -0.000 79.465 0.000) 79.465 3.441 ( -0.000 1.211 0.000) 1.211 3.942 ( -0.000 15.611 0.000) 15.611 4.365 ( -0.000 4.734 0.000) 4.734 4.389 ( 0.000 -1.249 0.000) 1.249 5.346 ( 0.000 -20.819 0.000) 20.819 5.411 ( 0.000 -11.284 0.000) 11.284 5.789 ( 0.000 -4.247 0.000) 4.247 5.906 ( 0.000 -13.745 0.000) 13.745 7.060 ( -0.000 15.336 0.000) 15.336 7.065 ( 0.000 -12.254 0.000) 12.254 7.237 ( 0.000 -4.929 0.000) 4.929 7.435 ( -0.000 6.905 0.000) 6.905 7.821 ( 0.000 -5.001 0.000) 5.001 8.046 ( -0.000 0.048 0.000) 0.048 8.136 ( 0.000 -3.234 0.000) 3.234 8.317 ( -0.000 1.644 0.000) 1.644 8.543 ( -0.000 9.079 0.000) 9.079 9.094 ( -0.000 14.726 0.000) 14.726 9.399 ( 0.000 -6.424 0.000) 6.424 9.749 ( -0.000 2.848 0.000) 2.848 10.812 ( 0.000 -6.291 0.000) 6.291 10.874 ( 0.000 -9.386 0.000) 9.386 10.989 ( 0.000 -2.847 0.000) 2.847 11.919 ( -0.000 1.767 0.000) 1.767 11.975 ( -0.000 6.324 0.000) 6.324 12.656 ( -0.000 0.340 0.000) 0.340 12.807 ( -0.000 5.193 0.000) 5.193 13.289 ( 0.000 -7.512 0.000) 7.512 13.760 ( 0.000 -5.150 0.000) 5.150 13.974 ( -0.000 0.072 0.000) 0.072 14.285 ( 0.000 -12.326 0.000) 12.326 14.380 ( 0.000 -0.295 0.000) 0.295 14.403 ( -0.000 9.487 0.000) 9.487 14.597 ( 0.000 -23.411 0.000) 23.411 16.398 ( 0.000 -0.119 0.000) 0.119 16.927 ( -0.000 25.780 0.000) 25.780 16.933 ( 0.000 -4.132 0.000) 4.132 17.981 ( 0.000 -0.335 0.000) 0.335 18.581 ( 0.000 -0.092 0.000) 0.092 18.672 ( 0.000 -28.849 0.000) 28.849 18.750 ( 0.000 -24.920 0.000) 24.920 22.191 ( -0.000 17.905 0.000) 17.905 23.190 ( -0.000 13.410 0.000) 13.410 23.612 ( -0.000 11.951 0.000) 11.951 26.471 ( 0.000 -4.084 0.000) 4.084 ======================= Grid point 46 (33/171) ======================= q-point: ( 0.21 0.21 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.633 ( 19.012 -0.000 0.000) 19.012 3.816 ( 15.293 -0.000 0.000) 15.293 4.609 ( 22.171 -0.000 0.000) 22.171 4.688 ( -2.461 0.000 0.000) 2.461 4.800 ( -4.993 0.000 0.000) 4.993 5.077 ( -2.215 0.000 0.000) 2.215 5.427 ( 4.442 -0.000 0.000) 4.442 5.577 ( -2.270 0.000 0.000) 2.270 6.514 ( 1.189 -0.000 0.000) 1.189 6.757 ( -0.517 0.000 0.000) 0.517 7.018 ( 6.705 -0.000 0.000) 6.705 7.676 ( 1.984 -0.000 0.000) 1.984 7.783 ( 2.393 -0.000 0.000) 2.393 7.920 ( 27.446 -0.000 0.000) 27.446 8.065 ( -2.539 0.000 0.000) 2.539 9.101 ( -14.154 0.000 0.000) 14.154 9.713 ( 4.819 -0.000 0.000) 4.819 10.061 ( 6.652 -0.000 0.000) 6.652 10.229 ( -3.951 0.000 0.000) 3.951 10.318 ( -1.464 0.000 0.000) 1.464 10.584 ( -2.226 0.000 0.000) 2.226 10.619 ( 24.556 -0.000 0.000) 24.556 10.623 ( 25.439 -0.000 0.000) 25.439 10.734 ( 8.019 -0.000 0.000) 8.019 11.747 ( 18.270 -0.000 0.000) 18.270 11.817 ( -10.400 0.000 0.000) 10.400 12.183 ( -17.518 0.000 0.000) 17.518 12.248 ( -18.729 0.000 0.000) 18.729 12.554 ( 12.947 -0.000 0.000) 12.947 12.643 ( 14.467 -0.000 0.000) 14.467 12.646 ( -5.295 0.000 0.000) 5.295 13.319 ( 24.039 -0.000 0.000) 24.039 13.570 ( -11.981 0.000 0.000) 11.981 13.759 ( -0.716 0.000 0.000) 0.716 13.886 ( 12.330 -0.000 0.000) 12.330 14.511 ( 8.728 -0.000 0.000) 8.728 14.717 ( -3.366 0.000 0.000) 3.366 15.217 ( 7.875 -0.000 0.000) 7.875 16.345 ( -1.627 0.000 0.000) 1.627 16.695 ( 1.386 -0.000 0.000) 1.386 19.324 ( -5.400 0.000 0.000) 5.400 20.718 ( -12.308 0.000 0.000) 12.308 21.722 ( 3.121 -0.000 0.000) 3.121 22.722 ( -9.737 0.000 0.000) 9.737 23.390 ( 14.189 -0.000 0.000) 14.189 23.549 ( -6.660 0.000 0.000) 6.660 23.606 ( -3.099 0.000 0.000) 3.099 23.624 ( 18.403 -0.000 0.000) 18.403 ======================= Grid point 47 (34/171) ======================= q-point: ( 0.29 0.21 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.013 ( 20.326 3.497 0.000) 20.625 4.066 ( 10.383 -0.599 0.000) 10.400 4.585 ( -6.693 1.207 0.000) 6.801 4.765 ( -0.090 1.393 0.000) 1.396 4.873 ( 9.827 11.111 0.000) 14.833 5.010 ( -3.870 -0.261 0.000) 3.879 5.436 ( -3.415 -2.955 0.000) 4.516 5.607 ( -1.117 -18.682 0.000) 18.716 6.396 ( -7.545 15.558 0.000) 17.291 6.770 ( -3.026 -11.260 0.000) 11.659 6.989 ( -9.891 -4.549 0.000) 10.887 7.748 ( 4.782 -0.425 0.000) 4.801 7.948 ( 14.123 1.683 0.000) 14.223 8.026 ( -2.474 -1.343 0.000) 2.815 8.478 ( 27.095 -3.921 0.000) 27.377 8.925 ( -4.170 -6.475 0.000) 7.701 9.708 ( -4.660 2.167 0.000) 5.140 10.011 ( -15.081 8.198 0.000) 17.165 10.133 ( -0.705 -0.857 0.000) 1.110 10.159 ( -7.666 -5.686 0.000) 9.544 10.722 ( -9.669 0.504 0.000) 9.683 10.758 ( 13.409 5.741 0.000) 14.587 10.880 ( 0.407 2.919 0.000) 2.947 11.148 ( 27.374 -1.147 0.000) 27.398 11.495 ( -18.422 10.253 0.000) 21.083 11.859 ( -13.138 4.538 0.000) 13.900 11.970 ( -5.643 -4.843 0.000) 7.436 12.003 ( 7.917 0.634 0.000) 7.942 12.561 ( -4.128 11.998 0.000) 12.688 12.688 ( 11.008 0.336 0.000) 11.013 12.827 ( -6.736 -21.989 0.000) 22.998 13.421 ( -4.129 -0.424 0.000) 4.151 13.607 ( 5.881 3.473 0.000) 6.830 13.766 ( 0.808 0.048 0.000) 0.810 14.024 ( 0.195 -4.622 0.000) 4.626 14.585 ( -2.818 0.935 0.000) 2.969 14.606 ( -7.599 -0.103 0.000) 7.600 15.337 ( 4.282 2.086 0.000) 4.763 16.350 ( 0.778 -0.933 0.000) 1.215 16.652 ( -5.335 1.317 0.000) 5.495 19.184 ( -8.961 0.080 0.000) 8.961 20.452 ( -14.847 -0.094 0.000) 14.848 21.767 ( 1.872 0.566 0.000) 1.955 22.566 ( -5.318 2.342 0.000) 5.811 23.382 ( -8.431 2.006 0.000) 8.666 23.585 ( 0.943 0.489 0.000) 1.063 23.668 ( 12.936 -2.367 0.000) 13.150 24.018 ( 20.729 -2.733 0.000) 20.908 ======================= Grid point 48 (35/171) ======================= q-point: (-0.64 0.21 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.199 ( 1.526 -1.326 0.000) 2.021 4.268 ( 12.152 17.372 0.000) 21.200 4.445 ( -4.874 4.164 0.000) 6.411 4.730 ( -1.620 4.245 0.000) 4.544 4.919 ( 4.310 6.452 0.000) 7.759 4.942 ( -4.444 -2.801 0.000) 5.253 5.404 ( -2.255 -6.516 0.000) 6.895 5.744 ( -2.295 -11.771 0.000) 11.993 6.049 ( -15.158 4.175 0.000) 15.723 6.687 ( -19.786 -21.787 0.000) 29.430 6.891 ( 1.457 1.475 0.000) 2.073 7.843 ( 4.338 0.013 0.000) 4.338 7.982 ( -0.271 0.309 0.000) 0.411 8.257 ( 17.694 2.199 0.000) 17.830 8.876 ( 5.400 -0.765 0.000) 5.454 9.059 ( 8.137 -15.497 0.000) 17.503 9.563 ( -3.300 0.062 0.000) 3.300 9.690 ( -12.485 5.087 0.000) 13.481 9.947 ( -22.112 -2.697 0.000) 22.276 10.071 ( -6.021 -5.314 0.000) 8.031 10.465 ( -12.314 3.365 0.000) 12.766 10.668 ( -14.018 4.157 0.000) 14.621 10.849 ( -3.949 20.352 0.000) 20.732 11.011 ( -12.172 14.968 0.000) 19.292 11.635 ( -7.097 -0.030 0.000) 7.097 11.664 ( 23.241 -1.708 0.000) 23.303 12.020 ( -4.877 3.572 0.000) 6.046 12.139 ( 14.874 -3.715 0.000) 15.331 12.259 ( -20.577 2.725 0.000) 20.757 12.729 ( -19.197 -23.084 0.000) 30.024 12.981 ( 13.513 3.629 0.000) 13.992 13.298 ( -9.259 1.895 0.000) 9.451 13.612 ( 2.241 1.858 0.000) 2.911 13.771 ( -0.349 0.857 0.000) 0.925 13.911 ( -19.354 -8.085 0.000) 20.975 14.440 ( -6.500 1.513 0.000) 6.674 14.452 ( -9.075 -2.020 0.000) 9.297 15.323 ( -3.071 4.311 0.000) 5.293 16.350 ( -2.291 -0.667 0.000) 2.386 16.512 ( -6.894 -0.054 0.000) 6.894 18.988 ( -12.178 -2.214 0.000) 12.378 20.167 ( -16.207 -3.628 0.000) 16.608 21.782 ( 0.195 1.429 0.000) 1.442 22.461 ( -4.996 2.529 0.000) 5.600 23.198 ( -9.837 0.504 0.000) 9.850 23.614 ( 2.184 0.722 0.000) 2.300 23.917 ( 11.630 0.026 0.000) 11.630 24.444 ( 22.429 0.386 0.000) 22.433 ======================= Grid point 49 (36/171) ======================= q-point: (-0.57 0.21 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.132 ( -8.128 -3.277 0.000) 8.764 4.216 ( 1.454 28.640 0.000) 28.677 4.325 ( -2.773 15.061 0.000) 15.314 4.666 ( -2.254 1.572 0.000) 2.748 4.898 ( -2.569 -5.792 0.000) 6.336 4.931 ( -0.947 6.747 0.000) 6.813 5.400 ( -20.096 12.969 0.000) 23.917 5.452 ( 0.555 -9.182 0.000) 9.199 6.092 ( -1.084 -29.392 0.000) 29.412 6.462 ( -17.258 -19.333 0.000) 25.915 6.934 ( 2.830 0.627 0.000) 2.899 7.850 ( -5.227 5.923 0.000) 7.899 8.029 ( 4.103 0.370 0.000) 4.119 8.564 ( 14.867 1.338 0.000) 14.927 8.606 ( -22.699 -0.133 0.000) 22.699 9.351 ( 5.089 -5.154 0.000) 7.243 9.385 ( -36.796 -6.505 0.000) 37.366 9.491 ( -1.587 -5.016 0.000) 5.262 9.703 ( 7.735 -2.493 0.000) 8.126 9.912 ( -19.603 3.468 0.000) 19.907 10.215 ( -9.975 8.647 0.000) 13.201 10.344 ( -11.305 19.307 0.000) 22.373 10.408 ( -9.879 -0.847 0.000) 9.915 10.857 ( -5.516 13.691 0.000) 14.761 11.572 ( 0.629 4.541 0.000) 4.585 11.714 ( -23.692 0.393 0.000) 23.696 11.796 ( -24.604 -4.070 0.000) 24.939 12.032 ( 6.062 -1.514 0.000) 6.248 12.445 ( 2.004 -3.720 0.000) 4.225 12.540 ( -9.880 -15.684 0.000) 18.537 12.612 ( -26.063 8.866 0.000) 27.530 13.253 ( -22.237 -11.698 0.000) 25.127 13.663 ( 8.618 1.039 0.000) 8.680 13.714 ( -4.742 4.289 0.000) 6.394 13.736 ( 10.966 -2.088 0.000) 11.163 14.290 ( -9.570 -3.707 0.000) 10.263 14.406 ( 3.134 1.831 0.000) 3.629 15.234 ( -0.181 2.961 0.000) 2.967 16.252 ( -6.914 1.917 0.000) 7.175 16.438 ( -3.040 -4.261 0.000) 5.235 18.751 ( -16.177 -6.849 0.000) 17.568 19.883 ( -18.904 -9.878 0.000) 21.329 21.731 ( -4.867 2.526 0.000) 5.483 22.286 ( -12.597 2.590 0.000) 12.860 22.991 ( -11.821 -0.228 0.000) 11.823 23.652 ( 2.771 1.844 0.000) 3.329 24.093 ( 7.343 2.819 0.000) 7.865 24.857 ( 21.964 3.378 0.000) 22.222 ======================= Grid point 50 (37/171) ======================= q-point: (-0.50 0.21 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.941 ( -6.507 32.449 0.000) 33.095 4.013 ( -5.459 -2.136 0.000) 5.862 4.063 ( -10.580 21.778 0.000) 24.212 4.610 ( -3.273 0.272 0.000) 3.285 4.678 ( -10.931 23.285 0.000) 25.723 4.946 ( 1.419 -9.167 0.000) 9.276 5.087 ( -12.153 -9.998 0.000) 15.737 5.524 ( -1.139 -8.742 0.000) 8.815 6.165 ( -13.557 -23.719 0.000) 27.320 6.431 ( 0.434 -18.548 0.000) 18.553 6.968 ( 1.264 2.405 0.000) 2.717 7.408 ( -30.384 12.597 0.000) 32.892 7.945 ( -14.874 18.583 0.000) 23.803 8.353 ( -9.134 -9.177 0.000) 12.948 8.716 ( -37.561 -11.516 0.000) 39.287 8.760 ( 3.226 -2.336 0.000) 3.983 9.145 ( -10.336 11.078 0.000) 15.151 9.395 ( -17.494 6.321 0.000) 18.601 9.600 ( -19.934 2.574 0.000) 20.099 9.774 ( 11.326 -12.830 0.000) 17.114 9.937 ( -12.143 9.788 0.000) 15.597 10.243 ( -1.304 1.599 0.000) 2.063 10.366 ( 1.398 0.087 0.000) 1.400 10.562 ( -13.638 9.380 0.000) 16.552 11.128 ( -33.680 2.258 0.000) 33.756 11.375 ( -21.303 -4.212 0.000) 21.716 11.406 ( -26.636 15.913 0.000) 31.027 11.755 ( -18.671 1.771 0.000) 18.755 11.993 ( -10.237 -17.998 0.000) 20.706 12.633 ( 9.161 7.816 0.000) 12.042 12.693 ( -4.713 -9.747 0.000) 10.826 12.979 ( -1.450 -8.772 0.000) 8.891 13.527 ( -8.417 4.150 0.000) 9.384 13.859 ( 9.715 1.057 0.000) 9.773 14.130 ( 24.398 -5.306 0.000) 24.969 14.188 ( -3.791 -4.941 0.000) 6.228 14.492 ( 7.902 5.402 0.000) 9.572 15.341 ( 12.143 0.135 0.000) 12.144 16.076 ( -10.180 1.264 0.000) 10.258 16.428 ( -2.094 -5.914 0.000) 6.274 18.466 ( -21.411 -13.569 0.000) 25.348 19.580 ( -23.630 -18.237 0.000) 29.849 21.512 ( -17.219 3.452 0.000) 17.561 21.907 ( -25.802 1.822 0.000) 25.867 22.764 ( -11.383 -0.607 0.000) 11.399 23.696 ( 3.792 3.157 0.000) 4.934 24.145 ( 1.726 6.849 0.000) 7.064 25.232 ( 20.577 5.118 0.000) 21.204 ======================= Grid point 51 (38/171) ======================= q-point: (-0.43 0.21 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.491 ( -14.942 34.254 0.000) 37.371 3.604 ( -18.038 27.927 0.000) 33.246 3.957 ( -2.191 -0.215 0.000) 2.201 4.358 ( -4.948 17.193 0.000) 17.891 4.537 ( -4.377 -0.432 0.000) 4.398 4.964 ( -10.115 -12.173 0.000) 15.827 5.052 ( 0.519 -10.372 0.000) 10.385 5.471 ( -9.827 -1.948 0.000) 10.018 6.028 ( -17.183 -18.366 0.000) 25.151 6.576 ( -1.280 -11.518 0.000) 11.589 6.746 ( -29.597 -0.893 0.000) 29.610 6.863 ( -17.492 16.468 0.000) 24.025 7.178 ( -24.236 26.076 0.000) 35.600 8.015 ( -31.964 -6.799 0.000) 32.679 8.369 ( -10.897 -12.858 0.000) 16.854 8.682 ( -14.511 -4.681 0.000) 15.247 9.021 ( -14.146 2.860 0.000) 14.433 9.034 ( -35.654 -5.309 0.000) 36.047 9.111 ( -2.407 -3.815 0.000) 4.511 9.511 ( -28.745 10.019 0.000) 30.440 9.783 ( -21.192 12.805 0.000) 24.760 10.171 ( -11.058 26.294 0.000) 28.525 10.188 ( 2.961 -0.491 0.000) 3.002 10.339 ( -10.906 -9.988 0.000) 14.789 10.596 ( -12.582 2.154 0.000) 12.765 10.828 ( -13.779 -6.470 0.000) 15.222 11.152 ( -1.634 -3.012 0.000) 3.427 11.700 ( 7.937 12.562 0.000) 14.859 12.057 ( 3.017 -17.306 0.000) 17.567 12.594 ( 0.080 22.721 0.000) 22.722 12.700 ( 1.031 -13.501 0.000) 13.540 13.144 ( 6.868 -6.886 0.000) 9.726 13.489 ( 2.118 -10.646 0.000) 10.855 14.015 ( 6.685 0.170 0.000) 6.687 14.192 ( -0.239 -4.571 0.000) 4.577 14.598 ( 8.777 9.774 0.000) 13.136 14.724 ( 32.857 -7.377 0.000) 33.675 15.603 ( 10.468 7.557 0.000) 12.911 15.879 ( -6.072 -4.609 0.000) 7.623 16.461 ( 1.269 -8.342 0.000) 8.438 18.136 ( -25.991 -21.283 0.000) 33.594 19.241 ( -29.152 -26.921 0.000) 39.681 20.981 ( -35.862 3.362 0.000) 36.019 21.267 ( -40.159 0.148 0.000) 40.159 22.591 ( -6.685 -0.064 0.000) 6.685 23.749 ( 4.615 4.536 0.000) 6.472 24.063 ( -2.701 12.292 0.000) 12.585 25.576 ( 19.514 5.304 0.000) 20.222 ======================= Grid point 52 (39/171) ======================= q-point: (-0.36 0.21 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.869 ( -23.704 33.632 0.000) 41.146 2.986 ( -22.059 33.384 0.000) 40.014 3.877 ( -6.822 2.796 0.000) 7.372 4.250 ( 2.759 8.394 0.000) 8.836 4.439 ( -5.810 2.274 0.000) 6.240 4.868 ( -9.819 -11.723 0.000) 15.292 4.960 ( -12.534 9.570 0.000) 15.770 5.324 ( -6.207 -15.952 0.000) 17.118 5.496 ( -39.387 34.280 0.000) 52.216 6.071 ( -21.593 10.513 0.000) 24.016 6.331 ( -22.460 -14.468 0.000) 26.716 6.604 ( -10.057 -16.251 0.000) 19.111 7.058 ( 2.888 -2.448 0.000) 3.786 7.451 ( -31.035 -5.482 0.000) 31.516 8.197 ( -14.366 -7.150 0.000) 16.046 8.314 ( -19.604 3.578 0.000) 19.927 8.462 ( -25.397 -0.953 0.000) 25.415 8.627 ( -22.654 1.572 0.000) 22.709 8.866 ( -27.154 -6.150 0.000) 27.841 9.088 ( -21.426 13.434 0.000) 25.289 9.184 ( -10.288 -6.155 0.000) 11.988 9.850 ( -1.284 29.844 0.000) 29.871 10.024 ( -11.496 -0.252 0.000) 11.499 10.422 ( 6.418 -6.497 0.000) 9.132 10.631 ( 9.023 -3.279 0.000) 9.601 10.750 ( -2.868 -4.085 0.000) 4.991 11.328 ( 17.072 2.713 0.000) 17.287 11.816 ( 14.314 14.476 0.000) 20.358 12.248 ( 8.908 8.207 0.000) 12.113 12.523 ( 5.642 -4.451 0.000) 7.187 12.891 ( 6.057 -14.402 0.000) 15.624 13.303 ( 4.757 -7.260 0.000) 8.680 13.656 ( 1.975 -18.329 0.000) 18.435 14.097 ( 1.313 -0.507 0.000) 1.408 14.230 ( 0.796 -3.845 0.000) 3.927 14.657 ( 6.139 12.955 0.000) 14.336 15.383 ( -20.099 3.485 0.000) 20.399 15.507 ( 42.759 -6.122 0.000) 43.195 16.052 ( 13.430 5.902 0.000) 14.669 16.680 ( 15.556 -11.889 0.000) 19.579 17.815 ( -24.936 -27.419 0.000) 37.062 18.858 ( -33.597 -32.343 0.000) 46.636 20.114 ( -51.387 2.040 0.000) 51.427 20.374 ( -52.945 -0.585 0.000) 52.948 22.498 ( -3.020 1.458 0.000) 3.353 23.798 ( 4.348 6.095 0.000) 7.487 23.878 ( -4.347 18.101 0.000) 18.615 25.906 ( 18.424 3.577 0.000) 18.768 ======================= Grid point 53 (40/171) ======================= q-point: (-0.29 0.21 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( -26.068 31.854 0.000) 41.160 2.324 ( -17.497 38.666 0.000) 42.441 3.640 ( -13.135 3.477 0.000) 13.587 4.200 ( -11.484 35.627 0.000) 37.432 4.287 ( -3.426 10.480 0.000) 11.026 4.424 ( -13.059 24.803 0.000) 28.031 4.641 ( -12.210 8.424 0.000) 14.834 4.920 ( -0.273 -5.068 0.000) 5.075 5.415 ( 2.338 -18.121 0.000) 18.272 5.584 ( -29.046 -6.605 0.000) 29.788 6.002 ( -22.074 -10.923 0.000) 24.629 6.668 ( 7.498 -13.896 0.000) 15.790 6.988 ( -19.300 -7.935 0.000) 20.868 7.150 ( 0.281 -9.162 0.000) 9.166 7.902 ( -23.546 1.058 0.000) 23.570 8.042 ( -6.769 -9.041 0.000) 11.295 8.119 ( -7.943 3.193 0.000) 8.561 8.248 ( -9.449 15.240 0.000) 17.932 8.503 ( -17.176 11.625 0.000) 20.740 8.603 ( -11.762 -13.091 0.000) 17.598 9.217 ( -0.054 -8.984 0.000) 8.984 9.631 ( 0.658 29.928 0.000) 29.935 9.853 ( -6.514 -0.050 0.000) 6.514 10.600 ( 6.341 -5.993 0.000) 8.725 10.739 ( -1.148 -3.337 0.000) 3.529 10.826 ( 6.600 -5.079 0.000) 8.329 11.681 ( 21.790 6.752 0.000) 22.812 12.005 ( 13.742 11.416 0.000) 17.865 12.383 ( 17.240 12.295 0.000) 21.175 12.769 ( 6.616 -14.957 0.000) 16.355 13.081 ( 3.549 -10.596 0.000) 11.175 13.461 ( 5.385 -10.290 0.000) 11.614 13.794 ( -4.794 -25.565 0.000) 26.011 14.060 ( -5.395 -0.681 0.000) 5.438 14.284 ( 2.795 -2.550 0.000) 3.784 14.647 ( 3.162 13.676 0.000) 14.036 14.902 ( -27.315 1.077 0.000) 27.336 16.230 ( 12.453 7.833 0.000) 14.712 16.375 ( 40.397 -3.312 0.000) 40.533 17.163 ( 23.470 -4.257 0.000) 23.853 17.670 ( -7.251 -26.881 0.000) 27.841 18.442 ( -31.664 -28.860 0.000) 42.843 19.053 ( -56.929 -2.334 0.000) 56.977 19.298 ( -55.422 1.356 0.000) 55.439 22.439 ( -1.328 4.110 0.000) 4.320 23.653 ( -3.161 21.987 0.000) 22.213 23.816 ( 2.667 7.967 0.000) 8.402 26.217 ( 14.325 -0.851 0.000) 14.350 ======================= Grid point 54 (41/171) ======================= q-point: (-0.21 0.21 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( -0.000 33.587 0.000) 33.587 1.836 ( -0.000 42.108 0.000) 42.108 3.468 ( -0.000 2.517 0.000) 2.517 3.484 ( -0.000 75.749 0.000) 75.749 4.172 ( -0.000 15.016 0.000) 15.016 4.368 ( 0.000 -1.628 0.000) 1.628 4.440 ( -0.000 5.294 0.000) 5.294 5.120 ( 0.000 -8.695 0.000) 8.695 5.221 ( 0.000 -14.311 0.000) 14.311 5.678 ( 0.000 -16.772 0.000) 16.772 5.716 ( 0.000 -5.575 0.000) 5.575 6.882 ( 0.000 -11.953 0.000) 11.953 7.003 ( 0.000 -19.729 0.000) 19.729 7.155 ( 0.000 -5.971 0.000) 5.971 7.545 ( -0.000 7.798 0.000) 7.798 7.981 ( -0.000 23.743 0.000) 23.743 8.047 ( -0.000 0.051 0.000) 0.051 8.059 ( 0.000 -7.773 0.000) 7.773 8.341 ( -0.000 1.649 0.000) 1.649 8.555 ( 0.000 -6.539 0.000) 6.539 9.286 ( 0.000 -8.717 0.000) 8.717 9.425 ( -0.000 28.136 0.000) 28.136 9.782 ( -0.000 1.462 0.000) 1.462 10.715 ( 0.000 -6.876 0.000) 6.876 10.759 ( 0.000 -5.534 0.000) 5.534 10.931 ( 0.000 -5.004 0.000) 5.004 11.935 ( 0.000 -0.224 0.000) 0.224 12.084 ( -0.000 8.688 0.000) 8.688 12.661 ( -0.000 0.425 0.000) 0.425 12.848 ( 0.000 -1.208 0.000) 1.208 13.183 ( 0.000 -7.877 0.000) 7.877 13.621 ( 0.000 -12.086 0.000) 12.086 13.897 ( 0.000 -31.227 0.000) 31.227 13.975 ( -0.000 0.090 0.000) 0.090 14.375 ( 0.000 -0.369 0.000) 0.369 14.494 ( -0.000 2.197 0.000) 2.197 14.578 ( -0.000 13.370 0.000) 13.370 16.396 ( 0.000 -0.147 0.000) 0.147 16.855 ( 0.000 -6.687 0.000) 6.687 17.282 ( -0.000 22.245 0.000) 22.245 17.975 ( 0.000 -0.418 0.000) 0.418 18.263 ( 0.000 -25.744 0.000) 25.744 18.367 ( 0.000 -26.235 0.000) 26.235 18.579 ( 0.000 -0.114 0.000) 0.114 22.381 ( -0.000 8.075 0.000) 8.075 23.457 ( -0.000 21.873 0.000) 21.873 23.777 ( -0.000 9.905 0.000) 9.905 26.403 ( 0.000 -5.119 0.000) 5.119 ======================= Grid point 61 (42/171) ======================= q-point: ( 0.29 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.186 ( 0.454 -0.000 0.000) 0.454 4.404 ( 17.133 -0.000 0.000) 17.133 4.477 ( -1.862 0.000 0.000) 1.862 4.781 ( -0.939 0.000 0.000) 0.939 4.908 ( -6.062 0.000 0.000) 6.062 5.020 ( 0.998 -0.000 0.000) 0.998 5.352 ( -2.981 0.000 0.000) 2.981 5.532 ( 2.180 -0.000 0.000) 2.180 6.279 ( -13.369 0.000 0.000) 13.369 6.388 ( -25.170 0.000 0.000) 25.170 6.905 ( 0.401 -0.000 0.000) 0.401 7.842 ( 4.771 -0.000 0.000) 4.771 7.983 ( -0.432 0.000 0.000) 0.432 8.278 ( 17.819 -0.000 0.000) 17.819 8.868 ( 9.124 -0.000 0.000) 9.124 8.938 ( 8.166 -0.000 0.000) 8.166 9.562 ( -7.241 0.000 0.000) 7.241 9.733 ( -13.966 0.000 0.000) 13.966 9.928 ( -23.043 0.000 0.000) 23.043 10.028 ( -5.288 0.000 0.000) 5.288 10.497 ( -9.900 0.000 0.000) 9.900 10.698 ( -15.482 0.000 0.000) 15.482 10.989 ( 5.994 -0.000 0.000) 5.994 11.163 ( -19.359 0.000 0.000) 19.359 11.635 ( -6.564 0.000 0.000) 6.564 11.644 ( 22.268 -0.000 0.000) 22.268 12.028 ( -8.659 0.000 0.000) 8.659 12.109 ( 14.218 -0.000 0.000) 14.218 12.351 ( -21.563 0.000 0.000) 21.563 12.484 ( -15.100 0.000 0.000) 15.100 13.010 ( 17.721 -0.000 0.000) 17.721 13.314 ( -11.086 0.000 0.000) 11.086 13.634 ( 0.172 -0.000 0.000) 0.172 13.778 ( 0.221 -0.000 0.000) 0.221 13.840 ( -18.974 0.000 0.000) 18.974 14.436 ( -9.659 0.000 0.000) 9.659 14.451 ( -6.869 0.000 0.000) 6.869 15.356 ( -3.228 0.000 0.000) 3.228 16.344 ( -1.306 0.000 0.000) 1.306 16.513 ( -8.405 0.000 0.000) 8.405 18.971 ( -13.130 0.000 0.000) 13.130 20.140 ( -17.460 0.000 0.000) 17.460 21.793 ( 0.355 -0.000 0.000) 0.355 22.481 ( -5.310 0.000 0.000) 5.310 23.203 ( -10.271 0.000 0.000) 10.271 23.619 ( 2.371 -0.000 0.000) 2.371 23.917 ( 12.517 -0.000 0.000) 12.517 24.445 ( 23.572 -0.000 0.000) 23.572 ======================= Grid point 62 (43/171) ======================= q-point: (-0.64 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.097 ( -7.492 -1.345 0.000) 7.611 4.506 ( 3.818 7.795 0.000) 8.680 4.580 ( 5.690 16.198 0.000) 17.169 4.704 ( -4.434 3.565 0.000) 5.690 4.809 ( -5.871 -6.099 0.000) 8.466 4.973 ( -2.501 2.815 0.000) 3.765 5.343 ( -0.053 -4.474 0.000) 4.474 5.679 ( 4.393 -9.723 0.000) 10.670 5.726 ( -25.089 14.569 0.000) 29.012 6.130 ( -18.280 -24.612 0.000) 30.657 6.942 ( 3.079 0.314 0.000) 3.095 7.908 ( 1.568 1.950 0.000) 2.502 8.027 ( 4.594 -0.280 0.000) 4.602 8.590 ( 14.339 1.485 0.000) 14.416 8.597 ( -31.384 -0.575 0.000) 31.389 9.202 ( 15.116 -7.330 0.000) 16.800 9.320 ( -38.052 -2.229 0.000) 38.117 9.521 ( -7.402 2.394 0.000) 7.779 9.660 ( 11.340 -2.118 0.000) 11.536 9.912 ( -9.239 -0.910 0.000) 9.284 10.327 ( -8.603 5.634 0.000) 10.284 10.393 ( -14.420 -1.654 0.000) 14.515 10.679 ( -20.054 18.958 0.000) 27.597 11.013 ( -4.797 6.620 0.000) 8.176 11.531 ( -39.005 -14.587 0.000) 41.644 11.633 ( 6.008 2.815 0.000) 6.635 11.801 ( -9.056 -0.717 0.000) 9.084 12.063 ( -19.841 4.280 0.000) 20.297 12.365 ( 10.860 -7.257 0.000) 13.061 12.382 ( 10.516 -3.181 0.000) 10.986 12.797 ( -36.460 14.155 0.000) 39.111 13.054 ( -24.827 -14.282 0.000) 28.642 13.673 ( 13.222 0.337 0.000) 13.226 13.717 ( 7.795 -0.601 0.000) 7.819 13.768 ( -0.821 2.285 0.000) 2.428 14.247 ( -10.602 -1.782 0.000) 10.750 14.425 ( 4.031 0.735 0.000) 4.097 15.266 ( -2.839 1.206 0.000) 3.084 16.290 ( -4.281 2.822 0.000) 5.128 16.376 ( -6.043 -3.661 0.000) 7.065 18.681 ( -18.245 -2.456 0.000) 18.410 19.784 ( -21.267 -3.444 0.000) 21.544 21.758 ( -4.555 0.978 0.000) 4.659 22.315 ( -12.868 1.133 0.000) 12.917 22.989 ( -12.095 -0.037 0.000) 12.095 23.669 ( 3.056 0.586 0.000) 3.112 24.120 ( 8.580 0.895 0.000) 8.627 24.887 ( 22.445 0.934 0.000) 22.465 ======================= Grid point 63 (44/171) ======================= q-point: (-0.57 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.985 ( -4.498 -1.443 0.000) 4.724 4.374 ( -6.444 19.776 0.000) 20.799 4.402 ( -5.677 28.148 0.000) 28.715 4.621 ( -3.564 0.893 0.000) 3.674 4.808 ( -0.488 -9.969 0.000) 9.980 4.894 ( -5.803 -0.234 0.000) 5.808 5.110 ( -21.190 18.099 0.000) 27.867 5.388 ( -1.015 -8.493 0.000) 8.554 5.821 ( -8.814 -20.510 0.000) 22.324 6.100 ( -1.388 -24.963 0.000) 25.001 6.997 ( 2.618 1.251 0.000) 2.902 7.624 ( -30.921 16.213 0.000) 34.914 8.097 ( 0.129 3.970 0.000) 3.973 8.153 ( -12.146 -16.643 0.000) 20.604 8.584 ( -40.605 -6.196 0.000) 41.075 8.766 ( 4.046 1.860 0.000) 4.453 9.345 ( -9.623 10.870 0.000) 14.518 9.487 ( -19.117 5.340 0.000) 19.849 9.616 ( 9.120 -5.278 0.000) 10.537 9.625 ( -23.028 1.000 0.000) 23.049 10.077 ( -7.627 9.310 0.000) 12.035 10.290 ( -5.663 7.474 0.000) 9.377 10.328 ( 4.311 -5.594 0.000) 7.062 10.717 ( -19.483 8.230 0.000) 21.150 10.999 ( -29.806 -17.503 0.000) 34.565 11.400 ( -24.930 6.846 0.000) 25.853 11.627 ( -32.461 12.829 0.000) 34.904 11.733 ( -14.345 -15.939 0.000) 21.444 11.863 ( -9.852 11.267 0.000) 14.967 12.518 ( -8.906 -13.013 0.000) 15.769 12.696 ( 17.286 1.753 0.000) 17.375 12.858 ( 2.024 -7.071 0.000) 7.356 13.665 ( -5.682 12.325 0.000) 13.572 13.868 ( 8.680 0.292 0.000) 8.685 14.066 ( 22.637 -3.112 0.000) 22.850 14.099 ( -6.514 -7.312 0.000) 9.793 14.558 ( 10.350 3.300 0.000) 10.864 15.329 ( 10.629 -1.205 0.000) 10.697 16.125 ( -9.519 4.981 0.000) 10.744 16.335 ( -3.204 -6.673 0.000) 7.403 18.307 ( -24.677 -7.691 0.000) 25.848 19.372 ( -26.763 -9.787 0.000) 28.497 21.554 ( -17.074 2.161 0.000) 17.210 21.935 ( -26.278 1.660 0.000) 26.331 22.757 ( -11.390 -0.337 0.000) 11.395 23.729 ( 3.962 1.427 0.000) 4.211 24.222 ( 3.663 3.510 0.000) 5.073 25.282 ( 19.941 1.982 0.000) 20.040 ======================= Grid point 64 (45/171) ======================= q-point: (-0.50 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.938 ( -4.057 3.768 0.000) 5.537 3.977 ( -16.143 30.585 0.000) 34.584 4.024 ( -9.910 22.283 0.000) 24.387 4.537 ( -4.367 0.187 0.000) 4.371 4.632 ( -10.036 19.028 0.000) 21.512 4.813 ( -9.274 -8.094 0.000) 12.310 4.891 ( 0.502 -10.543 0.000) 10.555 5.391 ( -6.734 -8.524 0.000) 10.863 5.736 ( -13.564 -19.298 0.000) 23.587 6.286 ( -1.335 -22.704 0.000) 22.744 6.811 ( -38.538 8.589 0.000) 39.484 7.001 ( -0.551 4.101 0.000) 4.138 7.698 ( -29.671 34.962 0.000) 45.855 7.897 ( -35.223 -8.608 0.000) 36.260 8.136 ( -6.958 -16.861 0.000) 18.240 8.652 ( -12.200 2.016 0.000) 12.366 8.964 ( -40.690 -3.063 0.000) 40.805 9.019 ( -6.235 -2.589 0.000) 6.751 9.126 ( -18.216 4.564 0.000) 18.779 9.694 ( -28.952 12.993 0.000) 31.734 9.875 ( -3.811 -1.262 0.000) 4.014 10.195 ( -6.343 3.066 0.000) 7.045 10.236 ( -16.019 -4.463 0.000) 16.629 10.475 ( 4.183 8.463 0.000) 9.440 10.596 ( -16.886 -3.935 0.000) 17.339 10.754 ( -25.668 2.586 0.000) 25.798 11.108 ( 0.644 -0.314 0.000) 0.716 11.746 ( 0.749 -21.989 0.000) 22.001 11.933 ( 12.821 17.754 0.000) 21.899 12.493 ( -1.032 -13.864 0.000) 13.902 12.905 ( 7.984 15.586 0.000) 17.512 13.041 ( 7.474 -7.405 0.000) 10.521 13.445 ( -5.103 6.078 0.000) 7.936 14.015 ( 6.190 -0.128 0.000) 6.191 14.100 ( -0.818 -8.479 0.000) 8.518 14.613 ( 30.689 -5.861 0.000) 31.243 14.737 ( 12.980 7.261 0.000) 14.872 15.674 ( 22.303 1.091 0.000) 22.330 15.857 ( -14.164 2.406 0.000) 14.366 16.346 ( -0.403 -7.224 0.000) 7.235 17.862 ( -29.893 -15.343 0.000) 33.601 18.912 ( -31.353 -17.545 0.000) 35.929 21.028 ( -36.188 2.857 0.000) 36.301 21.283 ( -40.304 1.534 0.000) 40.333 22.588 ( -6.235 -0.257 0.000) 6.241 23.798 ( 4.621 2.295 0.000) 5.159 24.212 ( -0.117 7.848 0.000) 7.849 25.626 ( 17.626 1.946 0.000) 17.733 ======================= Grid point 65 (46/171) ======================= q-point: (-0.43 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.338 ( -26.993 29.491 0.000) 39.980 3.470 ( -18.282 31.671 0.000) 36.569 3.923 ( -5.139 3.352 0.000) 6.136 4.406 ( -1.584 12.304 0.000) 12.406 4.467 ( -2.129 1.754 0.000) 2.758 4.712 ( -8.079 -9.089 0.000) 12.160 4.968 ( -0.416 -8.909 0.000) 8.918 5.194 ( -17.296 -2.444 0.000) 17.467 5.554 ( -19.759 -11.560 0.000) 22.892 6.164 ( -26.579 -6.952 0.000) 27.473 6.319 ( -11.069 -20.047 0.000) 22.900 6.653 ( -26.659 50.749 0.000) 57.325 7.042 ( -4.045 0.908 0.000) 4.146 7.346 ( -29.783 -8.830 0.000) 31.064 8.073 ( -13.608 -9.589 0.000) 16.647 8.320 ( -25.339 -12.735 0.000) 28.359 8.338 ( -19.614 0.782 0.000) 19.630 8.696 ( -19.409 6.114 0.000) 20.349 8.909 ( -36.106 7.618 0.000) 36.901 9.017 ( -2.574 -10.809 0.000) 11.112 9.347 ( -27.207 15.644 0.000) 31.384 9.993 ( -12.978 -4.384 0.000) 13.698 10.266 ( -1.865 25.796 0.000) 25.864 10.340 ( 8.574 -3.830 0.000) 9.391 10.543 ( 3.580 -9.277 0.000) 9.944 10.690 ( 1.272 -4.139 0.000) 4.330 11.326 ( 17.676 -1.292 0.000) 17.723 12.039 ( 10.644 -23.733 0.000) 26.010 12.054 ( 13.419 16.881 0.000) 21.564 12.660 ( 5.542 -15.481 0.000) 16.443 12.767 ( -1.545 25.013 0.000) 25.061 13.210 ( 5.228 -5.945 0.000) 7.917 13.451 ( 0.534 -9.803 0.000) 9.817 14.090 ( 1.009 -0.463 0.000) 1.110 14.160 ( 1.479 -5.741 0.000) 5.929 14.831 ( 7.020 10.174 0.000) 12.361 15.429 ( 45.988 -4.027 0.000) 46.164 15.446 ( -21.861 4.759 0.000) 22.373 16.144 ( 18.939 6.108 0.000) 19.900 16.517 ( 17.341 -10.223 0.000) 20.130 17.435 ( -27.784 -23.534 0.000) 36.411 18.451 ( -31.669 -22.956 0.000) 39.114 20.151 ( -52.245 2.681 0.000) 52.314 20.388 ( -51.355 1.763 0.000) 51.386 22.509 ( -2.509 0.301 0.000) 2.527 23.865 ( 4.275 3.200 0.000) 5.340 24.112 ( -1.839 13.362 0.000) 13.488 25.931 ( 15.096 0.377 0.000) 15.101 ======================= Grid point 66 (47/171) ======================= q-point: (-0.36 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.574 ( -27.358 28.335 0.000) 39.387 2.889 ( -14.105 37.503 0.000) 40.068 3.697 ( -13.183 4.037 0.000) 13.787 4.352 ( 0.800 4.842 0.000) 4.907 4.411 ( -0.281 6.746 0.000) 6.752 4.648 ( -3.433 -3.884 0.000) 5.184 4.764 ( -16.208 7.256 0.000) 17.759 5.125 ( -20.750 9.858 0.000) 22.973 5.164 ( 6.093 -15.458 0.000) 16.616 5.760 ( -23.526 41.634 0.000) 47.821 5.832 ( -18.333 -11.442 0.000) 21.611 6.390 ( 1.072 -20.807 0.000) 20.834 6.888 ( -21.160 -5.840 0.000) 21.951 7.045 ( -0.807 -5.521 0.000) 5.580 7.868 ( -9.833 -13.998 0.000) 17.107 7.929 ( -20.183 2.597 0.000) 20.349 8.131 ( -8.594 -3.357 0.000) 9.226 8.400 ( -5.374 6.103 0.000) 8.132 8.421 ( -13.881 -9.114 0.000) 16.605 8.752 ( -18.484 18.578 0.000) 26.207 9.083 ( -0.015 -7.900 0.000) 7.900 9.839 ( -5.725 -1.844 0.000) 6.015 10.061 ( 0.261 27.694 0.000) 27.695 10.507 ( 5.048 -6.516 0.000) 8.243 10.718 ( 4.987 -9.879 0.000) 11.067 10.719 ( 0.379 0.122 0.000) 0.398 11.693 ( 16.278 -3.361 0.000) 16.621 12.191 ( 11.485 13.307 0.000) 17.578 12.433 ( 12.141 -19.335 0.000) 22.831 12.634 ( 2.887 10.292 0.000) 10.690 12.877 ( 3.986 -16.084 0.000) 16.571 13.345 ( 4.780 -5.742 0.000) 7.472 13.511 ( -3.302 -12.349 0.000) 12.783 14.051 ( -4.999 -0.479 0.000) 5.022 14.248 ( 4.963 -2.445 0.000) 5.533 14.841 ( 3.048 12.420 0.000) 12.789 14.950 ( -25.077 4.658 0.000) 25.506 16.316 ( 7.349 3.925 0.000) 8.331 16.338 ( 40.008 -1.473 0.000) 40.035 17.136 ( 37.067 -0.055 0.000) 37.067 17.272 ( -1.776 -26.647 0.000) 26.706 18.069 ( -24.100 -22.008 0.000) 32.637 19.044 ( -60.224 0.607 0.000) 60.227 19.333 ( -54.642 3.010 0.000) 54.725 22.474 ( -0.890 1.172 0.000) 1.472 23.906 ( 2.650 4.398 0.000) 5.135 23.958 ( -1.704 18.635 0.000) 18.712 26.188 ( 10.195 -2.712 0.000) 10.550 ======================= Grid point 67 (48/171) ======================= q-point: (-0.29 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( -0.000 30.323 0.000) 30.323 2.449 ( -0.000 41.065 0.000) 41.065 3.513 ( -0.000 3.602 0.000) 3.602 4.344 ( 0.000 -1.546 0.000) 1.546 4.368 ( -0.000 11.333 0.000) 11.333 4.445 ( -0.000 45.868 0.000) 45.868 4.515 ( -0.000 4.685 0.000) 4.685 4.998 ( 0.000 -15.812 0.000) 15.812 5.199 ( -0.000 28.093 0.000) 28.093 5.429 ( 0.000 -16.732 0.000) 16.732 5.630 ( 0.000 -5.926 0.000) 5.926 6.631 ( 0.000 -28.068 0.000) 28.068 6.729 ( 0.000 -8.529 0.000) 8.529 7.067 ( 0.000 -5.736 0.000) 5.736 7.656 ( -0.000 7.134 0.000) 7.134 7.897 ( 0.000 -14.340 0.000) 14.340 8.047 ( -0.000 0.041 0.000) 0.041 8.363 ( -0.000 1.264 0.000) 1.264 8.374 ( -0.000 27.145 0.000) 27.145 8.397 ( 0.000 -13.539 0.000) 13.539 9.150 ( 0.000 -9.463 0.000) 9.463 9.791 ( 0.000 -0.205 0.000) 0.205 9.856 ( -0.000 29.167 0.000) 29.167 10.612 ( 0.000 -7.222 0.000) 7.222 10.718 ( 0.000 -0.241 0.000) 0.241 10.837 ( 0.000 -8.182 0.000) 8.182 11.901 ( 0.000 -4.506 0.000) 4.506 12.230 ( -0.000 11.026 0.000) 11.026 12.668 ( -0.000 0.427 0.000) 0.427 12.718 ( 0.000 -17.187 0.000) 17.187 13.027 ( 0.000 -13.915 0.000) 13.915 13.459 ( 0.000 -8.572 0.000) 8.572 13.543 ( 0.000 -14.577 0.000) 14.577 13.977 ( -0.000 0.090 0.000) 0.090 14.369 ( 0.000 -0.371 0.000) 0.371 14.561 ( -0.000 6.048 0.000) 6.048 14.776 ( -0.000 13.127 0.000) 13.127 16.394 ( 0.000 -0.146 0.000) 0.146 16.730 ( 0.000 -10.448 0.000) 10.448 17.573 ( -0.000 17.148 0.000) 17.148 17.939 ( 0.000 -17.909 0.000) 17.909 17.969 ( 0.000 -0.418 0.000) 0.418 18.004 ( 0.000 -22.584 0.000) 22.584 18.578 ( 0.000 -0.114 0.000) 0.114 22.452 ( -0.000 2.513 0.000) 2.513 23.788 ( -0.000 21.900 0.000) 21.900 23.894 ( -0.000 6.087 0.000) 6.087 26.326 ( 0.000 -5.155 0.000) 5.155 ======================= Grid point 76 (49/171) ======================= q-point: (-0.64 0.36 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.974 ( -4.087 0.000 0.000) 4.087 4.612 ( -7.368 0.000 0.000) 7.368 4.628 ( -5.338 0.000 0.000) 5.338 4.647 ( -6.332 0.000 0.000) 6.332 4.650 ( 3.159 -0.000 0.000) 3.159 4.880 ( -7.340 0.000 0.000) 7.340 5.289 ( -24.571 0.000 0.000) 24.571 5.317 ( -1.476 0.000 0.000) 1.476 5.712 ( -12.477 0.000 0.000) 12.477 5.801 ( 7.931 -0.000 0.000) 7.931 7.006 ( 2.992 -0.000 0.000) 2.992 7.835 ( -44.024 0.000 0.000) 44.024 7.936 ( -0.601 0.000 0.000) 0.601 8.119 ( 3.526 -0.000 0.000) 3.526 8.538 ( -41.250 0.000 0.000) 41.250 8.784 ( 4.747 -0.000 0.000) 4.747 9.415 ( -6.671 0.000 0.000) 6.671 9.480 ( 9.757 -0.000 0.000) 9.757 9.632 ( -23.842 0.000 0.000) 23.842 9.644 ( -16.679 0.000 0.000) 16.679 10.195 ( 5.432 -0.000 0.000) 5.432 10.233 ( -7.797 0.000 0.000) 7.797 10.430 ( -13.853 0.000 0.000) 13.853 10.688 ( -34.030 0.000 0.000) 34.030 10.864 ( -14.639 0.000 0.000) 14.639 11.506 ( -29.321 0.000 0.000) 29.321 11.562 ( -13.079 0.000 0.000) 13.079 11.732 ( -31.582 0.000 0.000) 31.582 11.985 ( -9.529 0.000 0.000) 9.529 12.388 ( -8.929 0.000 0.000) 8.929 12.706 ( 18.946 -0.000 0.000) 18.946 12.799 ( 3.217 -0.000 0.000) 3.217 13.794 ( 2.363 -0.000 0.000) 2.363 13.870 ( 8.351 -0.000 0.000) 8.351 14.014 ( -13.067 0.000 0.000) 13.067 14.043 ( 21.906 -0.000 0.000) 21.906 14.583 ( 11.215 -0.000 0.000) 11.215 15.318 ( 9.581 -0.000 0.000) 9.581 16.190 ( -10.703 0.000 0.000) 10.703 16.258 ( -1.830 0.000 0.000) 1.830 18.249 ( -25.897 0.000 0.000) 25.897 19.299 ( -27.863 0.000 0.000) 27.863 21.571 ( -17.017 0.000 0.000) 17.017 21.948 ( -26.451 0.000 0.000) 26.451 22.754 ( -11.419 0.000 0.000) 11.419 23.739 ( 3.996 -0.000 0.000) 3.996 24.247 ( 4.349 -0.000 0.000) 4.349 25.296 ( 19.718 -0.000 0.000) 19.718 ======================= Grid point 78 (50/171) ======================= q-point: (-0.57 0.36 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.947 ( 0.531 -0.004 0.000) 0.531 4.334 ( -19.649 15.211 0.000) 24.849 4.346 ( -11.443 17.094 0.000) 20.570 4.526 ( -5.418 -2.639 0.000) 6.027 4.732 ( -8.433 -2.593 0.000) 8.822 4.758 ( 2.164 -6.590 0.000) 6.936 4.858 ( -15.821 8.587 0.000) 18.001 5.270 ( -6.256 -5.771 0.000) 8.511 5.530 ( -9.591 -6.560 0.000) 11.620 5.982 ( 1.697 -15.009 0.000) 15.104 6.942 ( -44.253 6.585 0.000) 44.740 7.034 ( -0.189 0.886 0.000) 0.906 7.775 ( -36.107 -6.490 0.000) 36.686 7.951 ( -4.408 -6.495 0.000) 7.849 8.047 ( -11.999 11.060 0.000) 16.319 8.749 ( -9.483 8.271 0.000) 12.583 8.940 ( -42.326 -0.641 0.000) 42.331 8.986 ( -25.948 -1.635 0.000) 26.000 9.182 ( -17.518 2.217 0.000) 17.657 9.817 ( 7.379 -3.477 0.000) 8.157 9.854 ( -33.124 7.162 0.000) 33.889 10.181 ( -17.563 -2.921 0.000) 17.804 10.255 ( -11.871 3.231 0.000) 12.303 10.429 ( 10.858 -5.872 0.000) 12.344 10.489 ( -19.602 -6.962 0.000) 20.801 10.895 ( -26.728 8.212 0.000) 27.961 11.184 ( 2.045 8.927 0.000) 9.158 11.462 ( -1.625 -15.263 0.000) 15.349 12.169 ( 9.973 12.665 0.000) 16.120 12.317 ( 3.524 -9.557 0.000) 10.186 12.941 ( 7.365 -4.843 0.000) 8.815 13.021 ( 14.024 2.314 0.000) 14.214 13.641 ( -12.547 16.213 0.000) 20.502 13.939 ( 0.693 -12.699 0.000) 12.718 14.013 ( 6.038 -0.078 0.000) 6.038 14.550 ( 31.077 -2.354 0.000) 31.166 14.814 ( 13.799 2.824 0.000) 14.085 15.662 ( 25.561 -1.150 0.000) 25.587 15.916 ( -16.402 3.498 0.000) 16.771 16.260 ( 0.350 -3.781 0.000) 3.797 17.704 ( -32.367 -5.667 0.000) 32.859 18.736 ( -32.450 -6.134 0.000) 33.024 21.058 ( -36.370 1.101 0.000) 36.387 21.301 ( -40.438 0.734 0.000) 40.445 22.585 ( -6.044 -0.115 0.000) 6.045 23.820 ( 4.547 0.676 0.000) 4.597 24.290 ( 1.259 2.682 0.000) 2.963 25.642 ( 16.679 0.445 0.000) 16.685 ======================= Grid point 79 (51/171) ======================= q-point: (-0.50 0.36 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.707 ( -31.270 19.500 0.000) 36.852 3.859 ( -12.259 16.442 0.000) 20.509 3.993 ( -8.416 9.199 0.000) 12.468 4.489 ( 1.085 0.824 0.000) 1.363 4.577 ( -7.035 9.048 0.000) 11.461 4.608 ( -7.022 -4.778 0.000) 8.494 4.829 ( 0.828 -7.503 0.000) 7.548 5.129 ( -14.428 -6.879 0.000) 15.984 5.396 ( -11.161 -7.141 0.000) 13.250 6.017 ( -10.893 -18.825 0.000) 21.749 6.136 ( -33.557 1.925 0.000) 33.612 6.997 ( -2.041 0.704 0.000) 2.159 7.202 ( -28.519 -9.529 0.000) 30.069 7.425 ( -25.822 41.890 0.000) 49.210 7.938 ( -5.436 -7.431 0.000) 9.207 8.179 ( -34.376 -5.974 0.000) 34.891 8.358 ( -19.790 2.619 0.000) 19.962 8.768 ( -19.109 1.794 0.000) 19.193 8.841 ( -7.349 -12.066 0.000) 14.127 9.012 ( -41.508 5.400 0.000) 41.858 9.562 ( -21.034 13.447 0.000) 24.965 9.896 ( -10.821 -8.409 0.000) 13.704 10.307 ( 3.719 -2.053 0.000) 4.248 10.369 ( 1.798 -11.720 0.000) 11.857 10.582 ( -2.888 16.228 0.000) 16.483 10.634 ( 6.609 -3.008 0.000) 7.262 11.340 ( 15.831 4.385 0.000) 16.427 11.711 ( 12.346 -19.526 0.000) 23.102 12.231 ( 5.715 3.003 0.000) 6.456 12.520 ( 10.293 0.316 0.000) 10.298 13.099 ( -5.157 17.816 0.000) 18.547 13.118 ( 6.354 -6.436 0.000) 9.044 13.356 ( -3.339 -3.315 0.000) 4.705 14.065 ( 4.564 -6.580 0.000) 8.008 14.085 ( 0.906 -0.255 0.000) 0.941 14.942 ( 8.764 4.639 0.000) 9.916 15.397 ( 48.719 -0.453 0.000) 48.721 15.512 ( -22.614 3.789 0.000) 22.929 16.225 ( 21.070 4.912 0.000) 21.635 16.385 ( 20.642 -7.585 0.000) 21.991 17.149 ( -31.085 -14.389 0.000) 34.254 18.191 ( -30.354 -12.243 0.000) 32.730 20.185 ( -52.790 1.740 0.000) 52.818 20.413 ( -50.740 1.433 0.000) 50.760 22.511 ( -2.296 0.015 0.000) 2.296 23.897 ( 4.088 1.250 0.000) 4.275 24.263 ( -0.191 6.983 0.000) 6.986 25.929 ( 13.300 -0.359 0.000) 13.305 ======================= Grid point 80 (52/171) ======================= q-point: (-0.43 0.36 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.945 ( -28.905 21.340 0.000) 35.929 3.398 ( -12.152 30.578 0.000) 32.904 3.754 ( -13.226 3.498 0.000) 13.681 4.412 ( -6.492 2.797 0.000) 7.069 4.497 ( 1.265 5.144 0.000) 5.297 4.578 ( 1.885 -4.620 0.000) 4.989 4.822 ( -17.776 0.002 0.000) 17.776 4.976 ( 8.548 -9.721 0.000) 12.944 5.138 ( -18.153 0.773 0.000) 18.169 5.693 ( -16.206 -6.646 0.000) 17.516 5.963 ( -7.796 -22.306 0.000) 23.629 6.653 ( -13.460 55.316 0.000) 56.930 6.804 ( -19.210 -5.972 0.000) 20.117 6.981 ( -1.666 -3.276 0.000) 3.676 7.662 ( -16.132 -12.560 0.000) 20.445 7.969 ( -17.391 2.540 0.000) 17.576 8.018 ( -1.482 -9.595 0.000) 9.709 8.365 ( -22.421 -0.213 0.000) 22.422 8.462 ( -8.776 2.789 0.000) 9.208 8.817 ( -7.013 -10.686 0.000) 12.782 9.148 ( -8.125 16.418 0.000) 18.318 9.796 ( -4.472 -4.210 0.000) 6.142 10.390 ( 1.569 -10.884 0.000) 10.997 10.425 ( -0.084 21.192 0.000) 21.193 10.554 ( 5.209 -10.028 0.000) 11.300 10.728 ( 2.572 0.803 0.000) 2.695 11.630 ( 12.741 -3.822 0.000) 13.302 12.125 ( 13.596 -18.523 0.000) 22.977 12.337 ( 6.456 2.644 0.000) 6.977 12.690 ( 5.764 -4.908 0.000) 7.571 12.794 ( -9.867 8.588 0.000) 13.081 13.272 ( 5.353 -4.746 0.000) 7.154 13.409 ( 1.870 -2.807 0.000) 3.373 14.046 ( -4.658 -0.275 0.000) 4.667 14.214 ( 7.988 -2.108 0.000) 8.262 15.002 ( 3.405 9.101 0.000) 9.717 15.021 ( -24.190 4.506 0.000) 24.606 16.342 ( 36.223 2.468 0.000) 36.307 16.351 ( 3.977 1.133 0.000) 4.135 16.904 ( 5.281 -22.945 0.000) 23.545 17.150 ( 45.578 1.645 0.000) 45.608 17.799 ( -19.738 -14.577 0.000) 24.537 19.059 ( -62.176 1.154 0.000) 62.187 19.376 ( -54.453 2.566 0.000) 54.514 22.483 ( -0.755 0.277 0.000) 0.804 23.950 ( 2.498 1.852 0.000) 3.109 24.185 ( -0.534 12.001 0.000) 12.013 26.148 ( 8.151 -2.367 0.000) 8.488 ======================= Grid point 81 (53/171) ======================= q-point: (-0.36 0.36 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.462 ( -0.000 24.827 0.000) 24.827 3.025 ( -0.000 36.462 0.000) 36.462 3.569 ( -0.000 3.718 0.000) 3.718 4.327 ( 0.000 -0.587 0.000) 0.587 4.500 ( -0.000 6.649 0.000) 6.649 4.574 ( -0.000 3.293 0.000) 3.293 4.764 ( 0.000 -15.670 0.000) 15.670 4.797 ( -0.000 13.814 0.000) 13.814 5.202 ( 0.000 -13.643 0.000) 13.643 5.548 ( 0.000 -5.033 0.000) 5.033 5.886 ( -0.000 36.412 0.000) 36.412 6.287 ( 0.000 -1.935 0.000) 1.935 6.634 ( 0.000 -4.625 0.000) 4.625 6.992 ( 0.000 -4.451 0.000) 4.451 7.646 ( 0.000 -18.897 0.000) 18.897 7.750 ( -0.000 5.400 0.000) 5.400 8.048 ( -0.000 0.026 0.000) 0.026 8.197 ( 0.000 -12.663 0.000) 12.663 8.378 ( -0.000 0.750 0.000) 0.750 8.706 ( -0.000 13.371 0.000) 13.371 9.044 ( 0.000 -1.288 0.000) 1.288 9.776 ( 0.000 -1.924 0.000) 1.924 10.256 ( -0.000 24.721 0.000) 24.721 10.492 ( 0.000 -10.000 0.000) 10.000 10.686 ( 0.000 -11.583 0.000) 11.583 10.737 ( -0.000 2.158 0.000) 2.158 11.810 ( 0.000 -7.101 0.000) 7.101 12.381 ( -0.000 7.149 0.000) 7.149 12.413 ( 0.000 -20.597 0.000) 20.597 12.673 ( -0.000 0.344 0.000) 0.344 12.809 ( 0.000 -12.576 0.000) 12.576 13.369 ( 0.000 -4.555 0.000) 4.555 13.441 ( 0.000 -1.927 0.000) 1.927 13.978 ( -0.000 0.072 0.000) 0.072 14.364 ( 0.000 -0.299 0.000) 0.299 14.656 ( -0.000 6.364 0.000) 6.364 14.956 ( -0.000 11.213 0.000) 11.213 16.392 ( 0.000 -0.117 0.000) 0.117 16.553 ( 0.000 -13.001 0.000) 13.001 17.699 ( 0.000 -13.654 0.000) 13.654 17.740 ( 0.000 -9.423 0.000) 9.423 17.800 ( -0.000 8.869 0.000) 8.869 17.963 ( 0.000 -0.335 0.000) 0.335 18.576 ( 0.000 -0.091 0.000) 0.091 22.473 ( -0.000 0.664 0.000) 0.664 23.958 ( -0.000 2.849 0.000) 2.849 24.073 ( -0.000 16.343 0.000) 16.343 26.256 ( 0.000 -4.164 0.000) 4.164 ======================= Grid point 92 (54/171) ======================= q-point: (-0.57 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.862 ( -33.839 0.000 0.000) 33.839 3.937 ( -4.233 0.000 0.000) 4.233 4.127 ( -17.351 0.000 0.000) 17.351 4.489 ( 4.010 -0.000 0.000) 4.010 4.571 ( -7.066 0.000 0.000) 7.066 4.642 ( -9.674 0.000 0.000) 9.674 4.774 ( 1.583 -0.000 0.000) 1.583 5.058 ( -13.384 0.000 0.000) 13.384 5.359 ( -6.348 0.000 0.000) 6.348 5.852 ( -11.036 0.000 0.000) 11.036 6.162 ( -36.617 0.000 0.000) 36.617 6.998 ( -3.196 0.000 0.000) 3.196 7.120 ( -28.093 0.000 0.000) 28.093 7.783 ( -19.626 0.000 0.000) 19.626 7.881 ( -1.195 0.000 0.000) 1.195 8.137 ( -38.814 0.000 0.000) 38.814 8.409 ( -24.774 0.000 0.000) 24.774 8.665 ( -7.393 0.000 0.000) 7.393 8.808 ( -19.823 0.000 0.000) 19.823 9.053 ( -43.539 0.000 0.000) 43.539 9.721 ( -21.842 0.000 0.000) 21.842 9.773 ( -6.154 0.000 0.000) 6.154 10.238 ( -5.478 0.000 0.000) 5.478 10.318 ( 8.790 -0.000 0.000) 8.790 10.610 ( 8.766 -0.000 0.000) 8.766 10.709 ( -2.993 0.000 0.000) 2.993 11.440 ( 6.862 -0.000 0.000) 6.862 11.501 ( 20.959 -0.000 0.000) 20.959 12.213 ( 1.144 -0.000 0.000) 1.144 12.572 ( 13.261 -0.000 0.000) 13.261 13.057 ( 7.048 -0.000 0.000) 7.048 13.230 ( 0.904 -0.000 0.000) 0.904 13.346 ( -14.815 0.000 0.000) 14.815 14.006 ( 8.105 -0.000 0.000) 8.105 14.083 ( 0.884 -0.000 0.000) 0.884 14.973 ( 10.419 -0.000 0.000) 10.419 15.398 ( 49.341 -0.000 0.000) 49.341 15.542 ( -23.035 0.000 0.000) 23.035 16.289 ( 3.483 -0.000 0.000) 3.483 16.300 ( 40.520 -0.000 0.000) 40.520 17.039 ( -32.867 0.000 0.000) 32.867 18.100 ( -29.957 0.000 0.000) 29.957 20.198 ( -52.981 0.000 0.000) 52.981 20.424 ( -50.583 0.000 0.000) 50.583 22.511 ( -2.233 0.000 0.000) 2.233 23.906 ( 3.998 -0.000 0.000) 3.998 24.315 ( 0.375 -0.000 0.000) 0.375 25.926 ( 12.737 -0.000 0.000) 12.737 ======================= Grid point 94 (55/171) ======================= q-point: (-0.50 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.172 ( -30.245 8.543 0.000) 31.428 3.730 ( -11.176 11.685 0.000) 16.170 3.797 ( -13.636 2.872 0.000) 13.935 4.442 ( -7.158 2.083 0.000) 7.455 4.507 ( -4.109 -4.667 0.000) 6.218 4.559 ( 1.237 2.918 0.000) 3.169 4.786 ( -14.105 -2.841 0.000) 14.388 4.876 ( 8.287 -3.936 0.000) 9.175 5.225 ( -6.760 9.276 0.000) 11.478 5.641 ( -17.325 -1.108 0.000) 17.360 5.642 ( -11.799 -17.374 0.000) 21.001 6.724 ( -15.206 -3.799 0.000) 15.673 6.948 ( -2.030 -1.123 0.000) 2.320 7.347 ( -11.928 31.329 0.000) 33.523 7.535 ( -22.972 -4.315 0.000) 23.373 7.908 ( 2.230 -4.336 0.000) 4.876 7.998 ( -16.524 1.292 0.000) 16.574 8.371 ( -26.049 0.458 0.000) 26.053 8.487 ( -10.420 0.611 0.000) 10.438 8.617 ( -4.682 -12.419 0.000) 13.272 9.370 ( -9.890 10.777 0.000) 14.627 9.716 ( -2.846 -5.661 0.000) 6.336 10.216 ( -0.893 -8.560 0.000) 8.606 10.470 ( 5.431 -2.291 0.000) 5.895 10.655 ( -0.071 8.959 0.000) 8.960 10.736 ( 4.075 0.112 0.000) 4.076 11.600 ( 8.976 -0.487 0.000) 8.990 11.930 ( 17.243 -7.222 0.000) 18.694 12.274 ( 2.477 -5.431 0.000) 5.969 12.736 ( 6.488 5.200 0.000) 8.315 12.873 ( -18.025 2.480 0.000) 18.194 13.207 ( 6.684 -3.200 0.000) 7.410 13.396 ( 4.222 0.156 0.000) 4.225 14.043 ( -4.475 -0.089 0.000) 4.476 14.191 ( 10.592 -0.890 0.000) 10.630 15.070 ( -24.021 1.853 0.000) 24.092 15.097 ( 4.347 3.472 0.000) 5.563 16.358 ( 3.171 0.084 0.000) 3.172 16.423 ( 27.857 8.944 0.000) 29.257 16.611 ( 14.766 -16.604 0.000) 22.220 17.174 ( 49.295 1.140 0.000) 49.309 17.649 ( -17.900 -5.411 0.000) 18.700 19.072 ( -63.146 0.508 0.000) 63.148 19.403 ( -54.434 0.977 0.000) 54.443 22.485 ( -0.710 0.045 0.000) 0.712 23.966 ( 2.370 0.460 0.000) 2.414 24.304 ( 0.084 4.109 0.000) 4.109 26.123 ( 7.287 -0.908 0.000) 7.343 ======================= Grid point 95 (56/171) ======================= q-point: (-0.43 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.762 ( -0.000 15.138 0.000) 15.138 3.483 ( -0.000 24.149 0.000) 24.149 3.616 ( -0.000 2.419 0.000) 2.419 4.335 ( -0.000 2.045 0.000) 2.045 4.550 ( 0.000 -12.912 0.000) 12.912 4.561 ( -0.000 1.670 0.000) 1.670 4.610 ( -0.000 1.613 0.000) 1.613 5.015 ( -0.000 17.010 0.000) 17.010 5.043 ( 0.000 -7.430 0.000) 7.430 5.488 ( 0.000 -2.904 0.000) 2.904 5.713 ( 0.000 -25.541 0.000) 25.541 6.586 ( 0.000 -2.061 0.000) 2.061 6.923 ( -0.000 50.190 0.000) 50.190 6.940 ( 0.000 -2.418 0.000) 2.418 7.388 ( 0.000 -14.324 0.000) 14.324 7.811 ( -0.000 2.914 0.000) 2.914 8.046 ( 0.000 -7.368 0.000) 7.368 8.048 ( -0.000 0.012 0.000) 0.012 8.386 ( -0.000 0.311 0.000) 0.311 8.668 ( 0.000 -12.681 0.000) 12.681 9.186 ( -0.000 14.239 0.000) 14.239 9.728 ( 0.000 -4.637 0.000) 4.637 10.299 ( 0.000 -14.298 0.000) 14.298 10.552 ( 0.000 -5.666 0.000) 5.666 10.562 ( -0.000 16.034 0.000) 16.034 10.766 ( -0.000 1.518 0.000) 1.518 11.721 ( 0.000 -4.346 0.000) 4.346 12.176 ( 0.000 -11.093 0.000) 11.093 12.357 ( 0.000 -8.337 0.000) 8.337 12.677 ( -0.000 0.192 0.000) 0.192 12.761 ( -0.000 4.620 0.000) 4.620 13.310 ( 0.000 -3.550 0.000) 3.550 13.436 ( -0.000 0.399 0.000) 0.399 13.979 ( -0.000 0.040 0.000) 0.040 14.361 ( 0.000 -0.166 0.000) 0.166 14.735 ( -0.000 4.045 0.000) 4.045 15.096 ( -0.000 7.306 0.000) 7.306 16.377 ( 0.000 -9.838 0.000) 9.838 16.391 ( 0.000 -0.065 0.000) 0.065 17.519 ( 0.000 -8.694 0.000) 8.694 17.648 ( 0.000 -3.589 0.000) 3.589 17.923 ( -0.000 5.898 0.000) 5.898 17.959 ( 0.000 -0.186 0.000) 0.186 18.575 ( 0.000 -0.051 0.000) 0.051 22.478 ( -0.000 0.147 0.000) 0.147 23.985 ( -0.000 0.950 0.000) 0.950 24.258 ( -0.000 8.550 0.000) 8.550 26.208 ( 0.000 -2.324 0.000) 2.324 ======================= Grid point 109 (57/171) ======================= q-point: ( 0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.878 ( -0.000 0.000 0.000) 0.000 3.634 ( -0.000 0.000 0.000) 0.000 3.673 ( -0.000 0.000 0.000) 0.000 4.399 ( 0.000 -0.000 0.000) 0.000 4.401 ( -0.000 0.000 0.000) 0.000 4.567 ( -0.000 0.000 0.000) 0.000 4.622 ( -0.000 0.000 0.000) 0.000 4.989 ( -0.000 0.000 0.000) 0.000 5.242 ( -0.000 0.000 0.000) 0.000 5.419 ( 0.000 -0.000 0.000) 0.000 5.466 ( -0.000 0.000 0.000) 0.000 6.571 ( -0.000 0.000 0.000) 0.000 6.922 ( 0.000 -0.000 0.000) 0.000 7.275 ( -0.000 0.000 0.000) 0.000 7.360 ( -0.000 0.000 0.000) 0.000 7.833 ( -0.000 0.000 0.000) 0.000 7.991 ( -0.000 0.000 0.000) 0.000 8.048 ( -0.000 0.000 0.000) 0.000 8.388 ( -0.000 0.000 0.000) 0.000 8.523 ( -0.000 0.000 0.000) 0.000 9.314 ( -0.000 0.000 0.000) 0.000 9.673 ( 0.000 -0.000 0.000) 0.000 10.178 ( -0.000 0.000 0.000) 0.000 10.512 ( -0.000 0.000 0.000) 0.000 10.689 ( -0.000 0.000 0.000) 0.000 10.777 ( -0.000 0.000 0.000) 0.000 11.689 ( -0.000 0.000 0.000) 0.000 12.094 ( -0.000 0.000 0.000) 0.000 12.276 ( -0.000 0.000 0.000) 0.000 12.679 ( -0.000 0.000 0.000) 0.000 12.814 ( 0.000 -0.000 0.000) 0.000 13.278 ( -0.000 0.000 0.000) 0.000 13.440 ( -0.000 0.000 0.000) 0.000 13.979 ( -0.000 0.000 0.000) 0.000 14.359 ( -0.000 0.000 0.000) 0.000 14.766 ( -0.000 0.000 0.000) 0.000 15.153 ( -0.000 0.000 0.000) 0.000 16.298 ( -0.000 0.000 0.000) 0.000 16.390 ( -0.000 0.000 0.000) 0.000 17.455 ( -0.000 0.000 0.000) 0.000 17.623 ( -0.000 0.000 0.000) 0.000 17.958 ( -0.000 0.000 0.000) 0.000 17.967 ( -0.000 0.000 0.000) 0.000 18.575 ( -0.000 0.000 0.000) 0.000 22.479 ( -0.000 0.000 0.000) 0.000 23.991 ( -0.000 0.000 0.000) 0.000 24.321 ( -0.000 0.000 0.000) 0.000 26.190 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 203 (58/171) ======================= 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 0.000 0.000 45.688) 45.688 0.950 ( 0.000 0.000 46.565) 46.565 1.604 ( 0.000 0.000 78.844) 78.844 3.193 ( 0.000 0.000 -21.952) 21.952 3.382 ( 0.000 0.000 -28.840) 28.840 4.313 ( 0.000 0.000 2.558) 2.558 4.432 ( 0.000 0.000 1.308) 1.308 5.537 ( 0.000 0.000 -43.571) 43.571 5.631 ( 0.000 0.000 3.655) 3.655 5.840 ( 0.000 0.000 -1.485) 1.485 6.301 ( 0.000 0.000 24.766) 24.766 6.618 ( 0.000 0.000 17.119) 17.119 7.298 ( 0.000 0.000 0.175) 0.175 7.331 ( 0.000 0.000 -0.638) 0.638 7.936 ( 0.000 0.000 -11.680) 11.680 8.069 ( 0.000 0.000 2.334) 2.334 8.148 ( 0.000 0.000 -12.977) 12.977 8.184 ( 0.000 0.000 5.158) 5.158 8.266 ( 0.000 0.000 -2.163) 2.163 8.733 ( 0.000 0.000 2.217) 2.217 8.839 ( 0.000 0.000 -1.402) 1.402 9.639 ( 0.000 0.000 -5.709) 5.709 9.909 ( 0.000 0.000 8.156) 8.156 10.635 ( 0.000 0.000 -18.486) 18.486 11.159 ( 0.000 0.000 2.183) 2.183 11.242 ( 0.000 0.000 5.053) 5.053 11.765 ( 0.000 0.000 11.082) 11.082 11.932 ( 0.000 0.000 5.593) 5.593 12.684 ( 0.000 0.000 -0.357) 0.357 12.714 ( 0.000 0.000 6.386) 6.386 12.961 ( 0.000 0.000 -6.829) 6.829 13.627 ( 0.000 0.000 -22.103) 22.103 13.632 ( 0.000 0.000 7.668) 7.668 14.263 ( 0.000 0.000 -7.534) 7.534 14.404 ( 0.000 0.000 8.725) 8.725 14.779 ( 0.000 0.000 26.884) 26.884 15.193 ( 0.000 0.000 -10.590) 10.590 16.239 ( 0.000 0.000 -15.189) 15.189 17.157 ( 0.000 0.000 16.386) 16.386 18.074 ( 0.000 0.000 7.855) 7.855 18.530 ( 0.000 0.000 -19.703) 19.703 18.543 ( 0.000 0.000 -3.943) 3.943 19.342 ( 0.000 0.000 6.524) 6.524 19.435 ( 0.000 0.000 1.013) 1.013 22.601 ( 0.000 0.000 3.680) 3.680 22.893 ( 0.000 0.000 -3.039) 3.039 23.066 ( 0.000 0.000 3.195) 3.195 23.348 ( 0.000 0.000 -3.224) 3.224 ======================= Grid point 204 (59/171) ======================= q-point: ( 0.07 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 20.758 -10.993 34.308) 41.579 1.261 ( 28.437 -8.878 29.388) 41.846 2.388 ( 58.380 -17.242 52.256) 80.226 3.278 ( 7.587 -1.388 -24.862) 26.031 3.445 ( 7.290 -3.329 -26.838) 28.009 4.436 ( 4.132 4.392 3.235) 6.843 4.501 ( 10.610 -3.272 3.682) 11.698 5.606 ( 5.120 4.969 -1.292) 7.250 5.840 ( 22.180 4.069 -22.146) 31.606 6.096 ( 27.201 1.335 -3.997) 27.525 6.257 ( -0.787 3.493 21.679) 21.973 6.637 ( 7.046 -0.628 7.733) 10.480 7.270 ( -2.948 -0.713 -0.443) 3.065 7.617 ( 20.233 -2.304 -3.525) 20.667 7.868 ( -3.328 1.490 -5.542) 6.634 8.028 ( 1.891 -1.175 -6.147) 6.538 8.050 ( -9.654 7.513 23.936) 26.881 8.245 ( 2.051 -0.652 1.710) 2.749 8.425 ( 13.077 -5.852 -7.048) 15.966 8.776 ( 12.471 10.131 9.848) 18.845 8.922 ( 9.256 -0.834 -4.246) 10.217 9.651 ( -20.267 0.862 26.014) 32.989 9.765 ( 2.034 -0.701 1.036) 2.388 9.991 ( -19.913 -22.651 8.284) 31.277 10.742 ( -2.458 0.863 -4.161) 4.909 11.117 ( -4.594 -0.143 0.711) 4.651 11.258 ( -1.849 2.419 9.331) 9.815 11.713 ( -20.873 -2.528 1.300) 21.066 12.519 ( -13.662 13.748 -1.706) 19.457 12.723 ( -17.411 -11.205 -7.149) 21.905 13.345 ( 5.295 9.156 -6.890) 12.623 13.496 ( -1.720 -8.562 -6.124) 10.666 13.971 ( 13.614 0.263 -3.014) 13.946 14.304 ( -0.339 5.098 -1.080) 5.222 14.407 ( -1.530 -4.914 7.279) 8.915 14.777 ( -0.119 2.019 21.071) 21.168 15.148 ( -3.705 -0.829 -9.482) 10.214 15.955 ( -9.458 0.915 -7.710) 12.237 16.701 ( -30.928 3.303 18.180) 36.027 17.774 ( -32.355 10.798 -8.657) 35.191 18.434 ( 28.934 1.983 6.054) 29.627 19.215 ( 36.248 3.558 -16.474) 39.975 19.786 ( 43.354 12.214 11.239) 46.423 20.942 ( 79.786 73.199 -43.301) 116.614 22.307 ( 9.760 37.582 18.313) 42.931 23.050 ( 3.688 2.595 -2.740) 5.276 23.354 ( -1.313 -12.144 -2.299) 12.429 24.070 ( 12.787 -101.901 -52.249) 115.227 ======================= Grid point 205 (60/171) ======================= q-point: ( 0.14 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 30.328 -13.029 20.819) 39.025 1.969 ( 33.938 -11.918 14.392) 38.743 3.453 ( 9.273 -1.762 -26.863) 28.473 3.637 ( 30.588 -15.429 -9.732) 35.615 3.818 ( 46.253 -13.997 11.445) 49.661 4.445 ( 3.270 1.452 12.882) 13.370 4.711 ( 7.276 -1.778 6.608) 9.989 5.676 ( 8.047 9.210 6.710) 13.950 6.061 ( 1.082 7.725 -1.197) 7.891 6.239 ( 1.572 -0.969 15.587) 15.696 6.739 ( 27.913 1.996 -10.694) 29.958 7.113 ( 43.951 8.591 -10.570) 46.013 7.225 ( 2.344 4.898 2.194) 5.857 7.750 ( 0.124 -6.675 -5.908) 8.915 7.882 ( 0.511 -6.276 22.497) 23.361 8.041 ( 9.746 1.447 -1.958) 10.046 8.230 ( 16.119 -11.340 -2.546) 19.872 8.409 ( 14.643 1.147 3.431) 15.083 8.744 ( 18.704 -3.901 -9.127) 21.175 9.056 ( 14.787 -6.438 14.558) 21.727 9.250 ( 27.176 8.314 -10.916) 30.444 9.673 ( 18.695 -0.494 3.965) 19.117 9.915 ( 1.855 -2.039 0.679) 2.839 9.981 ( 7.260 -5.691 -10.428) 13.922 10.727 ( 1.786 3.216 -1.793) 4.092 11.024 ( -3.992 -1.932 -2.388) 5.037 11.207 ( 0.303 6.570 8.154) 10.475 11.363 ( -14.214 -4.868 -2.242) 15.191 12.101 ( -17.787 5.396 4.795) 19.196 12.511 ( -14.111 -8.286 -5.759) 17.348 13.280 ( -3.238 6.683 0.688) 7.458 13.490 ( -4.497 -5.016 -3.556) 7.617 14.074 ( -1.868 0.696 -0.061) 1.994 14.207 ( -4.231 6.118 -0.518) 7.457 14.375 ( -5.457 -4.623 8.077) 10.789 14.707 ( -2.502 10.443 9.088) 14.068 15.118 ( -2.900 -8.197 -5.655) 10.372 15.630 ( -27.465 1.804 -9.162) 29.009 16.306 ( -3.171 7.257 14.629) 16.635 17.175 ( -22.103 9.684 -7.500) 25.270 18.897 ( 22.623 9.735 8.424) 26.029 19.872 ( 33.175 6.141 -19.376) 38.906 20.547 ( 43.569 15.879 13.900) 48.411 21.515 ( 40.744 56.799 -19.023) 72.444 22.374 ( 10.871 4.005 14.601) 18.639 23.126 ( 5.020 0.057 -6.577) 8.274 23.450 ( 0.560 -17.635 6.026) 18.644 24.595 ( -10.079 -52.286 -31.304) 61.768 ======================= Grid point 206 (61/171) ======================= q-point: ( 0.21 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.460 ( 30.515 -10.128 13.108) 34.722 2.668 ( 28.808 -12.749 7.619) 32.411 3.613 ( 6.061 -3.302 -19.462) 20.649 3.991 ( 12.656 0.256 -17.035) 21.223 4.587 ( 14.110 -2.512 5.674) 15.414 4.777 ( 8.554 -6.039 -1.096) 10.528 5.127 ( 43.972 -26.351 20.650) 55.266 5.793 ( 11.231 11.077 10.448) 18.921 5.852 ( -12.294 5.302 8.232) 15.717 6.368 ( 9.476 -5.672 8.712) 14.067 6.883 ( -3.611 -1.487 -4.635) 6.061 7.257 ( 4.237 14.339 -1.662) 15.044 7.638 ( 11.747 17.837 0.549) 21.364 7.859 ( 4.047 -11.485 4.772) 13.079 8.280 ( 34.128 -10.400 -12.464) 37.792 8.494 ( 7.619 -18.824 -5.562) 21.056 8.608 ( 33.598 -11.106 0.575) 35.390 8.768 ( 24.947 4.697 2.848) 25.544 9.134 ( 14.642 3.979 -11.072) 18.783 9.428 ( 20.961 -3.813 13.009) 24.963 9.688 ( 20.946 8.972 -2.330) 22.906 9.987 ( 14.967 6.432 -9.072) 18.646 10.135 ( 8.884 -3.203 -2.121) 9.679 10.246 ( 29.401 5.332 -14.790) 33.341 10.795 ( 8.658 4.397 2.694) 10.077 11.067 ( 6.244 -0.663 5.999) 8.685 11.201 ( 7.468 -1.258 13.821) 15.760 11.336 ( 8.642 -1.037 -11.277) 14.246 11.898 ( 0.431 -5.322 9.671) 11.047 12.310 ( -11.786 -6.728 -5.000) 14.463 13.130 ( -7.382 5.983 4.287) 10.424 13.399 ( -7.597 -0.684 -0.635) 7.654 13.935 ( -9.855 2.758 -1.316) 10.318 14.071 ( -7.061 2.700 -3.811) 8.466 14.280 ( -6.513 -2.860 5.618) 9.064 14.572 ( -1.734 12.872 2.228) 13.178 14.996 ( -25.030 1.258 -0.405) 25.065 15.163 ( -8.022 -7.676 -2.567) 11.396 16.303 ( 5.509 8.547 5.231) 11.436 16.783 ( -12.583 7.105 -5.301) 15.392 19.161 ( 14.372 13.430 10.485) 22.290 20.299 ( 18.348 13.613 -20.729) 30.849 21.166 ( 31.170 12.085 13.081) 35.899 21.841 ( 29.997 35.867 -8.730) 47.565 22.592 ( 11.797 -1.516 8.355) 14.535 23.222 ( 3.233 -3.792 -9.920) 11.101 23.640 ( 4.824 -18.017 12.083) 22.223 24.635 ( -16.332 -33.970 -15.166) 40.629 ======================= Grid point 207 (62/171) ======================= q-point: ( 0.29 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.037 ( 22.311 -6.657 8.400) 24.752 3.240 ( 20.994 -12.516 2.329) 24.553 3.786 ( 9.163 -7.670 -8.635) 14.743 4.199 ( 12.900 8.515 -9.628) 18.211 4.712 ( 2.376 2.694 0.908) 3.705 5.038 ( 8.620 -4.673 -8.706) 13.112 5.572 ( -7.175 -1.094 11.692) 13.761 5.930 ( 16.860 -11.141 11.468) 23.235 6.041 ( 13.004 -8.937 8.541) 17.942 6.641 ( 11.604 -0.378 -3.623) 12.163 6.866 ( 3.214 -7.340 6.551) 10.350 7.291 ( 11.373 2.703 2.215) 11.898 7.684 ( 5.963 7.752 2.573) 10.113 8.021 ( 5.481 -11.560 10.548) 16.581 8.496 ( -8.578 -17.745 -11.045) 22.593 9.080 ( 25.729 0.612 -7.898) 26.921 9.205 ( 11.539 2.501 -9.825) 15.360 9.260 ( 30.803 7.908 0.330) 31.803 9.368 ( 27.027 -3.814 -4.752) 27.705 9.721 ( 9.208 7.980 6.663) 13.888 9.917 ( 8.866 0.306 0.199) 8.873 10.212 ( 5.930 0.933 -9.145) 10.939 10.259 ( 6.928 2.604 -4.267) 8.543 10.696 ( 11.234 11.621 -14.265) 21.558 11.000 ( 21.521 7.101 7.851) 23.984 11.319 ( 22.134 -5.031 8.830) 24.356 11.511 ( 22.217 7.327 5.399) 24.009 11.806 ( 32.104 -13.320 -3.188) 34.904 12.194 ( 1.314 -5.658 2.018) 6.149 12.243 ( 23.701 -3.593 3.822) 24.274 12.945 ( -7.120 3.628 6.503) 10.303 13.226 ( -8.106 0.112 0.940) 8.161 13.708 ( -9.560 4.516 -4.076) 11.331 13.860 ( -14.510 -0.463 -5.249) 15.437 14.212 ( -1.523 -0.723 -2.147) 2.730 14.368 ( -14.775 7.908 1.653) 16.839 14.630 ( -3.179 6.247 8.312) 10.873 15.103 ( -5.977 -5.810 -5.440) 9.954 16.339 ( 4.359 8.524 2.323) 9.852 16.583 ( -4.798 2.634 -3.077) 6.279 19.274 ( 8.148 12.899 11.243) 18.953 20.417 ( 7.580 17.330 -18.366) 26.365 21.555 ( 16.476 5.434 10.975) 20.529 22.120 ( 19.586 19.602 -5.901) 28.331 22.833 ( 12.869 0.679 4.423) 13.625 23.308 ( 2.659 -4.999 -8.767) 10.436 23.844 ( 2.709 -14.430 10.843) 18.252 24.522 ( -17.435 -25.271 -7.173) 31.528 ======================= Grid point 208 (63/171) ======================= q-point: ( 0.36 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.419 ( 13.334 -6.973 5.711) 16.095 3.655 ( 13.370 -11.104 -2.303) 17.532 4.055 ( 11.040 -7.344 -8.248) 15.616 4.367 ( 12.464 10.335 -4.825) 16.895 4.734 ( 2.013 1.272 -2.283) 3.299 5.053 ( -4.117 1.740 -2.966) 5.364 5.592 ( 3.701 -3.083 6.327) 7.951 6.093 ( 2.715 9.913 14.580) 17.839 6.314 ( 5.064 -19.911 0.468) 20.551 6.732 ( 2.334 -0.014 -5.968) 6.408 7.089 ( 11.906 -2.547 3.106) 12.565 7.641 ( 10.781 -3.937 3.774) 12.082 7.785 ( 11.195 -8.227 2.343) 14.089 8.280 ( 10.761 -12.981 18.469) 25.008 8.407 ( -10.384 -11.002 -2.646) 15.358 9.210 ( 5.544 3.997 -7.989) 10.514 9.491 ( 12.721 1.519 -4.817) 13.687 9.711 ( 3.461 6.581 4.808) 8.855 9.804 ( 28.947 8.688 -1.148) 30.245 9.937 ( 17.483 -3.871 -4.698) 18.512 10.112 ( 14.260 -2.540 -12.486) 19.123 10.198 ( 0.513 8.139 1.906) 8.375 10.394 ( 6.855 -0.586 -8.766) 11.143 10.622 ( -5.400 7.415 -7.537) 11.872 11.259 ( 10.926 13.679 -1.571) 17.577 11.685 ( -1.162 3.368 -5.787) 6.796 11.954 ( 28.288 -5.679 8.127) 29.975 12.181 ( 6.802 1.551 19.050) 20.287 12.610 ( 30.256 -2.489 -1.294) 30.386 12.731 ( -14.034 0.982 7.159) 15.785 12.829 ( 29.678 -4.149 2.802) 30.097 13.247 ( 1.322 -7.491 1.065) 7.681 13.543 ( -14.993 -0.027 -11.839) 19.103 13.642 ( 11.521 1.689 -3.300) 12.102 14.063 ( -9.307 4.360 10.033) 14.363 14.228 ( 2.013 0.450 -6.629) 6.943 14.635 ( 5.540 6.814 4.873) 10.043 15.033 ( -3.054 -1.453 -6.465) 7.296 16.351 ( 2.430 4.246 1.956) 5.269 16.538 ( 0.698 1.766 -2.280) 2.967 19.303 ( 4.071 9.978 11.260) 15.585 20.388 ( 2.573 14.351 -15.904) 21.576 21.741 ( 6.525 1.622 9.629) 11.744 22.286 ( 9.029 9.417 -5.507) 14.161 23.059 ( 11.403 2.115 2.390) 11.841 23.397 ( 3.289 -3.176 -6.740) 8.144 23.932 ( -2.982 -10.546 8.101) 13.628 24.363 ( -15.397 -18.557 -3.419) 24.354 ======================= Grid point 209 (64/171) ======================= q-point: ( 0.43 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.664 ( 7.413 -4.849 5.318) 10.332 3.916 ( 6.666 -7.396 -6.368) 11.819 4.255 ( 5.873 -2.498 -10.322) 12.136 4.543 ( 10.586 3.340 -4.493) 11.975 4.767 ( 1.094 -1.802 -3.600) 4.171 4.949 ( -4.270 4.192 -3.376) 6.871 5.674 ( 2.923 -2.110 8.240) 8.994 6.007 ( -2.545 8.541 13.735) 16.373 6.522 ( 4.431 -11.084 -1.186) 11.996 6.767 ( 0.481 -0.243 -3.773) 3.811 7.326 ( 12.116 1.406 1.967) 12.355 7.673 ( -1.901 -0.595 -4.066) 4.528 8.068 ( 3.255 -6.240 14.237) 15.882 8.282 ( -8.210 -1.562 7.369) 11.142 8.613 ( 14.712 -16.479 10.738) 24.562 9.391 ( 10.011 -5.193 -6.200) 12.869 9.632 ( -1.761 -6.007 1.898) 6.542 9.702 ( 4.796 3.386 -0.080) 5.871 10.041 ( 0.489 13.192 -5.060) 14.137 10.164 ( 9.574 -0.395 -5.747) 11.173 10.273 ( 4.222 1.183 -3.244) 5.455 10.415 ( 16.123 6.149 -9.559) 19.727 10.497 ( 5.954 9.487 -4.639) 12.124 10.628 ( 13.731 -3.944 0.684) 14.302 11.253 ( -0.389 10.516 -15.793) 18.978 11.456 ( -16.151 -0.289 -8.011) 18.031 12.243 ( 1.150 1.622 17.242) 17.357 12.406 ( 0.308 -1.208 12.971) 13.031 12.425 ( 1.389 2.042 7.842) 8.222 12.954 ( -7.139 -2.088 7.474) 10.544 13.161 ( 12.523 -3.521 -4.967) 13.925 13.361 ( -2.612 0.660 -13.106) 13.380 13.488 ( 18.971 -4.480 8.233) 21.160 13.914 ( -2.252 1.306 9.185) 9.547 14.071 ( 17.797 -5.037 -3.847) 18.892 14.277 ( 4.840 4.349 -8.202) 10.469 14.678 ( 2.488 4.367 3.621) 6.195 15.041 ( 2.975 0.070 -7.265) 7.851 16.388 ( 3.055 0.279 1.816) 3.565 16.545 ( 1.015 2.292 -1.873) 3.129 19.298 ( 1.622 5.471 11.097) 12.478 20.332 ( 0.605 7.908 -14.404) 16.443 21.809 ( 1.865 0.282 8.863) 9.062 22.345 ( 2.573 3.404 -5.421) 6.898 23.225 ( 7.294 2.162 1.236) 7.707 23.470 ( 2.406 -0.997 -5.547) 6.128 23.908 ( -4.975 -6.318 6.765) 10.509 24.225 ( -9.612 -10.485 -1.988) 14.362 ======================= Grid point 210 (65/171) ======================= q-point: (-0.50 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.756 ( 0.000 -0.000 5.884) 5.884 4.008 ( 0.000 -0.000 -8.676) 8.676 4.322 ( 0.000 0.000 -8.701) 8.701 4.655 ( 0.000 -0.000 -8.754) 8.754 4.810 ( -0.000 0.000 -0.677) 0.677 4.848 ( 0.000 -0.000 -7.264) 7.264 5.723 ( 0.000 -0.000 10.264) 10.264 5.933 ( 0.000 -0.000 14.921) 14.921 6.623 ( -0.000 -0.000 -3.266) 3.266 6.754 ( 0.000 -0.000 -3.510) 3.510 7.471 ( 0.000 -0.000 3.492) 3.492 7.642 ( 0.000 -0.000 -5.562) 5.562 8.115 ( -0.000 0.000 14.314) 14.314 8.156 ( 0.000 -0.000 15.047) 15.047 8.901 ( 0.000 -0.000 4.086) 4.086 9.431 ( 0.000 -0.000 -1.050) 1.050 9.702 ( 0.000 -0.000 2.082) 2.082 9.818 ( 0.000 -0.000 -3.671) 3.671 9.879 ( -0.000 0.000 -3.359) 3.359 10.221 ( 0.000 0.000 -5.657) 5.657 10.340 ( 0.000 -0.000 -4.140) 4.140 10.489 ( 0.000 0.000 1.352) 1.352 10.606 ( 0.000 0.000 -10.031) 10.031 10.901 ( 0.000 0.000 2.824) 2.824 11.081 ( 0.000 -0.000 -16.613) 16.613 11.314 ( 0.000 -0.000 -17.128) 17.128 12.223 ( 0.000 -0.000 9.508) 9.508 12.247 ( -0.000 0.000 13.074) 13.074 12.591 ( 0.000 -0.000 12.143) 12.143 12.840 ( -0.000 -0.000 12.844) 12.844 13.275 ( 0.000 -0.000 -12.720) 12.720 13.383 ( 0.000 -0.000 -4.939) 4.939 13.705 ( 0.000 -0.000 9.135) 9.135 13.879 ( 0.000 -0.000 9.793) 9.793 14.250 ( 0.000 0.000 -9.980) 9.980 14.347 ( 0.000 -0.000 -4.072) 4.072 14.679 ( 0.000 -0.000 3.599) 3.599 15.083 ( 0.000 -0.000 -7.845) 7.845 16.430 ( 0.000 0.000 1.327) 1.327 16.540 ( 0.000 -0.000 -1.353) 1.353 19.292 ( 0.000 -0.000 11.022) 11.022 20.307 ( 0.000 -0.000 -13.903) 13.903 21.824 ( 0.000 -0.000 8.593) 8.593 22.354 ( 0.000 -0.000 -5.364) 5.364 23.291 ( 0.000 -0.000 0.723) 0.723 23.497 ( 0.000 -0.000 -5.223) 5.223 23.876 ( 0.000 -0.000 6.613) 6.613 24.168 ( -0.000 -0.000 -1.675) 1.675 ======================= Grid point 219 (66/171) ======================= q-point: ( 0.07 0.07 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 33.498 -0.000 24.090) 41.261 1.879 ( 35.496 -0.000 15.395) 38.690 3.448 ( 9.353 -0.000 -28.736) 30.220 3.495 ( 46.672 -0.000 8.278) 47.400 3.726 ( 34.616 -0.000 -1.818) 34.664 4.462 ( 0.049 -0.000 13.922) 13.922 4.695 ( 7.967 -0.000 6.146) 10.062 5.746 ( 8.764 -0.000 3.719) 9.520 6.130 ( -0.337 0.000 -5.279) 5.290 6.226 ( -1.206 0.000 18.952) 18.990 6.754 ( 28.445 -0.000 -13.407) 31.446 7.182 ( 46.078 -0.000 -13.219) 47.937 7.267 ( 9.883 -0.000 6.201) 11.667 7.690 ( 1.768 -0.000 -15.260) 15.362 7.811 ( -4.766 0.000 25.992) 26.425 8.083 ( -2.213 0.000 4.338) 4.870 8.138 ( 13.870 -0.000 -1.448) 13.946 8.420 ( 16.175 -0.000 3.852) 16.627 8.700 ( 23.507 -0.000 -8.499) 24.996 8.984 ( 11.917 -0.000 17.395) 21.086 9.344 ( 28.550 -0.000 -14.385) 31.969 9.652 ( 25.239 -0.000 0.786) 25.252 9.899 ( 2.335 -0.000 4.688) 5.237 9.949 ( 10.837 -0.000 -8.583) 13.824 10.753 ( 2.277 -0.000 -2.830) 3.633 11.000 ( -6.168 0.000 -2.090) 6.513 11.272 ( 3.044 -0.000 5.895) 6.635 11.322 ( -15.681 0.000 1.118) 15.721 12.169 ( -23.439 0.000 0.613) 23.447 12.420 ( -11.488 0.000 -2.255) 11.707 13.387 ( -5.546 0.000 -3.555) 6.587 13.391 ( -1.872 0.000 -0.158) 1.879 14.078 ( -1.791 0.000 0.536) 1.870 14.271 ( -5.915 0.000 0.492) 5.936 14.323 ( -4.073 0.000 7.865) 8.857 14.799 ( 0.611 -0.000 12.551) 12.566 15.041 ( -5.654 0.000 -9.323) 10.904 15.644 ( -27.172 0.000 -9.606) 28.820 16.361 ( -3.542 0.000 14.873) 15.289 17.250 ( -24.274 0.000 -7.604) 25.437 18.967 ( 23.247 -0.000 7.633) 24.468 19.916 ( 33.501 -0.000 -20.284) 39.163 20.682 ( 41.953 -0.000 17.632) 45.508 21.901 ( 23.875 -0.000 -16.411) 28.971 22.650 ( 3.929 -0.000 5.344) 6.633 23.190 ( 7.455 -0.000 3.787) 8.361 23.244 ( -2.921 0.000 -6.810) 7.410 24.011 ( 10.269 -0.000 -32.011) 33.618 ======================= Grid point 220 (67/171) ======================= q-point: ( 0.14 0.07 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( 35.733 -2.403 15.982) 39.218 2.539 ( 30.653 -4.626 8.454) 32.132 3.583 ( 4.348 -0.908 -19.780) 20.272 3.993 ( 21.109 -0.049 -20.773) 29.616 4.553 ( 12.530 -1.085 11.485) 17.032 4.684 ( 23.120 -5.951 2.053) 23.962 4.888 ( 28.102 -6.247 19.705) 34.886 5.909 ( -17.883 2.127 6.738) 19.228 5.933 ( 12.412 6.365 2.607) 14.191 6.286 ( 7.581 -4.212 14.763) 17.122 6.870 ( -4.392 -0.400 -7.536) 8.732 7.416 ( -2.184 6.093 2.416) 6.909 7.703 ( 0.454 -3.683 -10.374) 11.017 7.918 ( 9.715 13.976 0.881) 17.044 8.112 ( 19.642 -11.927 -14.292) 27.061 8.312 ( 33.271 -4.697 8.820) 34.739 8.452 ( 33.755 -8.367 2.745) 34.885 8.825 ( 25.984 2.200 1.724) 26.133 9.164 ( 14.688 0.467 -5.897) 15.834 9.366 ( 28.885 -2.464 8.524) 30.217 9.827 ( 21.696 6.223 -1.795) 22.642 10.050 ( 12.644 2.650 -11.710) 17.436 10.089 ( 5.438 -2.163 -3.240) 6.689 10.314 ( 38.381 2.476 -14.160) 40.984 10.835 ( 6.778 1.269 1.711) 7.105 11.048 ( 12.282 -1.736 7.146) 14.316 11.137 ( -1.139 -2.271 1.305) 2.856 11.423 ( 14.943 5.739 1.675) 16.095 11.833 ( -7.749 -2.855 7.309) 11.028 12.216 ( -10.876 -4.473 -2.890) 12.110 13.216 ( -8.486 5.165 2.186) 10.172 13.352 ( -6.396 -4.280 0.627) 7.722 13.957 ( -9.320 0.620 -0.022) 9.341 14.106 ( -10.056 1.597 -2.630) 10.516 14.245 ( -4.596 -1.474 5.331) 7.192 14.753 ( -1.567 10.254 3.849) 11.064 14.948 ( -12.331 -6.730 -5.694) 15.158 15.104 ( -20.274 -0.759 0.646) 20.299 16.394 ( 5.014 3.318 4.763) 7.671 16.859 ( -15.670 2.835 -5.218) 16.758 19.294 ( 12.958 4.586 9.705) 16.826 20.419 ( 19.317 3.679 -22.588) 29.949 21.319 ( 26.969 6.724 18.000) 33.114 22.275 ( 20.350 12.991 -12.027) 26.973 22.689 ( 11.290 17.455 7.771) 22.193 23.188 ( -0.729 -1.676 -5.944) 6.219 23.416 ( 8.829 -10.744 5.889) 15.102 24.146 ( -7.480 -25.820 -14.740) 30.658 ======================= Grid point 221 (68/171) ======================= q-point: ( 0.21 0.07 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.991 ( 25.203 -0.541 9.055) 26.786 3.098 ( 23.078 -6.713 2.937) 24.213 3.709 ( 10.354 -2.993 -6.647) 12.663 4.341 ( 18.401 9.640 -12.106) 24.043 4.748 ( 2.444 2.350 -1.102) 3.565 4.933 ( 13.990 -8.662 -5.523) 17.356 5.534 ( -10.066 -3.714 11.059) 15.408 5.613 ( 14.007 -17.826 10.405) 24.944 6.129 ( 13.234 8.527 5.660) 16.730 6.589 ( 17.598 -5.591 7.457) 19.914 6.796 ( -1.949 -2.303 0.236) 3.026 7.336 ( 1.325 2.038 1.147) 2.688 7.701 ( -2.245 -3.371 -7.258) 8.312 7.978 ( 7.501 4.384 16.757) 18.875 8.252 ( -4.402 -14.192 -8.512) 17.124 9.077 ( 32.899 -0.060 -1.765) 32.947 9.203 ( 24.285 -2.414 -10.955) 26.751 9.351 ( 29.934 3.898 -0.442) 30.190 9.363 ( 17.832 2.391 -9.413) 20.305 9.764 ( 10.383 -0.355 10.939) 15.087 10.021 ( 4.601 10.021 -1.634) 11.147 10.216 ( 5.559 -0.042 -14.966) 15.965 10.287 ( 11.447 1.309 2.410) 11.771 10.847 ( 4.824 7.027 -8.180) 11.814 11.096 ( 33.867 6.201 -2.677) 34.534 11.220 ( 17.165 -6.672 12.012) 21.987 11.611 ( 21.437 -5.525 -11.009) 24.724 11.708 ( 32.912 11.253 10.250) 36.261 12.117 ( 1.765 -4.438 1.191) 4.923 12.136 ( 27.119 -10.898 4.851) 29.626 13.005 ( -9.239 4.358 6.768) 12.254 13.195 ( -12.005 -3.808 2.813) 12.904 13.751 ( -10.036 1.760 -1.188) 10.259 13.859 ( -15.330 0.092 -8.056) 17.318 14.198 ( -0.608 -0.828 -1.280) 1.641 14.466 ( -20.721 4.604 3.524) 21.517 14.730 ( 0.136 6.755 5.423) 8.663 15.017 ( -2.419 -5.572 -4.553) 7.591 16.453 ( 3.843 6.359 0.799) 7.473 16.609 ( -8.317 0.866 -2.524) 8.735 19.422 ( 5.549 6.954 10.988) 14.138 20.605 ( 5.684 8.235 -21.231) 23.471 21.644 ( 12.991 5.701 15.285) 20.854 22.459 ( 13.121 23.105 -10.519) 28.577 22.866 ( 14.567 5.476 5.847) 16.625 23.235 ( 2.849 -5.663 -4.785) 7.942 23.649 ( 5.842 -10.980 6.329) 13.955 24.128 ( -13.250 -26.039 -5.761) 29.779 ======================= Grid point 222 (69/171) ======================= q-point: ( 0.29 0.07 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.347 ( 13.310 -3.373 2.948) 14.044 3.520 ( 15.896 -7.165 -2.756) 17.652 4.019 ( 18.121 2.220 -3.279) 18.548 4.544 ( 11.444 12.901 -2.530) 17.430 4.759 ( 1.562 2.302 -7.830) 8.310 5.063 ( -3.243 -0.007 -1.485) 3.567 5.487 ( 2.990 -10.693 6.285) 12.759 5.961 ( 3.413 -24.048 2.042) 24.375 6.257 ( 7.131 10.569 9.811) 16.088 6.729 ( 0.721 -0.322 -6.133) 6.183 7.016 ( 13.322 -6.733 6.262) 16.187 7.559 ( 18.284 -5.826 4.877) 19.800 7.692 ( -0.449 -5.637 -4.824) 7.433 8.143 ( 7.474 -5.197 24.703) 26.327 8.240 ( -4.737 -10.554 -3.005) 11.953 9.263 ( -2.341 3.314 -6.267) 7.466 9.517 ( 14.066 0.993 -3.908) 14.632 9.846 ( 14.747 9.628 1.711) 17.694 9.883 ( 14.469 -2.232 -5.439) 15.618 9.932 ( 25.963 7.230 -2.162) 27.038 10.096 ( 14.089 1.225 -11.050) 17.947 10.306 ( 1.128 6.275 0.545) 6.399 10.347 ( 4.838 -3.271 -8.263) 10.118 10.751 ( -5.767 6.365 -5.751) 10.337 11.446 ( 12.939 10.623 3.765) 17.159 11.772 ( -1.509 7.583 -4.758) 9.078 11.871 ( 32.859 -3.544 3.679) 33.253 12.236 ( 12.670 6.910 17.947) 23.030 12.480 ( 31.160 -13.983 -9.169) 35.363 12.712 ( 0.268 -3.913 6.457) 7.555 12.829 ( 10.914 2.531 7.295) 13.370 13.107 ( 0.143 -10.112 6.285) 11.907 13.543 ( -15.595 -0.013 -14.484) 21.283 13.657 ( 6.298 0.363 -2.205) 6.683 14.117 ( -11.877 2.833 10.861) 16.341 14.233 ( 3.813 0.197 -6.919) 7.902 14.733 ( 3.747 5.930 3.949) 8.049 15.020 ( 0.804 -0.434 -5.890) 5.960 16.408 ( -2.271 3.215 1.165) 4.105 16.565 ( 2.323 2.036 -2.351) 3.882 19.428 ( 0.889 6.813 11.369) 13.284 20.566 ( -1.733 9.458 -18.035) 20.438 21.778 ( 5.154 2.940 12.196) 13.563 22.476 ( 4.374 15.553 -8.124) 18.084 23.103 ( 12.822 4.026 2.870) 13.743 23.358 ( 6.070 -2.079 -3.769) 7.442 23.773 ( -1.100 -10.609 5.181) 11.857 24.058 ( -11.610 -22.135 -2.084) 25.082 ======================= Grid point 223 (70/171) ======================= q-point: ( 0.36 0.07 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.613 ( 11.758 -2.857 0.436) 12.108 3.819 ( 10.506 -5.771 -6.760) 13.761 4.268 ( 10.401 5.671 -6.747) 13.633 4.629 ( 6.341 6.558 3.113) 9.639 4.761 ( -0.386 1.919 -9.471) 9.671 4.998 ( -1.884 2.643 -0.733) 3.327 5.604 ( 1.337 -7.507 5.463) 9.380 6.081 ( -3.601 -5.853 2.854) 7.441 6.329 ( 4.487 -6.266 8.357) 11.368 6.761 ( 2.113 -0.349 -3.807) 4.368 7.284 ( 9.012 -6.977 -0.146) 11.398 7.643 ( -2.974 -3.027 -4.758) 6.376 7.990 ( 9.020 -4.036 14.156) 17.264 8.235 ( 1.434 -5.365 6.246) 8.357 8.379 ( 11.191 -13.545 16.000) 23.764 9.228 ( -0.924 -11.362 -3.244) 11.852 9.642 ( 0.704 3.512 -1.666) 3.950 9.868 ( 3.428 15.918 0.991) 16.313 10.084 ( 7.156 -3.406 -5.305) 9.537 10.213 ( 2.777 6.476 -2.438) 7.456 10.336 ( 5.617 4.771 -5.915) 9.450 10.435 ( 13.205 -0.668 -21.197) 24.982 10.588 ( 15.379 1.912 1.588) 15.578 10.687 ( 12.509 7.510 -2.469) 14.798 11.454 ( -1.911 15.588 -9.073) 18.137 11.512 ( -15.951 8.558 -4.677) 18.696 12.264 ( -1.630 1.345 19.043) 19.160 12.378 ( 9.349 -1.937 9.347) 13.361 12.440 ( -7.567 0.232 7.448) 10.620 12.909 ( -9.300 -4.149 9.019) 13.603 13.070 ( 16.992 -10.547 -8.534) 21.744 13.348 ( -5.182 -1.784 -14.890) 15.867 13.409 ( 19.700 -4.246 10.673) 22.804 13.920 ( 3.267 -1.596 2.483) 4.403 13.999 ( 7.298 -3.375 3.186) 8.649 14.331 ( 6.845 2.831 -8.173) 11.030 14.742 ( 0.487 3.958 3.852) 5.544 15.072 ( 5.424 3.593 -6.815) 9.421 16.386 ( 0.945 -0.457 2.065) 2.316 16.588 ( 1.289 3.309 -2.614) 4.409 19.372 ( -2.107 4.440 11.246) 12.273 20.437 ( -4.959 6.182 -15.379) 17.301 21.823 ( 1.754 1.490 9.964) 10.226 22.428 ( 0.123 7.642 -6.545) 10.063 23.273 ( 7.556 4.405 1.213) 8.830 23.465 ( 4.013 0.698 -3.961) 5.682 23.797 ( -2.371 -8.747 5.354) 10.526 24.039 ( -3.734 -14.523 -1.238) 15.046 ======================= Grid point 224 (71/171) ======================= q-point: ( 0.43 0.07 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.793 ( 6.378 4.348 2.504) 8.115 4.002 ( 5.655 -0.969 -8.352) 10.133 4.349 ( 2.002 4.331 -7.949) 9.272 4.698 ( -0.361 5.584 -6.740) 8.760 4.729 ( 1.539 -5.948 -1.507) 6.326 4.928 ( -2.473 5.921 -4.609) 7.900 5.670 ( 0.321 -6.764 9.233) 11.450 5.976 ( -5.725 4.399 11.831) 13.860 6.481 ( 1.308 -15.966 -0.036) 16.019 6.783 ( 0.473 2.490 -3.616) 4.416 7.393 ( -6.279 -10.192 3.238) 12.401 7.629 ( 0.883 -1.690 -7.045) 7.298 8.105 ( 6.902 -0.268 14.884) 16.408 8.193 ( -2.836 3.281 14.563) 15.195 8.802 ( 14.172 -11.237 4.342) 18.600 9.391 ( 0.656 -17.645 -5.637) 18.535 9.564 ( -1.571 -0.934 3.574) 4.014 9.755 ( -4.868 7.236 2.093) 8.968 10.193 ( 2.284 11.875 -9.785) 15.555 10.205 ( -1.594 1.550 -3.844) 4.441 10.281 ( -0.311 0.336 -1.393) 1.466 10.556 ( -2.225 0.644 -11.581) 11.810 10.687 ( -3.462 13.806 1.464) 14.309 10.947 ( 3.329 6.465 0.209) 7.275 11.141 ( -1.759 7.012 -10.123) 12.440 11.338 ( -0.987 3.987 -18.562) 19.011 12.204 ( -1.911 -2.602 10.595) 11.076 12.243 ( -1.730 -0.538 11.957) 12.094 12.565 ( -2.517 -3.023 10.403) 11.122 12.856 ( 4.966 1.791 13.421) 14.422 13.251 ( 0.034 -4.008 -12.699) 13.317 13.338 ( -3.194 -6.462 -6.970) 10.026 13.658 ( 1.949 -3.762 10.593) 11.409 13.894 ( -0.775 1.249 9.352) 9.467 14.179 ( 1.945 -7.344 -7.498) 10.674 14.377 ( -2.746 2.214 -6.453) 7.354 14.697 ( -2.785 2.131 4.318) 5.563 15.124 ( 2.065 4.981 -7.629) 9.342 16.419 ( 0.381 -1.351 1.556) 2.095 16.556 ( -2.036 1.989 -1.729) 3.330 19.293 ( -4.126 0.136 10.999) 11.749 20.306 ( -6.076 -0.144 -13.868) 15.141 21.833 ( 0.384 1.166 8.714) 8.800 22.380 ( -0.966 3.337 -5.652) 6.634 23.305 ( -1.724 1.853 0.665) 2.617 23.500 ( 0.532 0.482 -5.018) 5.069 23.856 ( 4.451 -2.614 6.525) 8.320 24.140 ( 7.064 -3.674 -1.570) 8.116 ======================= Grid point 225 (72/171) ======================= q-point: (-0.50 0.07 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.777 ( -2.029 10.761 4.958) 12.021 4.030 ( -0.954 7.571 -6.700) 10.155 4.294 ( -3.900 2.398 -6.951) 8.324 4.554 ( -9.833 4.156 -9.435) 14.247 4.814 ( -2.262 4.500 0.008) 5.037 4.877 ( 4.403 -5.035 -6.315) 9.199 5.675 ( -4.486 -1.971 9.768) 10.928 5.892 ( -1.570 -6.278 16.567) 17.787 6.558 ( -3.485 -7.745 -3.433) 9.160 6.770 ( 0.151 1.052 -4.019) 4.157 7.246 ( -13.840 -9.248 5.724) 17.602 7.665 ( 1.287 -1.291 -7.085) 7.315 8.151 ( -0.440 4.245 14.438) 15.055 8.301 ( 12.926 1.559 8.186) 15.380 8.812 ( -12.589 9.367 4.999) 16.469 9.384 ( -7.075 -2.383 -7.523) 10.598 9.626 ( 2.014 -0.088 4.997) 5.389 9.788 ( 4.441 -18.874 0.353) 19.393 9.969 ( -10.360 27.479 -2.681) 29.489 10.092 ( -14.674 -7.120 -4.429) 16.901 10.244 ( -7.348 -9.161 -5.020) 12.772 10.380 ( -12.975 8.400 -2.459) 15.651 10.414 ( -11.336 -3.451 -6.507) 13.518 10.745 ( -4.433 10.682 4.996) 12.598 11.166 ( -4.653 -1.160 -23.641) 24.123 11.493 ( 17.163 3.787 -9.722) 20.085 12.216 ( -1.902 -2.041 15.113) 15.368 12.373 ( 0.107 -4.858 7.234) 8.714 12.410 ( -2.245 -0.850 13.479) 13.691 12.978 ( -0.001 1.138 6.222) 6.325 13.196 ( -4.887 0.926 -3.401) 6.026 13.291 ( -4.800 -9.634 -9.081) 14.083 13.531 ( -12.675 2.467 5.469) 14.023 13.899 ( 1.382 -0.668 9.039) 9.169 14.105 ( -22.615 -2.075 -2.703) 22.870 14.229 ( -1.099 -0.721 -9.257) 9.350 14.626 ( -4.618 -2.517 4.382) 6.846 15.075 ( -1.983 4.553 -7.626) 9.100 16.381 ( -4.445 -0.453 1.713) 4.785 16.519 ( -1.427 -1.393 -1.536) 2.517 19.217 ( -5.825 -5.343 10.887) 13.454 20.214 ( -6.640 -7.880 -13.391) 16.897 21.816 ( -1.544 1.217 8.103) 8.338 22.328 ( -3.504 0.888 -5.194) 6.328 23.206 ( -7.521 -0.577 1.417) 7.675 23.488 ( -1.025 1.334 -6.521) 6.735 23.981 ( 7.943 3.581 7.694) 11.624 24.344 ( 14.531 5.814 -2.419) 15.837 ======================= Grid point 226 (73/171) ======================= q-point: (-0.43 0.07 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.571 ( -9.644 14.140 5.443) 17.961 3.842 ( -9.731 14.272 -2.201) 17.413 4.201 ( -3.336 6.491 -8.575) 11.260 4.270 ( -15.512 2.205 -7.354) 17.308 4.726 ( -3.725 0.423 0.461) 3.777 5.006 ( 4.169 -4.573 -3.832) 7.278 5.582 ( -5.982 -3.609 8.914) 11.325 5.948 ( -1.524 -9.940 17.589) 20.261 6.499 ( -2.832 3.631 -5.231) 6.969 6.721 ( -6.470 -2.037 -5.299) 8.607 7.079 ( -7.981 -3.793 6.067) 10.719 7.659 ( -5.352 0.049 -0.602) 5.386 7.963 ( -14.454 14.124 9.367) 22.274 8.460 ( -8.620 8.776 6.466) 13.898 8.544 ( 10.149 7.851 1.881) 12.968 9.154 ( -12.705 -1.718 -8.633) 15.456 9.537 ( -14.831 8.406 -1.446) 17.109 9.635 ( -21.676 -6.816 -2.060) 22.816 9.715 ( -8.906 0.055 5.152) 10.289 9.972 ( -13.035 -3.086 -2.953) 13.717 10.037 ( -5.823 -8.556 -2.617) 10.675 10.195 ( -9.062 5.060 -7.072) 12.559 10.291 ( -1.598 -8.705 -8.999) 12.622 10.666 ( 2.569 10.819 -4.022) 11.825 11.068 ( -11.065 -11.280 -7.122) 17.332 11.686 ( 0.037 3.439 -7.667) 8.403 12.001 ( -25.771 0.058 8.464) 27.125 12.161 ( -3.140 -1.820 17.120) 17.500 12.592 ( -27.680 -2.885 5.855) 28.439 12.706 ( 13.044 -2.386 7.684) 15.326 12.898 ( -31.663 2.499 1.335) 31.790 13.297 ( -2.154 -0.574 -6.589) 6.955 13.543 ( 4.275 -0.384 -6.804) 8.045 13.617 ( -8.035 -1.001 -5.600) 9.845 14.000 ( 6.180 -3.790 10.248) 12.553 14.223 ( 0.013 -0.140 -5.661) 5.663 14.550 ( -5.194 -4.433 6.079) 9.143 15.063 ( 4.492 2.618 -7.167) 8.855 16.296 ( -5.401 -2.950 2.642) 6.697 16.510 ( -0.780 -2.113 -2.305) 3.222 19.145 ( -8.208 -11.126 11.018) 17.679 20.161 ( -8.280 -15.884 -13.687) 22.544 21.735 ( -6.918 0.788 7.581) 10.293 22.202 ( -11.024 -2.386 -4.750) 12.238 23.037 ( -10.650 -1.071 2.659) 11.029 23.446 ( -1.551 3.220 -8.638) 9.348 24.073 ( 5.476 8.363 9.998) 14.138 24.593 ( 18.064 12.606 -4.142) 22.414 ======================= Grid point 227 (74/171) ======================= q-point: (-0.36 0.07 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.205 ( -16.936 16.390 6.192) 24.368 3.461 ( -17.968 17.353 1.270) 25.011 3.924 ( -11.895 9.854 -10.694) 18.787 4.118 ( -6.024 -1.016 -6.462) 8.892 4.673 ( -2.886 -2.439 2.063) 4.305 5.060 ( -3.491 -1.577 -8.468) 9.294 5.538 ( -0.243 -5.991 11.868) 13.296 5.892 ( -10.870 -4.216 17.882) 21.347 6.367 ( -7.121 19.204 -1.160) 20.514 6.592 ( -9.643 -7.048 -6.789) 13.738 6.972 ( -3.007 5.134 5.943) 8.409 7.335 ( -24.289 10.945 10.351) 28.581 7.543 ( -18.010 -7.822 9.567) 21.842 8.228 ( -3.467 13.128 1.043) 13.618 8.711 ( 8.755 8.582 -12.476) 17.491 9.025 ( -11.481 -6.412 -8.905) 15.882 9.118 ( -26.616 -8.547 0.896) 27.969 9.212 ( -17.865 3.296 -1.616) 18.239 9.452 ( -25.171 7.099 -6.217) 26.881 9.615 ( -12.398 -3.466 -0.897) 12.904 9.979 ( -9.274 6.531 1.335) 11.422 10.161 ( 3.088 -7.519 0.669) 8.156 10.213 ( -12.695 -2.006 -12.987) 18.271 10.585 ( -13.710 -1.417 -16.399) 21.422 10.879 ( -14.489 -9.312 12.143) 21.074 11.342 ( -25.431 -0.168 4.709) 25.863 11.486 ( -23.946 1.907 6.658) 24.927 11.977 ( -26.579 7.108 4.210) 27.833 12.234 ( -6.973 -2.518 -5.223) 9.069 12.309 ( -13.802 9.572 8.911) 19.013 12.895 ( 3.583 -3.504 4.815) 6.950 13.187 ( 2.509 -5.058 -0.643) 5.682 13.602 ( 7.188 -9.930 -7.142) 14.187 13.874 ( 12.922 1.223 -4.004) 13.583 14.181 ( 3.927 -5.380 -1.317) 6.790 14.301 ( 11.724 -0.013 1.425) 11.811 14.552 ( 5.059 -4.258 9.781) 11.806 15.182 ( 9.285 4.796 -6.710) 12.419 16.221 ( -6.301 -7.126 3.743) 10.222 16.535 ( 1.656 -3.822 -3.428) 5.394 19.055 ( -12.127 -16.447 11.287) 23.344 20.113 ( -12.294 -23.042 -14.622) 29.931 21.504 ( -18.549 -1.380 6.930) 19.849 21.916 ( -23.357 -8.394 -4.402) 25.207 22.827 ( -11.190 -0.275 4.454) 12.047 23.385 ( -1.604 5.206 -11.363) 12.601 24.051 ( 0.510 13.267 13.835) 19.175 24.840 ( 19.256 17.808 -7.586) 27.303 ======================= Grid point 228 (75/171) ======================= q-point: (-0.29 0.07 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.683 ( -23.130 20.218 8.969) 32.003 2.905 ( -25.705 19.270 5.366) 32.571 3.682 ( -7.634 6.033 -17.868) 20.345 3.998 ( -6.226 1.829 -12.890) 14.431 4.601 ( -8.852 -0.532 3.321) 9.470 4.869 ( -10.730 5.582 -5.200) 13.166 5.586 ( -34.525 28.157 14.466) 46.841 5.629 ( -7.305 -10.871 14.802) 19.765 5.796 ( -8.209 4.253 14.052) 16.821 6.415 ( -10.115 -0.545 2.015) 10.328 6.913 ( -2.398 0.980 1.660) 3.076 7.035 ( -5.878 -12.661 -1.224) 14.012 7.364 ( -15.687 -18.102 8.195) 25.317 8.052 ( -7.069 11.945 5.778) 15.035 8.410 ( -34.524 6.889 -17.884) 39.487 8.646 ( -22.040 -5.883 0.807) 22.826 8.787 ( -13.764 13.160 -0.273) 19.045 8.835 ( -18.233 19.677 -9.085) 28.323 9.055 ( -14.422 -5.506 -12.891) 20.112 9.362 ( -19.394 -10.417 1.830) 22.090 9.719 ( -13.727 10.722 12.553) 21.470 9.849 ( -22.668 -10.321 -5.917) 25.601 10.135 ( -18.217 -1.463 -6.252) 19.315 10.238 ( -4.932 2.999 -12.178) 13.477 10.704 ( -10.433 -7.723 3.964) 13.572 11.041 ( -9.448 -6.227 0.875) 11.349 11.156 ( -8.089 -0.170 8.891) 12.021 11.516 ( -5.846 17.551 -1.801) 18.587 11.973 ( -3.821 4.637 8.416) 10.341 12.384 ( 10.548 2.886 -4.959) 12.007 13.039 ( 6.859 -6.750 5.041) 10.864 13.357 ( 7.262 -6.017 -0.647) 9.453 13.849 ( 9.259 -10.110 -4.812) 14.529 14.038 ( 4.547 -1.703 -4.833) 6.851 14.285 ( 5.582 -4.128 4.523) 8.286 14.454 ( 4.598 0.410 5.118) 6.892 14.942 ( 27.733 -5.414 1.319) 28.287 15.294 ( 7.018 9.315 -4.237) 12.408 16.162 ( -6.127 -9.903 5.737) 12.982 16.663 ( 7.996 -8.788 -5.435) 13.065 18.910 ( -17.382 -20.201 11.250) 28.927 20.000 ( -19.587 -26.626 -16.213) 36.817 21.019 ( -35.280 -6.791 7.112) 36.625 21.426 ( -38.351 -19.015 -4.814) 43.076 22.628 ( -8.729 2.403 6.605) 11.207 23.301 ( -2.882 6.598 -13.290) 15.115 23.913 ( -1.993 18.325 17.305) 25.283 25.062 ( 19.525 23.437 -14.098) 33.605 ======================= Grid point 229 (76/171) ======================= q-point: (-0.21 0.07 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( -24.293 24.153 14.525) 37.208 2.214 ( -30.190 20.964 11.223) 38.431 3.505 ( -7.357 5.354 -24.449) 26.088 3.815 ( -10.689 8.483 -27.264) 30.488 4.174 ( -46.241 28.065 17.025) 56.707 4.475 ( -18.459 10.212 14.553) 25.628 4.742 ( -8.547 2.763 6.708) 11.211 5.513 ( -8.411 -11.339 13.437) 19.490 5.909 ( -1.510 -13.015 3.555) 13.576 6.251 ( -8.513 -0.277 10.534) 13.547 6.678 ( -25.754 -7.397 -3.791) 27.062 6.971 ( -34.572 -9.313 -6.201) 36.337 7.144 ( 6.071 -5.414 -1.953) 8.366 7.814 ( -11.814 -3.743 21.747) 25.030 7.907 ( -8.224 5.716 -13.183) 16.556 8.167 ( -16.251 14.165 2.162) 21.666 8.376 ( -14.800 0.581 2.382) 15.002 8.447 ( -19.811 12.672 -3.532) 23.781 8.763 ( -14.821 -1.876 -10.757) 18.409 8.986 ( -27.611 -11.836 -7.177) 30.887 9.312 ( -13.996 14.160 11.120) 22.804 9.633 ( -9.748 -5.734 9.411) 14.713 9.942 ( -4.576 1.350 -3.530) 5.935 10.142 ( 5.994 14.770 -15.050) 21.923 10.662 ( -0.522 -5.746 -0.487) 5.790 10.996 ( -0.879 -7.519 -3.336) 8.273 11.137 ( 3.780 -0.205 6.623) 7.629 11.496 ( 14.022 13.802 -1.116) 19.707 12.056 ( 12.086 -0.794 7.956) 14.491 12.598 ( 13.091 2.648 -8.443) 15.801 13.192 ( 3.457 -5.655 2.779) 7.187 13.511 ( 5.148 -2.700 -3.096) 6.586 14.042 ( 1.967 -4.868 -3.132) 6.113 14.112 ( 2.433 -6.633 -4.580) 8.420 14.434 ( 6.386 0.538 8.818) 10.901 14.552 ( 4.833 -6.072 9.621) 12.360 15.240 ( -0.587 7.707 -3.195) 8.364 15.600 ( 29.191 -1.931 -7.508) 30.203 16.170 ( 2.707 -9.995 12.959) 16.588 16.994 ( 17.750 -13.918 -7.339) 23.720 18.679 ( -22.102 -19.773 10.052) 31.313 19.703 ( -30.620 -19.599 -17.413) 40.310 20.291 ( -47.575 -16.732 8.132) 51.083 20.721 ( -58.488 -39.463 -6.498) 70.854 22.446 ( -7.031 7.411 9.214) 13.757 23.177 ( -4.532 6.608 -11.413) 13.945 23.741 ( -0.272 21.012 15.405) 26.055 25.231 ( 19.183 32.922 -26.692) 46.522 ======================= Grid point 230 (77/171) ======================= q-point: (-0.14 0.07 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( -18.370 24.061 25.380) 39.504 1.504 ( -24.150 23.345 22.584) 40.476 2.855 ( -48.993 44.178 41.685) 78.036 3.320 ( -7.495 4.344 -22.714) 24.310 3.542 ( -8.192 9.515 -29.676) 32.222 4.370 ( -2.704 -4.176 2.051) 5.381 4.539 ( -11.157 1.825 2.500) 11.578 5.466 ( -6.327 -12.233 3.050) 14.106 5.763 ( -19.059 -6.021 -9.940) 22.323 6.013 ( -20.157 -9.330 3.057) 22.420 6.219 ( -14.025 -2.440 9.668) 17.208 6.656 ( 1.460 2.101 1.547) 2.990 7.280 ( 5.489 -0.423 -1.655) 5.748 7.604 ( -23.715 -6.979 1.383) 24.759 7.849 ( 1.105 -0.429 -10.817) 10.882 7.932 ( -0.921 -2.434 21.328) 21.486 8.091 ( -0.302 4.094 6.717) 7.873 8.262 ( -2.120 1.292 3.326) 4.151 8.490 ( -13.346 -2.243 -1.219) 13.588 8.584 ( -20.696 -7.899 -3.995) 22.510 9.032 ( -4.946 13.676 7.203) 16.229 9.614 ( 3.575 -4.031 14.317) 15.298 9.791 ( -6.156 2.352 -0.733) 6.630 10.370 ( 31.532 21.033 -10.704) 39.386 10.719 ( 4.876 -2.282 -1.011) 5.478 11.094 ( 5.109 -5.198 1.023) 7.360 11.244 ( 9.193 4.128 6.598) 12.045 11.791 ( 22.445 8.537 1.358) 24.052 12.352 ( 12.795 -8.092 1.831) 15.249 12.828 ( 12.915 2.570 -9.705) 16.358 13.225 ( -7.002 -6.877 -4.105) 10.638 13.584 ( 2.397 2.471 -8.403) 9.081 13.960 ( -12.207 -1.848 -3.279) 12.774 14.220 ( 2.003 -6.057 -2.971) 7.037 14.482 ( 1.206 4.704 8.102) 9.446 14.713 ( 4.778 -6.659 18.391) 20.134 15.140 ( -5.615 -2.840 -3.290) 7.101 15.951 ( 11.606 1.514 -6.651) 13.462 16.613 ( 32.119 -7.994 14.718) 36.223 17.508 ( 19.102 -21.642 -5.850) 29.453 18.358 ( -22.216 -9.451 7.569) 25.301 19.125 ( -36.868 -8.458 -13.402) 40.130 19.519 ( -49.059 -19.820 5.299) 53.176 19.706 ( -86.816 -67.920 -5.000) 110.341 22.252 ( -5.297 11.410 13.203) 18.236 23.060 ( -2.921 3.991 -7.751) 9.195 23.597 ( 0.842 20.194 8.718) 22.012 25.260 ( 14.763 54.557 -52.118) 76.881 ======================= Grid point 231 (78/171) ======================= q-point: (-0.07 0.07 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( -0.000 21.293 36.717) 42.445 1.092 ( -0.000 17.952 40.337) 44.151 1.955 ( -0.000 43.843 62.359) 76.230 3.212 ( -0.000 2.583 -20.689) 20.849 3.414 ( -0.000 5.444 -29.593) 30.090 4.312 ( 0.000 -0.198 1.306) 1.321 4.430 ( 0.000 -0.302 1.107) 1.148 5.458 ( 0.000 -9.315 -32.921) 34.214 5.591 ( 0.000 -5.365 4.336) 6.898 5.823 ( 0.000 -2.307 -1.506) 2.755 6.186 ( 0.000 -11.428 20.946) 23.861 6.710 ( -0.000 9.153 10.795) 14.153 7.293 ( 0.000 -1.739 0.243) 1.756 7.344 ( -0.000 2.731 -0.983) 2.903 7.828 ( 0.000 -10.852 -12.033) 16.204 8.072 ( -0.000 0.293 2.502) 2.519 8.155 ( 0.000 -5.365 13.385) 14.420 8.265 ( -0.000 10.774 -12.207) 16.282 8.274 ( -0.000 1.065 -2.167) 2.415 8.477 ( 0.000 -24.484 22.701) 33.389 8.902 ( -0.000 9.232 3.795) 9.981 9.647 ( 0.000 -0.080 -3.487) 3.488 9.794 ( 0.000 -8.123 17.130) 18.958 10.640 ( 0.000 -0.265 -18.584) 18.586 11.017 ( 0.000 -13.338 6.561) 14.864 11.213 ( 0.000 -5.049 5.274) 7.302 11.642 ( 0.000 -1.981 -0.403) 2.021 12.151 ( -0.000 12.365 7.006) 14.212 12.586 ( 0.000 -3.559 -7.424) 8.233 12.715 ( -0.000 0.177 6.378) 6.380 13.058 ( -0.000 1.539 -15.436) 15.513 13.627 ( -0.000 0.034 -22.087) 22.087 13.690 ( -0.000 7.423 6.400) 9.801 14.259 ( 0.000 -2.407 -5.559) 6.058 14.441 ( -0.000 4.422 7.066) 8.336 14.777 ( 0.000 -0.136 26.884) 26.885 15.136 ( 0.000 -10.288 -6.911) 12.393 16.238 ( 0.000 -0.087 -15.202) 15.202 17.116 ( 0.000 -6.381 16.788) 17.960 17.749 ( 0.000 -64.797 42.532) 77.509 18.072 ( 0.000 -0.162 7.870) 7.872 18.542 ( 0.000 -0.059 -3.949) 3.949 18.924 ( 0.000 -23.426 -1.673) 23.486 19.173 ( 0.000 -25.508 2.707) 25.651 22.125 ( -0.000 4.306 18.282) 18.782 23.014 ( -0.000 1.032 -5.457) 5.553 23.470 ( -0.000 16.638 2.439) 16.816 24.840 ( -0.000 103.577 -77.554) 129.394 ======================= Grid point 234 (79/171) ======================= q-point: ( 0.14 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.993 ( 25.681 -0.000 9.325) 27.322 3.046 ( 23.845 -0.000 2.756) 24.004 3.689 ( 11.861 -0.000 -5.724) 13.169 4.427 ( 21.411 -0.000 -13.772) 25.458 4.781 ( 1.011 -0.000 -6.151) 6.233 4.838 ( 16.903 -0.000 1.208) 16.946 5.451 ( 20.033 -0.000 10.543) 22.638 5.527 ( -19.812 0.000 11.403) 22.859 6.206 ( 12.517 -0.000 -0.603) 12.532 6.533 ( 19.528 -0.000 14.998) 24.623 6.781 ( -3.223 0.000 -2.453) 4.050 7.347 ( -1.990 0.000 2.531) 3.219 7.672 ( -2.193 0.000 -8.008) 8.303 8.049 ( 3.310 -0.000 19.563) 19.841 8.115 ( -0.886 0.000 -12.711) 12.742 9.080 ( 32.731 -0.000 4.815) 33.084 9.177 ( 31.819 -0.000 -14.604) 35.011 9.380 ( 13.926 -0.000 -9.735) 16.991 9.385 ( 30.725 -0.000 -2.173) 30.801 9.759 ( 10.237 -0.000 10.504) 14.668 10.107 ( 0.945 -0.000 -0.968) 1.353 10.215 ( 4.142 -0.000 -16.512) 17.024 10.297 ( 17.958 -0.000 4.777) 18.582 10.893 ( 1.814 -0.000 -3.472) 3.917 11.154 ( 40.916 -0.000 -10.036) 42.129 11.165 ( 14.338 -0.000 11.949) 18.664 11.547 ( 24.800 -0.000 -6.793) 25.714 11.906 ( 25.384 -0.000 0.168) 25.384 11.959 ( 28.970 -0.000 10.388) 30.776 12.082 ( 3.234 -0.000 2.801) 4.278 13.051 ( -9.535 0.000 6.266) 11.409 13.151 ( -13.449 0.000 3.841) 13.987 13.764 ( -10.130 0.000 -0.597) 10.148 13.860 ( -15.574 0.000 -9.002) 17.989 14.192 ( -0.322 0.000 -0.873) 0.930 14.499 ( -22.919 0.000 4.809) 23.418 14.793 ( 0.116 -0.000 4.665) 4.667 14.964 ( -0.059 0.000 -4.842) 4.842 16.505 ( 5.084 -0.000 0.064) 5.085 16.613 ( -11.098 0.000 -2.170) 11.308 19.473 ( 4.672 -0.000 10.833) 11.798 20.664 ( 5.426 -0.000 -22.182) 22.836 21.692 ( 11.059 -0.000 17.246) 20.488 22.641 ( 12.282 -0.000 -12.248) 17.345 23.008 ( 14.234 -0.000 2.124) 14.392 23.128 ( -0.214 0.000 1.127) 1.148 23.561 ( 7.538 -0.000 3.305) 8.231 23.894 ( -9.701 0.000 -4.526) 10.705 ======================= Grid point 235 (80/171) ======================= q-point: ( 0.21 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.314 ( 11.691 -1.198 0.469) 11.761 3.448 ( 17.184 -2.539 -3.217) 17.666 4.080 ( 25.058 3.795 0.062) 25.344 4.683 ( 4.482 3.971 2.467) 6.476 4.827 ( 8.166 6.612 -16.294) 19.388 5.060 ( -0.821 -0.325 -0.929) 1.282 5.320 ( 1.031 -9.243 8.623) 12.683 5.677 ( 2.440 -11.642 4.133) 12.592 6.390 ( 8.350 6.007 1.280) 10.366 6.725 ( 0.278 -0.140 -6.110) 6.118 6.920 ( 12.420 -4.731 12.781) 18.439 7.489 ( 17.816 -3.013 4.155) 18.541 7.633 ( -2.329 -1.973 -5.677) 6.445 8.105 ( 3.009 -0.809 24.141) 24.341 8.127 ( -0.235 -4.191 -1.777) 4.559 9.300 ( -6.201 1.485 -5.460) 8.395 9.523 ( 14.868 0.039 -1.411) 14.935 9.857 ( 13.890 -0.895 -6.054) 15.178 9.949 ( 25.723 4.325 -4.615) 26.489 9.987 ( 26.827 0.026 -6.676) 27.646 10.158 ( 7.927 4.828 -3.055) 9.771 10.310 ( 6.106 -1.491 -10.931) 12.609 10.382 ( -1.801 3.382 2.796) 4.743 10.788 ( -9.542 -0.111 -2.766) 9.935 11.529 ( 16.345 1.233 12.008) 20.319 11.829 ( 17.322 0.608 -2.465) 17.507 11.968 ( 21.457 15.725 -5.854) 27.239 12.230 ( 26.846 -17.969 -8.096) 33.304 12.395 ( 13.234 12.440 11.535) 21.517 12.602 ( 12.426 -10.995 8.032) 18.434 12.859 ( -8.313 1.069 4.961) 9.740 12.998 ( 7.471 -3.716 9.900) 12.947 13.543 ( -15.947 0.018 -15.593) 22.303 13.658 ( 2.957 -0.061 -1.821) 3.474 14.145 ( -13.108 0.912 11.543) 17.490 14.234 ( 4.761 -0.002 -6.779) 8.284 14.795 ( 1.112 2.209 3.889) 4.609 15.017 ( 4.682 0.003 -5.805) 7.458 16.439 ( -5.962 0.978 0.841) 6.100 16.591 ( 4.039 1.140 -2.617) 4.945 19.497 ( -0.804 2.397 11.377) 11.654 20.659 ( -3.759 3.189 -19.281) 19.901 21.814 ( 3.708 1.505 14.085) 14.642 22.684 ( -1.994 9.542 -13.098) 16.327 23.189 ( 13.023 7.741 5.036) 15.965 23.323 ( 11.766 -3.839 0.215) 12.378 23.648 ( -0.646 -4.866 1.928) 5.273 23.767 ( -8.513 -14.144 -0.794) 16.528 ======================= Grid point 236 (81/171) ======================= q-point: ( 0.29 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.574 ( 14.542 -2.225 -4.541) 15.396 3.750 ( 12.381 -3.402 -7.913) 15.083 4.414 ( 14.306 12.252 -2.168) 18.960 4.672 ( -1.550 -0.016 0.557) 1.647 4.866 ( 2.430 10.960 -3.498) 11.758 5.028 ( 0.690 1.241 0.808) 1.634 5.466 ( 1.826 -10.176 1.731) 10.482 5.806 ( -0.981 -22.107 1.114) 22.157 6.420 ( 1.490 11.088 6.365) 12.871 6.755 ( 2.656 -0.834 -3.549) 4.511 7.141 ( 4.695 -10.964 1.281) 11.996 7.603 ( -2.173 -2.056 -6.835) 7.461 7.945 ( 17.834 -2.368 12.922) 22.150 8.147 ( 7.192 -4.380 11.575) 14.314 8.233 ( 4.868 -7.262 14.614) 17.030 9.114 ( -10.490 -4.401 -2.025) 11.555 9.679 ( 2.303 1.501 -2.663) 3.827 10.048 ( 7.829 -1.388 -2.855) 8.448 10.118 ( 0.052 16.261 0.251) 16.263 10.279 ( 1.184 2.614 -1.197) 3.109 10.392 ( 7.301 2.651 -7.696) 10.935 10.425 ( 13.182 -0.573 -23.308) 26.783 10.614 ( 21.650 1.100 -1.071) 21.704 10.719 ( 9.962 -2.254 -0.952) 10.258 11.647 ( -2.376 10.384 -3.870) 11.334 11.705 ( -10.661 13.877 -0.860) 17.520 12.290 ( -7.766 2.687 16.951) 18.838 12.375 ( 9.003 2.376 4.716) 10.437 12.438 ( -8.367 -0.136 6.425) 10.550 12.837 ( 10.324 -16.909 -1.838) 19.897 12.843 ( 1.921 -6.927 5.989) 9.357 13.321 ( -6.964 -1.503 -16.186) 17.684 13.392 ( 21.494 0.919 8.509) 23.135 13.866 ( 10.315 -4.085 -5.750) 12.496 13.984 ( -3.207 0.126 12.151) 12.568 14.360 ( 7.200 1.155 -8.271) 11.027 14.788 ( -0.551 2.149 4.430) 4.954 15.126 ( 7.173 3.095 -6.474) 10.146 16.377 ( -0.585 -0.647 2.483) 2.631 16.634 ( 1.303 2.585 -3.491) 4.535 19.423 ( -4.636 2.463 11.320) 12.478 20.508 ( -8.736 3.304 -16.060) 18.578 21.846 ( 1.316 1.378 11.008) 11.172 22.547 ( -4.138 7.374 -8.643) 12.091 23.358 ( 8.086 7.343 1.963) 11.098 23.501 ( 5.058 4.537 -1.947) 7.068 23.657 ( -0.828 -10.084 3.371) 10.665 23.815 ( 3.109 -15.223 -0.307) 15.541 ======================= Grid point 237 (82/171) ======================= q-point: ( 0.36 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.855 ( 13.220 3.441 -5.264) 14.640 3.979 ( 9.287 -2.114 -9.103) 13.175 4.472 ( 2.575 12.296 -3.151) 12.952 4.650 ( -2.127 -3.974 -2.295) 5.058 4.819 ( 1.183 10.160 -0.332) 10.234 5.004 ( -1.621 4.360 -2.548) 5.303 5.541 ( -0.683 -10.070 6.031) 11.758 5.934 ( -2.731 -16.179 1.354) 16.464 6.326 ( -4.001 2.356 9.322) 10.414 6.814 ( 2.620 1.370 -3.160) 4.327 7.194 ( -10.110 -15.666 3.231) 18.923 7.598 ( 0.546 -2.266 -9.909) 10.179 8.112 ( 8.708 1.104 15.682) 17.971 8.228 ( -1.865 1.103 14.494) 14.655 8.633 ( 21.124 -10.266 4.341) 23.884 9.094 ( 0.606 -17.644 -2.058) 17.774 9.614 ( -5.872 3.057 -2.208) 6.979 9.900 ( -8.365 11.201 2.710) 14.240 10.161 ( -1.749 -1.623 -0.730) 2.495 10.219 ( -4.464 -2.787 -1.987) 5.626 10.459 ( 6.120 11.951 -11.602) 17.745 10.553 ( -0.749 0.540 -13.894) 13.924 10.867 ( 3.734 7.994 4.080) 9.721 11.074 ( 16.087 7.011 -4.950) 18.234 11.269 ( -12.964 12.289 -2.066) 17.982 11.453 ( -8.235 10.891 -16.201) 21.187 12.152 ( -3.799 -4.022 11.895) 13.119 12.234 ( -2.582 -0.518 10.658) 10.978 12.525 ( -2.898 -1.451 6.175) 6.974 12.881 ( 7.157 1.207 14.123) 15.879 13.081 ( -3.501 -18.561 -7.414) 20.292 13.262 ( -2.971 -2.748 -11.961) 12.627 13.644 ( 5.247 1.594 8.599) 10.198 13.908 ( -1.371 0.750 8.742) 8.880 14.065 ( 1.795 -7.628 -5.139) 9.371 14.397 ( -3.978 0.612 -7.738) 8.722 14.732 ( -4.286 2.276 5.623) 7.428 15.205 ( 3.256 5.324 -7.283) 9.590 16.395 ( 0.423 -1.651 2.081) 2.689 16.591 ( -3.631 2.397 -2.544) 5.040 19.295 ( -7.415 0.159 10.951) 13.226 20.304 ( -10.840 -0.166 -13.794) 17.544 21.854 ( 0.600 1.459 8.991) 9.129 22.440 ( -2.611 4.350 -6.373) 8.146 23.343 ( -4.361 3.039 0.499) 5.339 23.511 ( 0.241 0.868 -4.484) 4.573 23.806 ( 9.259 -3.853 6.347) 11.869 24.071 ( 14.226 -5.181 -1.318) 15.198 ======================= Grid point 238 (83/171) ======================= q-point: (-0.57 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.968 ( 4.548 14.008 -0.990) 14.761 4.111 ( 4.340 2.965 -7.015) 8.766 4.363 ( -5.387 8.407 -1.480) 10.094 4.614 ( -4.451 2.085 -7.002) 8.555 4.816 ( 3.759 -0.198 -3.546) 5.172 4.908 ( -3.793 6.559 -3.100) 8.186 5.599 ( -1.566 -8.615 8.461) 12.176 5.857 ( -8.582 1.292 13.790) 16.293 6.325 ( -3.659 -20.281 1.033) 20.634 6.800 ( -3.367 2.184 -4.317) 5.894 7.062 ( -12.684 -15.394 6.839) 21.086 7.638 ( 1.771 -2.359 -11.381) 11.757 8.188 ( -0.297 1.340 13.626) 13.695 8.328 ( 13.925 1.824 8.845) 16.597 8.879 ( -5.831 0.565 0.755) 5.907 9.283 ( 3.516 -13.761 -6.109) 15.461 9.565 ( 3.633 -6.561 2.828) 8.015 9.683 ( -5.516 4.958 5.008) 8.949 10.005 ( -17.710 -4.169 -0.834) 18.213 10.122 ( -10.189 -6.458 -5.166) 13.123 10.361 ( -7.264 7.741 -5.775) 12.085 10.411 ( -10.969 18.943 -3.829) 22.222 10.552 ( -16.158 14.522 -0.577) 21.732 10.906 ( -1.827 10.366 8.278) 13.391 11.211 ( -8.485 6.385 -26.239) 28.306 11.547 ( 19.586 3.066 -10.039) 22.221 12.184 ( -1.563 -2.302 11.542) 11.872 12.294 ( -3.781 -4.901 6.763) 9.168 12.385 ( -0.488 -2.453 12.520) 12.767 12.939 ( -14.944 -11.951 -0.934) 19.158 13.106 ( -0.046 -6.359 1.103) 6.454 13.217 ( 0.213 -0.586 -5.872) 5.905 13.578 ( -7.554 3.857 4.759) 9.726 13.891 ( -0.649 -0.534 7.394) 7.442 14.027 ( -16.457 -6.929 -0.612) 17.866 14.241 ( -5.375 0.993 -8.988) 10.520 14.606 ( -6.699 -0.371 5.909) 8.940 15.159 ( -2.557 6.231 -7.840) 10.336 16.375 ( -4.098 -0.505 1.570) 4.418 16.503 ( -3.436 -0.797 -1.442) 3.811 19.146 ( -9.657 -4.185 10.672) 14.989 20.109 ( -11.821 -6.178 -12.576) 18.332 21.841 ( -1.076 1.907 7.755) 8.058 22.359 ( -4.034 2.935 -5.426) 7.371 23.205 ( -8.209 0.349 1.538) 8.359 23.506 ( -0.128 1.061 -7.024) 7.104 24.016 ( 10.859 1.370 8.218) 13.687 24.401 ( 18.611 2.201 -2.583) 18.918 ======================= Grid point 239 (84/171) ======================= q-point: (-0.50 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.834 ( -4.319 21.122 2.077) 21.659 4.062 ( -4.824 14.319 -3.113) 15.427 4.190 ( -7.790 0.317 -0.228) 7.800 4.450 ( -6.111 13.286 -12.458) 19.211 4.756 ( -6.561 3.544 -0.952) 7.518 4.930 ( 3.852 -4.749 -2.594) 6.642 5.522 ( -9.062 -3.373 11.772) 15.234 5.795 ( -1.812 -10.770 16.825) 20.058 6.404 ( -2.863 -15.967 -5.881) 17.255 6.651 ( -12.950 -8.176 -3.892) 15.802 7.006 ( -1.599 -4.844 7.330) 8.930 7.669 ( -2.351 1.103 -6.524) 7.021 8.126 ( -6.609 6.771 10.707) 14.289 8.534 ( -4.871 3.061 2.603) 6.314 8.616 ( 1.623 1.307 0.629) 2.177 9.208 ( -12.874 8.471 -7.877) 17.307 9.526 ( -30.865 -6.724 1.960) 31.650 9.665 ( -8.884 3.376 0.371) 9.511 9.757 ( 4.653 -16.299 2.720) 17.167 9.806 ( -13.064 10.183 3.126) 16.856 10.042 ( -13.602 4.470 -6.606) 15.768 10.172 ( -4.077 0.653 -6.786) 7.944 10.350 ( -2.710 9.070 -3.968) 10.264 10.830 ( -0.688 7.376 12.338) 14.391 10.980 ( -12.943 2.810 -25.597) 28.821 11.767 ( 0.971 6.144 -12.706) 14.147 11.949 ( -24.015 -6.430 7.866) 26.076 12.134 ( -4.964 -1.206 16.120) 16.910 12.532 ( -29.066 -6.826 2.576) 29.967 12.643 ( 9.269 -6.655 6.924) 13.347 12.878 ( -20.498 -3.139 9.691) 22.890 13.270 ( -8.289 -2.532 -10.311) 13.469 13.530 ( -11.648 -0.568 -4.876) 12.641 13.618 ( 5.373 0.601 -6.611) 8.540 13.958 ( 3.844 -1.975 10.900) 11.726 14.223 ( 0.809 -0.113 -4.421) 4.496 14.508 ( -3.481 -1.438 6.761) 7.739 15.108 ( 3.123 3.359 -7.532) 8.818 16.268 ( -6.695 -0.766 2.650) 7.241 16.473 ( -1.796 -3.001 -2.103) 4.081 18.987 ( -12.512 -10.036 10.726) 19.296 19.939 ( -13.808 -13.850 -12.004) 22.947 21.760 ( -6.630 2.330 6.433) 9.527 22.201 ( -11.807 1.641 -4.733) 12.826 23.026 ( -10.513 -0.444 3.025) 10.948 23.488 ( -0.401 2.466 -9.807) 10.120 24.175 ( 7.907 5.610 11.016) 14.675 24.737 ( 19.776 7.240 -4.400) 21.514 ======================= Grid point 240 (85/171) ======================= q-point: (-0.43 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.512 ( -11.320 24.914 2.721) 27.500 3.741 ( -14.428 20.398 -0.219) 24.986 4.009 ( -10.951 2.523 -5.179) 12.374 4.229 ( -4.617 14.711 -9.574) 18.150 4.646 ( -3.795 -1.059 2.479) 4.655 5.003 ( -1.668 -5.655 -5.784) 8.259 5.420 ( -5.049 -8.879 14.331) 17.598 5.813 ( -5.639 -7.441 15.947) 18.479 6.424 ( -8.999 -14.541 -7.712) 18.759 6.499 ( -5.057 -2.546 -5.551) 7.929 7.012 ( -0.668 0.687 7.567) 7.628 7.412 ( -19.713 1.045 10.645) 22.428 7.705 ( -29.735 25.718 11.434) 40.943 8.338 ( -6.324 1.224 -4.624) 7.929 8.715 ( -2.786 -4.895 -10.640) 12.039 8.908 ( -25.564 -9.246 -3.110) 27.362 9.053 ( -3.776 0.222 0.394) 3.803 9.304 ( -17.999 7.176 1.274) 19.418 9.569 ( -16.738 7.365 -0.591) 18.296 9.645 ( -16.117 8.426 -9.420) 20.482 9.973 ( -4.046 -11.277 -0.938) 12.018 10.097 ( -1.467 2.492 -6.670) 7.269 10.250 ( -2.501 8.566 -3.823) 9.708 10.632 ( -21.344 4.010 -18.987) 28.847 10.751 ( -7.889 -5.338 13.772) 16.745 11.367 ( -32.034 4.111 0.289) 32.298 11.494 ( -23.340 -2.408 5.950) 24.207 11.995 ( -16.388 -1.947 16.313) 23.205 12.149 ( -11.210 -9.565 -6.548) 16.125 12.505 ( -7.666 15.175 4.885) 17.690 12.828 ( -0.549 -6.194 2.541) 6.717 13.091 ( -1.461 -7.410 -1.270) 7.659 13.454 ( 3.005 -8.017 -6.747) 10.901 13.890 ( 11.559 0.856 -6.198) 13.144 14.105 ( 6.720 -4.506 1.907) 8.313 14.305 ( 11.404 -1.265 1.495) 11.570 14.521 ( 5.073 0.799 9.161) 10.502 15.239 ( 11.607 2.837 -7.589) 14.155 16.140 ( -8.277 -3.687 4.347) 10.050 16.472 ( -0.939 -4.623 -3.390) 5.809 18.807 ( -16.734 -16.722 11.111) 26.136 19.772 ( -17.936 -22.434 -11.734) 31.027 21.510 ( -19.069 1.901 4.518) 19.689 21.853 ( -24.842 -1.100 -4.144) 25.210 22.823 ( -10.330 -0.310 4.973) 11.469 23.456 ( -0.421 4.310 -13.006) 13.708 24.225 ( 3.326 10.248 15.223) 18.651 25.047 ( 19.480 10.644 -7.341) 23.381 ======================= Grid point 241 (86/171) ======================= q-point: (-0.36 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.043 ( -17.069 28.188 4.549) 33.266 3.225 ( -22.102 23.824 2.261) 32.576 3.784 ( -7.405 7.561 -13.357) 17.041 4.061 ( -5.108 7.083 -11.230) 14.226 4.586 ( -5.383 -1.170 3.292) 6.417 4.906 ( -10.071 -0.951 -8.135) 12.981 5.458 ( -2.466 -12.211 15.930) 20.223 5.667 ( -9.709 -1.851 14.863) 17.849 6.196 ( -29.526 23.570 7.930) 38.603 6.344 ( -10.895 -4.129 -4.077) 12.344 6.808 ( -23.361 -4.357 5.100) 24.305 7.050 ( -2.474 8.106 6.575) 10.727 7.123 ( -16.172 -13.889 12.085) 24.505 8.150 ( -18.156 0.809 6.258) 19.222 8.449 ( -20.320 -4.723 -13.358) 24.772 8.557 ( -21.351 -3.755 -7.753) 23.023 8.874 ( -22.786 0.306 -8.397) 24.286 9.040 ( -12.737 5.743 -3.576) 14.423 9.167 ( -7.431 16.620 -4.366) 18.722 9.244 ( -24.045 -0.400 -6.380) 24.880 9.665 ( -20.784 -6.993 3.195) 22.160 9.979 ( -15.636 17.110 9.082) 24.894 10.146 ( -13.198 3.420 -7.201) 15.418 10.267 ( 4.108 0.183 -13.202) 13.828 10.586 ( -11.905 -7.392 5.996) 15.242 10.921 ( -13.930 -8.702 -2.960) 16.689 11.187 ( -6.732 2.283 6.192) 9.428 11.760 ( -1.009 12.999 8.250) 15.429 12.034 ( -3.106 2.830 -1.888) 4.606 12.411 ( 5.042 3.374 -0.803) 6.120 12.920 ( 5.346 -9.595 4.650) 11.927 13.244 ( 6.550 -8.654 -1.139) 10.913 13.649 ( 6.693 -14.870 -3.761) 16.735 14.021 ( 3.118 -0.572 -6.101) 6.875 14.220 ( 4.576 -3.449 3.954) 6.962 14.534 ( 9.048 7.785 4.857) 12.887 14.847 ( 27.842 -7.198 2.675) 28.882 15.426 ( 9.400 8.545 -5.435) 13.818 16.029 ( -6.435 -7.884 5.833) 11.730 16.533 ( 3.527 -8.746 -5.397) 10.865 18.587 ( -21.387 -22.919 11.540) 33.404 19.567 ( -24.150 -30.341 -11.563) 40.466 20.971 ( -36.765 -0.256 3.011) 36.889 21.257 ( -40.004 -5.557 -4.015) 40.587 22.654 ( -6.894 1.143 6.598) 9.611 23.401 ( -1.292 6.684 -15.750) 17.158 24.163 ( 0.506 15.343 19.912) 25.143 25.328 ( 19.075 13.287 -12.233) 26.269 ======================= Grid point 242 (87/171) ======================= q-point: (-0.29 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.461 ( -20.699 30.270 9.133) 37.790 2.570 ( -25.588 27.129 6.754) 37.899 3.607 ( -6.251 8.279 -19.471) 22.062 3.914 ( -6.375 5.893 -23.700) 25.240 4.377 ( -13.866 4.919 2.101) 14.862 4.715 ( -10.962 3.222 -2.907) 11.790 5.004 ( -45.474 43.386 22.739) 66.838 5.378 ( -8.839 -6.398 19.179) 22.066 5.694 ( -3.762 -15.302 8.911) 18.102 6.196 ( -13.906 -7.523 5.332) 16.686 6.511 ( -22.498 -14.415 -2.025) 26.796 6.842 ( -22.785 -9.643 0.829) 24.755 7.094 ( 5.980 -0.836 -0.354) 6.048 7.709 ( -23.841 -7.898 15.246) 29.380 8.038 ( -12.841 9.706 -14.144) 21.428 8.346 ( -13.265 -2.731 3.192) 13.914 8.355 ( -16.283 7.453 0.494) 17.915 8.585 ( -28.116 3.185 -6.146) 28.955 8.777 ( -19.561 2.769 -10.277) 22.269 8.825 ( -23.518 -3.443 -5.136) 24.317 9.516 ( -4.724 -7.666 10.228) 13.627 9.588 ( -8.120 20.326 12.112) 25.015 9.958 ( -6.591 1.237 -5.109) 8.431 10.353 ( 11.256 12.505 -14.160) 21.990 10.561 ( 1.788 -7.724 -0.325) 7.935 10.849 ( -2.125 -10.672 -4.489) 11.771 11.188 ( 8.112 5.701 2.500) 10.225 11.755 ( 12.885 20.067 2.985) 24.033 12.065 ( 8.460 1.877 4.968) 9.989 12.579 ( 9.713 -5.089 -7.152) 13.092 13.098 ( 4.322 -7.936 3.645) 9.744 13.420 ( 5.218 -8.613 -1.417) 10.170 13.879 ( 3.871 -17.008 -5.136) 18.183 14.033 ( -2.791 -3.459 -7.957) 9.114 14.359 ( 6.306 -5.094 9.207) 12.267 14.614 ( 6.283 9.132 9.739) 14.755 15.334 ( -2.360 5.034 -1.325) 5.716 15.571 ( 29.912 -2.421 -3.364) 30.198 16.053 ( 5.102 -4.793 7.455) 10.226 16.790 ( 15.100 -13.452 -7.404) 21.536 18.335 ( -23.094 -26.064 11.178) 36.574 19.276 ( -31.543 -34.658 -11.158) 48.173 20.130 ( -51.703 -4.722 2.602) 51.983 20.397 ( -56.015 -9.714 -3.787) 56.977 22.533 ( -4.182 4.224 7.358) 9.459 23.301 ( -2.890 9.510 -15.779) 18.649 24.042 ( 0.663 19.355 21.760) 29.130 25.581 ( 18.541 16.130 -20.601) 32.068 ======================= Grid point 243 (88/171) ======================= q-point: (-0.21 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( -19.550 28.357 18.270) 38.988 1.915 ( -18.412 31.299 14.923) 39.260 3.401 ( -8.711 7.095 -17.818) 21.064 3.589 ( -32.105 43.223 15.683) 56.079 3.736 ( -10.632 25.644 -20.494) 34.506 4.327 ( -2.774 -0.941 1.410) 3.251 4.555 ( -11.875 0.355 -0.358) 11.886 5.300 ( -5.400 -9.442 12.075) 16.252 5.653 ( -13.894 -9.167 -2.603) 16.848 5.854 ( -19.349 -11.620 7.686) 23.843 6.145 ( -20.598 -7.879 3.597) 22.345 6.679 ( 4.349 -0.708 -4.067) 5.996 7.231 ( 6.127 -6.170 -2.353) 9.008 7.449 ( -15.029 -11.959 12.700) 23.026 7.822 ( -11.210 -3.011 -8.547) 14.414 7.999 ( -9.876 10.087 7.573) 16.019 8.144 ( -7.983 3.373 7.563) 11.502 8.265 ( -3.035 -1.862 7.925) 8.688 8.422 ( -13.310 -0.751 2.799) 13.622 8.516 ( -13.840 -6.727 -15.811) 22.063 9.326 ( -2.515 24.691 10.690) 27.023 9.538 ( 1.096 -5.759 12.613) 13.909 9.820 ( -5.754 1.342 -1.397) 6.071 10.546 ( 11.418 5.174 -15.729) 20.113 10.665 ( 5.797 -5.235 -1.012) 7.877 10.972 ( 5.154 -9.899 -1.087) 11.213 11.386 ( 20.502 12.345 -1.210) 23.962 11.972 ( 22.944 15.688 4.103) 28.096 12.279 ( 12.212 -2.301 1.540) 12.522 12.802 ( 8.665 -5.883 -10.310) 14.696 13.138 ( -7.492 -5.426 -2.417) 9.561 13.563 ( 3.836 -5.252 -6.440) 9.153 13.898 ( -10.494 -6.257 -7.123) 14.143 14.086 ( 0.624 -14.832 -6.300) 16.127 14.498 ( 2.301 -3.785 10.410) 11.314 14.661 ( 5.615 4.033 15.360) 16.844 15.091 ( -16.065 -2.302 9.052) 18.583 16.009 ( 14.796 5.552 -9.811) 18.601 16.498 ( 34.130 -6.656 9.279) 35.990 17.240 ( 16.580 -13.554 -4.492) 21.881 18.133 ( -14.101 -20.909 8.996) 26.776 18.859 ( -37.093 -31.613 -7.964) 49.383 19.122 ( -59.088 -12.375 0.630) 60.373 19.309 ( -57.023 -7.816 -0.835) 57.562 22.419 ( -2.681 9.272 8.318) 12.742 23.169 ( -2.513 10.393 -12.701) 16.602 23.910 ( 1.032 21.326 18.770) 28.428 25.778 ( 14.823 20.577 -35.338) 43.496 ======================= Grid point 244 (89/171) ======================= q-point: (-0.14 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( -0.000 26.405 30.452) 40.306 1.483 ( -0.000 30.903 23.910) 39.073 2.762 ( -0.000 62.383 38.885) 73.510 3.267 ( -0.000 4.866 -17.214) 17.889 3.551 ( -0.000 12.835 -32.345) 34.799 4.308 ( 0.000 -0.263 -1.569) 1.591 4.423 ( 0.000 -0.771 -0.002) 0.771 5.320 ( 0.000 -7.964 -13.976) 16.085 5.480 ( 0.000 -9.487 6.080) 11.268 5.773 ( 0.000 -4.473 -1.696) 4.784 6.012 ( 0.000 -12.499 15.944) 20.260 6.809 ( -0.000 2.023 -1.144) 2.324 7.249 ( 0.000 -3.978 1.228) 4.163 7.407 ( -0.000 5.456 -2.547) 6.021 7.640 ( 0.000 -16.730 -8.505) 18.768 7.993 ( 0.000 -8.901 34.319) 35.455 8.078 ( -0.000 0.579 2.988) 3.043 8.280 ( 0.000 -4.774 15.189) 15.922 8.295 ( -0.000 1.682 -2.153) 2.732 8.374 ( -0.000 2.221 -14.909) 15.074 9.129 ( -0.000 21.798 8.466) 23.384 9.598 ( 0.000 -5.782 9.514) 11.134 9.757 ( -0.000 1.157 4.523) 4.669 10.622 ( 0.000 -1.728 -15.408) 15.504 10.837 ( 0.000 -11.022 0.989) 11.066 11.105 ( 0.000 -9.142 2.731) 9.541 11.677 ( -0.000 4.879 -6.569) 8.183 12.252 ( -0.000 3.124 13.771) 14.121 12.629 ( -0.000 7.738 -18.951) 20.469 12.719 ( -0.000 0.319 6.354) 6.362 12.988 ( 0.000 -8.964 -15.798) 18.164 13.628 ( -0.000 0.062 -22.044) 22.044 13.758 ( 0.000 -1.229 3.745) 3.941 14.180 ( 0.000 -9.824 -6.640) 11.858 14.486 ( -0.000 1.158 8.192) 8.273 14.775 ( 0.000 -0.246 26.883) 26.885 14.913 ( 0.000 -14.034 9.558) 16.980 16.236 ( 0.000 -0.156 -15.237) 15.238 16.984 ( 0.000 -7.424 14.633) 16.409 17.318 ( 0.000 -4.670 22.219) 22.705 18.069 ( 0.000 -0.292 7.913) 7.919 18.541 ( 0.000 -0.106 -3.965) 3.967 18.601 ( 0.000 -22.824 -5.473) 23.471 18.733 ( 0.000 -31.803 -2.363) 31.891 22.303 ( -0.000 13.685 10.399) 17.188 23.076 ( -0.000 7.723 -9.704) 12.402 23.762 ( -0.000 21.682 13.570) 25.579 25.755 ( -0.000 32.623 -54.463) 63.487 ======================= Grid point 249 (90/171) ======================= q-point: ( 0.21 0.21 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.556 ( 15.476 -0.000 -6.150) 16.653 3.724 ( 12.879 -0.000 -8.409) 15.381 4.530 ( 16.678 -0.000 -1.375) 16.735 4.668 ( -3.366 0.000 -1.575) 3.716 5.000 ( -0.195 0.000 9.205) 9.207 5.013 ( 4.174 -0.000 -5.144) 6.625 5.369 ( 3.385 -0.000 -1.850) 3.857 5.609 ( -3.121 0.000 2.226) 3.834 6.530 ( 3.309 -0.000 1.475) 3.623 6.739 ( 1.321 -0.000 -2.180) 2.549 7.039 ( 2.710 -0.000 3.021) 4.058 7.587 ( -1.631 0.000 -7.696) 7.867 7.924 ( 23.146 -0.000 11.645) 25.910 8.129 ( 5.207 -0.000 20.652) 21.299 8.165 ( 3.947 -0.000 7.728) 8.677 9.084 ( -13.712 0.000 -1.617) 13.807 9.689 ( 2.825 -0.000 -3.082) 4.181 10.039 ( 8.070 -0.000 -2.147) 8.351 10.264 ( -6.772 0.000 0.647) 6.803 10.298 ( 3.255 -0.000 -2.218) 3.938 10.412 ( 8.023 -0.000 -8.447) 11.650 10.420 ( 13.437 -0.000 -22.980) 26.620 10.610 ( 23.965 -0.000 -1.832) 24.035 10.691 ( 10.966 -0.000 0.396) 10.973 11.735 ( 1.878 -0.000 0.539) 1.954 11.814 ( -10.696 0.000 -0.050) 10.697 12.324 ( -15.226 0.000 12.915) 19.965 12.406 ( -13.458 0.000 10.979) 17.368 12.502 ( 14.917 -0.000 -3.773) 15.387 12.591 ( 14.755 -0.000 -3.756) 15.225 12.807 ( 1.691 -0.000 12.286) 12.402 13.309 ( -7.563 0.000 -16.592) 18.234 13.403 ( 22.188 -0.000 6.926) 23.244 13.832 ( 10.041 -0.000 -6.324) 11.866 13.986 ( -4.465 0.000 13.114) 13.853 14.368 ( 7.239 -0.000 -8.298) 11.012 14.804 ( -0.791 0.000 4.701) 4.767 15.150 ( 7.697 -0.000 -6.362) 9.986 16.372 ( -1.114 0.000 2.697) 2.918 16.654 ( 1.227 -0.000 -3.880) 4.070 19.442 ( -5.524 0.000 11.339) 12.613 20.532 ( -10.043 0.000 -16.300) 19.146 21.857 ( 1.065 -0.000 11.446) 11.495 22.608 ( -6.746 0.000 -10.007) 12.068 23.464 ( 12.298 -0.000 5.966) 13.668 23.530 ( -2.678 0.000 -1.113) 2.900 23.589 ( -3.248 0.000 -1.581) 3.612 23.642 ( 13.724 -0.000 0.977) 13.759 ======================= Grid point 250 (91/171) ======================= q-point: ( 0.29 0.21 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.890 ( 17.965 1.324 -9.903) 20.556 3.948 ( 10.315 -1.569 -10.386) 14.722 4.591 ( -4.598 -0.306 0.639) 4.652 4.681 ( 4.258 8.575 -2.760) 9.964 4.979 ( 0.062 9.860 2.258) 10.116 5.053 ( 0.539 2.022 2.896) 3.573 5.408 ( -1.040 -6.180 0.747) 6.311 5.625 ( -1.656 -18.080 1.081) 18.188 6.474 ( -5.097 11.932 6.763) 14.632 6.791 ( 1.948 -5.613 0.820) 5.998 6.997 ( -11.212 -7.713 1.756) 13.722 7.571 ( -0.296 -1.128 -11.981) 12.037 8.133 ( 8.922 1.263 16.824) 19.086 8.226 ( 0.356 -0.806 14.221) 14.248 8.528 ( 24.316 -3.663 4.378) 24.977 8.914 ( -3.267 -6.429 -1.429) 7.351 9.640 ( -7.028 0.767 -5.195) 8.774 10.052 ( -10.076 8.947 2.124) 13.642 10.149 ( -0.600 -1.430 1.548) 2.192 10.161 ( -8.934 -4.166 0.006) 9.857 10.533 ( -1.633 0.604 -17.163) 17.251 10.619 ( 10.237 5.081 -9.792) 15.050 10.936 ( 7.332 2.137 1.966) 7.886 11.103 ( 25.224 -0.654 -4.492) 25.629 11.472 ( -18.709 10.778 -1.551) 21.647 11.587 ( -12.978 4.602 -10.761) 17.476 12.109 ( -3.660 -1.153 13.440) 13.977 12.229 ( -2.839 -0.210 9.788) 10.194 12.557 ( -3.570 7.076 0.355) 7.934 12.769 ( -6.087 -18.311 -2.559) 19.465 12.909 ( 8.824 -0.241 13.232) 15.906 13.236 ( -1.811 -0.878 -13.397) 13.547 13.677 ( 6.491 1.880 5.930) 8.991 13.922 ( -1.272 1.514 7.229) 7.495 13.969 ( 1.016 -4.975 -2.188) 5.529 14.401 ( -4.808 0.036 -8.200) 9.506 14.756 ( -4.855 0.896 6.504) 8.165 15.263 ( 3.790 2.154 -7.111) 8.340 16.376 ( 0.345 -0.748 2.528) 2.659 16.618 ( -4.573 1.057 -3.175) 5.667 19.297 ( -9.227 0.067 10.914) 14.292 20.302 ( -13.414 -0.070 -13.739) 19.201 21.870 ( 0.655 0.650 9.217) 9.263 22.491 ( -4.206 2.013 -7.043) 8.447 23.383 ( -7.930 1.857 0.262) 8.148 23.522 ( -0.628 0.475 -3.919) 3.997 23.758 ( 13.612 -2.062 6.241) 15.116 24.008 ( 19.947 -2.631 -1.092) 20.150 ======================= Grid point 251 (92/171) ======================= q-point: (-0.64 0.21 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.099 ( 6.798 1.195 -8.244) 10.752 4.173 ( 10.430 7.772 -8.085) 15.315 4.498 ( -3.662 4.275 3.621) 6.693 4.642 ( -0.582 7.292 -5.285) 9.025 4.879 ( -3.057 6.772 -0.300) 7.436 5.001 ( -1.617 6.426 -0.381) 6.637 5.452 ( -0.409 -9.796 5.815) 11.400 5.764 ( -0.528 -19.034 0.496) 19.047 6.185 ( -15.001 7.730 12.319) 20.894 6.748 ( -21.260 -15.869 3.759) 26.795 6.879 ( 3.196 -2.357 0.430) 3.995 7.601 ( 2.210 -2.387 -14.930) 15.280 8.200 ( -1.408 0.393 12.572) 12.657 8.353 ( 14.154 1.573 8.641) 16.658 8.864 ( 1.493 -1.618 -1.072) 2.449 9.060 ( 9.135 -13.121 -0.398) 15.993 9.514 ( -1.085 -2.052 -1.568) 2.801 9.774 ( -11.803 6.592 5.163) 14.471 9.956 ( -22.220 -2.796 0.361) 22.398 10.042 ( -7.519 -4.543 -3.211) 9.354 10.424 ( -5.522 5.009 -3.205) 8.115 10.617 ( -5.154 6.945 -4.674) 9.830 10.860 ( -14.455 20.416 0.785) 25.028 11.049 ( -5.846 9.955 3.598) 12.092 11.307 ( -10.757 4.826 -19.597) 22.870 11.573 ( 21.361 0.342 -9.736) 23.478 12.161 ( -0.677 0.540 5.077) 5.150 12.251 ( -2.118 -1.044 10.661) 10.920 12.344 ( -5.136 -2.730 9.183) 10.870 12.649 ( -20.684 -21.989 -4.226) 30.483 13.102 ( 6.007 2.169 3.881) 7.473 13.201 ( -0.617 -1.596 -8.016) 8.197 13.638 ( -6.460 4.035 5.218) 9.232 13.878 ( -6.901 -1.726 3.297) 7.840 13.934 ( -8.189 -4.607 5.106) 10.694 14.246 ( -6.577 -0.093 -8.688) 10.898 14.607 ( -8.264 0.368 7.234) 10.989 15.240 ( -3.228 4.251 -7.990) 9.609 16.366 ( -2.584 -0.644 1.532) 3.072 16.496 ( -6.251 -0.154 -1.526) 6.436 19.097 ( -12.335 -2.288 10.517) 16.371 20.038 ( -15.256 -3.353 -12.071) 19.741 21.866 ( -0.735 1.375 7.669) 7.826 22.401 ( -4.548 2.339 -5.743) 7.690 23.213 ( -9.051 0.506 1.568) 9.199 23.518 ( 0.295 0.565 -7.218) 7.246 24.027 ( 13.144 0.225 8.467) 15.636 24.418 ( 21.560 0.394 -2.604) 21.720 ======================= Grid point 252 (93/171) ======================= q-point: (-0.57 0.21 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.143 ( -3.860 1.715 0.054) 4.224 4.155 ( 1.619 18.866 -4.608) 19.488 4.351 ( -3.952 18.032 2.100) 18.579 4.587 ( -1.601 4.609 -8.643) 9.925 4.785 ( -5.387 -0.028 -3.664) 6.515 4.930 ( -0.630 5.034 -1.175) 5.207 5.487 ( -5.597 -3.708 7.893) 10.362 5.680 ( -9.571 -0.891 16.651) 19.227 6.082 ( -2.720 -25.338 -0.854) 25.498 6.467 ( -19.153 -16.849 -0.335) 25.512 6.956 ( 2.965 -1.927 2.990) 4.631 7.675 ( 2.261 -0.586 -12.911) 13.120 8.176 ( -2.459 1.155 9.657) 10.032 8.571 ( -21.691 0.956 0.364) 21.715 8.610 ( 10.825 0.202 1.676) 10.955 9.312 ( -4.398 1.553 -5.758) 7.410 9.418 ( -22.222 -10.905 3.512) 25.001 9.548 ( -4.963 -1.413 5.351) 7.433 9.679 ( 1.841 -4.005 -1.488) 4.652 9.892 ( -13.074 0.384 -1.923) 13.220 10.196 ( -14.403 14.238 -1.198) 20.288 10.318 ( -11.928 16.819 -0.377) 20.623 10.467 ( -3.480 7.838 1.654) 8.734 10.899 ( -9.903 6.136 2.234) 11.862 11.106 ( -7.138 8.162 -20.979) 23.615 11.750 ( -18.372 -10.431 -8.190) 22.659 11.919 ( -5.879 3.957 -3.460) 7.886 12.139 ( -5.900 2.292 17.158) 18.288 12.341 ( -26.632 -17.222 -5.234) 32.145 12.548 ( 8.250 -5.715 8.915) 13.424 12.872 ( -14.962 2.548 11.806) 19.228 13.202 ( -18.190 -6.923 -5.717) 20.285 13.545 ( -7.773 2.287 -5.222) 9.640 13.624 ( 7.478 0.189 -6.472) 9.892 13.941 ( 2.783 -0.404 10.307) 10.684 14.213 ( -0.459 -1.243 -3.296) 3.552 14.502 ( -1.021 0.436 7.173) 7.258 15.156 ( 0.188 3.019 -7.560) 8.143 16.272 ( -6.493 1.228 1.952) 6.891 16.423 ( -3.350 -3.743 -1.539) 5.254 18.860 ( -16.108 -6.972 10.487) 20.446 19.767 ( -18.063 -9.293 -10.968) 23.085 21.796 ( -6.202 2.279 5.952) 8.893 22.235 ( -12.215 2.470 -4.901) 13.391 23.022 ( -10.714 -0.108 3.278) 11.205 23.517 ( 0.287 1.457 -10.460) 10.565 24.239 ( 9.853 3.068 11.456) 15.419 24.813 ( 20.862 3.408 -4.417) 21.596 ======================= Grid point 253 (94/171) ======================= q-point: (-0.50 0.21 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.905 ( -7.507 26.091 -1.356) 27.184 4.016 ( -9.255 10.656 -2.606) 14.352 4.090 ( -7.721 16.014 2.965) 18.024 4.463 ( -6.063 14.810 -13.825) 21.148 4.644 ( -5.286 0.769 2.163) 5.763 4.918 ( -2.193 -4.785 -2.232) 5.717 5.309 ( -8.809 -4.980 16.323) 19.205 5.670 ( -2.832 -11.475 12.868) 17.473 6.157 ( -10.993 -20.839 -2.437) 23.687 6.349 ( -4.066 -16.578 -6.861) 18.396 7.004 ( -0.010 -1.011 4.594) 4.704 7.492 ( -20.586 8.737 6.455) 23.276 7.996 ( -13.772 8.393 1.854) 16.235 8.295 ( -10.088 -5.233 -0.306) 11.368 8.684 ( -13.403 1.580 -2.550) 13.735 8.788 ( -27.015 -5.509 -0.532) 27.576 9.117 ( -7.580 9.987 -2.025) 12.701 9.389 ( -19.299 4.685 -0.369) 19.862 9.651 ( -16.967 4.529 3.983) 18.007 9.748 ( 6.053 -8.148 -1.552) 10.268 9.870 ( -10.383 8.553 -5.889) 14.684 10.146 ( -1.651 5.660 -7.836) 9.807 10.412 ( 0.668 8.805 -0.113) 8.831 10.597 ( -17.262 -1.946 -1.675) 17.452 10.809 ( -18.571 6.999 -9.366) 21.945 11.377 ( -24.187 -10.853 -0.748) 26.521 11.473 ( -36.041 7.603 -0.448) 36.837 11.917 ( -19.630 -16.210 -1.081) 25.481 12.027 ( -4.320 2.339 15.339) 16.107 12.677 ( 6.685 0.281 5.011) 8.359 12.729 ( -9.698 -0.340 1.445) 9.811 12.983 ( -0.691 -7.046 0.091) 7.081 13.421 ( -0.673 4.040 -6.010) 7.273 13.900 ( 12.355 0.486 -9.070) 15.334 14.043 ( 6.763 -4.081 4.872) 9.281 14.253 ( 6.526 -5.314 2.292) 8.723 14.569 ( 8.484 4.635 7.691) 12.354 15.263 ( 12.066 0.538 -7.511) 14.223 16.115 ( -9.271 0.312 3.706) 9.989 16.399 ( -2.772 -5.376 -2.872) 6.696 18.580 ( -21.097 -13.683 10.888) 27.401 19.476 ( -22.684 -17.310 -10.045) 30.250 21.548 ( -19.022 2.906 3.425) 19.545 21.862 ( -25.570 1.763 -4.187) 25.970 22.819 ( -9.998 -0.296 5.497) 11.414 23.508 ( 0.481 2.851 -13.922) 14.219 24.350 ( 5.526 6.754 15.573) 17.852 25.163 ( 19.125 5.471 -6.871) 21.045 ======================= Grid point 254 (95/171) ======================= q-point: (-0.43 0.21 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.486 ( -13.969 31.071 0.455) 34.070 3.590 ( -18.392 25.245 -1.291) 31.261 3.899 ( -5.222 8.214 -5.267) 11.067 4.204 ( -8.133 11.744 -12.832) 19.203 4.577 ( -3.643 0.320 3.101) 4.795 4.853 ( -8.758 -5.461 -5.684) 11.783 5.279 ( -2.005 -11.572 16.486) 20.241 5.621 ( -9.891 -5.469 12.740) 17.031 6.067 ( -12.449 -18.904 1.260) 22.670 6.367 ( -8.791 -8.994 -11.974) 17.365 6.879 ( -18.898 -4.294 7.190) 20.671 7.068 ( -15.726 11.901 18.991) 27.379 7.272 ( -30.685 27.519 8.499) 42.084 8.106 ( -24.312 -5.322 6.701) 25.774 8.273 ( -13.450 -15.994 -7.009) 22.041 8.523 ( -15.253 -2.030 -14.696) 21.278 8.899 ( -27.718 2.837 -8.196) 29.043 9.081 ( -8.335 -0.699 -0.375) 8.373 9.187 ( -22.440 1.385 6.235) 23.332 9.487 ( -15.342 16.797 -5.480) 23.400 9.678 ( -20.133 8.675 -2.471) 22.061 10.139 ( -15.356 4.374 -2.355) 16.140 10.228 ( 2.235 0.664 -5.817) 6.267 10.264 ( -9.205 3.143 -7.577) 12.329 10.538 ( -6.688 2.531 4.971) 8.709 10.807 ( -18.994 -5.891 -2.660) 20.063 11.180 ( -4.473 -3.824 4.579) 7.457 11.858 ( 3.152 -3.673 0.805) 4.907 11.995 ( 1.428 -2.559 4.210) 5.130 12.565 ( -2.045 13.205 -2.720) 13.637 12.778 ( 3.979 -5.932 6.564) 9.701 13.119 ( 6.807 -7.853 -2.537) 10.697 13.481 ( 4.289 -6.687 0.890) 7.993 14.022 ( 2.559 0.623 -5.773) 6.345 14.170 ( 4.281 -4.078 3.334) 6.787 14.622 ( 17.324 0.488 -2.763) 17.550 14.765 ( 22.074 -0.565 8.797) 23.769 15.537 ( 14.409 6.214 -6.907) 17.145 15.937 ( -8.012 -4.435 5.819) 10.850 16.411 ( 0.044 -7.868 -4.949) 9.295 18.258 ( -25.526 -21.201 11.591) 35.148 19.149 ( -27.901 -25.627 -9.015) 38.942 20.992 ( -37.080 2.552 1.262) 37.189 21.225 ( -40.175 0.139 -3.940) 40.368 22.665 ( -5.960 0.377 7.174) 9.334 23.488 ( 0.202 4.978 -17.107) 17.818 24.358 ( 2.544 11.180 20.449) 23.444 25.469 ( 17.581 6.517 -10.427) 21.454 ======================= Grid point 255 (96/171) ======================= q-point: (-0.36 0.21 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.919 ( -21.235 31.254 5.133) 38.133 2.997 ( -20.722 30.438 2.300) 36.894 3.739 ( -5.908 9.380 -12.438) 16.661 4.012 ( -4.445 7.983 -20.548) 22.488 4.428 ( -10.793 2.766 -0.480) 11.152 4.699 ( -9.964 -3.718 -6.257) 12.340 5.302 ( -6.077 -4.506 19.487) 20.904 5.446 ( -9.729 -8.993 12.293) 18.074 5.696 ( -36.466 27.821 15.974) 48.569 6.084 ( -16.371 -1.205 0.456) 16.422 6.311 ( -21.963 -7.603 -1.027) 23.264 6.666 ( -19.436 -13.754 4.361) 24.206 7.102 ( 1.700 0.977 5.829) 6.150 7.604 ( -27.747 -6.227 12.361) 31.008 8.154 ( -18.094 5.069 -13.691) 23.250 8.215 ( -8.201 -13.899 -3.059) 16.426 8.409 ( -18.653 0.482 -5.744) 19.523 8.633 ( -26.247 0.453 0.993) 26.270 8.722 ( -25.314 5.291 -1.959) 25.935 9.017 ( -25.473 16.728 -5.146) 30.906 9.380 ( -4.919 -9.444 12.008) 16.049 9.865 ( -3.146 10.824 -3.327) 11.753 10.020 ( -7.685 10.639 1.994) 13.275 10.448 ( 4.671 -6.916 0.064) 8.346 10.491 ( 9.028 6.092 -8.409) 13.759 10.706 ( -2.111 -8.507 -6.301) 10.795 11.265 ( 11.977 3.661 -0.094) 12.524 12.000 ( 13.152 10.571 8.614) 18.945 12.103 ( 7.184 -0.750 -9.370) 11.831 12.510 ( 4.298 1.943 -0.945) 4.810 12.949 ( 5.101 -11.633 5.246) 13.743 13.294 ( 5.165 -7.686 -1.174) 9.334 13.625 ( 1.626 -15.050 -1.758) 15.240 14.002 ( -4.701 -1.082 -9.557) 10.705 14.302 ( 6.475 -3.435 8.536) 11.251 14.759 ( 6.988 9.841 6.767) 13.837 15.388 ( 11.096 2.056 -1.862) 11.438 15.530 ( 14.504 -2.287 3.948) 15.204 16.039 ( 12.243 2.276 0.057) 12.453 16.603 ( 14.878 -11.883 -7.502) 20.465 17.941 ( -24.903 -26.822 11.872) 38.477 18.786 ( -31.602 -30.715 -7.373) 44.682 20.114 ( -52.074 1.282 0.389) 52.091 20.332 ( -52.849 -0.772 -3.942) 53.001 22.575 ( -2.912 1.853 7.526) 8.279 23.435 ( -0.851 8.201 -18.753) 20.485 24.298 ( 1.660 15.300 24.292) 28.756 25.741 ( 15.859 6.716 -15.737) 23.329 ======================= Grid point 256 (97/171) ======================= q-point: (-0.29 0.21 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( -20.270 29.496 13.571) 38.276 2.398 ( -15.785 33.996 8.446) 38.421 3.514 ( -9.543 8.185 -12.668) 17.848 3.848 ( -6.420 11.793 -29.044) 31.997 4.266 ( -1.150 6.953 -2.133) 7.363 4.489 ( -13.883 11.345 -0.846) 17.949 4.646 ( -24.739 40.550 13.626) 49.416 5.196 ( -5.703 -4.909 16.639) 18.261 5.496 ( -3.283 -11.862 6.023) 13.703 5.697 ( -23.828 -8.338 8.679) 26.695 5.997 ( -20.348 -11.764 0.271) 23.505 6.580 ( 0.646 -13.490 -7.014) 15.218 7.141 ( 0.879 -4.505 2.152) 5.069 7.275 ( -11.985 -11.258 17.620) 24.101 7.793 ( -18.435 -0.409 -9.394) 20.694 8.163 ( -8.465 -6.409 2.748) 10.968 8.186 ( -4.262 11.722 0.446) 12.481 8.208 ( -8.174 0.121 4.658) 9.409 8.393 ( -11.414 -6.465 -6.193) 14.506 8.488 ( -15.695 8.357 -0.250) 17.783 9.403 ( -1.360 -8.900 12.138) 15.113 9.735 ( 0.605 21.860 5.567) 22.566 9.840 ( -4.248 5.297 1.424) 6.938 10.576 ( 4.365 -6.402 -2.549) 8.156 10.591 ( 2.975 2.107 -10.111) 10.748 10.827 ( 5.586 -9.616 -4.658) 12.057 11.541 ( 19.686 7.623 -5.763) 21.883 12.186 ( 12.776 9.121 11.822) 19.651 12.297 ( 17.503 6.124 -11.128) 21.626 12.667 ( 5.784 -10.924 -6.415) 13.927 13.048 ( -4.974 -7.544 -0.953) 9.086 13.449 ( 5.168 -8.944 -2.189) 10.559 13.740 ( -3.934 -18.657 -5.563) 19.862 13.869 ( -10.454 -6.961 -10.597) 16.433 14.456 ( 7.119 -1.477 12.523) 14.481 14.780 ( 2.849 9.943 10.572) 14.790 15.086 ( -18.480 1.365 13.746) 23.072 16.083 ( 15.200 3.789 -13.372) 20.596 16.432 ( 35.041 -2.323 6.138) 35.651 17.104 ( 26.013 -5.605 -5.827) 27.240 17.776 ( -9.066 -26.390 9.579) 29.503 18.408 ( -29.018 -28.039 -3.960) 40.545 19.044 ( -57.165 -1.600 -0.190) 57.187 19.264 ( -55.540 0.319 -3.332) 55.641 22.514 ( -1.378 4.162 7.331) 8.542 23.339 ( -1.311 11.597 -17.693) 21.196 24.203 ( 1.264 18.205 24.926) 30.892 25.962 ( 11.400 6.532 -23.594) 27.006 ======================= Grid point 257 (98/171) ======================= q-point: (-0.21 0.21 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( -0.000 28.618 23.222) 36.854 1.972 ( -0.000 35.060 13.762) 37.665 3.351 ( -0.000 6.490 -12.353) 13.954 3.609 ( -0.000 34.389 -6.909) 35.076 3.878 ( -0.000 47.911 -2.696) 47.987 4.304 ( 0.000 -0.346 -4.117) 4.132 4.408 ( 0.000 -1.182 -2.932) 3.161 5.247 ( 0.000 -1.630 1.292) 2.079 5.320 ( 0.000 -12.083 8.236) 14.623 5.693 ( 0.000 -6.183 -2.285) 6.592 5.812 ( 0.000 -14.707 14.881) 20.922 6.732 ( 0.000 -12.405 -7.058) 14.273 7.184 ( 0.000 -4.626 2.877) 5.448 7.335 ( 0.000 -21.565 10.547) 24.006 7.494 ( -0.000 6.081 -4.652) 7.657 8.044 ( -0.000 13.557 12.826) 18.663 8.089 ( -0.000 0.846 3.733) 3.828 8.202 ( 0.000 -7.925 8.248) 11.438 8.320 ( -0.000 1.740 -2.076) 2.709 8.340 ( 0.000 -5.268 -9.028) 10.453 9.425 ( -0.000 2.696 9.821) 10.184 9.582 ( -0.000 17.330 11.518) 20.809 9.778 ( -0.000 1.499 1.197) 1.918 10.602 ( 0.000 -0.677 -11.481) 11.501 10.693 ( 0.000 -8.611 -2.139) 8.873 10.962 ( 0.000 -9.950 -1.538) 10.068 11.754 ( -0.000 4.643 -7.476) 8.800 12.283 ( -0.000 1.815 11.533) 11.675 12.724 ( -0.000 0.400 6.319) 6.332 12.756 ( -0.000 6.752 -24.283) 25.204 12.820 ( 0.000 -12.601 -10.163) 16.188 13.629 ( -0.000 0.077 -21.980) 21.980 13.647 ( 0.000 -12.089 2.638) 12.373 13.911 ( 0.000 -24.304 -2.827) 24.468 14.525 ( -0.000 5.196 9.019) 10.408 14.771 ( 0.000 -0.308 26.882) 26.884 14.844 ( -0.000 2.900 12.754) 13.080 16.234 ( 0.000 -0.195 -15.288) 15.290 16.907 ( 0.000 -5.030 7.602) 9.115 17.374 ( -0.000 9.354 6.382) 11.324 18.064 ( 0.000 -0.363 7.975) 7.983 18.250 ( 0.000 -25.067 -1.556) 25.115 18.296 ( 0.000 -25.923 -6.349) 26.689 18.539 ( 0.000 -0.132 -3.989) 3.991 22.458 ( -0.000 7.243 7.462) 10.399 23.232 ( -0.000 12.607 -15.025) 19.613 24.075 ( -0.000 20.193 22.488) 30.224 26.030 ( -0.000 9.127 -32.816) 34.062 ======================= Grid point 264 (99/171) ======================= q-point: ( 0.29 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.100 ( 6.021 -0.000 -7.524) 9.636 4.240 ( 15.730 -0.000 -12.616) 20.164 4.499 ( -3.729 0.000 2.619) 4.557 4.749 ( -0.246 0.000 -3.071) 3.081 4.938 ( -5.799 0.000 2.699) 6.396 5.086 ( -1.268 0.000 2.504) 2.807 5.369 ( 0.006 -0.000 3.118) 3.118 5.540 ( 1.615 -0.000 0.490) 1.688 6.359 ( -13.438 0.000 7.345) 15.314 6.519 ( -24.583 0.000 11.453) 27.120 6.880 ( 1.868 -0.000 -2.232) 2.911 7.581 ( 2.352 -0.000 -16.398) 16.566 8.203 ( -1.754 0.000 12.206) 12.332 8.367 ( 14.042 -0.000 8.189) 16.256 8.850 ( 4.789 -0.000 -1.536) 5.029 8.956 ( 9.590 -0.000 1.345) 9.684 9.498 ( -2.932 0.000 -2.618) 3.931 9.839 ( -14.439 0.000 6.925) 16.014 9.928 ( -23.335 0.000 -1.660) 23.394 10.002 ( -6.506 0.000 -2.157) 6.854 10.469 ( -2.617 0.000 -2.369) 3.530 10.666 ( -7.738 0.000 -3.356) 8.434 11.006 ( -1.572 0.000 1.638) 2.270 11.164 ( -14.470 0.000 0.560) 14.480 11.334 ( -12.184 0.000 -16.475) 20.491 11.568 ( 20.847 -0.000 -9.742) 23.011 12.212 ( 10.746 -0.000 9.154) 14.116 12.234 ( 0.447 -0.000 8.568) 8.579 12.322 ( -25.906 0.000 3.520) 26.144 12.432 ( -14.921 0.000 -3.203) 15.261 13.126 ( 11.528 -0.000 5.543) 12.791 13.183 ( -5.676 0.000 -11.286) 12.633 13.676 ( -6.062 0.000 5.137) 7.946 13.850 ( -15.039 0.000 0.602) 15.051 13.907 ( 0.232 -0.000 9.035) 9.038 14.245 ( -6.805 0.000 -8.552) 10.929 14.611 ( -8.797 0.000 7.726) 11.708 15.273 ( -3.452 0.000 -8.061) 8.769 16.360 ( -1.838 0.000 1.572) 2.418 16.496 ( -7.509 0.000 -1.610) 7.680 19.080 ( -13.297 0.000 10.462) 16.920 20.013 ( -16.455 0.000 -11.903) 20.309 21.877 ( -0.618 0.000 7.665) 7.690 22.419 ( -4.792 0.000 -5.882) 7.587 23.217 ( -9.450 0.000 1.565) 9.579 23.522 ( 0.401 -0.000 -7.259) 7.270 24.028 ( 14.039 -0.000 8.539) 16.432 24.420 ( 22.679 -0.000 -2.595) 22.827 ======================= Grid point 265 (100/171) ======================= q-point: (-0.64 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.143 ( -1.909 -0.107 2.904) 3.476 4.390 ( 3.786 11.740 -8.598) 15.036 4.515 ( 3.590 -2.754 -5.082) 6.805 4.672 ( -3.491 11.188 -2.804) 12.050 4.805 ( -6.814 1.442 1.694) 7.168 5.006 ( -3.827 4.363 0.357) 5.815 5.401 ( 0.714 -4.448 5.523) 7.128 5.678 ( 4.889 -13.392 -0.621) 14.269 5.880 ( -23.915 12.863 12.988) 30.101 6.178 ( -21.094 -21.175 4.441) 30.217 6.942 ( 3.670 -0.326 0.510) 3.720 7.660 ( 4.606 -0.861 -16.959) 17.595 8.183 ( -0.524 0.113 8.376) 8.394 8.556 ( -21.959 -1.131 -3.779) 22.311 8.645 ( 5.931 2.368 6.245) 8.932 9.222 ( 13.377 -6.735 1.790) 15.083 9.342 ( -34.155 -1.071 0.500) 34.175 9.583 ( -9.917 1.070 3.528) 10.580 9.633 ( 9.806 -0.622 -0.908) 9.867 9.878 ( -8.617 -1.027 -2.935) 9.161 10.369 ( -8.928 8.063 3.892) 12.644 10.436 ( -12.724 0.037 4.107) 13.370 10.700 ( -15.108 17.496 0.684) 23.126 11.007 ( -8.403 6.422 -1.099) 10.633 11.145 ( -10.754 -2.362 -20.179) 22.987 11.568 ( -27.246 -10.779 -6.019) 29.912 11.980 ( -13.841 4.224 -6.447) 15.843 12.123 ( -7.375 -10.264 -4.536) 13.428 12.193 ( -4.572 3.282 11.161) 12.500 12.476 ( 9.013 -3.425 9.171) 13.306 12.937 ( -16.499 5.411 3.311) 17.676 13.087 ( -24.215 -7.418 4.219) 25.675 13.577 ( -2.222 1.422 -5.280) 5.903 13.625 ( 6.610 -0.066 -6.061) 8.969 13.942 ( 2.976 0.249 9.108) 9.585 14.193 ( -2.471 -1.017 -2.529) 3.679 14.511 ( 0.797 0.451 7.442) 7.498 15.189 ( -2.131 1.246 -7.491) 7.888 16.300 ( -4.485 2.152 0.918) 5.059 16.369 ( -5.895 -3.085 -0.693) 6.689 18.789 ( -18.173 -2.499 10.357) 21.066 19.673 ( -20.383 -3.263 -10.490) 23.155 21.820 ( -5.934 0.923 5.809) 8.355 22.263 ( -12.438 1.086 -5.022) 13.457 23.022 ( -10.934 -0.003 3.388) 11.447 23.531 ( 0.601 0.471 -10.746) 10.773 24.268 ( 10.952 0.955 11.597) 15.980 24.844 ( 21.426 0.955 -4.377) 21.889 ======================= Grid point 266 (101/171) ======================= q-point: (-0.57 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.058 ( -5.078 2.509 5.831) 8.129 4.277 ( -4.543 19.179 -6.140) 20.644 4.408 ( -7.522 21.833 -1.507) 23.141 4.590 ( -2.274 1.309 -12.340) 12.616 4.663 ( -6.266 1.493 2.391) 6.871 4.891 ( -6.021 0.758 -1.054) 6.159 5.313 ( -13.118 5.989 13.620) 19.836 5.513 ( -4.243 -8.117 11.273) 14.525 5.848 ( -7.143 -18.997 1.593) 20.358 6.053 ( -4.735 -22.284 -4.253) 23.175 6.994 ( 0.242 -0.269 0.881) 0.952 7.630 ( -14.100 9.031 -2.945) 17.001 7.974 ( -19.587 -6.906 -4.629) 21.279 8.218 ( -4.376 -4.475 4.327) 7.609 8.664 ( -33.342 -3.177 6.757) 34.168 8.785 ( -0.515 2.062 0.004) 2.125 9.330 ( -12.497 12.857 -1.650) 18.006 9.476 ( -22.137 9.620 -2.329) 24.249 9.588 ( 12.041 -9.691 0.729) 15.473 9.697 ( -16.846 1.190 4.833) 17.566 10.020 ( -8.446 10.335 -3.886) 13.901 10.266 ( -4.897 7.091 -1.698) 8.783 10.430 ( -4.636 0.030 6.089) 7.653 10.690 ( -17.408 9.390 -3.866) 20.153 10.822 ( -24.430 -7.593 -12.341) 28.403 11.217 ( -19.643 -7.177 -9.038) 22.782 11.542 ( -29.301 -5.763 -5.580) 30.379 11.712 ( -32.073 -2.162 -5.364) 32.591 12.116 ( 0.560 7.304 17.867) 19.310 12.548 ( -5.646 -9.798 3.252) 11.767 12.795 ( 3.987 2.994 6.996) 8.591 12.889 ( 3.813 -5.425 2.955) 7.259 13.543 ( 1.585 10.380 -7.241) 12.755 13.895 ( 14.872 -1.703 -12.091) 19.242 13.999 ( 2.682 -0.854 7.763) 8.257 14.162 ( 1.510 -6.650 2.198) 7.165 14.633 ( 11.223 3.531 7.481) 13.943 15.260 ( 10.789 -0.645 -6.685) 12.709 16.145 ( -9.046 3.566 2.000) 9.927 16.316 ( -3.840 -5.789 -1.840) 7.186 18.419 ( -24.307 -7.752 10.733) 27.679 19.277 ( -25.839 -9.409 -9.221) 29.004 21.586 ( -18.909 1.983 3.010) 19.249 21.890 ( -25.999 1.626 -4.247) 26.394 22.815 ( -9.916 -0.180 5.838) 11.509 23.539 ( 0.994 1.364 -14.348) 14.447 24.424 ( 6.951 3.314 15.497) 17.305 25.217 ( 18.775 2.195 -6.476) 19.981 ======================= Grid point 267 (102/171) ======================= q-point: (-0.50 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.890 ( -10.005 16.854 -2.064) 19.708 3.940 ( -13.003 24.111 -3.775) 27.653 4.060 ( -9.420 16.463 0.962) 18.992 4.371 ( -11.086 9.277 -13.767) 19.962 4.600 ( -2.480 2.693 1.070) 3.814 4.773 ( -8.541 -4.674 -2.519) 10.056 5.142 ( -4.330 -6.182 17.511) 19.068 5.499 ( -7.400 -10.398 9.476) 15.896 5.781 ( -11.097 -18.622 2.821) 21.860 6.159 ( -5.750 -17.587 -10.256) 21.156 6.820 ( -22.252 -1.036 3.260) 22.513 7.197 ( -10.093 6.547 16.119) 20.113 7.687 ( -26.211 14.948 -5.336) 30.642 8.015 ( -31.605 -7.081 10.740) 34.123 8.094 ( -12.118 -1.201 1.565) 12.277 8.534 ( -15.256 5.538 -11.269) 19.759 8.912 ( -28.087 -0.328 -4.657) 28.472 9.101 ( -9.745 3.638 2.831) 10.781 9.219 ( -23.399 2.321 10.089) 25.587 9.670 ( -22.614 8.049 -1.993) 24.086 9.824 ( -5.026 7.636 -4.159) 10.043 10.169 ( -7.077 2.737 -2.319) 7.934 10.238 ( -20.895 -3.933 -0.440) 21.267 10.265 ( -7.655 3.074 -16.773) 18.692 10.554 ( -2.797 -3.660 -3.035) 5.516 10.773 ( -23.372 -1.616 -0.367) 23.431 11.129 ( 0.205 0.801 3.644) 3.736 11.620 ( 0.932 -20.589 -8.913) 22.455 12.104 ( 5.697 11.746 11.909) 17.670 12.522 ( -1.793 -10.999 1.270) 11.216 12.922 ( 7.417 14.330 1.660) 16.221 13.023 ( 6.937 -5.164 -1.252) 8.738 13.472 ( -0.711 6.306 3.448) 7.222 14.032 ( 1.001 -0.350 -5.257) 5.363 14.088 ( 4.276 -6.489 4.434) 8.947 14.540 ( 27.034 -7.790 -6.501) 28.875 14.837 ( 14.912 6.673 9.736) 19.018 15.595 ( 21.912 1.347 -7.675) 23.256 15.909 ( -12.553 0.892 5.017) 13.548 16.304 ( -1.597 -6.542 -4.100) 7.884 17.985 ( -29.155 -15.254 11.644) 34.904 18.833 ( -30.265 -17.045 -7.895) 35.620 21.032 ( -37.254 2.577 0.612) 37.348 21.241 ( -40.307 1.532 -3.930) 40.527 22.667 ( -5.467 0.067 7.740) 9.476 23.546 ( 1.130 2.837 -17.638) 17.901 24.490 ( 4.024 6.735 20.015) 21.498 25.534 ( 16.290 2.701 -9.098) 18.853 ======================= Grid point 268 (103/171) ======================= q-point: (-0.43 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.359 ( -23.517 27.921 2.181) 36.571 3.443 ( -17.402 29.327 -1.420) 34.130 3.871 ( -6.306 8.210 -5.205) 11.587 4.149 ( -3.611 9.989 -18.898) 21.679 4.469 ( -9.192 3.128 -2.491) 10.024 4.628 ( -9.997 -5.241 -5.224) 12.438 5.178 ( 0.469 -10.556 16.715) 19.775 5.336 ( -15.329 -6.337 11.388) 20.120 5.684 ( -14.542 -14.304 9.860) 22.656 6.007 ( -18.292 -12.281 -9.150) 23.857 6.434 ( -19.264 -10.737 5.373) 22.699 6.732 ( -34.934 43.677 6.556) 56.312 7.109 ( -2.897 0.117 8.422) 8.907 7.518 ( -26.789 -6.385 14.632) 31.186 7.989 ( -8.537 -13.831 -8.599) 18.388 8.191 ( -20.314 0.699 -12.279) 23.746 8.387 ( -20.293 -2.607 4.426) 20.933 8.683 ( -21.072 6.497 -0.214) 22.052 8.843 ( -28.357 7.898 1.856) 29.495 9.240 ( -6.914 -3.067 9.285) 11.976 9.278 ( -28.466 12.022 -2.193) 30.978 9.914 ( -10.587 -0.492 -8.367) 13.503 10.178 ( 4.015 4.770 -2.987) 6.913 10.389 ( 8.410 -0.850 -3.657) 9.210 10.523 ( -1.524 -1.382 0.479) 2.112 10.610 ( 0.242 -4.379 -6.763) 8.060 11.293 ( 14.450 1.490 -0.283) 14.529 11.891 ( 9.874 -20.426 -12.118) 25.721 12.165 ( 9.251 10.687 8.287) 16.385 12.610 ( 3.234 -1.995 -4.423) 5.832 12.875 ( 2.062 10.195 8.688) 13.552 13.201 ( 6.193 -5.078 -0.926) 8.062 13.463 ( -1.446 -7.478 1.751) 7.815 13.992 ( -5.861 -0.789 -9.215) 10.950 14.245 ( 7.565 -4.357 8.347) 12.078 14.882 ( 8.232 6.272 1.633) 10.477 15.388 ( 38.904 -0.874 -0.933) 38.925 15.537 ( -13.822 2.928 7.556) 16.023 16.095 ( 18.957 4.627 -4.136) 19.947 16.442 ( 16.035 -9.991 -7.285) 20.249 17.571 ( -27.133 -22.805 12.664) 37.638 18.392 ( -30.158 -22.489 -6.123) 38.115 20.145 ( -52.424 2.508 -0.158) 52.484 20.344 ( -51.487 1.682 -4.088) 51.676 22.593 ( -2.345 0.776 8.218) 8.581 23.534 ( 0.574 5.211 -20.016) 20.691 24.488 ( 2.561 10.477 24.264) 26.553 25.803 ( 13.625 2.234 -12.513) 18.634 ======================= Grid point 269 (104/171) ======================= q-point: (-0.36 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.691 ( -22.066 27.072 11.116) 36.652 2.899 ( -13.608 33.547 2.375) 36.279 3.634 ( -10.855 7.903 -6.808) 15.054 4.024 ( -3.216 12.348 -27.779) 30.569 4.310 ( -2.241 2.159 -5.431) 6.259 4.471 ( -9.313 -3.882 -7.212) 12.402 5.093 ( -10.892 -3.873 16.423) 20.083 5.278 ( -9.494 2.572 13.730) 16.889 5.349 ( -6.868 0.812 14.986) 16.505 5.728 ( -16.975 7.985 -1.153) 18.795 5.876 ( -24.868 13.776 2.493) 28.538 6.317 ( -3.787 -19.582 -6.908) 21.108 7.101 ( -1.374 -2.184 6.253) 6.765 7.135 ( -14.554 -7.134 19.762) 25.559 7.805 ( -17.045 1.495 -9.917) 19.777 7.955 ( -6.637 -17.194 -3.256) 18.716 8.187 ( -7.465 -4.140 6.594) 10.786 8.322 ( -11.726 4.801 -0.229) 12.673 8.387 ( -8.269 4.784 2.198) 9.803 8.689 ( -18.102 18.290 -3.847) 26.020 9.259 ( -0.967 -9.972 12.379) 15.925 9.791 ( -4.183 -1.562 -5.119) 6.792 10.136 ( 1.744 20.699 5.742) 21.551 10.487 ( 3.302 -5.167 -2.121) 6.488 10.617 ( 1.779 0.958 -7.571) 7.836 10.683 ( 4.367 -10.409 -5.719) 12.655 11.596 ( 15.987 0.206 -5.608) 16.943 12.229 ( 9.848 -12.423 -14.226) 21.300 12.296 ( 10.439 2.386 4.921) 11.785 12.643 ( 5.174 7.971 -0.220) 9.505 12.910 ( -1.773 -9.926 3.467) 10.663 13.337 ( 4.462 -5.804 -0.660) 7.351 13.497 ( -2.259 -11.667 -1.554) 11.985 13.819 ( -12.471 -1.809 -15.070) 19.644 14.439 ( 10.717 -1.045 13.139) 16.988 14.924 ( 2.134 9.192 6.437) 11.423 15.120 ( -19.378 2.992 13.730) 23.937 16.118 ( 16.536 1.478 -14.332) 21.932 16.422 ( 31.162 0.646 4.925) 31.556 17.060 ( 37.040 -0.855 -7.332) 37.768 17.387 ( -5.136 -25.877 10.506) 28.397 18.042 ( -22.232 -21.772 -3.308) 31.292 19.043 ( -59.306 1.002 0.394) 59.316 19.290 ( -54.642 2.593 -4.122) 54.859 22.555 ( -0.903 1.753 7.950) 8.191 23.488 ( -0.111 8.397 -20.714) 22.352 24.438 ( 1.508 13.654 26.845) 30.155 26.011 ( 8.887 1.108 -16.872) 19.101 ======================= Grid point 270 (105/171) ======================= q-point: (-0.29 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( -0.000 27.418 18.535) 33.095 2.498 ( -0.000 36.032 5.927) 36.516 3.452 ( -0.000 7.015 -7.183) 10.040 3.883 ( -0.000 14.179 -30.361) 33.509 4.296 ( 0.000 -0.747 -4.634) 4.694 4.390 ( 0.000 -1.148 -7.918) 8.001 4.758 ( -0.000 53.630 16.271) 56.044 5.133 ( 0.000 -13.088 10.215) 16.603 5.309 ( -0.000 15.178 7.016) 16.721 5.586 ( 0.000 -15.537 14.401) 21.184 5.595 ( 0.000 -7.069 -3.467) 7.873 6.466 ( 0.000 -22.473 -9.684) 24.471 7.075 ( 0.000 -13.034 21.391) 25.049 7.118 ( 0.000 -4.213 4.871) 6.440 7.579 ( -0.000 5.370 -6.764) 8.636 8.012 ( 0.000 -16.198 -3.606) 16.595 8.103 ( -0.000 1.040 4.605) 4.721 8.253 ( 0.000 -5.834 4.895) 7.615 8.331 ( -0.000 22.219 0.472) 22.224 8.344 ( -0.000 1.399 -1.924) 2.378 9.323 ( 0.000 -9.631 11.868) 15.284 9.758 ( 0.000 -0.158 -3.219) 3.223 9.981 ( -0.000 25.050 10.133) 27.022 10.573 ( 0.000 -6.643 -4.063) 7.787 10.616 ( -0.000 1.200 -7.997) 8.086 10.814 ( 0.000 -10.558 -4.090) 11.322 11.788 ( 0.000 -0.707 -6.852) 6.888 12.324 ( -0.000 4.072 5.314) 6.695 12.550 ( 0.000 -20.443 -16.362) 26.185 12.730 ( -0.000 0.401 6.281) 6.293 12.850 ( -0.000 1.345 -10.348) 10.435 13.460 ( 0.000 -11.509 1.460) 11.602 13.594 ( 0.000 -16.070 0.787) 16.089 13.630 ( -0.000 0.076 -21.908) 21.908 14.616 ( -0.000 6.391 7.645) 9.965 14.766 ( 0.000 -0.308 26.880) 26.882 14.929 ( -0.000 7.446 9.057) 11.725 16.231 ( 0.000 -0.194 -15.346) 15.347 16.813 ( 0.000 -7.818 8.543) 11.580 17.533 ( -0.000 10.882 -3.421) 11.407 17.892 ( 0.000 -22.143 -5.472) 22.809 17.983 ( 0.000 -17.052 -1.168) 17.092 18.059 ( 0.000 -0.363 8.044) 8.052 18.537 ( 0.000 -0.132 -4.016) 4.018 22.529 ( -0.000 2.992 7.523) 8.096 23.413 ( -0.000 11.109 -19.630) 22.556 24.343 ( -0.000 16.150 26.928) 31.400 26.096 ( -0.000 1.292 -21.482) 21.520 ======================= Grid point 279 (106/171) ======================= q-point: (-0.64 0.36 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.076 ( -3.996 0.000 8.577) 9.462 4.457 ( -4.515 0.000 -9.974) 10.949 4.538 ( 0.976 -0.000 -8.291) 8.348 4.625 ( -8.500 0.000 -4.191) 9.477 4.666 ( -6.065 0.000 3.636) 7.072 4.901 ( -8.178 0.000 0.279) 8.183 5.395 ( -0.934 0.000 6.748) 6.812 5.454 ( -22.489 0.000 13.470) 26.214 5.751 ( -13.056 0.000 3.369) 13.484 5.776 ( 7.095 -0.000 -2.584) 7.551 6.993 ( 0.615 -0.000 -0.239) 0.660 7.716 ( -0.094 0.000 -17.234) 17.235 7.898 ( -37.772 0.000 6.797) 38.378 8.183 ( -0.651 0.000 3.897) 3.951 8.639 ( -35.274 0.000 7.626) 36.089 8.801 ( 3.378 -0.000 0.570) 3.425 9.414 ( -9.965 0.000 0.392) 9.973 9.498 ( 15.496 -0.000 -1.731) 15.592 9.605 ( -23.130 0.000 -0.423) 23.133 9.689 ( -13.186 0.000 3.777) 13.716 10.151 ( -6.326 0.000 -1.828) 6.585 10.268 ( -10.793 0.000 2.986) 11.198 10.512 ( -11.531 0.000 6.211) 13.098 10.640 ( -28.940 0.000 -4.297) 29.258 10.801 ( -15.510 0.000 -5.671) 16.515 11.173 ( -12.878 0.000 -22.134) 25.607 11.444 ( -28.754 0.000 -4.330) 29.078 11.748 ( -38.628 0.000 -8.467) 39.545 12.185 ( 4.296 -0.000 16.423) 16.975 12.459 ( -9.165 0.000 5.812) 10.853 12.821 ( 7.829 -0.000 8.922) 11.870 12.838 ( 3.924 -0.000 3.486) 5.249 13.642 ( 7.276 -0.000 -8.035) 10.840 13.867 ( 11.575 -0.000 -11.384) 16.235 14.011 ( 3.621 -0.000 7.026) 7.904 14.093 ( -2.122 0.000 2.070) 2.965 14.660 ( 12.197 -0.000 7.597) 14.370 15.254 ( 9.864 -0.000 -6.208) 11.655 16.195 ( -10.086 0.000 0.474) 10.097 16.250 ( -2.815 0.000 -0.699) 2.900 18.361 ( -25.506 0.000 10.680) 27.652 19.207 ( -26.959 0.000 -8.981) 28.416 21.601 ( -18.865 0.000 2.909) 19.088 21.903 ( -26.152 0.000 -4.268) 26.498 22.814 ( -9.910 0.000 5.952) 11.560 23.549 ( 1.154 -0.000 -14.467) 14.513 24.448 ( 7.448 -0.000 15.422) 17.127 25.232 ( 18.644 -0.000 -6.326) 19.688 ======================= Grid point 281 (107/171) ======================= q-point: (-0.57 0.36 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.005 ( -2.583 3.022 4.591) 6.073 4.240 ( -12.310 13.334 -7.185) 19.518 4.313 ( -17.416 12.485 -3.705) 21.746 4.441 ( -10.115 0.218 -9.246) 13.706 4.630 ( -1.190 0.667 -2.188) 2.578 4.728 ( -9.739 -1.544 -1.066) 9.918 5.117 ( -9.245 1.945 16.786) 19.262 5.356 ( -6.978 -7.319 7.762) 12.747 5.575 ( -8.766 -7.313 3.381) 11.906 5.915 ( -1.145 -12.094 -6.299) 13.684 6.831 ( -22.800 1.263 -2.087) 22.930 7.277 ( -16.702 3.959 16.480) 23.795 7.651 ( -11.355 -7.481 -15.532) 20.643 7.956 ( -29.026 -1.797 10.130) 30.795 8.172 ( -9.523 3.966 4.455) 11.237 8.664 ( -19.798 6.645 -6.030) 21.736 8.963 ( -32.360 7.969 1.252) 33.351 9.131 ( -16.353 -1.033 7.853) 18.170 9.247 ( -24.148 1.242 9.473) 25.969 9.713 ( -7.053 -0.614 -5.142) 8.750 9.921 ( -12.080 6.598 1.675) 13.866 10.117 ( -14.975 -9.535 -4.904) 18.418 10.224 ( -15.196 2.809 -2.784) 15.702 10.333 ( -13.346 3.224 -8.847) 16.333 10.477 ( -6.059 -4.845 -2.544) 8.165 10.741 ( -20.706 0.128 -12.624) 24.251 11.176 ( 2.000 0.754 -0.254) 2.152 11.386 ( -0.215 -7.595 -4.928) 9.056 12.264 ( 3.942 8.699 7.166) 11.940 12.377 ( 1.500 -7.840 4.351) 9.091 12.968 ( 7.231 -2.127 2.583) 7.968 13.040 ( 11.915 2.642 1.510) 12.298 13.659 ( -6.453 16.429 2.054) 17.770 13.909 ( 1.623 -13.555 -1.258) 13.709 14.067 ( 2.927 0.725 3.042) 4.283 14.448 ( 29.285 -3.692 -9.138) 30.899 14.913 ( 15.262 2.923 9.267) 18.092 15.592 ( 25.034 -0.737 -6.823) 25.958 15.944 ( -15.003 2.346 2.840) 15.449 16.227 ( -1.017 -3.338 -3.212) 4.743 17.828 ( -31.426 -5.621 11.712) 34.005 18.661 ( -31.483 -6.014 -7.512) 32.921 21.060 ( -37.376 1.031 0.396) 37.393 21.259 ( -40.428 0.737 -3.918) 40.624 22.668 ( -5.240 -0.002 8.055) 9.610 23.573 ( 1.529 0.896 -17.770) 17.858 24.556 ( 4.816 2.247 19.549) 20.258 25.557 ( 15.604 0.700 -8.407) 17.739 ======================= Grid point 282 (108/171) ======================= q-point: (-0.50 0.36 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.712 ( -25.978 18.970 0.814) 32.178 3.823 ( -15.510 20.627 -3.874) 26.097 3.970 ( -7.719 4.967 -1.455) 9.294 4.272 ( -3.168 5.552 -15.175) 16.466 4.522 ( -8.600 3.303 -6.160) 11.082 4.563 ( -9.332 -2.880 -4.060) 10.576 5.055 ( -0.109 -5.129 17.808) 18.532 5.220 ( -13.655 -8.730 7.997) 18.073 5.484 ( -8.841 -10.744 6.561) 15.384 5.821 ( -16.917 -12.154 -10.894) 23.507 6.308 ( -25.779 -4.559 9.879) 27.982 7.103 ( -4.731 0.382 10.961) 11.944 7.302 ( -28.184 25.330 -9.941) 39.176 7.397 ( -22.479 -9.142 14.596) 28.319 7.909 ( -11.217 5.150 -1.220) 12.403 8.178 ( -23.801 -2.914 -7.237) 25.047 8.385 ( -20.896 3.925 8.106) 22.755 8.773 ( -21.098 4.656 0.906) 21.624 8.912 ( -20.744 0.260 7.032) 21.905 9.141 ( -23.923 -5.403 11.062) 26.905 9.514 ( -22.506 15.262 -4.639) 27.586 9.870 ( -11.505 -5.639 -3.682) 13.331 10.187 ( 5.396 -0.729 -8.627) 10.202 10.304 ( 4.093 -10.972 -6.125) 13.215 10.532 ( -0.271 1.792 -6.922) 7.155 10.564 ( 1.898 -1.216 -6.119) 6.521 11.348 ( 14.581 5.795 1.515) 15.764 11.606 ( 11.367 -16.073 -7.711) 21.143 12.289 ( 4.513 2.946 4.364) 6.934 12.521 ( 7.373 -2.429 -0.994) 7.826 13.090 ( 2.337 7.163 1.316) 7.649 13.167 ( 4.269 4.868 2.648) 6.995 13.393 ( -7.787 -1.955 4.065) 8.999 13.967 ( -5.187 -2.787 -7.750) 9.733 14.185 ( 9.340 -3.233 8.073) 12.762 14.934 ( 12.588 1.145 -4.254) 13.337 15.396 ( 42.697 1.776 3.233) 42.856 15.586 ( -19.370 2.947 6.705) 20.709 16.162 ( 23.567 4.318 -5.893) 24.673 16.314 ( 17.244 -7.296 -6.735) 19.898 17.296 ( -29.606 -13.725 13.536) 35.329 18.135 ( -29.137 -12.189 -5.856) 32.122 20.178 ( -52.773 1.697 -0.303) 52.801 20.369 ( -50.970 1.409 -4.134) 51.157 22.601 ( -2.076 0.286 8.764) 9.011 23.589 ( 1.263 2.363 -20.279) 20.456 24.604 ( 3.218 5.328 23.427) 24.240 25.820 ( 12.300 0.505 -10.706) 16.315 ======================= Grid point 283 (109/171) ======================= q-point: (-0.43 0.36 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.047 ( -24.179 20.648 9.835) 33.282 3.359 ( -12.116 27.924 -2.527) 30.544 3.737 ( -11.998 5.678 -2.243) 13.461 4.202 ( -1.371 10.971 -24.026) 26.448 4.340 ( -4.932 2.004 -8.156) 9.739 4.415 ( -7.263 -3.278 -7.868) 11.199 4.993 ( -12.546 -7.926 11.122) 18.545 5.162 ( 5.040 -7.729 15.167) 17.753 5.326 ( -13.686 -4.623 14.029) 20.137 5.617 ( -12.174 -10.173 -5.445) 16.774 5.972 ( -15.962 -17.188 0.147) 23.457 6.568 ( -16.502 45.426 -6.819) 48.809 7.038 ( -6.987 -3.991 13.742) 15.925 7.088 ( -9.678 -1.850 16.061) 18.843 7.724 ( -9.485 -12.148 -2.102) 15.555 7.823 ( -14.568 0.525 -9.656) 17.485 8.132 ( -5.387 -1.607 12.543) 13.745 8.386 ( -19.841 4.609 5.678) 21.146 8.449 ( -9.252 3.136 -0.289) 9.774 8.923 ( -13.728 5.367 3.023) 15.047 9.160 ( -2.739 2.494 5.272) 6.443 9.759 ( -3.913 -2.946 -4.726) 6.806 10.298 ( 4.096 -1.386 -4.450) 6.205 10.442 ( -1.642 -7.171 -1.592) 7.527 10.517 ( 4.968 -1.447 -4.733) 7.013 10.642 ( 2.785 0.774 -8.704) 9.171 11.589 ( 12.121 0.526 -2.244) 12.338 11.969 ( 11.893 -16.525 -11.983) 23.624 12.378 ( 5.956 2.847 3.119) 7.302 12.668 ( 4.963 -3.750 -3.066) 6.935 12.878 ( -9.757 5.444 7.653) 13.542 13.273 ( 4.909 -3.270 0.529) 5.922 13.400 ( 1.635 -2.370 -0.820) 2.994 13.798 ( -12.268 -1.160 -16.045) 20.231 14.424 ( 13.796 -1.019 13.488) 19.321 15.039 ( 2.789 6.162 2.167) 7.102 15.165 ( -20.598 2.772 12.502) 24.254 16.138 ( 16.157 1.353 -14.283) 21.608 16.448 ( 28.502 3.199 5.323) 29.170 17.029 ( 2.796 -21.439 9.805) 23.740 17.070 ( 40.328 0.954 -5.871) 40.765 17.772 ( -17.855 -14.747 -3.426) 23.410 19.062 ( -60.925 1.325 0.728) 60.943 19.328 ( -54.549 2.344 -4.513) 54.786 22.572 ( -0.714 0.736 8.731) 8.791 23.582 ( 0.580 4.480 -21.693) 22.159 24.601 ( 1.770 8.503 26.329) 27.725 26.013 ( 7.423 -0.487 -13.235) 15.183 ======================= Grid point 284 (110/171) ======================= q-point: (-0.36 0.36 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.628 ( -0.000 23.175 15.605) 27.939 3.010 ( -0.000 32.759 -0.107) 32.759 3.550 ( -0.000 6.020 -2.790) 6.635 4.084 ( -0.000 13.273 -28.835) 31.743 4.282 ( 0.000 -1.007 -4.219) 4.337 4.373 ( 0.000 -1.325 -12.207) 12.279 4.947 ( 0.000 -11.693 11.472) 16.381 5.127 ( -0.000 7.100 21.326) 22.477 5.363 ( 0.000 -13.433 13.431) 18.996 5.492 ( 0.000 -6.611 -5.247) 8.441 5.839 ( -0.000 26.206 -3.600) 26.452 6.191 ( -0.000 3.569 -7.678) 8.467 6.946 ( 0.000 -5.226 25.209) 25.745 7.064 ( 0.000 -3.089 6.803) 7.472 7.648 ( -0.000 3.848 -8.511) 9.341 7.750 ( 0.000 -18.106 -1.810) 18.196 8.118 ( -0.000 1.031 5.389) 5.486 8.175 ( 0.000 -3.733 11.981) 12.549 8.361 ( -0.000 0.889 -1.731) 1.946 8.664 ( -0.000 20.776 -3.509) 21.071 9.183 ( 0.000 -8.388 11.344) 14.109 9.741 ( 0.000 -1.835 -4.241) 4.621 10.287 ( -0.000 14.108 2.356) 14.304 10.473 ( 0.000 -6.769 -2.265) 7.137 10.633 ( 0.000 -8.758 -5.496) 10.340 10.656 ( 0.000 -0.997 -7.740) 7.804 11.741 ( 0.000 -4.195 -4.783) 6.362 12.228 ( 0.000 -18.396 -15.164) 23.840 12.421 ( -0.000 4.573 3.725) 5.898 12.736 ( -0.000 0.323 6.246) 6.254 12.787 ( 0.000 -7.986 -3.832) 8.858 13.355 ( 0.000 -3.208 0.158) 3.212 13.450 ( 0.000 -4.431 -0.043) 4.431 13.631 ( -0.000 0.061 -21.843) 21.843 14.702 ( -0.000 5.196 5.784) 7.775 14.762 ( 0.000 -0.248 26.879) 26.880 15.039 ( -0.000 6.931 4.750) 8.402 16.228 ( 0.000 -0.156 -15.399) 15.399 16.683 ( 0.000 -9.524 12.200) 15.477 17.599 ( 0.000 -13.006 -4.326) 13.707 17.665 ( -0.000 0.129 -10.295) 10.296 17.816 ( 0.000 -3.895 0.030) 3.896 18.054 ( 0.000 -0.290 8.107) 8.112 18.535 ( 0.000 -0.105 -4.040) 4.041 22.558 ( -0.000 1.263 8.383) 8.478 23.545 ( -0.000 6.844 -21.799) 22.848 24.546 ( -0.000 11.298 27.571) 29.796 26.094 ( 0.000 -1.041 -15.639) 15.673 ======================= Grid point 295 (111/171) ======================= q-point: (-0.57 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.868 ( -29.700 0.000 0.888) 29.714 3.967 ( -5.147 0.000 1.718) 5.426 4.026 ( -16.508 0.000 -8.069) 18.375 4.307 ( -2.980 0.000 -11.905) 12.272 4.528 ( -9.792 0.000 -3.514) 10.404 4.563 ( -6.857 0.000 -8.540) 10.952 5.026 ( -0.699 0.000 18.758) 18.771 5.139 ( -12.706 0.000 7.365) 14.686 5.404 ( -6.708 0.000 3.373) 7.508 5.712 ( -15.818 0.000 -9.442) 18.421 6.282 ( -28.752 0.000 9.151) 30.173 7.106 ( -5.986 0.000 11.090) 12.602 7.314 ( -21.073 0.000 14.416) 25.532 7.462 ( -19.834 0.000 -17.125) 26.204 8.019 ( -9.745 0.000 -1.295) 9.830 8.127 ( -31.838 0.000 -1.057) 31.856 8.459 ( -21.736 0.000 8.161) 23.218 8.808 ( -21.681 0.000 2.176) 21.790 8.875 ( -9.625 0.000 16.370) 18.990 9.106 ( -38.394 0.000 5.233) 38.749 9.672 ( -21.621 0.000 -4.727) 22.131 9.784 ( -7.863 0.000 0.348) 7.871 10.175 ( -2.857 0.000 -5.399) 6.108 10.203 ( 6.603 -0.000 -10.197) 12.148 10.530 ( 6.982 -0.000 -8.812) 11.243 10.575 ( -1.643 0.000 -12.006) 12.118 11.424 ( 18.414 -0.000 -4.278) 18.904 11.459 ( 8.681 -0.000 1.066) 8.747 12.280 ( 0.929 -0.000 4.943) 5.030 12.534 ( 9.700 -0.000 -3.444) 10.293 13.098 ( 7.247 -0.000 3.724) 8.148 13.243 ( 5.409 -0.000 0.731) 5.458 13.396 ( -18.738 0.000 5.254) 19.461 13.935 ( -1.993 0.000 -6.469) 6.769 14.161 ( 9.365 -0.000 7.409) 11.942 14.938 ( 15.560 -0.000 -6.568) 16.889 15.415 ( 41.952 -0.000 4.674) 42.212 15.609 ( -20.126 0.000 6.214) 21.064 16.217 ( 39.868 -0.000 -7.634) 40.592 16.235 ( 3.255 -0.000 -5.174) 6.112 17.191 ( -30.873 0.000 13.967) 33.885 18.044 ( -28.850 0.000 -5.858) 29.439 20.191 ( -52.913 0.000 -0.334) 52.914 20.380 ( -50.844 0.000 -4.143) 51.012 22.603 ( -1.993 0.000 8.958) 9.177 23.606 ( 1.451 -0.000 -20.278) 20.330 24.643 ( 3.462 -0.000 23.010) 23.269 25.823 ( 11.869 -0.000 -10.125) 15.601 ======================= Grid point 297 (112/171) ======================= q-point: (-0.50 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.268 ( -25.746 8.320 9.234) 28.589 3.675 ( -12.166 13.400 -5.360) 18.875 3.788 ( -12.263 0.802 0.115) 12.290 4.300 ( 0.475 2.118 -15.298) 15.452 4.362 ( -7.367 -0.245 -8.124) 10.970 4.401 ( -6.881 2.000 -14.273) 15.971 4.898 ( -12.104 -3.902 8.992) 15.576 5.084 ( 5.246 -2.682 16.485) 17.506 5.290 ( -6.480 0.840 4.983) 8.217 5.462 ( -9.437 -9.793 -7.883) 15.719 5.797 ( -22.498 -5.430 7.627) 24.368 6.957 ( -14.038 2.075 16.105) 21.465 7.031 ( -2.489 0.406 7.269) 7.694 7.121 ( -11.284 11.262 -12.467) 20.238 7.625 ( -17.556 -1.986 5.968) 18.649 7.822 ( -10.959 -0.283 -9.727) 14.656 8.165 ( -6.173 4.373 14.546) 16.396 8.477 ( -15.862 5.057 4.441) 17.230 8.480 ( -15.989 4.576 6.908) 18.009 8.795 ( -6.874 -14.371 15.110) 21.957 9.328 ( -9.230 10.938 -3.745) 14.794 9.701 ( -3.196 -4.253 -2.513) 5.883 10.190 ( 0.548 -7.723 -2.270) 8.069 10.317 ( 2.963 -4.233 -11.522) 12.628 10.578 ( 1.887 2.988 -9.060) 9.725 10.650 ( 4.576 0.254 -9.456) 10.508 11.620 ( 8.822 2.543 1.820) 9.360 11.796 ( 14.789 -6.395 -8.891) 18.403 12.341 ( 3.231 -4.179 4.354) 6.846 12.673 ( 5.704 2.373 -5.652) 8.373 12.944 ( -17.834 2.408 6.707) 19.205 13.237 ( 6.108 -1.440 2.834) 6.886 13.395 ( 4.219 0.534 -0.278) 4.262 13.784 ( -11.575 -0.604 -16.491) 20.157 14.412 ( 15.782 -0.441 13.568) 20.817 15.101 ( 4.473 2.144 -1.132) 5.088 15.194 ( -22.070 1.099 11.711) 25.009 16.155 ( 13.257 0.750 -14.760) 19.854 16.528 ( 35.321 7.500 5.823) 36.575 16.751 ( -4.053 -14.833 13.260) 20.305 17.096 ( 47.733 1.385 -7.102) 48.278 17.619 ( -16.308 -5.624 -3.880) 17.681 19.077 ( -61.794 0.555 0.863) 61.802 19.353 ( -54.629 0.904 -4.704) 54.839 22.579 ( -0.641 0.206 9.176) 9.200 23.624 ( 0.843 1.342 -21.784) 21.841 24.685 ( 1.949 2.897 25.488) 25.726 26.005 ( 6.760 -0.335 -11.620) 13.447 ======================= Grid point 298 (113/171) ======================= q-point: (-0.43 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.911 ( -0.000 14.442 14.026) 20.132 3.424 ( -0.000 21.955 -4.243) 22.361 3.621 ( -0.000 3.426 -0.047) 3.426 4.257 ( -0.000 9.106 -25.290) 26.880 4.273 ( -0.000 0.001 -5.454) 5.454 4.345 ( 0.000 -2.626 -11.658) 11.950 4.808 ( 0.000 -6.690 11.054) 12.920 5.184 ( 0.000 -0.276 9.532) 9.536 5.223 ( 0.000 -2.250 18.711) 18.846 5.410 ( 0.000 -4.208 -7.134) 8.282 5.661 ( 0.000 -20.962 -3.111) 21.192 6.704 ( -0.000 30.214 -8.267) 31.325 6.921 ( -0.000 4.431 18.567) 19.088 7.029 ( 0.000 -1.605 8.209) 8.365 7.519 ( 0.000 -12.227 5.598) 13.448 7.691 ( -0.000 1.967 -9.626) 9.825 8.131 ( -0.000 0.672 5.890) 5.928 8.189 ( -0.000 7.293 19.295) 20.628 8.370 ( -0.000 0.402 -1.564) 1.615 8.805 ( 0.000 -5.916 9.592) 11.270 9.169 ( -0.000 9.084 0.333) 9.090 9.702 ( 0.000 -3.614 -3.722) 5.188 10.276 ( 0.000 -11.960 -1.951) 12.118 10.381 ( 0.000 -6.183 -9.117) 11.016 10.574 ( -0.000 3.869 -5.586) 6.795 10.686 ( -0.000 1.732 -8.881) 9.048 11.708 ( -0.000 0.132 -0.333) 0.358 12.011 ( 0.000 -10.213 -11.348) 15.267 12.421 ( 0.000 -5.202 3.537) 6.290 12.724 ( -0.000 0.914 -4.109) 4.210 12.740 ( -0.000 0.180 6.221) 6.224 13.322 ( 0.000 -1.665 1.538) 2.267 13.433 ( -0.000 0.686 -0.343) 0.767 13.632 ( -0.000 0.034 -21.798) 21.798 14.759 ( 0.000 -0.138 26.877) 26.878 14.764 ( -0.000 3.040 3.845) 4.902 15.122 ( -0.000 4.137 0.834) 4.220 16.226 ( 0.000 -0.086 -15.435) 15.436 16.556 ( 0.000 -6.892 16.278) 17.677 17.427 ( 0.000 -8.331 -6.286) 10.436 17.634 ( 0.000 -2.769 -3.556) 4.507 17.844 ( -0.000 3.584 -7.144) 7.993 18.050 ( 0.000 -0.161 8.150) 8.152 18.534 ( 0.000 -0.058 -4.056) 4.057 22.571 ( -0.000 0.484 9.064) 9.077 23.616 ( -0.000 2.979 -22.269) 22.467 24.672 ( -0.000 5.857 26.684) 27.319 26.077 ( 0.000 -1.005 -12.776) 12.816 ======================= Grid point 312 (114/171) ======================= q-point: ( 0.50 -0.50 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.023 ( -0.000 0.000 13.573) 13.573 3.597 ( -0.000 0.000 -5.794) 5.794 3.647 ( -0.000 0.000 0.794) 0.794 4.280 ( 0.000 -0.000 -8.237) 8.237 4.314 ( -0.000 0.000 -7.963) 7.963 4.325 ( -0.000 0.000 -22.570) 22.570 4.759 ( -0.000 0.000 9.999) 9.999 5.162 ( -0.000 0.000 13.123) 13.123 5.257 ( 0.000 -0.000 1.278) 1.278 5.378 ( -0.000 0.000 -8.008) 8.008 5.462 ( -0.000 0.000 8.101) 8.101 6.833 ( -0.000 0.000 19.752) 19.752 7.017 ( -0.000 0.000 8.723) 8.723 7.059 ( -0.000 0.000 -19.765) 19.765 7.422 ( -0.000 0.000 12.066) 12.066 7.705 ( -0.000 0.000 -10.001) 10.001 8.136 ( -0.000 0.000 6.052) 6.052 8.320 ( -0.000 0.000 25.589) 25.589 8.373 ( -0.000 0.000 -1.498) 1.498 8.670 ( -0.000 0.000 14.010) 14.010 9.280 ( -0.000 0.000 -2.975) 2.975 9.658 ( 0.000 -0.000 -2.456) 2.456 10.166 ( -0.000 0.000 -1.006) 1.006 10.327 ( -0.000 0.000 -14.083) 14.083 10.611 ( -0.000 0.000 -9.322) 9.322 10.699 ( -0.000 0.000 -8.982) 8.982 11.719 ( -0.000 0.000 2.490) 2.490 11.936 ( -0.000 0.000 -10.028) 10.028 12.363 ( -0.000 0.000 4.883) 4.883 12.741 ( -0.000 0.000 6.212) 6.212 12.746 ( 0.000 -0.000 -6.396) 6.396 13.309 ( -0.000 0.000 2.854) 2.854 13.441 ( -0.000 0.000 -0.059) 0.059 13.632 ( -0.000 0.000 -21.781) 21.781 14.758 ( -0.000 0.000 26.877) 26.877 14.787 ( -0.000 0.000 3.018) 3.018 15.153 ( -0.000 0.000 -0.940) 0.940 16.226 ( -0.000 0.000 -15.448) 15.448 16.502 ( -0.000 0.000 18.162) 18.162 17.365 ( -0.000 0.000 -6.407) 6.407 17.613 ( -0.000 0.000 -2.542) 2.542 17.872 ( -0.000 0.000 -8.785) 8.785 18.049 ( -0.000 0.000 8.166) 8.166 18.534 ( -0.000 0.000 -4.062) 4.062 22.574 ( -0.000 0.000 9.303) 9.303 23.637 ( -0.000 0.000 -22.268) 22.268 24.716 ( -0.000 0.000 26.170) 26.170 26.069 ( -0.000 0.000 -11.906) 11.906 ======================= Grid point 406 (115/171) ======================= 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( 0.000 0.000 44.160) 44.160 1.842 ( 0.000 0.000 42.186) 42.186 2.616 ( 0.000 0.000 -34.606) 34.606 2.662 ( 0.000 0.000 -38.417) 38.417 3.136 ( 0.000 0.000 70.890) 70.890 4.376 ( 0.000 0.000 3.367) 3.367 4.430 ( 0.000 0.000 -1.634) 1.634 4.478 ( 0.000 0.000 -61.239) 61.239 5.717 ( 0.000 0.000 4.401) 4.401 5.794 ( 0.000 0.000 -3.119) 3.119 6.840 ( 0.000 0.000 24.090) 24.090 6.946 ( 0.000 0.000 12.922) 12.922 7.304 ( 0.000 0.000 0.450) 0.450 7.316 ( 0.000 0.000 -0.729) 0.729 7.666 ( 0.000 0.000 -11.663) 11.663 7.764 ( 0.000 0.000 -20.561) 20.561 8.132 ( 0.000 0.000 3.672) 3.672 8.207 ( 0.000 0.000 -3.571) 3.571 8.327 ( 0.000 0.000 9.053) 9.053 8.539 ( 0.000 0.000 -11.799) 11.799 9.123 ( 0.000 0.000 18.242) 18.242 9.450 ( 0.000 0.000 -13.343) 13.343 10.085 ( 0.000 0.000 9.472) 9.472 10.309 ( 0.000 0.000 -13.567) 13.567 11.216 ( 0.000 0.000 3.172) 3.172 11.267 ( 0.000 0.000 -1.423) 1.423 11.981 ( 0.000 0.000 7.916) 7.916 12.031 ( 0.000 0.000 2.597) 2.597 12.698 ( 0.000 0.000 2.535) 2.535 12.805 ( 0.000 0.000 -7.688) 7.688 12.905 ( 0.000 0.000 12.653) 12.653 13.216 ( 0.000 0.000 -18.369) 18.369 13.829 ( 0.000 0.000 11.430) 11.430 14.065 ( 0.000 0.000 -11.546) 11.546 14.637 ( 0.000 0.000 13.913) 13.913 14.930 ( 0.000 0.000 -14.698) 14.698 15.327 ( 0.000 0.000 27.191) 27.191 15.841 ( 0.000 0.000 -23.593) 23.593 17.575 ( 0.000 0.000 24.022) 24.022 18.073 ( 0.000 0.000 -24.855) 24.855 18.256 ( 0.000 0.000 9.458) 9.458 18.428 ( 0.000 0.000 -7.406) 7.406 19.435 ( 0.000 0.000 2.585) 2.585 19.453 ( 0.000 0.000 0.402) 0.402 22.697 ( 0.000 0.000 5.588) 5.588 22.809 ( 0.000 0.000 -5.192) 5.192 23.153 ( 0.000 0.000 5.195) 5.195 23.260 ( 0.000 0.000 -5.214) 5.214 ======================= Grid point 407 (116/171) ======================= q-point: ( 0.07 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( 10.398 -3.710 37.708) 39.291 1.951 ( 12.219 -5.824 37.329) 39.707 2.680 ( 6.153 -2.614 -33.036) 33.706 2.754 ( 9.210 -3.375 -36.257) 37.561 3.567 ( 35.726 -8.450 56.864) 67.685 4.386 ( 7.044 0.592 -15.320) 16.872 4.593 ( 18.866 0.102 7.784) 20.409 5.002 ( 35.785 -1.686 -38.843) 52.842 5.825 ( 10.796 1.650 8.374) 13.762 5.988 ( 19.721 1.814 -7.051) 21.022 6.711 ( -5.256 4.641 17.410) 18.769 6.802 ( -3.997 2.620 5.742) 7.471 7.316 ( -0.935 1.569 7.517) 7.736 7.591 ( -10.159 -1.180 -8.762) 13.467 7.655 ( 24.534 2.917 -3.604) 24.968 7.829 ( 10.973 -5.851 -12.197) 17.419 8.255 ( 4.249 -1.390 0.229) 4.477 8.284 ( 10.076 -2.332 -3.955) 11.073 8.384 ( 7.384 -0.165 12.623) 14.625 8.631 ( 11.378 1.415 -12.096) 16.667 9.204 ( 6.543 -3.682 18.728) 20.177 9.542 ( 7.731 -2.582 -14.000) 16.200 10.017 ( -7.853 3.250 6.985) 11.001 10.107 ( -23.147 -1.848 -1.268) 23.255 10.935 ( -24.985 2.407 16.505) 30.040 11.115 ( -10.490 1.994 -2.281) 10.919 11.422 ( -12.010 0.953 9.094) 15.095 11.641 ( -27.275 -1.067 -9.506) 28.904 12.504 ( -11.858 5.423 1.462) 13.120 12.584 ( -11.474 -3.976 -5.944) 13.520 13.278 ( 10.196 2.876 1.221) 10.664 13.367 ( 4.173 -2.193 -6.546) 8.067 14.027 ( 12.359 -0.033 7.297) 14.353 14.197 ( 7.103 1.642 -8.322) 11.064 14.617 ( -2.336 -1.403 12.954) 13.238 14.890 ( -3.708 1.611 -13.338) 13.937 15.249 ( -6.805 -0.888 22.818) 23.828 15.678 ( -12.540 0.027 -18.853) 22.642 17.124 ( -29.929 5.049 21.853) 37.401 17.519 ( -31.648 7.757 -16.728) 36.627 18.614 ( 30.097 1.313 11.764) 32.341 18.890 ( 32.740 1.585 -15.480) 36.250 20.001 ( 52.527 19.326 11.217) 57.083 20.300 ( 69.503 34.625 -21.127) 80.473 22.624 ( 5.292 16.158 14.458) 22.319 22.897 ( 4.834 5.838 -12.227) 14.386 23.349 ( 1.597 -29.545 3.004) 29.740 23.493 ( 7.095 -51.862 -12.939) 53.920 ======================= Grid point 408 (117/171) ======================= q-point: ( 0.14 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( 21.670 -5.440 26.217) 34.446 2.371 ( 23.241 -9.647 24.493) 35.116 2.903 ( 14.599 -3.875 -24.966) 29.180 3.076 ( 19.309 -7.109 -31.919) 37.976 4.353 ( 31.211 -8.055 22.132) 39.100 4.574 ( 10.944 -0.281 -1.750) 11.086 4.993 ( 23.241 -4.870 26.668) 35.708 5.631 ( 23.156 -2.195 -25.190) 34.287 6.012 ( 8.138 2.497 8.949) 12.351 6.287 ( 6.841 3.986 -13.334) 15.507 6.793 ( 16.778 -1.294 15.819) 23.096 6.972 ( 24.223 8.205 -2.002) 25.653 7.250 ( -0.392 5.891 1.251) 6.035 7.451 ( -3.112 -6.544 -16.514) 18.034 8.060 ( 18.827 -3.439 6.225) 20.125 8.191 ( 19.324 -8.721 -3.694) 21.520 8.325 ( 1.591 -2.813 9.008) 9.570 8.493 ( 12.509 -1.433 -10.566) 16.436 8.651 ( 19.173 5.779 19.424) 27.898 8.987 ( 28.470 9.078 -12.601) 32.430 9.397 ( 8.336 -9.175 14.520) 19.091 9.652 ( -1.758 -7.475 -8.967) 11.806 9.821 ( 8.527 0.799 -0.149) 8.565 9.892 ( -2.927 1.891 -3.577) 4.994 10.771 ( 2.701 1.504 5.948) 6.703 10.927 ( -2.430 0.213 -7.770) 8.144 11.291 ( -3.348 3.606 1.888) 5.271 11.330 ( -7.953 -1.832 -1.361) 8.274 12.230 ( -13.317 0.244 7.591) 15.331 12.380 ( -12.398 -3.158 -7.088) 14.626 13.319 ( -0.943 2.095 3.377) 4.085 13.405 ( -1.386 -2.408 -4.711) 5.469 14.111 ( -2.352 3.598 3.479) 5.530 14.181 ( -4.375 7.055 -2.667) 8.720 14.561 ( -5.903 -3.091 10.383) 12.337 14.757 ( -7.268 5.548 -6.989) 11.509 15.139 ( -6.709 -5.229 10.542) 13.546 15.401 ( -16.868 0.227 -13.268) 21.462 16.639 ( -13.852 8.160 17.363) 23.663 16.959 ( -19.473 9.120 -13.862) 25.583 19.136 ( 25.350 7.427 15.128) 30.441 19.483 ( 29.011 5.691 -19.008) 35.148 20.819 ( 47.241 25.748 13.984) 55.590 21.133 ( 47.490 39.671 -17.829) 64.397 22.672 ( 6.933 5.166 14.694) 17.049 22.941 ( 4.460 4.334 -11.723) 13.270 23.635 ( 3.952 -32.048 13.008) 34.813 24.003 ( 3.423 -47.143 -24.582) 53.277 ======================= Grid point 409 (118/171) ======================= q-point: ( 0.21 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.779 ( 24.001 -5.637 15.613) 29.183 2.884 ( 21.447 -8.841 11.184) 25.753 3.272 ( 19.329 -5.231 -9.753) 22.273 3.523 ( 20.985 -4.286 -25.307) 33.154 4.700 ( 9.066 0.189 5.223) 10.465 4.774 ( 6.222 -2.179 -1.540) 6.770 5.608 ( 24.689 -18.522 23.743) 38.940 5.908 ( 4.838 -5.061 -3.950) 8.039 6.065 ( 3.218 5.677 14.505) 15.905 6.353 ( 5.465 2.242 -11.475) 12.906 7.007 ( 2.727 -6.368 15.707) 17.167 7.228 ( 11.848 8.706 -0.306) 14.706 7.448 ( 11.595 0.341 -12.455) 17.020 7.614 ( 15.231 -7.525 -20.890) 26.925 8.403 ( 6.673 -0.853 17.537) 18.783 8.537 ( 18.815 -10.149 3.942) 21.738 8.605 ( 23.559 -4.592 -0.619) 24.010 8.819 ( 17.697 6.877 -16.783) 25.341 8.992 ( 23.198 3.808 18.858) 30.138 9.432 ( 22.686 9.363 -20.143) 31.750 9.684 ( 18.026 -5.756 11.206) 21.991 9.902 ( 10.531 3.956 -6.565) 13.025 10.007 ( 23.636 -1.510 -2.666) 23.833 10.074 ( 15.127 -1.346 -4.350) 15.798 10.883 ( 9.695 2.343 6.455) 11.881 11.054 ( 13.179 -0.511 -9.707) 16.376 11.262 ( 5.655 -0.451 6.761) 8.826 11.357 ( 11.138 1.131 0.001) 11.195 12.069 ( -2.672 -5.655 7.589) 9.834 12.202 ( -7.821 -5.529 -5.711) 11.152 13.244 ( -4.633 3.088 6.571) 8.613 13.358 ( -4.473 0.360 -3.981) 5.999 13.927 ( -12.015 5.426 0.939) 13.217 13.980 ( -11.026 5.574 -4.170) 13.040 14.429 ( -8.921 -0.801 8.148) 12.108 14.562 ( -7.364 7.576 -4.054) 11.316 15.014 ( -12.684 -1.663 2.814) 13.098 15.093 ( -11.322 -3.371 -4.235) 12.549 16.451 ( -1.606 7.754 9.026) 12.008 16.637 ( -8.438 7.325 -8.899) 14.284 19.453 ( 15.630 12.077 18.208) 26.864 19.862 ( 17.171 11.580 -21.942) 30.173 21.411 ( 32.304 19.587 11.533) 39.500 21.636 ( 32.057 27.336 -11.031) 43.550 22.792 ( 7.806 0.832 11.031) 13.539 23.014 ( 4.833 -0.100 -10.864) 11.891 23.920 ( 2.236 -26.384 16.003) 30.939 24.275 ( -4.812 -32.444 -19.062) 37.936 ======================= Grid point 410 (119/171) ======================= q-point: ( 0.29 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.229 ( 17.228 -6.735 8.285) 20.268 3.297 ( 14.743 -10.138 1.843) 17.987 3.673 ( 18.098 -3.542 1.324) 18.489 3.899 ( 17.786 3.190 -17.292) 25.011 4.777 ( 0.516 0.840 5.250) 5.342 4.895 ( 4.238 -1.505 -6.241) 7.692 5.865 ( -4.391 -4.990 14.526) 15.974 6.042 ( 5.270 -17.366 -1.755) 18.233 6.221 ( 11.182 1.331 9.933) 15.015 6.453 ( 6.846 2.334 -12.479) 14.423 7.151 ( 4.739 -5.008 18.443) 19.690 7.437 ( 12.092 -4.269 2.455) 13.056 7.595 ( 7.137 -6.618 0.878) 9.773 7.965 ( 12.999 -10.944 -21.615) 27.494 8.557 ( 8.330 -0.839 21.358) 22.940 8.970 ( 8.528 8.616 -9.775) 15.573 9.026 ( 23.919 -4.822 -7.580) 25.551 9.072 ( 24.196 -1.788 -9.451) 26.038 9.456 ( 24.465 4.695 12.751) 27.985 9.719 ( 12.365 9.588 -9.155) 18.128 9.953 ( 4.947 -1.919 2.368) 5.811 10.009 ( 6.918 1.585 -5.237) 8.821 10.300 ( 7.902 5.732 4.514) 10.756 10.441 ( 12.882 9.833 -9.928) 19.005 11.178 ( 21.126 0.704 9.979) 23.374 11.392 ( 19.582 2.336 -10.381) 22.286 11.547 ( 21.718 -4.460 11.722) 25.079 11.762 ( 28.425 -6.373 -7.451) 30.069 12.236 ( 11.192 -5.674 5.955) 13.889 12.321 ( 21.981 -6.672 -0.418) 22.976 13.118 ( -4.796 4.427 9.449) 11.484 13.237 ( -5.739 2.841 -1.317) 6.537 13.627 ( -13.459 5.467 -2.436) 14.730 13.687 ( -16.428 1.421 -8.705) 18.647 14.271 ( -6.648 0.444 5.963) 8.942 14.368 ( -7.608 5.662 -2.567) 9.824 14.797 ( -6.418 2.695 8.331) 10.857 14.962 ( -6.830 -2.484 -8.058) 10.851 16.407 ( 1.419 5.950 4.308) 7.482 16.501 ( -2.126 3.764 -4.767) 6.435 19.584 ( 8.310 12.854 18.995) 24.394 20.001 ( 8.217 13.931 -21.862) 27.195 21.775 ( 17.663 10.830 10.455) 23.208 21.968 ( 18.939 15.389 -8.844) 25.956 22.956 ( 9.621 0.631 7.616) 12.286 23.126 ( 6.135 -1.335 -9.100) 11.055 24.084 ( -2.801 -19.428 12.588) 23.319 24.329 ( -10.027 -23.213 -11.509) 27.783 ======================= Grid point 411 (120/171) ======================= q-point: ( 0.36 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.538 ( 9.125 -10.814 4.753) 14.926 3.604 ( 8.628 -11.922 -2.608) 14.946 3.986 ( 13.292 1.145 3.341) 13.754 4.170 ( 15.025 7.839 -12.458) 21.034 4.764 ( -0.985 -0.133 5.336) 5.428 4.915 ( -1.731 1.287 -8.742) 9.004 5.868 ( 0.766 -5.019 17.102) 17.839 6.155 ( -1.617 -8.495 -9.169) 12.604 6.416 ( 8.609 0.118 9.064) 12.502 6.584 ( 6.209 -0.658 -8.036) 10.176 7.258 ( 5.422 -3.194 13.455) 14.854 7.541 ( 0.260 -2.512 -12.239) 12.497 7.986 ( 18.539 -14.249 14.914) 27.734 8.264 ( 7.452 -12.497 -10.950) 18.211 8.740 ( 9.963 -0.878 22.980) 25.062 9.055 ( 8.238 6.363 -8.252) 13.283 9.409 ( 14.251 -4.250 -1.230) 14.922 9.598 ( 19.120 -7.482 -19.997) 28.661 9.769 ( 9.842 9.853 3.507) 14.361 9.832 ( 12.725 6.020 -0.907) 14.106 10.035 ( 6.404 -1.608 3.755) 7.596 10.170 ( 7.527 0.997 -7.239) 10.490 10.317 ( 5.087 7.960 3.148) 9.958 10.440 ( -0.031 8.481 -8.370) 11.916 11.349 ( 1.641 11.704 8.152) 14.357 11.526 ( -2.355 7.010 -8.936) 11.599 12.162 ( 30.412 -6.711 12.172) 33.437 12.397 ( 24.415 -3.693 -8.104) 25.989 12.618 ( 19.900 -5.117 13.337) 24.497 12.834 ( 18.745 -2.537 -3.546) 19.245 12.957 ( -9.897 0.944 11.070) 14.879 13.190 ( -2.980 1.105 -9.114) 9.652 13.398 ( -2.899 -2.686 0.785) 4.029 13.517 ( 10.756 2.462 -8.107) 13.692 14.179 ( -2.794 1.286 3.011) 4.304 14.209 ( -5.106 2.552 1.702) 5.957 14.730 ( 1.246 4.294 5.447) 7.047 14.873 ( -2.616 0.602 -8.500) 8.914 16.405 ( 1.903 2.940 3.363) 4.855 16.477 ( 1.213 2.032 -3.562) 4.276 19.609 ( 3.892 10.472 18.574) 21.675 20.009 ( 3.380 11.779 -20.559) 23.935 21.949 ( 7.161 4.627 10.343) 13.404 22.141 ( 8.186 7.132 -8.675) 13.897 23.134 ( 9.237 1.557 5.032) 10.633 23.256 ( 6.351 -0.252 -6.925) 9.400 24.107 ( -6.986 -13.796 8.674) 17.731 24.262 ( -11.514 -16.600 -6.600) 21.253 ======================= Grid point 412 (121/171) ======================= q-point: ( 0.43 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.752 ( 4.997 -9.865 2.086) 11.253 3.799 ( 3.899 -8.287 -4.113) 10.039 4.167 ( 7.296 2.546 3.818) 8.619 4.355 ( 9.176 5.688 -12.058) 16.185 4.751 ( -0.776 -1.347 2.406) 2.865 4.843 ( -3.381 2.868 -6.085) 7.528 5.939 ( 2.576 -3.887 15.354) 16.047 6.162 ( -1.033 -1.403 -2.820) 3.315 6.519 ( 2.590 -1.005 4.149) 4.994 6.657 ( 1.013 0.623 -7.092) 7.191 7.420 ( 8.344 -2.286 7.184) 11.246 7.570 ( 1.310 -1.187 -6.714) 6.943 8.329 ( 6.478 -5.699 9.898) 13.130 8.407 ( 2.308 -4.235 2.499) 5.432 8.917 ( 6.771 -5.956 18.044) 20.172 9.228 ( 9.113 -2.126 -11.390) 14.741 9.648 ( 5.087 -9.785 1.998) 11.208 9.716 ( 2.323 4.255 -0.816) 4.916 9.919 ( 1.761 0.317 -3.257) 3.717 10.050 ( 6.002 -1.344 -11.585) 13.116 10.145 ( 9.277 0.543 -3.377) 9.888 10.200 ( 2.594 4.830 -4.906) 7.357 10.486 ( 15.849 10.331 2.491) 19.082 10.572 ( 15.034 2.498 -5.084) 16.066 11.162 ( -9.632 10.686 4.127) 14.966 11.295 ( -13.892 4.589 -7.883) 16.619 12.535 ( -0.021 2.975 12.216) 12.573 12.591 ( -2.700 3.062 7.249) 8.320 12.705 ( 1.868 -1.544 13.238) 13.459 12.960 ( -4.826 -1.131 -9.131) 10.390 13.032 ( 10.350 -5.997 -4.054) 12.630 13.125 ( 5.750 -1.857 -9.706) 11.433 13.705 ( 18.860 -3.757 11.476) 22.394 13.896 ( 15.914 -4.929 -7.252) 18.169 14.118 ( -0.139 1.759 4.814) 5.128 14.175 ( 3.014 3.893 -2.218) 5.400 14.741 ( 2.004 3.383 3.716) 5.410 14.866 ( 2.151 1.219 -8.725) 9.069 16.436 ( 2.408 0.657 2.878) 3.810 16.496 ( 1.595 1.435 -2.915) 3.619 19.597 ( 1.476 5.870 17.997) 18.988 19.981 ( 1.109 6.649 -19.440) 20.576 22.008 ( 1.973 1.487 10.227) 10.521 22.200 ( 2.287 2.474 -8.692) 9.322 23.270 ( 5.910 1.697 3.317) 6.986 23.357 ( 4.105 0.619 -5.272) 6.710 24.049 ( -6.475 -7.927 6.664) 12.213 24.161 ( -8.204 -9.392 -4.461) 13.244 ======================= Grid point 413 (122/171) ======================= q-point: (-0.50 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.845 ( 0.000 0.000 0.899) 0.899 3.866 ( 0.000 -0.000 -3.921) 3.921 4.229 ( 0.000 0.000 3.543) 3.543 4.424 ( 0.000 0.000 -12.703) 12.703 4.762 ( 0.000 -0.000 -1.345) 1.345 4.777 ( -0.000 0.000 -2.082) 2.082 5.989 ( 0.000 -0.000 14.101) 14.101 6.150 ( -0.000 -0.000 2.307) 2.307 6.553 ( 0.000 -0.000 -0.523) 0.523 6.647 ( 0.000 -0.000 -6.806) 6.806 7.540 ( 0.000 -0.000 2.780) 2.780 7.578 ( 0.000 -0.000 -1.598) 1.598 8.382 ( 0.000 0.000 10.491) 10.491 8.434 ( 0.000 -0.000 7.568) 7.568 9.045 ( 0.000 -0.000 11.830) 11.830 9.324 ( 0.000 0.000 -11.553) 11.553 9.739 ( -0.000 -0.000 -2.063) 2.063 9.742 ( 0.000 0.000 -0.157) 0.157 9.870 ( 0.000 -0.000 5.499) 5.499 10.063 ( 0.000 0.000 -10.488) 10.488 10.265 ( 0.000 -0.000 -1.269) 1.269 10.345 ( 0.000 -0.000 -8.882) 8.882 10.586 ( 0.000 0.000 3.738) 3.738 10.727 ( 0.000 0.000 -12.416) 12.416 10.986 ( 0.000 -0.000 5.471) 5.471 11.112 ( -0.000 -0.000 -7.179) 7.179 12.466 ( 0.000 0.000 8.706) 8.706 12.467 ( -0.000 -0.000 11.061) 11.061 12.795 ( 0.000 -0.000 5.726) 5.726 12.933 ( 0.000 -0.000 -5.538) 5.538 13.110 ( 0.000 -0.000 0.296) 0.296 13.241 ( 0.000 -0.000 -8.530) 8.530 13.911 ( 0.000 -0.000 9.734) 9.734 14.009 ( 0.000 0.000 1.573) 1.573 14.149 ( 0.000 -0.000 1.133) 1.133 14.237 ( 0.000 -0.000 -6.217) 6.217 14.747 ( 0.000 -0.000 4.369) 4.369 14.892 ( 0.000 -0.000 -9.772) 9.772 16.464 ( 0.000 0.000 2.005) 2.005 16.505 ( 0.000 -0.000 -2.025) 2.025 19.589 ( 0.000 -0.000 17.759) 17.759 19.965 ( 0.000 -0.000 -19.020) 19.020 22.020 ( 0.000 -0.000 10.136) 10.136 22.210 ( 0.000 -0.000 -8.659) 8.659 23.323 ( 0.000 -0.000 2.571) 2.571 23.395 ( 0.000 -0.000 -4.573) 4.573 24.010 ( 0.000 -0.000 6.210) 6.210 24.113 ( -0.000 -0.000 -3.976) 3.976 ======================= Grid point 422 (123/171) ======================= q-point: ( 0.07 0.07 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( 23.606 -0.000 31.057) 39.010 2.279 ( 23.692 -0.000 22.874) 32.932 2.879 ( 15.223 -0.000 -25.930) 30.069 3.019 ( 19.860 -0.000 -32.100) 37.747 4.284 ( 35.860 -0.000 28.519) 45.818 4.576 ( 9.514 -0.000 -3.058) 9.993 4.962 ( 19.585 -0.000 24.039) 31.007 5.616 ( 23.674 -0.000 -30.637) 38.718 6.029 ( 8.081 -0.000 9.880) 12.764 6.320 ( 5.309 -0.000 -14.117) 15.083 6.780 ( 14.935 -0.000 18.466) 23.750 7.033 ( 25.213 -0.000 -3.617) 25.471 7.318 ( 2.662 -0.000 -1.172) 2.908 7.379 ( -7.414 0.000 -12.289) 14.352 8.028 ( 14.874 -0.000 5.088) 15.720 8.121 ( 19.044 -0.000 -2.529) 19.211 8.311 ( 3.677 -0.000 7.658) 8.494 8.478 ( 16.635 -0.000 -11.109) 20.004 8.696 ( 18.955 -0.000 22.044) 29.073 9.061 ( 30.096 -0.000 -14.389) 33.359 9.326 ( 6.303 -0.000 15.731) 16.947 9.598 ( 1.371 -0.000 -9.675) 9.772 9.825 ( 8.042 -0.000 0.861) 8.088 9.906 ( -3.543 0.000 -3.623) 5.068 10.779 ( 2.877 -0.000 5.229) 5.969 10.918 ( -4.407 0.000 -6.784) 8.090 11.320 ( -8.354 0.000 0.170) 8.356 11.332 ( -1.208 0.000 0.223) 1.228 12.237 ( -15.738 0.000 5.631) 16.715 12.350 ( -12.440 0.000 -4.827) 13.344 13.347 ( -1.434 0.000 -0.087) 1.436 13.370 ( -0.771 0.000 -1.740) 1.903 14.135 ( -2.275 0.000 4.831) 5.340 14.235 ( -4.804 0.000 -4.130) 6.335 14.536 ( -5.169 0.000 12.760) 13.767 14.805 ( -5.553 0.000 -13.405) 14.509 15.096 ( -7.920 0.000 16.009) 17.861 15.404 ( -16.698 0.000 -14.141) 21.881 16.701 ( -14.816 0.000 17.761) 23.129 17.029 ( -21.114 0.000 -14.234) 25.464 19.188 ( 26.167 -0.000 14.205) 29.774 19.521 ( 29.781 -0.000 -18.715) 35.173 21.044 ( 44.278 -0.000 19.406) 48.344 21.476 ( 39.345 -0.000 -23.366) 45.760 22.804 ( 4.244 -0.000 9.968) 10.834 23.038 ( 1.978 -0.000 -12.644) 12.798 23.302 ( 9.246 -0.000 7.537) 11.928 23.517 ( 14.663 -0.000 -15.738) 21.510 ======================= Grid point 423 (124/171) ======================= q-point: ( 0.14 0.07 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.743 ( 24.562 0.039 14.793) 28.673 2.788 ( 24.807 -4.150 16.634) 30.155 3.225 ( 19.780 -1.402 -11.415) 22.880 3.481 ( 26.158 -1.406 -27.080) 37.677 4.706 ( 8.614 1.013 4.174) 9.626 4.735 ( 6.941 -2.672 1.728) 7.635 5.418 ( 23.068 -6.658 28.735) 37.445 5.856 ( 1.941 -1.904 -11.687) 11.999 6.122 ( 3.681 2.043 12.338) 13.037 6.371 ( 4.760 0.450 -9.511) 10.645 6.943 ( 2.651 -2.274 17.218) 17.569 7.332 ( 5.735 4.380 -14.949) 16.599 7.426 ( 3.612 -1.764 -7.759) 8.739 7.536 ( 17.869 -3.125 -16.328) 24.406 8.373 ( 9.281 -1.938 14.213) 17.085 8.456 ( 21.058 -1.648 1.702) 21.191 8.567 ( 29.083 -1.038 11.706) 31.368 8.899 ( 19.376 3.199 -16.735) 25.801 9.029 ( 20.665 1.192 20.301) 28.993 9.479 ( 17.029 -1.494 -13.547) 21.811 9.681 ( 28.233 3.651 3.241) 28.652 9.919 ( 16.943 -1.284 -13.148) 21.485 9.985 ( 14.342 -0.288 2.932) 14.642 10.085 ( 23.600 1.170 -6.666) 24.552 10.896 ( 7.226 0.071 4.440) 8.481 11.010 ( 8.850 -2.707 -6.391) 11.247 11.278 ( 8.118 1.315 9.287) 12.405 11.419 ( 13.933 3.887 -3.791) 14.953 12.000 ( -6.760 -2.993 8.385) 11.179 12.138 ( -8.847 -2.592 -5.194) 10.581 13.278 ( -4.363 1.607 3.759) 5.979 13.343 ( -3.406 -1.500 -2.031) 4.240 13.970 ( -13.067 1.053 1.988) 13.260 14.036 ( -14.255 1.867 -4.024) 14.929 14.423 ( -6.863 -0.032 11.686) 13.552 14.666 ( -7.386 4.919 -11.266) 14.341 14.968 ( -6.988 -3.023 6.113) 9.764 15.075 ( -15.060 -0.063 -3.706) 15.509 16.532 ( -3.250 2.999 8.705) 9.764 16.715 ( -11.082 2.884 -8.784) 14.433 19.569 ( 15.058 3.819 17.364) 23.299 19.967 ( 17.484 3.286 -21.894) 28.211 21.665 ( 26.391 11.415 16.690) 33.247 21.991 ( 23.828 15.389 -15.740) 32.439 22.861 ( 7.088 7.824 9.163) 13.979 23.041 ( 2.474 2.776 -8.514) 9.291 23.573 ( 8.556 -16.988 10.136) 21.553 23.828 ( 4.346 -22.699 -15.187) 27.655 ======================= Grid point 424 (125/171) ======================= q-point: ( 0.21 0.07 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.155 ( 16.270 -3.791 5.237) 17.507 3.191 ( 13.618 -4.160 3.833) 14.746 3.657 ( 24.328 0.770 5.990) 25.067 3.969 ( 24.751 5.183 -21.078) 32.920 4.782 ( -0.005 -0.078 3.850) 3.851 4.861 ( 5.540 -2.675 -3.445) 7.051 5.759 ( -1.799 -8.517 8.554) 12.204 5.799 ( -0.399 -12.240 5.134) 13.280 6.248 ( 10.082 1.793 8.609) 13.379 6.476 ( 5.315 0.812 -12.108) 13.248 7.092 ( 9.496 -2.861 20.561) 22.828 7.415 ( 6.874 0.555 0.594) 6.922 7.500 ( 2.704 -5.607 -4.331) 7.583 7.817 ( 10.247 -8.196 -21.590) 25.265 8.554 ( 9.667 0.059 26.906) 28.590 8.972 ( 28.413 -1.935 -7.511) 29.453 9.061 ( 19.392 1.276 -5.250) 20.131 9.087 ( 9.771 4.763 -14.428) 18.065 9.502 ( 26.217 1.790 14.045) 29.796 9.827 ( 14.647 3.942 -16.531) 22.435 9.940 ( 4.212 0.360 6.662) 7.890 10.039 ( 2.838 2.064 -3.851) 5.210 10.391 ( 15.956 6.232 7.973) 18.894 10.602 ( 17.008 10.584 -12.805) 23.775 11.143 ( 25.564 -4.274 6.402) 26.698 11.308 ( 24.571 -10.224 -8.112) 27.822 11.565 ( 15.240 3.973 9.782) 18.540 11.750 ( 19.316 3.874 -6.011) 20.598 12.159 ( 15.714 -4.242 4.887) 16.994 12.218 ( 24.100 -6.906 0.387) 25.073 13.169 ( -5.249 2.676 8.084) 10.003 13.248 ( -7.115 -0.890 0.924) 7.230 13.676 ( -15.499 1.638 -4.036) 16.099 13.695 ( -19.084 -0.102 -6.532) 20.172 14.284 ( -6.281 1.112 8.778) 10.851 14.453 ( -10.251 4.872 -5.745) 12.721 14.837 ( -4.207 2.741 4.948) 7.049 14.924 ( -4.245 -2.647 -4.184) 6.522 16.484 ( -0.010 4.173 2.380) 4.803 16.545 ( -4.781 2.080 -3.470) 6.264 19.728 ( 6.273 6.612 18.994) 21.068 20.153 ( 6.581 6.762 -22.797) 24.673 21.944 ( 12.513 10.571 14.343) 21.773 22.218 ( 12.769 16.187 -13.098) 24.427 22.991 ( 10.961 4.714 6.567) 13.620 23.122 ( 6.970 0.578 -6.306) 9.417 23.803 ( 1.533 -17.246 8.588) 19.327 23.979 ( -5.252 -22.496 -8.622) 24.658 ======================= Grid point 425 (126/171) ======================= q-point: ( 0.29 0.07 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.401 ( 7.492 -7.432 2.349) 10.811 3.455 ( 9.516 -8.009 -3.227) 12.849 4.065 ( 20.064 8.436 8.515) 23.372 4.321 ( 18.227 11.766 -15.318) 26.557 4.761 ( -1.524 -0.049 5.925) 6.118 4.925 ( -0.210 0.207 -9.408) 9.413 5.740 ( -1.641 -11.571 14.350) 18.506 5.944 ( -0.573 -17.738 -5.037) 18.448 6.424 ( 8.274 0.884 6.990) 10.867 6.574 ( 5.154 -0.513 -8.329) 9.809 7.214 ( 3.725 -2.376 13.316) 14.029 7.492 ( -0.629 -3.488 -12.523) 13.015 7.808 ( 21.008 -9.762 15.285) 27.753 8.096 ( 11.313 -9.660 -11.415) 18.751 8.715 ( 5.765 -2.020 29.572) 30.196 9.137 ( 2.090 4.660 -8.024) 9.511 9.394 ( 15.068 0.989 -6.006) 16.251 9.502 ( 19.753 -5.148 -21.785) 29.854 9.908 ( 6.999 6.051 2.990) 9.723 9.947 ( 13.379 10.689 0.042) 17.125 10.015 ( 9.500 -0.936 4.844) 10.704 10.177 ( 13.615 -0.144 -8.521) 16.062 10.417 ( -1.011 6.614 7.129) 9.777 10.587 ( -2.831 9.103 -9.356) 13.357 11.534 ( 7.416 12.977 5.578) 15.954 11.659 ( 2.144 10.594 -6.391) 12.557 12.030 ( 33.031 -10.327 10.851) 36.269 12.265 ( 31.608 -13.126 -11.852) 36.219 12.585 ( 17.229 0.874 15.473) 23.173 12.791 ( 20.937 -3.672 -3.047) 21.474 12.974 ( -13.628 1.139 9.729) 16.783 13.194 ( -2.993 -0.275 -7.013) 7.630 13.339 ( -7.865 -4.630 3.404) 9.740 13.527 ( 3.678 -0.841 -10.222) 10.896 14.201 ( -0.970 1.548 3.653) 4.084 14.253 ( -6.690 2.964 1.364) 7.444 14.797 ( 1.719 4.330 3.023) 5.554 14.887 ( -0.178 1.017 -6.216) 6.301 16.446 ( -0.638 2.347 2.557) 3.529 16.506 ( 1.061 1.888 -3.275) 3.926 19.739 ( 0.795 6.999 19.011) 20.274 20.155 ( 0.036 7.708 -21.687) 23.016 22.034 ( 4.305 6.286 12.697) 14.807 22.275 ( 4.266 10.302 -11.343) 15.905 23.176 ( 10.872 4.488 4.303) 12.524 23.269 ( 8.500 2.292 -4.815) 10.035 23.889 ( -4.168 -15.160 5.903) 16.794 23.994 ( -8.026 -19.179 -4.334) 21.238 ======================= Grid point 426 (127/171) ======================= q-point: ( 0.36 0.07 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.609 ( 7.972 -8.814 0.348) 11.890 3.674 ( 7.443 -8.106 -6.244) 12.653 4.278 ( 10.205 11.768 7.242) 17.178 4.492 ( 8.759 11.687 -12.512) 19.231 4.738 ( -0.604 0.185 5.257) 5.295 4.883 ( -2.181 2.643 -8.387) 9.060 5.828 ( 0.979 -11.150 13.736) 17.719 6.048 ( -0.942 -14.266 -6.726) 15.801 6.515 ( 1.955 1.171 8.602) 8.899 6.659 ( 2.847 -0.029 -6.139) 6.767 7.343 ( 5.505 -7.297 6.536) 11.237 7.509 ( -0.931 -6.002 -8.500) 10.447 8.254 ( 15.373 -4.514 10.184) 18.985 8.340 ( 8.646 -4.547 1.903) 9.952 8.803 ( 0.472 -8.389 23.243) 24.715 9.130 ( -1.202 -8.035 -8.011) 11.410 9.595 ( 6.082 -0.289 -0.220) 6.093 9.802 ( 10.824 1.198 -18.589) 21.544 9.933 ( 2.230 7.848 1.851) 8.366 10.041 ( 5.922 2.648 -8.762) 10.902 10.216 ( 4.737 5.785 1.603) 7.647 10.276 ( 0.273 5.353 -3.064) 6.174 10.598 ( 17.947 0.991 -0.091) 17.974 10.621 ( 16.714 5.617 -2.904) 17.870 11.378 ( -9.680 17.499 0.767) 20.013 11.432 ( -13.900 14.030 -3.750) 20.102 12.560 ( 6.384 -0.483 11.799) 13.424 12.615 ( -6.331 0.596 10.080) 11.919 12.659 ( -3.896 -4.066 12.418) 13.635 12.885 ( 9.887 -11.109 -8.541) 17.150 12.964 ( 0.607 -1.248 -4.838) 5.033 13.071 ( 2.238 -4.394 -11.731) 12.725 13.627 ( 17.103 -5.861 10.287) 20.802 13.801 ( 13.262 -7.309 -7.591) 16.939 14.154 ( -1.204 2.647 6.238) 6.882 14.229 ( 4.458 3.188 -2.618) 6.074 14.803 ( 1.704 4.442 3.161) 5.712 14.911 ( 4.127 4.243 -7.831) 9.816 16.444 ( 1.178 0.388 3.541) 3.752 16.520 ( 1.260 1.817 -3.852) 4.441 19.676 ( -2.501 4.681 18.338) 19.091 20.069 ( -3.430 5.208 -20.095) 21.040 22.044 ( 0.909 3.183 11.315) 11.789 22.259 ( 0.517 5.227 -9.911) 11.217 23.312 ( 6.115 4.255 2.766) 7.947 23.382 ( 4.750 2.991 -4.065) 6.931 23.909 ( -2.516 -10.949 5.286) 12.416 23.996 ( -3.107 -12.942 -3.267) 13.705 ======================= Grid point 427 (128/171) ======================= q-point: ( 0.43 0.07 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.804 ( 6.265 -3.856 -0.583) 7.379 3.852 ( 6.054 -2.942 -5.654) 8.790 4.305 ( 1.456 9.995 5.301) 11.407 4.494 ( -0.726 8.176 -11.392) 14.041 4.742 ( 1.212 -0.201 2.212) 2.531 4.820 ( -1.451 3.916 -5.335) 6.775 5.918 ( 0.140 -9.204 13.402) 16.259 6.104 ( -1.736 -7.641 -2.299) 8.166 6.521 ( -0.696 -2.103 5.716) 6.130 6.671 ( -0.221 2.557 -7.359) 7.794 7.461 ( -2.369 -9.933 3.332) 10.741 7.527 ( -1.831 -6.380 -3.592) 7.547 8.393 ( 3.593 1.412 11.178) 11.826 8.455 ( 0.473 2.345 6.982) 7.380 8.947 ( 5.182 -11.248 11.587) 16.960 9.217 ( -1.543 -13.410 -12.209) 18.201 9.680 ( 3.773 -3.319 9.147) 10.436 9.839 ( -3.323 6.824 6.636) 10.082 9.941 ( 5.611 8.610 -14.716) 17.949 10.030 ( -3.968 -1.087 -12.403) 13.068 10.274 ( 3.022 1.493 1.103) 3.547 10.341 ( 4.372 0.099 -6.231) 7.613 10.737 ( -5.089 16.664 2.998) 17.680 10.845 ( 2.163 11.319 -8.686) 14.431 11.033 ( -7.827 8.283 2.701) 11.712 11.128 ( -0.470 2.813 -6.386) 6.994 12.448 ( -3.120 -1.875 9.230) 9.921 12.458 ( -2.653 -1.630 9.906) 10.384 12.764 ( -1.900 -3.927 8.034) 9.142 12.947 ( 1.519 1.340 -7.089) 7.372 13.073 ( 1.763 -4.676 -1.026) 5.102 13.180 ( -1.389 -8.071 -8.269) 11.638 13.864 ( 2.628 -4.791 9.045) 10.568 13.981 ( 1.775 -4.221 -2.080) 5.029 14.138 ( -1.156 -0.424 5.145) 5.290 14.257 ( -2.410 1.704 -5.971) 6.661 14.780 ( -1.207 3.939 5.178) 6.617 14.935 ( 1.078 5.213 -9.909) 11.248 16.460 ( -0.260 -0.476 2.463) 2.522 16.512 ( -1.182 0.801 -2.561) 2.932 19.589 ( -4.490 0.056 17.720) 18.280 19.965 ( -5.129 -0.046 -18.979) 19.659 22.033 ( -0.242 1.659 10.399) 10.533 22.229 ( -0.618 2.463 -9.009) 9.360 23.335 ( -1.326 1.593 2.429) 3.193 23.403 ( -0.560 1.100 -4.345) 4.517 23.987 ( 5.458 -2.933 6.061) 8.667 24.087 ( 6.371 -3.328 -3.822) 8.141 ======================= Grid point 428 (129/171) ======================= q-point: (-0.50 0.07 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.865 ( -0.186 5.356 2.412) 5.877 3.915 ( 1.637 6.900 -3.841) 8.065 4.205 ( -4.663 7.195 1.681) 8.737 4.352 ( -8.491 5.558 -10.344) 14.491 4.773 ( 0.014 1.256 -0.465) 1.339 4.806 ( 3.174 -1.317 -2.918) 4.508 5.941 ( -3.265 -3.956 14.466) 15.348 6.121 ( -0.635 -6.000 1.228) 6.157 6.506 ( -4.203 -3.754 2.073) 6.005 6.645 ( -1.440 -0.257 -8.162) 8.292 7.389 ( -9.153 -6.879 7.791) 13.849 7.534 ( -2.308 -5.638 -6.600) 8.982 8.407 ( -1.818 4.054 9.270) 10.280 8.462 ( 3.635 3.133 4.605) 6.651 8.955 ( -9.855 -0.488 9.947) 14.011 9.192 ( -8.699 -4.688 -11.827) 15.412 9.732 ( 0.220 5.499 6.044) 8.175 9.846 ( 2.981 -7.106 4.652) 9.001 9.876 ( -1.605 11.583 -5.141) 12.774 9.999 ( -6.586 -2.760 -5.446) 8.980 10.136 ( -13.802 -1.194 -1.985) 13.995 10.239 ( -13.374 6.528 -9.665) 17.745 10.415 ( -12.674 3.555 4.638) 13.956 10.584 ( -10.051 6.814 -13.188) 17.927 11.076 ( 6.442 -1.449 8.602) 10.845 11.279 ( 12.456 1.502 -10.853) 16.589 12.481 ( 0.158 -4.441 10.367) 11.279 12.521 ( -3.303 -6.373 5.765) 9.206 12.707 ( 1.029 -1.123 14.690) 14.769 12.970 ( 0.690 0.385 -7.861) 7.901 13.079 ( -8.319 -1.354 -7.135) 11.043 13.097 ( -4.111 -4.875 -6.864) 9.369 13.732 ( -19.081 0.640 11.552) 22.315 13.928 ( -16.548 -0.580 -6.775) 17.891 14.109 ( -3.389 -0.607 2.961) 4.541 14.132 ( 1.075 -0.857 -0.607) 1.502 14.716 ( -3.115 0.121 5.814) 6.597 14.884 ( -1.804 3.418 -10.312) 11.013 16.426 ( -3.382 -0.700 2.570) 4.304 16.478 ( -2.207 -1.059 -2.475) 3.482 19.510 ( -5.958 -5.813 17.542) 19.417 19.881 ( -6.186 -6.659 -18.660) 20.756 22.003 ( -2.339 0.731 9.784) 10.087 22.188 ( -3.011 0.747 -8.428) 8.981 23.257 ( -5.857 -0.212 3.794) 6.982 23.357 ( -3.495 0.437 -6.073) 7.021 24.140 ( 10.259 4.509 7.554) 13.514 24.269 ( 12.670 5.280 -5.188) 14.674 ======================= Grid point 429 (130/171) ======================= q-point: (-0.43 0.07 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.708 ( -9.040 12.173 6.965) 16.685 3.796 ( -6.425 13.850 -2.390) 15.453 4.047 ( -6.513 8.756 -3.507) 11.462 4.112 ( -12.580 0.759 -8.198) 15.034 4.764 ( -0.273 -0.079 4.341) 4.350 4.886 ( 2.396 -2.468 -7.086) 7.876 5.886 ( -3.428 -2.086 18.078) 18.518 6.172 ( 1.336 -5.003 -3.976) 6.529 6.404 ( -9.009 -2.726 3.712) 10.118 6.577 ( -7.374 -2.340 -8.804) 11.720 7.283 ( -3.999 -0.793 13.423) 14.029 7.545 ( 0.445 -2.185 -10.775) 11.004 8.208 ( -13.619 14.604 13.747) 24.243 8.444 ( -3.116 11.372 -7.890) 14.188 8.726 ( -12.821 -2.967 13.388) 18.773 8.967 ( -13.278 -4.181 -10.011) 17.147 9.542 ( -18.616 13.173 3.409) 23.059 9.653 ( -10.815 -2.341 3.869) 11.722 9.735 ( -19.904 8.457 -10.903) 24.219 9.771 ( -14.740 -1.510 -5.671) 15.865 10.011 ( -0.077 -7.149 1.981) 7.419 10.106 ( -4.891 -12.343 -6.805) 14.919 10.226 ( -3.268 3.431 5.753) 7.453 10.415 ( -3.025 4.731 -12.876) 14.047 11.205 ( 0.838 -7.385 12.508) 14.550 11.461 ( 3.153 -1.951 -12.604) 13.138 12.209 ( -26.704 -0.604 11.448) 29.061 12.386 ( -16.493 -4.102 -1.784) 17.089 12.676 ( -20.424 1.074 9.779) 22.670 12.868 ( -5.842 0.577 0.142) 5.872 12.962 ( -6.455 2.847 6.525) 9.610 13.148 ( 0.546 -5.226 -6.984) 8.740 13.414 ( 2.047 0.053 -4.385) 4.840 13.469 ( -19.817 -2.905 -6.959) 21.203 14.159 ( 4.312 -1.554 4.865) 6.684 14.191 ( 4.415 -0.048 0.616) 4.458 14.681 ( -0.479 -2.117 7.978) 8.268 14.876 ( 3.579 1.093 -10.647) 11.286 16.365 ( -3.824 -2.402 4.046) 6.063 16.447 ( -2.057 -2.112 -3.856) 4.854 19.442 ( -8.075 -11.820 17.863) 22.891 19.821 ( -8.024 -13.369 -19.060) 24.625 21.907 ( -8.600 -1.024 8.899) 12.418 22.075 ( -10.098 -1.926 -7.637) 12.807 23.122 ( -8.218 -0.233 5.914) 10.128 23.268 ( -4.979 1.260 -8.474) 9.909 24.284 ( 9.828 10.223 10.425) 17.600 24.471 ( 14.390 11.692 -7.924) 20.163 ======================= Grid point 430 (131/171) ======================= q-point: (-0.36 0.07 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.369 ( -16.147 12.705 8.875) 22.381 3.480 ( -14.824 14.450 -0.920) 20.722 3.767 ( -14.467 8.923 -1.999) 17.114 3.901 ( -10.257 4.127 -12.478) 16.672 4.758 ( -1.358 -1.564 6.205) 6.542 4.899 ( -3.095 -0.964 -7.564) 8.230 5.874 ( 0.520 -3.641 19.124) 19.475 6.198 ( -12.635 -0.472 11.093) 16.820 6.222 ( 0.495 2.104 -12.112) 12.303 6.417 ( -9.962 -2.048 -9.758) 14.095 7.233 ( -0.508 5.553 17.998) 18.842 7.525 ( -5.850 4.177 -4.977) 8.743 7.713 ( -23.770 13.081 17.109) 32.075 8.114 ( -17.177 8.981 -16.772) 25.632 8.573 ( -6.485 -0.041 6.601) 9.254 8.840 ( -8.709 -7.515 -13.134) 17.460 9.092 ( -19.746 2.180 -1.486) 19.921 9.135 ( -27.457 6.121 -8.032) 29.256 9.391 ( -18.809 -1.254 9.969) 21.325 9.599 ( -13.724 -5.138 -6.304) 15.953 9.970 ( -6.146 -0.275 -0.801) 6.204 10.009 ( -9.468 0.747 -5.200) 10.828 10.225 ( -0.634 -3.571 4.370) 5.679 10.345 ( -7.937 -2.706 -8.178) 11.713 11.126 ( -15.668 -5.530 11.717) 20.331 11.321 ( -20.100 -4.813 -6.717) 21.732 11.631 ( -25.788 4.991 10.648) 28.343 11.887 ( -28.756 7.678 -12.752) 32.380 12.310 ( -12.111 4.036 9.685) 16.025 12.421 ( -17.130 7.622 0.227) 18.750 13.031 ( 2.479 -7.553 8.177) 11.404 13.159 ( 3.062 -7.675 -3.230) 8.872 13.519 ( 11.181 -8.316 0.307) 13.938 13.655 ( 13.523 -2.521 -12.198) 18.386 14.262 ( 5.737 -1.511 4.887) 7.686 14.316 ( 8.277 -1.015 -0.553) 8.358 14.762 ( 7.968 -1.811 11.505) 14.111 14.997 ( 9.513 2.236 -11.236) 14.891 16.321 ( -3.688 -5.480 5.900) 8.857 16.441 ( -0.648 -4.305 -5.700) 7.172 19.361 ( -11.932 -16.968 18.450) 27.761 19.754 ( -11.925 -18.971 -19.920) 29.982 21.655 ( -20.911 -5.144 7.677) 22.862 21.801 ( -22.593 -7.221 -6.772) 24.667 22.959 ( -8.265 0.674 8.495) 11.872 23.156 ( -5.043 2.551 -10.990) 12.358 24.346 ( 6.362 15.895 15.033) 22.784 24.631 ( 13.096 17.432 -12.879) 25.323 ======================= Grid point 431 (132/171) ======================= q-point: (-0.29 0.07 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.921 ( -19.978 13.828 12.927) 27.522 3.049 ( -19.122 13.605 5.584) 24.123 3.385 ( -17.267 10.347 -6.727) 21.224 3.610 ( -15.739 7.723 -21.385) 27.653 4.691 ( -8.307 -1.055 5.290) 9.905 4.792 ( -6.983 0.131 -4.222) 8.161 5.893 ( -14.402 13.647 13.414) 23.950 5.960 ( -3.709 -7.740 16.176) 18.311 6.014 ( -14.716 11.961 5.142) 19.648 6.295 ( -5.936 -5.895 -13.244) 15.665 7.090 ( -17.503 -1.283 9.017) 19.730 7.150 ( -8.440 6.269 16.960) 19.954 7.399 ( -19.340 -5.918 -3.802) 20.580 7.744 ( -13.565 9.426 -28.205) 32.686 8.377 ( -14.019 -4.240 9.998) 17.733 8.605 ( -17.936 -8.071 -7.773) 21.149 8.749 ( -7.988 14.797 -1.483) 16.881 8.794 ( -14.149 7.129 -7.932) 17.718 8.937 ( -26.249 -1.090 16.177) 30.853 9.273 ( -25.582 -10.244 -12.813) 30.391 9.761 ( -10.111 0.532 1.109) 10.185 9.850 ( -8.149 0.346 -3.900) 9.040 10.030 ( -21.224 3.286 3.329) 21.733 10.127 ( -10.064 4.189 -4.288) 11.715 10.820 ( -13.567 -5.886 7.637) 16.644 10.981 ( -16.404 -8.612 -6.899) 19.770 11.292 ( -6.806 3.489 7.534) 10.736 11.454 ( -6.488 12.122 -6.555) 15.232 12.147 ( -0.048 4.496 8.520) 9.633 12.286 ( 5.153 5.715 -5.237) 9.308 13.177 ( 5.451 -6.612 8.057) 11.762 13.313 ( 5.486 -6.055 -4.537) 9.346 13.802 ( 9.641 -11.009 0.567) 14.644 13.884 ( 6.945 -6.718 -7.372) 12.154 14.420 ( 8.970 -2.928 6.595) 11.512 14.504 ( 10.303 0.710 -1.020) 10.377 15.014 ( 16.541 -0.804 6.354) 17.738 15.168 ( 10.762 5.995 -7.857) 14.612 16.320 ( -1.135 -9.362 9.500) 13.386 16.514 ( 4.327 -8.980 -9.136) 13.522 19.216 ( -17.763 -19.793 18.610) 32.460 19.618 ( -18.568 -21.358 -20.642) 35.030 21.165 ( -37.146 -12.599 7.202) 39.880 21.305 ( -38.215 -16.156 -6.807) 42.045 22.807 ( -6.521 1.998 10.762) 12.741 23.042 ( -4.589 3.317 -12.517) 13.738 24.289 ( 2.644 22.999 20.175) 30.708 24.702 ( 10.250 24.852 -20.423) 33.761 ======================= Grid point 432 (133/171) ======================= q-point: (-0.21 0.07 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( -17.961 15.288 21.625) 32.000 2.552 ( -21.124 14.871 20.318) 32.866 3.006 ( -13.031 10.271 -21.753) 27.359 3.209 ( -17.683 10.605 -30.501) 36.817 4.451 ( -17.560 3.569 10.330) 20.683 4.601 ( -13.485 2.760 -3.684) 14.249 5.149 ( -34.389 18.208 32.508) 50.704 5.679 ( -20.720 4.042 -9.477) 23.140 5.952 ( -8.164 -5.577 7.409) 12.356 6.213 ( -9.774 -5.930 -13.244) 17.495 6.778 ( -21.742 -8.675 7.322) 24.527 6.819 ( -22.669 -7.709 -2.891) 24.118 7.189 ( 1.587 -1.107 9.479) 9.674 7.546 ( -2.004 6.136 -20.860) 21.836 8.074 ( -21.016 -2.841 9.448) 23.216 8.314 ( -22.768 2.476 -11.131) 25.464 8.416 ( -3.465 9.994 8.778) 13.745 8.533 ( -6.137 6.714 -4.708) 10.243 8.555 ( -18.497 -5.859 14.935) 24.486 8.838 ( -24.404 -9.612 -9.052) 27.747 9.571 ( -8.930 13.388 12.843) 20.589 9.763 ( -0.093 -0.498 4.758) 4.784 9.830 ( 9.021 4.883 -11.768) 15.611 9.869 ( -9.073 3.907 -6.833) 12.011 10.717 ( -2.894 -6.096 5.708) 8.838 10.865 ( -1.685 -8.445 -8.068) 11.800 11.270 ( 5.004 1.900 6.967) 8.785 11.420 ( 10.110 10.559 -6.848) 16.144 12.238 ( 9.874 1.153 9.619) 13.833 12.422 ( 10.504 2.235 -8.746) 13.850 13.282 ( 1.001 -3.427 6.128) 7.092 13.415 ( 1.770 -1.607 -6.337) 6.773 14.011 ( 1.936 -10.348 0.187) 10.529 14.041 ( 3.459 -11.402 -2.562) 12.187 14.606 ( 7.452 1.212 7.569) 10.690 14.685 ( 9.029 -1.757 1.371) 9.300 15.232 ( 5.936 6.894 4.477) 10.140 15.407 ( 17.383 1.409 -10.866) 20.548 16.479 ( 11.525 -12.821 16.469) 23.841 16.784 ( 16.038 -13.686 -13.328) 24.944 18.955 ( -24.180 -17.637 16.893) 34.367 19.326 ( -27.274 -16.947 -19.495) 37.565 20.436 ( -51.672 -22.979 6.726) 56.950 20.575 ( -55.767 -29.857 -7.369) 63.684 22.675 ( -5.375 3.284 12.842) 14.304 22.934 ( -4.241 2.688 -12.745) 13.699 24.116 ( 0.398 31.382 22.385) 38.550 24.638 ( 6.110 36.990 -29.448) 47.674 ======================= Grid point 433 (134/171) ======================= q-point: (-0.14 0.07 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( -8.487 14.119 33.238) 37.096 2.096 ( -13.183 13.634 33.789) 38.747 2.761 ( -5.432 8.496 -31.157) 32.748 2.850 ( -10.479 9.417 -36.326) 38.962 3.807 ( -31.334 23.436 46.695) 60.922 4.374 ( -6.664 -0.730 -7.399) 9.985 4.591 ( -19.997 0.082 7.587) 21.388 5.059 ( -34.821 6.628 -35.730) 50.329 5.777 ( -11.278 -4.932 8.363) 14.882 5.936 ( -18.269 -5.157 -6.740) 20.144 6.591 ( -3.419 -11.173 17.624) 21.145 6.736 ( 6.696 -6.050 2.583) 9.387 7.282 ( 3.715 -2.942 5.000) 6.889 7.534 ( -6.094 -4.997 -15.757) 17.618 7.690 ( -14.843 2.977 6.338) 16.412 7.909 ( -12.399 3.643 -11.708) 17.438 8.278 ( -6.960 1.044 -0.185) 7.040 8.300 ( -12.090 -1.485 -4.182) 12.879 8.424 ( -0.661 6.053 12.805) 14.179 8.608 ( -4.895 -1.005 -3.603) 6.160 9.322 ( -6.262 12.593 17.102) 22.141 9.610 ( -8.173 5.754 -10.329) 14.374 9.953 ( 9.480 -4.883 10.385) 14.885 10.140 ( 18.216 2.743 -10.139) 21.028 10.851 ( 14.348 -9.059 10.907) 20.172 11.032 ( 8.996 -10.105 -6.146) 14.860 11.432 ( 16.067 3.490 11.953) 20.328 11.694 ( 26.428 6.696 -11.499) 29.589 12.438 ( 8.945 -3.106 7.181) 11.884 12.616 ( 10.648 0.423 -10.093) 14.677 13.230 ( -11.252 -3.434 4.727) 12.679 13.387 ( -6.308 -0.191 -10.007) 11.830 14.005 ( -8.126 -4.376 5.905) 10.957 14.134 ( -2.541 -7.529 -5.926) 9.913 14.658 ( 1.039 3.768 9.849) 10.596 14.851 ( 4.821 -2.990 -7.274) 9.224 15.276 ( 4.102 2.741 19.464) 20.080 15.682 ( 12.562 0.832 -18.637) 22.491 16.987 ( 29.913 -12.784 19.635) 37.997 17.323 ( 27.261 -16.822 -13.117) 34.615 18.559 ( -25.438 -7.332 12.343) 29.209 18.836 ( -30.796 -6.711 -14.816) 34.828 19.589 ( -55.065 -30.000 2.138) 62.743 19.628 ( -67.669 -44.765 -2.507) 81.175 22.557 ( -3.990 3.350 15.912) 16.743 22.851 ( -2.904 0.556 -12.965) 13.297 23.859 ( -0.317 37.513 18.145) 41.672 24.369 ( 0.909 55.289 -34.391) 65.119 ======================= Grid point 434 (135/171) ======================= q-point: (-0.07 0.07 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( -0.000 9.094 41.222) 42.213 1.915 ( -0.000 9.697 40.245) 41.397 2.659 ( -0.000 5.856 -33.387) 33.896 2.698 ( -0.000 5.181 -39.153) 39.495 3.283 ( -0.000 19.933 66.129) 69.068 4.362 ( 0.000 -1.923 3.235) 3.764 4.420 ( 0.000 -1.468 -2.085) 2.550 4.529 ( -0.000 7.119 -56.571) 57.018 5.690 ( 0.000 -3.617 4.975) 6.151 5.775 ( 0.000 -2.603 -3.336) 4.231 6.696 ( 0.000 -14.522 24.606) 28.572 6.938 ( 0.000 -4.466 5.315) 6.942 7.302 ( 0.000 -0.669 0.691) 0.961 7.321 ( -0.000 1.035 -1.135) 1.536 7.601 ( 0.000 -5.084 -4.354) 6.693 7.849 ( -0.000 4.747 -23.066) 23.549 8.137 ( -0.000 0.748 3.821) 3.894 8.214 ( -0.000 1.008 -3.627) 3.765 8.373 ( -0.000 6.057 10.416) 12.049 8.560 ( -0.000 2.659 -6.702) 7.210 9.180 ( -0.000 8.153 17.547) 19.348 9.486 ( -0.000 4.782 -12.057) 12.971 10.064 ( 0.000 -2.811 10.957) 11.312 10.303 ( 0.000 -0.545 -14.152) 14.163 11.134 ( 0.000 -11.511 4.836) 12.486 11.212 ( 0.000 -7.762 -2.887) 8.282 11.844 ( 0.000 -8.904 14.936) 17.389 12.113 ( -0.000 4.392 -10.103) 11.017 12.606 ( 0.000 -7.442 8.330) 11.170 12.812 ( 0.000 -1.878 -11.141) 11.298 12.906 ( -0.000 0.143 12.636) 12.637 13.217 ( -0.000 0.089 -18.347) 18.347 13.873 ( -0.000 4.314 10.801) 11.631 14.092 ( -0.000 1.236 -10.377) 10.450 14.644 ( -0.000 1.319 12.461) 12.530 14.910 ( 0.000 -2.389 -13.461) 13.671 15.326 ( 0.000 -0.136 27.193) 27.194 15.840 ( 0.000 -0.119 -23.603) 23.603 17.513 ( 0.000 -8.148 21.547) 23.036 17.900 ( 0.000 -21.823 -13.965) 25.909 18.255 ( 0.000 -0.119 9.473) 9.474 18.427 ( 0.000 -0.082 -7.417) 7.418 19.045 ( 0.000 -39.349 8.874) 40.337 19.169 ( 0.000 -32.647 -3.169) 32.801 22.504 ( 0.000 -2.198 18.245) 18.377 22.826 ( 0.000 -2.178 -13.330) 13.507 23.578 ( -0.000 36.258 9.242) 37.417 23.900 ( -0.000 68.212 -25.844) 72.944 ======================= Grid point 437 (136/171) ======================= q-point: ( 0.14 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.124 ( 15.933 -0.000 4.565) 16.575 3.164 ( 12.557 -0.000 3.613) 13.066 3.669 ( 27.674 -0.000 8.059) 28.824 4.014 ( 28.037 -0.000 -22.725) 36.091 4.780 ( -0.139 0.000 3.118) 3.121 4.837 ( 5.977 -0.000 -1.713) 6.218 5.670 ( 5.874 -0.000 8.827) 10.603 5.723 ( -10.762 0.000 4.683) 11.737 6.262 ( 9.228 -0.000 7.730) 12.038 6.481 ( 5.029 -0.000 -11.653) 12.692 7.071 ( 11.440 -0.000 21.657) 24.493 7.437 ( 2.957 -0.000 8.838) 9.319 7.443 ( 3.169 -0.000 -14.836) 15.170 7.752 ( 9.742 -0.000 -20.763) 22.935 8.554 ( 9.811 -0.000 27.177) 28.894 8.959 ( 28.779 -0.000 -9.827) 30.410 9.071 ( 21.771 -0.000 -3.552) 22.058 9.126 ( 6.933 -0.000 -12.853) 14.603 9.515 ( 26.567 -0.000 14.205) 30.126 9.849 ( 16.471 -0.000 -16.336) 23.198 9.947 ( 3.017 -0.000 5.287) 6.088 10.057 ( 2.270 -0.000 -4.179) 4.756 10.448 ( 20.078 -0.000 10.258) 22.546 10.694 ( 18.066 -0.000 -13.571) 22.596 11.103 ( 26.873 -0.000 3.408) 27.088 11.211 ( 23.661 -0.000 -5.656) 24.327 11.598 ( 14.309 -0.000 10.046) 17.483 11.799 ( 13.607 -0.000 -8.778) 16.193 12.124 ( 25.900 -0.000 5.319) 26.440 12.156 ( 19.166 -0.000 2.012) 19.272 13.194 ( -4.266 0.000 6.442) 7.727 13.232 ( -8.480 0.000 2.839) 8.942 13.687 ( -14.920 0.000 -4.860) 15.692 13.693 ( -21.245 0.000 -5.982) 22.071 14.294 ( -6.263 0.000 10.029) 11.824 14.491 ( -12.015 0.000 -6.857) 13.834 14.869 ( -2.506 0.000 2.320) 3.415 14.893 ( -3.586 0.000 -1.291) 3.812 16.517 ( 0.007 -0.000 1.365) 1.365 16.560 ( -6.368 0.000 -2.713) 6.921 19.776 ( 5.685 -0.000 18.885) 19.722 20.202 ( 6.259 -0.000 -22.994) 23.831 22.032 ( 9.478 -0.000 16.539) 19.062 22.354 ( 9.229 -0.000 -15.618) 18.141 23.064 ( 11.252 -0.000 3.178) 11.692 23.119 ( 6.748 -0.000 -1.904) 7.012 23.654 ( 4.261 -0.000 5.740) 7.149 23.779 ( -1.960 0.000 -6.437) 6.728 ======================= Grid point 438 (137/171) ======================= q-point: ( 0.21 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.327 ( 6.316 -2.602 1.257) 6.945 3.375 ( 9.896 -2.808 -3.457) 10.852 4.183 ( 24.960 5.494 10.374) 27.582 4.468 ( 19.540 6.272 -17.245) 26.806 4.769 ( 0.467 0.956 5.937) 6.031 4.925 ( 2.218 -0.130 -9.000) 9.271 5.581 ( -4.924 -7.449 12.310) 15.208 5.720 ( -2.034 -9.667 -1.398) 9.978 6.436 ( 8.410 0.479 4.192) 9.409 6.569 ( 4.701 -0.152 -8.426) 9.650 7.191 ( 1.033 -0.810 13.595) 13.658 7.453 ( -1.747 -1.452 -11.867) 12.083 7.708 ( 22.310 -3.547 15.573) 27.438 7.997 ( 14.025 -3.538 -11.047) 18.201 8.692 ( 3.177 -0.870 31.352) 31.525 9.186 ( -1.619 1.797 -9.251) 9.562 9.412 ( 14.545 0.979 -7.587) 16.434 9.451 ( 20.074 -1.824 -20.563) 28.795 9.971 ( 13.078 2.954 4.680) 14.201 10.002 ( 10.363 -1.170 5.051) 11.588 10.082 ( 9.910 6.476 -3.685) 12.398 10.161 ( 16.015 -2.130 -7.263) 17.714 10.503 ( -5.067 3.922 8.392) 10.558 10.677 ( -7.358 2.985 -8.027) 11.291 11.712 ( 12.025 10.362 6.277) 17.070 11.823 ( 7.776 9.081 -3.783) 12.539 11.890 ( 37.470 -5.266 4.286) 38.080 12.051 ( 27.975 -14.952 -9.210) 33.030 12.626 ( 18.723 3.993 9.937) 21.569 12.724 ( 22.622 -4.879 1.490) 23.190 12.987 ( -15.792 0.513 8.816) 18.093 13.186 ( 1.506 -0.615 -1.641) 2.310 13.286 ( -14.245 -1.947 0.257) 14.380 13.509 ( -0.136 -0.923 -12.274) 12.310 14.219 ( -0.391 0.711 4.698) 4.767 14.285 ( -7.739 1.174 1.243) 7.926 14.845 ( 0.887 1.962 1.451) 2.596 14.897 ( 2.629 0.280 -4.711) 5.402 16.470 ( -2.538 0.831 2.280) 3.512 16.528 ( 1.262 0.875 -3.361) 3.695 19.809 ( -0.765 2.419 19.163) 19.331 20.231 ( -1.541 2.610 -22.216) 22.422 22.109 ( 1.530 3.076 14.836) 15.228 22.402 ( -0.015 5.361 -14.530) 15.487 23.267 ( 12.667 7.139 3.013) 14.849 23.313 ( 11.888 2.103 -1.448) 12.159 23.697 ( -3.004 -8.790 2.598) 9.646 23.742 ( -5.923 -12.489 -1.765) 13.935 ======================= Grid point 439 (138/171) ======================= q-point: ( 0.29 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.506 ( 9.865 -5.005 -0.674) 11.083 3.577 ( 8.998 -4.716 -7.473) 12.611 4.471 ( 11.831 12.433 6.765) 18.448 4.625 ( 2.535 3.726 -6.572) 7.969 4.806 ( 6.205 10.378 1.884) 12.238 4.930 ( 0.505 3.994 -8.430) 9.342 5.630 ( -0.217 -14.426 10.845) 18.049 5.787 ( -1.676 -18.534 -4.040) 19.043 6.549 ( 3.893 2.823 5.909) 7.618 6.661 ( 4.452 0.155 -5.439) 7.031 7.231 ( 0.854 -6.993 8.091) 10.728 7.428 ( -2.664 -4.271 -10.245) 11.414 8.192 ( 22.717 -3.657 10.158) 25.152 8.288 ( 12.428 -2.286 1.605) 12.738 8.696 ( -3.637 -5.561 26.224) 27.053 9.046 ( -10.400 -3.306 -6.737) 12.825 9.594 ( 4.707 -0.106 -3.203) 5.695 9.772 ( 12.163 -2.214 -22.485) 25.660 10.092 ( 7.642 3.565 -1.112) 8.505 10.111 ( 6.653 11.308 -1.846) 13.249 10.296 ( 1.683 5.033 1.814) 5.608 10.344 ( -2.879 3.389 -1.135) 4.589 10.596 ( 21.243 -0.900 0.438) 21.266 10.653 ( 13.726 -0.485 -4.507) 14.455 11.631 ( -8.466 15.569 1.359) 17.774 11.672 ( -10.612 16.079 -2.227) 19.394 12.494 ( 17.957 -6.510 7.317) 20.454 12.614 ( -8.260 -2.670 6.392) 10.781 12.628 ( -13.997 0.208 13.253) 19.277 12.690 ( 11.824 -12.728 -2.072) 17.496 12.955 ( 0.863 -0.270 -3.794) 3.900 13.016 ( -1.215 -2.824 -12.364) 12.740 13.558 ( 17.587 -3.094 7.506) 19.371 13.702 ( 11.812 -5.549 -8.019) 15.317 14.186 ( -2.135 1.531 7.011) 7.487 14.264 ( 4.226 1.592 -2.253) 5.047 14.858 ( 1.894 2.836 3.593) 4.954 14.971 ( 5.689 3.295 -7.713) 10.135 16.448 ( 0.259 0.149 4.429) 4.439 16.545 ( 0.924 1.371 -5.000) 5.266 19.730 ( -5.175 2.558 18.519) 19.398 20.129 ( -6.463 2.799 -20.494) 21.671 22.091 ( -0.530 2.689 12.634) 12.928 22.337 ( -2.053 4.594 -11.756) 12.788 23.401 ( 5.468 7.961 2.322) 9.933 23.452 ( 4.333 6.705 -2.712) 8.431 23.735 ( 1.508 -12.368 3.833) 13.036 23.794 ( 2.656 -13.800 -1.953) 14.188 ======================= Grid point 440 (139/171) ======================= q-point: ( 0.36 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.752 ( 11.347 -2.871 -2.842) 12.045 3.795 ( 10.106 -4.003 -7.058) 12.961 4.494 ( 1.946 14.053 4.625) 14.922 4.597 ( -2.032 3.684 -4.217) 5.957 4.805 ( 2.197 10.271 1.189) 10.570 4.892 ( -0.421 6.350 -6.612) 9.177 5.736 ( -0.519 -14.943 10.840) 18.467 5.902 ( -1.490 -18.909 -5.014) 19.619 6.538 ( -1.731 4.440 10.434) 11.471 6.713 ( 1.545 3.032 -6.927) 7.717 7.280 ( -5.383 -13.526 5.511) 15.566 7.417 ( -2.981 -7.630 -8.067) 11.497 8.422 ( 4.421 2.518 11.691) 12.750 8.490 ( 1.078 2.180 6.971) 7.383 8.769 ( 8.760 -11.642 11.035) 18.278 9.000 ( -0.141 -14.090 -8.452) 16.431 9.627 ( -0.861 -3.084 6.373) 7.132 9.891 ( -2.835 -0.581 -12.390) 12.723 10.059 ( -0.376 9.797 -4.047) 10.607 10.116 ( -1.484 7.830 -4.286) 9.049 10.301 ( 2.986 1.557 0.325) 3.383 10.364 ( 5.497 3.545 -5.339) 8.443 10.917 ( 9.813 4.918 1.515) 11.080 10.970 ( 12.581 5.862 -4.234) 14.511 11.236 ( -15.261 15.196 -0.716) 21.548 11.262 ( -15.057 17.765 -4.056) 23.638 12.413 ( -6.179 -2.989 9.138) 11.429 12.423 ( -4.648 -2.526 8.336) 9.873 12.690 ( -1.463 -5.686 10.605) 12.122 12.914 ( -0.547 -10.258 -8.969) 13.637 13.007 ( 2.402 -1.259 -2.034) 3.390 13.050 ( -1.372 -6.881 -7.912) 10.574 13.805 ( 5.483 -2.723 6.707) 9.082 13.904 ( 4.423 -5.412 -3.868) 7.988 14.140 ( -3.048 0.401 8.104) 8.667 14.274 ( -3.733 0.686 -5.560) 6.732 14.844 ( -1.777 4.154 6.714) 8.092 15.019 ( 1.618 5.436 -10.211) 11.680 16.452 ( -0.639 -0.553 3.455) 3.557 16.526 ( -2.174 0.981 -3.708) 4.408 19.590 ( -8.053 0.065 17.636) 19.388 19.964 ( -9.174 -0.055 -18.891) 21.001 22.062 ( -0.635 2.085 10.999) 11.213 22.274 ( -1.575 3.134 -9.836) 10.443 23.367 ( -3.571 2.589 2.055) 4.866 23.426 ( -2.026 1.825 -3.762) 4.646 23.932 ( 11.137 -4.222 5.730) 13.217 24.025 ( 12.862 -4.717 -3.466) 14.131 ======================= Grid point 441 (140/171) ======================= q-point: (-0.57 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.931 ( 6.583 3.713 -1.042) 7.629 3.979 ( 6.796 2.302 -5.531) 9.060 4.369 ( -3.593 14.327 3.414) 15.160 4.478 ( -5.943 9.150 -6.469) 12.685 4.783 ( 0.958 2.532 0.830) 2.832 4.837 ( -0.227 4.665 -3.888) 6.077 5.818 ( -1.816 -12.338 11.688) 17.092 5.987 ( -2.038 -13.193 -2.895) 13.659 6.438 ( -7.547 -2.939 10.755) 13.463 6.660 ( -5.243 1.951 -9.685) 11.184 7.231 ( -8.227 -13.622 9.391) 18.478 7.425 ( -2.053 -8.599 -10.057) 13.390 8.433 ( -2.474 -0.173 9.259) 9.586 8.496 ( 4.881 1.344 4.402) 6.709 8.925 ( -5.139 -3.019 5.860) 8.359 9.115 ( 1.345 -6.198 -10.420) 12.198 9.676 ( 1.343 -10.950 7.941) 13.593 9.782 ( -5.034 -0.899 2.479) 5.683 9.959 ( -4.656 2.632 -5.905) 7.967 9.971 ( -12.804 -1.314 -5.030) 13.819 10.283 ( -3.864 10.701 -0.847) 11.408 10.325 ( -6.626 11.508 -4.007) 13.871 10.585 ( -18.115 18.122 4.368) 25.993 10.769 ( -13.175 15.771 -15.307) 25.624 11.102 ( 5.023 4.349 10.073) 12.067 11.319 ( 12.577 3.337 -11.617) 17.443 12.386 ( -6.370 -8.803 7.890) 13.428 12.431 ( -4.280 -5.116 4.188) 7.876 12.674 ( 3.311 -3.329 15.974) 16.650 12.913 ( -13.591 -15.421 0.077) 20.555 12.972 ( -0.128 -1.130 -10.263) 10.326 13.069 ( -0.166 -2.085 -11.179) 11.373 13.746 ( -14.725 1.575 9.506) 17.598 13.900 ( -13.565 -2.454 -5.129) 14.708 14.088 ( -1.071 -1.401 4.539) 4.869 14.142 ( -2.620 0.815 -1.701) 3.229 14.739 ( -4.953 2.606 8.577) 10.242 14.953 ( -2.960 5.414 -11.772) 13.292 16.416 ( -3.685 -0.671 2.384) 4.440 16.464 ( -3.414 -0.772 -2.311) 4.194 19.432 ( -10.010 -4.585 17.096) 20.335 19.792 ( -10.700 -5.269 -17.956) 21.556 22.025 ( -2.334 1.906 9.846) 10.297 22.214 ( -3.319 2.380 -8.739) 9.646 23.260 ( -6.210 0.487 4.043) 7.426 23.366 ( -3.281 0.711 -6.452) 7.273 24.184 ( 13.656 1.786 7.979) 15.916 24.321 ( 16.478 2.053 -5.491) 17.490 ======================= Grid point 442 (141/171) ======================= q-point: (-0.50 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.898 ( -4.047 13.576 4.076) 14.741 3.985 ( -2.547 10.674 -4.320) 11.793 4.175 ( -6.011 11.131 0.035) 12.650 4.246 ( -8.180 14.188 -7.130) 17.862 4.766 ( -1.534 0.461 2.932) 3.341 4.853 ( 2.061 -1.348 -4.921) 5.503 5.822 ( -4.797 -6.460 16.107) 18.005 6.045 ( -0.499 -11.271 0.179) 11.283 6.314 ( -10.278 -9.576 3.429) 14.460 6.507 ( -11.313 -6.782 -10.149) 16.643 7.220 ( -0.938 -7.405 13.112) 15.087 7.483 ( 2.145 -5.918 -12.053) 13.598 8.355 ( -7.993 4.223 11.438) 14.579 8.551 ( -0.964 0.414 -7.119) 7.196 8.699 ( -12.181 2.644 12.849) 17.902 8.981 ( -13.985 6.290 -13.879) 20.682 9.608 ( -24.386 -0.981 6.406) 25.232 9.704 ( -13.457 -1.877 0.620) 13.602 9.816 ( -3.497 -7.825 1.971) 8.795 9.860 ( -5.906 2.207 2.526) 6.792 9.910 ( -14.147 14.443 -4.775) 20.773 9.974 ( -7.890 5.483 -9.851) 13.760 10.343 ( -2.158 10.006 3.665) 10.873 10.530 ( -4.454 9.135 -15.686) 18.691 11.145 ( -0.445 -0.664 15.779) 15.800 11.461 ( 1.543 1.363 -15.820) 15.954 12.135 ( -24.009 -9.365 9.791) 27.568 12.293 ( -16.854 -8.707 -3.559) 19.301 12.648 ( -17.854 -4.333 13.251) 22.653 12.827 ( 1.670 -4.856 6.199) 8.049 13.025 ( -11.382 3.022 -6.986) 13.692 13.043 ( -0.556 -7.231 -1.001) 7.321 13.425 ( -1.337 2.006 -5.231) 5.760 13.456 ( -22.465 1.239 -5.558) 23.176 14.135 ( 3.724 -1.778 5.960) 7.249 14.192 ( 4.402 -0.169 -0.538) 4.438 14.671 ( 0.077 0.674 10.309) 10.331 14.905 ( 2.707 2.764 -11.971) 12.581 16.337 ( -4.995 -1.459 3.921) 6.516 16.414 ( -3.128 -2.310 -3.608) 5.305 19.274 ( -12.471 -10.685 17.102) 23.711 19.632 ( -12.840 -11.996 -17.661) 24.913 21.914 ( -8.924 1.545 8.294) 12.281 22.075 ( -10.778 1.447 -7.521) 13.222 23.123 ( -7.776 0.216 6.676) 10.251 23.288 ( -4.155 1.246 -9.554) 10.493 24.406 ( 12.197 6.448 11.282) 17.822 24.607 ( 16.484 6.990 -8.478) 19.810 ======================= Grid point 443 (142/171) ======================= q-point: (-0.43 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.604 ( -12.563 19.037 5.996) 23.584 3.711 ( -13.710 16.621 -3.536) 21.833 3.923 ( -11.422 12.361 -0.533) 16.838 4.025 ( -6.599 12.236 -9.384) 16.773 4.736 ( -2.129 -1.319 6.230) 6.714 4.872 ( -2.581 -2.413 -6.974) 7.818 5.783 ( -3.464 -7.803 19.994) 21.741 6.114 ( -3.294 -10.392 7.143) 13.034 6.175 ( -8.897 -7.209 -9.897) 15.135 6.361 ( -9.400 -7.358 -9.229) 15.089 7.272 ( 1.821 -1.793 16.477) 16.674 7.526 ( -3.486 -1.889 -4.170) 5.754 7.974 ( -24.259 15.536 14.511) 32.256 8.260 ( -22.892 14.652 -8.177) 28.383 8.510 ( -7.856 -7.845 2.098) 11.298 8.786 ( -8.616 -0.636 -12.930) 15.551 9.083 ( -20.885 -1.516 2.995) 21.153 9.210 ( -30.008 4.650 -10.559) 32.150 9.492 ( -11.684 13.969 4.528) 18.765 9.603 ( -14.241 5.877 -3.468) 15.791 9.928 ( -6.629 -6.946 -0.480) 9.614 9.975 ( 0.267 -4.194 -4.473) 6.137 10.250 ( -1.463 7.041 2.856) 7.738 10.363 ( -9.002 4.512 -8.755) 13.344 11.038 ( -14.217 -5.882 13.733) 20.623 11.271 ( -22.351 -2.198 -8.939) 24.172 11.660 ( -25.698 -1.883 11.330) 28.148 11.920 ( -23.650 -4.114 -13.306) 27.446 12.354 ( -12.457 2.103 15.309) 19.849 12.555 ( -14.936 10.233 -3.318) 18.406 12.903 ( 0.260 -9.213 5.899) 10.943 13.032 ( -1.273 -8.089 -5.264) 9.734 13.420 ( 10.458 -4.187 4.686) 12.201 13.626 ( 12.615 -1.247 -14.384) 19.172 14.231 ( 4.712 -2.545 5.997) 8.040 14.307 ( 8.199 -1.438 -1.626) 8.482 14.753 ( 9.099 0.858 13.583) 16.372 15.028 ( 11.222 2.014 -12.945) 17.250 16.252 ( -5.749 -3.788 6.398) 9.399 16.378 ( -2.991 -4.174 -5.829) 7.768 19.103 ( -16.416 -17.440 17.547) 29.691 19.467 ( -16.740 -19.386 -17.758) 31.167 21.620 ( -22.077 -0.071 6.144) 22.916 21.746 ( -24.039 -0.936 -6.159) 24.834 22.970 ( -7.352 0.807 9.565) 12.091 23.194 ( -4.012 2.465 -12.532) 13.387 24.545 ( 8.853 11.097 15.963) 21.362 24.839 ( 14.644 11.169 -13.027) 22.559 ======================= Grid point 444 (143/171) ======================= q-point: (-0.36 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.181 ( -15.584 21.199 8.172) 27.551 3.282 ( -17.056 17.925 1.105) 24.768 3.573 ( -14.277 14.941 -3.326) 20.932 3.751 ( -13.035 11.378 -16.423) 23.856 4.670 ( -7.196 -1.636 4.993) 8.910 4.778 ( -8.078 -1.833 -5.675) 10.041 5.811 ( -1.824 -10.811 18.395) 21.415 5.966 ( -10.938 -1.502 12.703) 16.830 6.167 ( -3.894 -8.671 -12.730) 15.887 6.203 ( -12.993 2.888 -6.836) 14.963 7.149 ( -40.752 12.678 21.713) 47.885 7.279 ( -5.083 -1.943 15.317) 16.255 7.315 ( -16.806 5.859 7.191) 19.196 7.878 ( -13.488 8.774 -31.570) 35.434 8.292 ( -19.839 -6.842 2.481) 21.132 8.446 ( -20.005 -10.799 -10.251) 24.938 8.772 ( -16.432 -4.744 5.053) 17.834 8.942 ( -6.317 4.529 -7.937) 11.109 9.099 ( -16.774 18.802 3.279) 25.410 9.198 ( -23.396 3.423 -4.337) 24.039 9.729 ( -11.663 -1.572 5.056) 12.809 9.893 ( -9.572 3.147 -11.333) 15.164 10.107 ( -11.619 5.617 3.839) 13.464 10.170 ( -5.044 1.665 -2.732) 5.973 10.736 ( -16.200 -4.757 7.752) 18.578 10.852 ( -18.065 -7.970 -3.751) 20.098 11.348 ( -6.457 2.785 10.574) 12.699 11.621 ( -4.529 7.793 -15.071) 17.561 12.201 ( -0.877 3.281 11.814) 12.293 12.370 ( 0.854 5.996 -4.658) 7.640 13.047 ( 6.084 -10.286 7.578) 14.150 13.184 ( 6.325 -10.610 -5.202) 13.403 13.645 ( 7.069 -8.732 4.121) 11.967 13.809 ( 4.682 -3.040 -11.356) 12.654 14.374 ( 8.388 -3.065 8.807) 12.542 14.526 ( 12.740 0.700 -5.387) 13.850 15.007 ( 17.837 0.255 12.241) 21.634 15.256 ( 13.785 5.690 -11.280) 18.698 16.191 ( -4.073 -7.962 9.629) 13.141 16.384 ( 0.147 -8.343 -9.099) 12.346 18.893 ( -21.306 -23.289 17.996) 36.334 19.263 ( -22.202 -25.712 -17.878) 38.388 21.050 ( -38.851 -3.517 4.805) 39.305 21.157 ( -39.809 -5.046 -5.581) 40.513 22.839 ( -5.266 2.136 11.484) 12.813 23.099 ( -3.489 4.073 -14.296) 15.269 24.582 ( 5.739 16.688 21.531) 27.839 25.000 ( 12.391 15.870 -19.572) 28.079 ======================= Grid point 445 (144/171) ======================= q-point: (-0.29 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.720 ( -15.064 22.346 15.518) 31.098 2.805 ( -18.081 19.492 14.667) 30.364 3.201 ( -11.472 15.890 -16.948) 25.910 3.380 ( -15.641 12.483 -26.300) 33.048 4.471 ( -12.737 0.009 6.616) 14.353 4.613 ( -11.185 -1.386 -6.872) 13.201 5.524 ( -37.242 30.087 24.793) 53.916 5.726 ( -15.435 1.045 10.805) 18.870 5.852 ( -8.271 -7.695 6.612) 13.090 6.117 ( -10.658 -6.861 -13.092) 18.223 6.562 ( -23.277 -15.663 6.242) 28.742 6.745 ( -29.208 -5.144 -10.018) 31.304 7.226 ( -0.196 5.390 15.351) 16.271 7.626 ( -6.927 4.543 -21.003) 22.577 7.985 ( -19.116 -7.861 8.173) 22.226 8.214 ( -16.968 -12.175 -13.690) 24.971 8.486 ( -14.245 -3.264 11.017) 18.301 8.584 ( -19.776 8.154 3.091) 21.613 8.691 ( -12.529 10.246 1.364) 16.242 8.770 ( -15.423 4.940 -3.128) 16.494 9.661 ( -0.217 -5.321 4.890) 7.230 9.739 ( -6.071 -0.687 -0.968) 6.186 9.891 ( -1.933 12.251 3.566) 12.906 10.069 ( 4.983 15.131 -12.375) 20.172 10.608 ( -3.318 -7.642 4.239) 9.348 10.715 ( -4.065 -10.523 -6.438) 12.988 11.333 ( 6.878 5.332 10.985) 14.015 11.603 ( 9.788 12.398 -14.234) 21.263 12.257 ( 7.459 1.492 11.096) 13.453 12.441 ( 7.556 0.514 -7.232) 10.472 13.206 ( 2.024 -7.074 7.172) 10.275 13.350 ( 3.071 -7.021 -5.934) 9.692 13.819 ( 1.954 -14.445 -0.212) 14.578 13.879 ( -0.917 -9.242 -6.013) 11.064 14.578 ( 9.523 -2.855 11.101) 14.901 14.723 ( 9.184 4.165 -1.149) 10.150 15.328 ( 9.218 5.920 2.944) 11.344 15.453 ( 15.774 4.997 -7.665) 18.235 16.290 ( 9.612 -12.115 14.722) 21.352 16.580 ( 13.471 -13.601 -13.189) 23.247 18.630 ( -24.623 -25.487 17.272) 39.424 18.984 ( -27.564 -27.895 -17.139) 42.798 20.201 ( -53.677 -8.671 4.443) 54.554 20.301 ( -54.783 -9.561 -5.291) 55.863 22.732 ( -3.699 3.978 12.090) 13.255 22.999 ( -3.186 5.561 -14.385) 15.748 24.523 ( 3.588 23.560 26.236) 35.444 25.074 ( 9.756 22.704 -28.015) 37.357 ======================= Grid point 446 (145/171) ======================= q-point: (-0.21 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( -9.194 19.606 27.789) 35.230 2.352 ( -11.640 21.301 27.206) 36.461 2.926 ( -5.695 13.726 -27.088) 30.897 3.020 ( -10.609 13.294 -34.194) 38.190 4.179 ( -14.987 20.363 19.962) 32.214 4.377 ( -8.815 1.838 -2.133) 9.254 4.643 ( -28.633 12.366 19.582) 36.827 5.206 ( -30.776 13.100 -24.905) 41.702 5.686 ( -12.135 -7.188 8.096) 16.262 5.839 ( -16.710 -7.876 -6.095) 19.453 6.390 ( -6.721 -16.003 15.701) 23.405 6.613 ( 3.729 -11.464 -5.434) 13.223 7.242 ( 3.186 -1.698 7.204) 8.058 7.488 ( -9.227 -1.389 -11.443) 14.766 7.681 ( -16.057 -4.079 4.702) 17.222 7.917 ( -14.450 -2.698 -14.906) 20.935 8.269 ( -10.651 -1.361 0.294) 10.742 8.295 ( -6.083 1.597 -0.575) 6.316 8.523 ( -0.488 6.297 12.427) 13.939 8.603 ( -1.922 0.264 6.706) 6.981 9.550 ( -5.389 15.232 9.303) 18.644 9.660 ( -4.850 -0.163 -1.773) 5.166 9.902 ( 7.405 0.071 12.048) 14.142 10.210 ( 12.716 7.542 -16.995) 22.526 10.696 ( 6.012 -10.823 4.657) 13.227 10.841 ( 6.396 -14.257 -8.796) 17.932 11.516 ( 17.325 6.707 12.625) 22.461 11.826 ( 22.801 9.995 -15.837) 29.506 12.410 ( 7.470 -0.881 9.868) 12.408 12.603 ( 8.099 -1.991 -9.192) 12.412 13.175 ( -11.151 -4.169 6.206) 13.426 13.362 ( -6.630 -2.869 -11.422) 13.515 13.875 ( -4.980 -12.723 3.018) 13.992 13.966 ( -1.164 -15.271 -5.515) 16.278 14.707 ( 2.018 2.241 9.880) 10.330 14.839 ( 5.934 2.161 -0.806) 6.366 15.325 ( -0.227 3.788 16.964) 17.384 15.707 ( 11.523 2.502 -18.877) 22.257 16.788 ( 30.456 -12.816 16.999) 37.159 17.085 ( 26.340 -14.204 -11.516) 32.065 18.360 ( -19.032 -20.020 13.147) 30.592 18.634 ( -26.567 -21.990 -13.452) 37.018 19.176 ( -60.628 -15.585 4.153) 62.737 19.261 ( -57.985 -12.969 -3.772) 59.537 22.636 ( -2.412 6.069 12.690) 14.272 22.903 ( -2.194 5.877 -13.634) 15.008 24.373 ( 1.678 31.006 27.650) 41.578 25.019 ( 5.433 33.430 -36.761) 49.984 ======================= Grid point 447 (146/171) ======================= q-point: (-0.14 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( -0.000 17.727 34.702) 38.968 2.114 ( -0.000 16.914 35.571) 39.387 2.783 ( -0.000 10.738 -30.050) 31.911 2.821 ( -0.000 11.406 -37.828) 39.511 3.712 ( -0.000 37.791 51.386) 63.786 4.324 ( 0.000 -3.109 2.644) 4.081 4.387 ( 0.000 -2.955 -3.059) 4.253 4.695 ( -0.000 15.724 -43.951) 46.679 5.612 ( 0.000 -6.913 6.349) 9.386 5.717 ( 0.000 -5.283 -3.981) 6.615 6.468 ( 0.000 -16.309 24.096) 29.096 6.807 ( 0.000 -12.989 -6.252) 14.416 7.286 ( 0.000 -1.351 2.519) 2.859 7.346 ( -0.000 2.187 -3.278) 3.941 7.517 ( 0.000 -6.513 4.253) 7.779 7.848 ( 0.000 -3.924 -23.612) 23.936 8.153 ( -0.000 1.352 4.191) 4.403 8.234 ( -0.000 1.678 -3.730) 4.090 8.479 ( -0.000 6.997 12.345) 14.189 8.593 ( -0.000 0.957 4.574) 4.673 9.371 ( -0.000 17.110 12.874) 21.412 9.573 ( -0.000 5.728 -6.919) 8.983 10.009 ( 0.000 -4.006 14.520) 15.062 10.303 ( -0.000 1.044 -15.597) 15.632 10.905 ( 0.000 -17.397 5.797) 18.337 11.040 ( 0.000 -14.862 -6.784) 16.337 11.780 ( 0.000 -0.473 14.725) 14.733 12.164 ( -0.000 2.842 -21.950) 22.134 12.530 ( 0.000 -2.909 11.824) 12.176 12.754 ( 0.000 -5.060 -10.485) 11.642 12.909 ( -0.000 0.257 12.589) 12.591 13.219 ( -0.000 0.161 -18.285) 18.286 13.880 ( 0.000 -5.411 7.546) 9.286 14.036 ( 0.000 -9.700 -7.715) 12.394 14.682 ( -0.000 3.810 10.805) 11.457 14.886 ( -0.000 0.279 -8.300) 8.305 15.323 ( 0.000 -0.245 27.201) 27.202 15.837 ( 0.000 -0.214 -23.631) 23.632 17.348 ( 0.000 -13.552 18.003) 22.533 17.570 ( 0.000 -17.805 -0.546) 17.813 18.252 ( 0.000 -0.214 9.517) 9.519 18.425 ( 0.000 -0.148 -7.449) 7.450 18.547 ( 0.000 -27.784 2.059) 27.860 18.648 ( 0.000 -34.811 -5.820) 35.294 22.561 ( -0.000 6.854 14.323) 15.878 22.842 ( -0.000 4.185 -13.260) 13.905 24.137 ( -0.000 36.698 24.382) 44.060 24.773 ( -0.000 47.317 -40.425) 62.234 ======================= Grid point 452 (147/171) ======================= q-point: ( 0.21 0.21 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.468 ( 10.493 -0.000 -0.995) 10.540 3.542 ( 9.438 -0.000 -7.874) 12.291 4.574 ( 11.522 -0.000 4.362) 12.321 4.641 ( -0.102 0.000 -1.595) 1.599 4.924 ( 10.150 -0.000 -2.218) 10.390 4.977 ( 4.142 -0.000 -6.448) 7.663 5.492 ( -1.517 0.000 9.640) 9.759 5.618 ( -3.692 0.000 -2.408) 4.408 6.575 ( 5.726 -0.000 3.237) 6.578 6.662 ( 4.968 -0.000 -4.980) 7.035 7.173 ( -1.864 0.000 10.014) 10.186 7.395 ( -3.343 0.000 -11.113) 11.605 8.162 ( 24.392 -0.000 10.444) 26.534 8.272 ( 14.612 -0.000 0.654) 14.627 8.654 ( -5.473 0.000 27.828) 28.362 9.024 ( -13.360 0.000 -6.765) 14.975 9.593 ( 3.997 -0.000 -4.005) 5.659 9.756 ( 12.425 -0.000 -22.571) 25.765 10.119 ( 8.101 -0.000 1.454) 8.230 10.202 ( 10.950 -0.000 -5.794) 12.388 10.352 ( -0.681 0.000 1.083) 1.280 10.361 ( -6.437 0.000 1.769) 6.676 10.584 ( 22.840 -0.000 0.351) 22.843 10.642 ( 13.055 -0.000 -4.162) 13.702 11.771 ( -7.507 0.000 2.368) 7.871 11.807 ( -10.354 0.000 -1.008) 10.402 12.457 ( 17.552 -0.000 0.139) 17.553 12.505 ( 15.706 -0.000 -4.005) 16.208 12.631 ( -13.063 0.000 11.193) 17.202 12.633 ( -13.690 0.000 14.852) 20.199 12.953 ( 4.297 -0.000 -1.400) 4.520 12.994 ( -3.414 0.000 -13.248) 13.681 13.537 ( 18.318 -0.000 5.679) 19.178 13.657 ( 11.262 -0.000 -8.175) 13.916 14.197 ( -2.526 0.000 7.260) 7.687 14.276 ( 3.998 -0.000 -2.046) 4.491 14.880 ( 2.053 -0.000 3.884) 4.393 14.996 ( 6.172 -0.000 -7.763) 9.918 16.449 ( -0.073 0.000 4.851) 4.852 16.556 ( 0.763 -0.000 -5.522) 5.575 19.749 ( -6.105 0.000 18.571) 19.549 20.149 ( -7.508 0.000 -20.623) 21.947 22.112 ( -1.238 0.000 13.251) 13.309 22.374 ( -3.400 0.000 -12.727) 13.174 23.523 ( -1.285 0.000 0.575) 1.408 23.550 ( 1.144 -0.000 -1.674) 2.027 23.579 ( 7.057 -0.000 4.477) 8.357 23.640 ( 10.716 -0.000 -1.445) 10.813 ======================= Grid point 453 (148/171) ======================= q-point: ( 0.29 0.21 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.724 ( 14.687 -0.915 -4.586) 15.413 3.750 ( 11.551 -1.808 -7.018) 13.636 4.616 ( -1.906 0.157 1.954) 2.735 4.653 ( 1.310 5.743 -1.225) 6.016 4.991 ( 1.654 11.010 0.126) 11.134 5.021 ( 2.193 9.693 -3.306) 10.474 5.519 ( -0.783 -11.736 7.295) 13.841 5.619 ( -2.080 -15.516 -2.324) 15.826 6.622 ( -0.135 5.077 7.285) 8.881 6.749 ( 3.759 1.308 -4.938) 6.342 7.108 ( -8.639 -7.920 9.241) 14.925 7.329 ( -4.682 -3.579 -12.029) 13.395 8.463 ( 3.485 2.700 10.707) 11.579 8.512 ( 1.393 0.455 9.969) 10.077 8.636 ( 12.286 -5.399 9.261) 16.305 8.844 ( -1.780 -6.049 -6.533) 9.079 9.597 ( -2.680 -0.989 4.255) 5.125 9.879 ( -0.669 -0.496 -20.134) 20.151 10.171 ( -8.656 4.150 2.211) 9.851 10.193 ( -5.071 2.494 0.970) 5.734 10.314 ( 5.726 0.450 0.483) 5.764 10.428 ( 9.586 3.419 -8.638) 13.349 10.953 ( 13.575 1.018 0.921) 13.644 11.004 ( 19.209 0.349 -4.283) 19.684 11.457 ( -18.678 11.208 0.435) 21.787 11.483 ( -18.403 8.555 -2.122) 20.405 12.375 ( -7.305 -0.980 7.485) 10.505 12.391 ( -5.623 -2.050 6.273) 8.670 12.625 ( -1.168 -2.065 8.197) 8.533 12.724 ( -2.599 -10.641 -0.799) 10.983 12.992 ( -0.280 -1.711 -8.766) 8.936 13.011 ( 2.164 0.441 -5.275) 5.719 13.786 ( 7.139 -0.187 4.007) 8.189 13.840 ( 6.226 -2.717 -2.985) 7.420 14.145 ( -3.872 0.188 8.795) 9.612 14.280 ( -4.512 0.138 -5.203) 6.888 14.889 ( -1.952 1.651 7.760) 8.171 15.078 ( 1.848 2.157 -10.452) 10.831 16.446 ( -0.932 -0.242 4.251) 4.358 16.537 ( -2.793 0.440 -4.603) 5.403 19.591 ( -10.006 0.027 17.573) 20.222 19.964 ( -11.375 -0.023 -18.825) 21.995 22.086 ( -0.993 0.933 11.491) 11.571 22.310 ( -2.436 1.417 -10.544) 10.914 23.401 ( -6.493 1.516 1.641) 6.866 23.450 ( -4.104 1.054 -3.172) 5.294 23.880 ( 15.937 -2.200 5.483) 16.997 23.967 ( 18.109 -2.409 -3.171) 18.542 ======================= Grid point 454 (149/171) ======================= q-point: (-0.64 0.21 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.966 ( 10.821 1.068 -3.169) 11.326 4.005 ( 12.091 1.586 -6.659) 13.894 4.557 ( -3.336 4.121 2.025) 5.676 4.584 ( -2.161 10.021 -1.182) 10.319 4.889 ( -2.304 10.773 1.373) 11.101 4.943 ( -1.104 10.281 -3.816) 11.021 5.607 ( -0.624 -14.839 8.067) 16.902 5.732 ( -0.564 -19.693 -3.962) 20.095 6.461 ( -12.289 5.573 13.601) 19.159 6.688 ( -11.641 1.072 -8.454) 14.427 7.026 ( -4.347 -12.637 12.227) 18.113 7.302 ( -1.398 -7.264 -14.750) 16.501 8.421 ( -4.371 -0.957 8.782) 9.856 8.504 ( 2.392 0.084 2.500) 3.460 8.881 ( 3.022 -2.525 4.980) 6.349 9.013 ( 9.947 -6.660 -5.101) 13.012 9.560 ( -1.805 -4.776 6.696) 8.420 9.759 ( -11.392 -0.911 -9.815) 15.064 9.950 ( -14.566 -0.381 1.804) 14.682 9.992 ( -11.085 0.263 -1.404) 11.177 10.404 ( 3.905 7.221 2.331) 8.533 10.501 ( 3.026 8.737 -6.275) 11.174 10.885 ( -20.803 19.363 2.329) 28.515 10.988 ( -16.366 12.981 -8.841) 22.683 11.180 ( 3.153 5.001 6.758) 8.979 11.358 ( 13.024 1.372 -10.516) 16.796 12.262 ( -12.776 -6.398 5.313) 15.245 12.353 ( -8.181 -6.190 -2.126) 10.477 12.615 ( 4.404 -4.169 15.960) 17.073 12.678 ( -8.556 -13.757 7.745) 17.957 12.953 ( -4.296 -1.436 -10.118) 11.086 13.045 ( 1.428 -0.914 -13.470) 13.577 13.774 ( -10.524 1.873 6.637) 12.582 13.867 ( -10.486 -1.898 -2.526) 10.952 14.072 ( -1.229 -0.740 5.849) 6.022 14.147 ( -3.856 0.058 -2.437) 4.562 14.778 ( -6.398 2.206 10.707) 12.666 15.024 ( -4.034 3.767 -12.743) 13.887 16.407 ( -3.475 -0.544 2.400) 4.258 16.456 ( -4.844 -0.359 -2.386) 5.412 19.379 ( -12.817 -2.512 16.782) 21.266 19.731 ( -13.775 -2.882 -17.486) 22.446 22.051 ( -2.280 1.499 10.079) 10.442 22.248 ( -3.553 1.901 -9.159) 10.006 23.268 ( -6.782 0.504 4.094) 7.937 23.376 ( -3.397 0.505 -6.541) 7.388 24.199 ( 16.198 0.361 8.116) 18.121 24.337 ( 19.259 0.400 -5.553) 20.047 ======================= Grid point 455 (150/171) ======================= q-point: (-0.57 0.21 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.086 ( 3.512 10.024 -1.308) 10.701 4.110 ( 2.059 7.966 -2.829) 8.701 4.391 ( -5.804 15.889 1.639) 16.995 4.438 ( -5.486 10.555 -4.283) 12.643 4.788 ( -2.583 3.519 2.882) 5.231 4.869 ( -0.681 3.963 -4.359) 5.930 5.692 ( -1.775 -11.269 10.998) 15.845 5.857 ( -0.359 -14.499 -2.991) 14.808 6.163 ( -15.747 -7.973 11.696) 21.174 6.390 ( -18.923 -9.036 -8.287) 22.548 7.099 ( 2.459 -7.793 11.612) 14.199 7.383 ( 3.567 -7.044 -15.512) 17.406 8.359 ( -5.012 -1.914 8.358) 9.932 8.502 ( -8.348 -4.160 -5.807) 10.987 8.782 ( -5.409 6.386 13.914) 16.237 9.093 ( -8.991 6.650 -15.085) 18.778 9.517 ( -12.189 -11.779 5.819) 17.921 9.619 ( -7.996 -7.668 -3.099) 11.504 9.703 ( -3.877 -0.514 7.042) 8.056 9.832 ( -6.376 -1.790 -4.588) 8.056 10.204 ( -17.598 21.777 2.443) 28.105 10.286 ( -15.597 26.495 -4.211) 31.032 10.482 ( -1.043 8.020 3.184) 8.692 10.650 ( -8.271 6.919 -13.686) 17.424 11.168 ( -4.530 2.145 13.631) 14.523 11.470 ( -4.349 -1.630 -15.923) 16.586 11.971 ( -21.345 -10.809 6.131) 24.699 12.119 ( -21.956 -14.424 -7.946) 27.446 12.579 ( -10.065 -3.774 17.591) 20.615 12.763 ( -1.254 -3.376 8.883) 9.585 12.926 ( 2.897 -7.171 -5.293) 9.372 13.061 ( -7.097 0.951 -8.815) 11.357 13.470 ( -6.863 3.558 -2.788) 8.218 13.490 ( -19.123 2.763 -2.999) 19.553 14.109 ( 2.784 -1.604 6.070) 6.868 14.181 ( 2.952 -1.240 -1.513) 3.542 14.693 ( 0.688 1.959 12.000) 12.178 14.949 ( 0.981 2.954 -12.492) 12.873 16.323 ( -5.439 -0.447 2.887) 6.174 16.380 ( -4.232 -2.330 -2.651) 5.511 19.139 ( -16.132 -7.403 16.515) 24.244 19.481 ( -16.750 -8.225 -16.675) 25.026 21.943 ( -8.833 2.057 8.154) 12.196 22.105 ( -11.004 2.201 -7.693) 13.605 23.126 ( -7.707 0.252 7.166) 10.527 23.303 ( -3.731 0.813 -10.209) 10.900 24.477 ( 13.937 3.344 11.582) 18.428 24.682 ( 17.909 3.437 -8.597) 20.161 ======================= Grid point 456 (151/171) ======================= q-point: (-0.50 0.21 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.908 ( -8.315 21.099 1.450) 22.725 3.952 ( -9.924 15.595 -2.972) 18.722 4.132 ( -8.849 15.919 2.052) 18.328 4.228 ( -7.109 14.127 -8.420) 17.917 4.725 ( -2.821 0.058 5.491) 6.173 4.839 ( -2.975 -1.654 -5.330) 6.324 5.668 ( -5.948 -7.171 18.209) 20.455 5.925 ( -2.940 -14.203 5.562) 15.534 6.027 ( -10.160 -12.675 -4.956) 16.983 6.192 ( -9.873 -15.063 -9.292) 20.266 7.192 ( 0.332 -7.299 14.008) 15.799 7.480 ( -0.393 -4.888 -10.938) 11.987 8.074 ( -22.056 1.687 12.039) 25.184 8.364 ( -9.471 -7.651 -8.088) 14.617 8.585 ( -16.196 19.489 5.957) 26.031 8.775 ( -14.971 -1.203 -4.836) 15.779 9.117 ( -21.212 8.166 4.507) 23.172 9.299 ( -26.365 7.357 -10.094) 29.174 9.718 ( -11.034 9.177 2.360) 14.544 9.752 ( -12.596 16.366 0.203) 20.654 9.790 ( 1.123 -9.414 1.820) 9.654 9.937 ( -1.147 2.077 -10.777) 11.035 10.388 ( -3.919 10.262 -0.131) 10.986 10.442 ( -11.675 5.171 -5.766) 14.010 10.959 ( -17.781 -5.290 13.572) 22.985 11.224 ( -23.325 -6.331 -11.911) 26.944 11.578 ( -25.086 -7.492 9.006) 27.687 11.774 ( -21.979 -14.527 -9.689) 28.071 12.384 ( -8.979 2.609 16.634) 19.082 12.652 ( -12.356 -1.062 -9.100) 15.382 12.828 ( -0.327 2.623 7.985) 8.411 12.954 ( -2.821 -2.526 -3.828) 5.384 13.406 ( 9.890 2.130 5.559) 11.544 13.619 ( 13.683 0.253 -14.461) 19.910 14.184 ( 3.234 -3.886 5.952) 7.809 14.260 ( 5.045 -4.843 -1.669) 7.190 14.787 ( 10.443 3.371 13.264) 17.215 15.056 ( 11.650 1.724 -12.690) 17.313 16.211 ( -7.054 -1.786 5.474) 9.106 16.319 ( -4.599 -3.891 -4.974) 7.812 18.867 ( -20.703 -14.242 16.738) 30.192 19.206 ( -21.194 -15.546 -16.166) 30.858 21.639 ( -22.344 2.063 5.410) 23.082 21.756 ( -24.613 1.723 -6.009) 25.394 22.980 ( -6.804 0.560 10.496) 12.521 23.226 ( -3.226 1.736 -13.663) 14.146 24.674 ( 10.478 6.705 16.002) 20.269 24.965 ( 15.342 6.200 -12.603) 20.800 ======================= Grid point 457 (152/171) ======================= q-point: (-0.43 0.21 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.525 ( -12.856 24.783 2.803) 28.059 3.567 ( -14.833 20.560 -1.085) 25.375 3.811 ( -11.860 16.932 -0.641) 20.683 3.938 ( -12.427 13.724 -11.858) 21.986 4.649 ( -6.674 -1.046 4.149) 7.928 4.744 ( -8.630 -2.647 -5.203) 10.419 5.647 ( -3.065 -11.001 18.678) 21.892 5.883 ( -10.960 -9.405 10.199) 17.681 5.980 ( -4.693 -14.778 -8.579) 17.720 6.138 ( -8.407 -10.817 -11.237) 17.718 7.130 ( -17.920 -9.504 16.197) 25.958 7.362 ( -18.582 4.666 -1.791) 19.243 7.529 ( -25.196 18.559 23.709) 39.261 8.014 ( -14.294 11.593 -19.576) 26.869 8.196 ( -19.617 -5.165 0.823) 20.302 8.333 ( -26.193 -4.316 -2.491) 26.663 8.745 ( -19.810 2.623 -0.978) 20.007 8.933 ( -8.170 -0.885 -13.351) 15.678 9.321 ( -19.358 11.055 5.877) 23.054 9.393 ( -13.528 17.872 -2.347) 22.537 9.737 ( -12.115 2.322 6.745) 14.059 9.931 ( -10.300 1.831 -12.523) 16.318 10.138 ( -5.311 -0.773 0.617) 5.403 10.196 ( -8.893 1.360 -4.338) 9.988 10.673 ( -13.177 -5.192 6.658) 15.650 10.770 ( -19.803 -2.905 -2.372) 20.155 11.338 ( -4.818 -4.458 11.530) 13.268 11.622 ( -2.836 -7.940 -15.519) 17.661 12.255 ( -0.881 4.332 13.258) 13.976 12.466 ( -3.075 5.845 -7.627) 10.089 12.924 ( 6.729 -3.980 7.254) 10.665 13.046 ( 7.236 -6.696 -4.788) 10.960 13.570 ( 5.412 -1.376 8.292) 9.997 13.797 ( 4.143 1.190 -13.241) 13.925 14.318 ( 7.860 -4.961 9.118) 13.020 14.498 ( 14.469 -4.913 -8.281) 17.380 15.032 ( 18.280 3.243 15.579) 24.236 15.331 ( 17.515 4.388 -13.324) 22.440 16.093 ( -6.671 -5.161 9.110) 12.415 16.274 ( -3.093 -6.622 -8.385) 11.123 18.558 ( -25.014 -21.541 17.190) 37.219 18.897 ( -25.812 -23.150 -15.637) 38.035 21.038 ( -39.046 1.123 3.501) 39.219 21.128 ( -40.007 0.312 -5.154) 40.339 22.866 ( -4.323 1.596 12.633) 13.448 23.155 ( -2.352 3.320 -15.871) 16.384 24.782 ( 7.505 10.717 21.205) 24.916 25.179 ( 12.889 8.970 -17.895) 23.808 ======================= Grid point 458 (153/171) ======================= q-point: (-0.36 0.21 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.070 ( -15.280 24.546 9.679) 30.491 3.121 ( -14.267 23.460 8.634) 28.783 3.459 ( -10.510 18.659 -12.065) 24.580 3.573 ( -14.277 13.762 -19.991) 28.158 4.464 ( -12.189 -0.777 4.058) 12.870 4.574 ( -11.043 -3.498 -6.364) 13.217 5.659 ( -7.954 -8.085 14.876) 18.706 5.716 ( -10.553 -9.221 11.668) 18.236 5.901 ( -19.748 6.870 0.891) 20.928 6.017 ( -6.837 -7.041 -8.413) 12.926 6.432 ( -37.714 5.979 15.258) 41.120 6.684 ( -35.609 -2.479 -5.256) 36.080 7.322 ( -3.238 6.808 15.613) 17.337 7.674 ( -13.452 2.089 -14.310) 19.751 7.890 ( -16.693 -3.881 -1.861) 17.239 8.022 ( -15.003 -12.870 -11.492) 22.865 8.455 ( -10.912 -0.149 10.270) 14.985 8.624 ( -20.346 0.999 -3.897) 20.740 8.840 ( -18.087 10.835 8.747) 22.827 8.948 ( -19.339 13.970 -2.661) 24.005 9.559 ( -4.450 -7.042 6.362) 10.482 9.709 ( -5.695 -2.091 -9.382) 11.173 10.086 ( 0.818 10.271 4.350) 11.185 10.238 ( 9.637 5.774 -10.957) 15.693 10.529 ( -4.032 -1.828 3.021) 5.360 10.586 ( -5.149 -6.474 -3.816) 9.110 11.389 ( 7.791 1.367 11.896) 14.286 11.712 ( 8.122 0.299 -19.075) 20.734 12.290 ( 6.553 2.927 11.113) 13.229 12.456 ( 4.675 2.472 -5.306) 7.491 13.089 ( 4.142 -7.428 8.177) 11.798 13.234 ( 5.397 -7.487 -5.353) 10.669 13.639 ( -1.362 -9.147 3.866) 10.023 13.786 ( -5.082 -3.558 -10.348) 12.065 14.535 ( 10.575 -3.291 13.401) 17.385 14.769 ( 10.879 1.516 -7.484) 13.292 15.410 ( 16.928 5.477 5.893) 18.742 15.544 ( 9.948 6.810 -4.552) 12.887 16.141 ( 10.043 -7.868 10.690) 16.644 16.394 ( 12.543 -11.477 -12.753) 21.253 18.242 ( -25.612 -26.264 16.916) 40.397 18.565 ( -27.957 -27.674 -14.331) 41.867 20.147 ( -52.836 -0.187 3.159) 52.931 20.235 ( -52.845 -0.906 -5.213) 53.109 22.785 ( -2.556 3.150 13.059) 13.675 23.082 ( -1.909 5.386 -16.433) 17.398 24.808 ( 5.308 15.499 26.345) 31.024 25.326 ( 10.404 12.363 -24.537) 29.379 ======================= Grid point 459 (154/171) ======================= q-point: (-0.29 0.21 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.633 ( -10.283 22.714 21.983) 33.240 2.696 ( -10.888 24.599 20.146) 33.608 3.153 ( -7.277 16.774 -21.979) 28.591 3.229 ( -9.638 14.932 -29.616) 34.539 4.280 ( -5.592 -0.288 3.675) 6.698 4.388 ( -9.121 -2.136 -6.300) 11.289 5.083 ( -31.473 41.208 24.103) 57.181 5.402 ( -18.994 9.740 -1.587) 21.404 5.580 ( -14.248 -5.921 4.595) 16.099 5.725 ( -18.577 -5.392 -6.955) 20.556 6.129 ( -7.794 -19.132 13.050) 24.435 6.392 ( -1.733 -18.029 -11.790) 21.611 7.243 ( -0.375 1.723 9.895) 10.051 7.475 ( -9.262 -1.379 -4.259) 10.287 7.605 ( -14.968 -4.511 -0.142) 15.634 7.839 ( -12.116 -7.526 -18.304) 23.205 8.276 ( -9.692 2.226 3.813) 10.650 8.321 ( -5.326 1.665 0.771) 5.634 8.604 ( -5.300 5.431 12.774) 14.858 8.622 ( -3.797 2.313 11.311) 12.153 9.568 ( -2.355 -7.751 4.344) 9.192 9.674 ( -1.760 -1.834 -6.853) 7.310 10.038 ( 4.569 16.521 14.289) 22.316 10.341 ( 5.544 8.330 -14.330) 17.478 10.559 ( 2.880 -7.175 0.868) 7.781 10.651 ( 4.863 -10.834 -8.938) 14.863 11.595 ( 14.949 3.247 10.954) 18.816 11.929 ( 15.747 1.891 -20.568) 25.973 12.418 ( 7.591 2.046 9.892) 12.635 12.571 ( 6.686 -1.399 -5.293) 8.641 13.107 ( -8.664 -4.863 7.384) 12.379 13.311 ( -3.438 -3.828 -11.025) 12.166 13.668 ( -5.265 -14.460 0.417) 15.395 13.726 ( -4.528 -14.825 -4.723) 16.205 14.726 ( 6.677 0.634 12.907) 14.546 14.896 ( 5.533 4.486 -1.951) 7.385 15.383 ( -4.966 3.902 16.881) 18.024 15.749 ( 8.775 2.998 -18.687) 20.861 16.641 ( 33.318 -6.860 14.001) 36.785 16.922 ( 31.134 -7.988 -12.418) 34.458 18.014 ( -15.601 -25.318 13.264) 32.563 18.263 ( -22.651 -25.848 -10.543) 35.948 19.076 ( -56.986 -1.435 3.665) 57.122 19.173 ( -55.985 -1.155 -5.316) 56.249 22.718 ( -1.419 4.905 12.622) 13.616 23.004 ( -1.356 7.216 -15.711) 17.342 24.754 ( 2.914 20.994 29.997) 36.730 25.382 ( 6.374 17.329 -31.900) 36.858 ======================= Grid point 460 (155/171) ======================= q-point: (-0.21 0.21 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.387 ( -0.000 22.829 27.263) 35.559 2.396 ( -0.000 20.849 30.167) 36.671 2.966 ( -0.000 13.941 -25.318) 28.903 3.019 ( -0.000 15.057 -34.492) 37.635 4.274 ( 0.000 -3.470 1.374) 3.733 4.335 ( 0.000 -4.046 -3.939) 5.646 4.362 ( -0.000 49.221 32.990) 59.254 4.983 ( -0.000 22.840 -25.593) 34.302 5.490 ( 0.000 -9.663 7.910) 12.487 5.621 ( 0.000 -7.738 -5.085) 9.259 6.212 ( 0.000 -18.644 21.337) 28.334 6.563 ( 0.000 -20.014 -12.328) 23.506 7.266 ( 0.000 -1.299 5.186) 5.346 7.382 ( -0.000 2.606 -6.083) 6.618 7.422 ( 0.000 -5.649 8.630) 10.314 7.770 ( 0.000 -6.124 -23.241) 24.034 8.176 ( -0.000 1.700 4.594) 4.898 8.261 ( -0.000 1.878 -3.758) 4.201 8.548 ( -0.000 1.870 16.099) 16.207 8.595 ( -0.000 0.683 12.967) 12.985 9.565 ( -0.000 1.433 3.937) 4.190 9.637 ( -0.000 5.226 -3.473) 6.275 10.007 ( -0.000 7.056 18.325) 19.637 10.346 ( -0.000 4.590 -14.380) 15.094 10.680 ( 0.000 -12.422 2.249) 12.624 10.817 ( 0.000 -14.079 -10.315) 17.454 11.791 ( -0.000 0.767 11.661) 11.686 12.174 ( 0.000 -2.729 -25.049) 25.197 12.515 ( -0.000 0.456 9.469) 9.480 12.689 ( 0.000 -2.983 -7.513) 8.084 12.913 ( -0.000 0.322 12.520) 12.524 13.222 ( -0.000 0.201 -18.196) 18.197 13.719 ( 0.000 -14.645 4.454) 15.307 13.818 ( 0.000 -18.263 -5.271) 19.009 14.751 ( -0.000 5.302 11.551) 12.710 14.925 ( -0.000 4.252 -4.096) 5.904 15.319 ( 0.000 -0.307 27.212) 27.214 15.834 ( 0.000 -0.268 -23.671) 23.673 17.170 ( 0.000 -9.311 16.162) 18.652 17.412 ( 0.000 -5.038 -5.131) 7.191 18.181 ( 0.000 -25.913 -2.770) 26.061 18.200 ( 0.000 -22.937 -3.070) 23.142 18.249 ( 0.000 -0.266 9.580) 9.584 18.423 ( 0.000 -0.184 -7.495) 7.497 22.661 ( -0.000 6.283 12.343) 13.850 22.933 ( -0.000 7.596 -14.549) 16.412 24.606 ( -0.000 26.736 30.619) 40.649 25.292 ( -0.000 24.907 -37.416) 44.948 ======================= Grid point 467 (156/171) ======================= q-point: ( 0.29 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.972 ( 11.890 -0.000 -3.141) 12.298 4.018 ( 14.696 -0.000 -7.710) 16.596 4.574 ( -2.698 0.000 4.484) 5.233 4.668 ( -1.250 0.000 -4.704) 4.867 5.002 ( -4.283 0.000 3.476) 5.516 5.069 ( -2.351 0.000 -2.916) 3.746 5.467 ( 0.641 -0.000 4.960) 5.001 5.533 ( 0.620 -0.000 -1.581) 1.698 6.535 ( -13.055 0.000 9.322) 16.041 6.678 ( -19.633 0.000 -2.082) 19.743 6.922 ( 1.546 -0.000 11.969) 12.069 7.242 ( -0.928 0.000 -17.276) 17.301 8.413 ( -5.054 0.000 8.500) 9.889 8.504 ( 0.695 -0.000 1.447) 1.606 8.861 ( 7.335 -0.000 4.579) 8.647 8.957 ( 11.755 -0.000 -2.333) 11.984 9.527 ( -2.895 0.000 6.423) 7.045 9.754 ( -13.526 0.000 -13.885) 19.384 9.950 ( -14.167 0.000 3.760) 14.657 9.989 ( -13.150 0.000 -0.409) 13.157 10.462 ( 6.800 -0.000 2.950) 7.412 10.566 ( 3.240 -0.000 -6.141) 6.943 11.045 ( -15.055 0.000 2.076) 15.197 11.112 ( -18.643 0.000 -5.888) 19.551 11.212 ( -0.268 0.000 4.835) 4.843 11.360 ( 12.692 -0.000 -9.657) 15.948 12.235 ( -15.840 0.000 -0.356) 15.844 12.267 ( -13.054 0.000 -3.009) 13.396 12.573 ( -2.375 0.000 13.081) 13.295 12.578 ( 4.302 -0.000 15.445) 16.033 12.941 ( -4.778 0.000 -10.506) 11.541 13.039 ( 1.388 -0.000 -13.611) 13.682 13.791 ( -8.826 0.000 5.052) 10.170 13.851 ( -9.444 0.000 -0.974) 9.494 14.066 ( -1.518 0.000 6.224) 6.406 14.147 ( -4.149 0.000 -2.552) 4.870 14.795 ( -6.888 0.000 11.487) 13.394 15.053 ( -4.400 0.000 -13.095) 13.814 16.402 ( -3.343 0.000 2.481) 4.163 16.453 ( -5.469 0.000 -2.489) 6.009 19.360 ( -13.820 0.000 16.671) 21.655 19.710 ( -14.863 0.000 -17.324) 22.826 22.063 ( -2.264 0.000 10.195) 10.443 22.263 ( -3.661 0.000 -9.344) 10.035 23.272 ( -7.074 0.000 4.084) 8.169 23.380 ( -3.507 0.000 -6.536) 7.418 24.200 ( 17.175 -0.000 8.138) 19.005 24.339 ( 20.317 -0.000 -5.550) 21.061 ======================= Grid point 468 (157/171) ======================= q-point: (-0.64 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.162 ( 7.286 2.286 0.295) 7.642 4.225 ( 7.057 4.836 -6.514) 10.753 4.506 ( -3.926 1.575 3.723) 5.635 4.597 ( -3.946 7.763 -4.522) 9.812 4.870 ( -5.885 5.499 4.374) 9.165 4.962 ( -4.507 6.664 -4.156) 9.055 5.531 ( 1.993 -7.817 6.518) 10.371 5.637 ( 3.842 -12.202 -3.733) 13.326 6.138 ( -23.142 4.132 10.692) 25.826 6.249 ( -24.364 -9.587 0.219) 26.184 7.017 ( 4.669 -2.878 8.841) 10.405 7.300 ( 4.260 -3.399 -17.796) 18.612 8.334 ( -4.253 -1.055 6.850) 8.132 8.459 ( -9.721 -1.544 -5.678) 11.363 8.857 ( -4.341 3.100 14.418) 15.373 9.148 ( -1.199 1.099 -11.768) 11.880 9.383 ( -14.735 -4.675 5.688) 16.472 9.515 ( -2.580 -4.491 -6.286) 8.145 9.729 ( -5.235 1.770 5.670) 7.917 9.816 ( -6.723 -0.639 -3.301) 7.517 10.478 ( -8.706 12.585 7.118) 16.878 10.549 ( -6.505 1.683 6.712) 9.498 10.643 ( -10.831 16.689 -6.326) 20.877 10.743 ( -13.909 5.608 -13.185) 19.969 11.159 ( -11.953 -3.134 9.969) 15.877 11.387 ( -17.769 -7.616 -11.496) 22.492 11.877 ( -17.004 -1.340 -1.689) 17.140 11.931 ( -20.129 -8.872 -6.715) 22.999 12.549 ( -4.180 -0.612 16.433) 16.968 12.727 ( -0.410 -1.428 13.111) 13.195 12.845 ( 0.565 -3.181 -7.439) 8.110 13.066 ( -2.791 0.051 -11.248) 11.589 13.510 ( -11.924 1.477 -1.468) 12.105 13.524 ( -13.472 1.440 -1.230) 13.605 14.092 ( 2.105 -0.617 5.639) 6.050 14.164 ( 1.278 -0.813 -1.737) 2.305 14.717 ( 1.180 0.983 12.809) 12.901 14.982 ( -0.257 1.272 -12.630) 12.696 16.323 ( -4.976 0.459 1.338) 5.173 16.350 ( -5.506 -1.538 -1.210) 5.844 19.064 ( -18.224 -2.647 16.207) 24.532 19.397 ( -18.946 -2.921 -16.186) 25.089 21.966 ( -8.722 0.894 8.170) 11.985 22.130 ( -11.087 0.976 -7.842) 13.615 23.129 ( -7.765 0.103 7.387) 10.718 23.311 ( -3.570 0.274 -10.507) 11.100 24.508 ( 14.883 1.007 11.642) 18.922 24.713 ( 18.662 0.996 -8.575) 20.563 ======================= Grid point 469 (158/171) ======================= q-point: (-0.57 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.146 ( -4.932 10.177 1.964) 11.478 4.181 ( -4.241 14.397 -2.864) 15.280 4.361 ( -8.590 12.170 -1.116) 14.938 4.408 ( -7.020 10.488 -5.184) 13.644 4.741 ( -4.427 1.929 4.789) 6.801 4.836 ( -5.355 1.541 -4.217) 6.989 5.586 ( -4.302 -4.050 12.759) 14.060 5.741 ( -6.045 -8.652 6.131) 12.206 5.824 ( -7.320 -13.728 -1.281) 15.610 5.953 ( -13.160 -15.740 -6.058) 21.392 7.098 ( -0.512 -4.776 10.602) 11.639 7.393 ( 0.313 -5.818 -16.835) 17.814 8.088 ( -23.186 0.758 12.159) 26.192 8.267 ( -7.591 -4.793 -2.377) 9.287 8.750 ( -18.819 2.584 -0.786) 19.012 8.761 ( -11.783 0.991 0.162) 11.826 9.306 ( -13.794 12.518 1.683) 18.703 9.398 ( -13.300 4.982 -5.149) 15.107 9.668 ( 1.117 -4.082 5.765) 7.152 9.751 ( -3.775 -2.442 -0.880) 4.582 9.995 ( -16.159 17.429 2.818) 23.934 10.142 ( -16.811 19.725 -10.222) 27.860 10.497 ( -9.084 4.551 0.787) 10.191 10.528 ( -7.981 6.853 -4.480) 11.434 10.842 ( -24.086 -12.195 8.843) 28.409 11.042 ( -23.479 -17.254 -9.721) 30.716 11.486 ( -24.307 -6.848 1.266) 25.285 11.579 ( -23.747 -7.058 -6.804) 25.691 12.430 ( -5.822 3.103 12.716) 14.325 12.586 ( -9.559 -4.689 -2.026) 10.838 12.901 ( 0.152 3.702 4.081) 5.512 12.947 ( 0.415 1.133 0.844) 1.473 13.472 ( 10.394 5.982 1.633) 12.104 13.625 ( 15.795 0.116 -12.635) 20.228 14.127 ( 0.270 -3.182 4.496) 5.515 14.178 ( 0.423 -5.677 -0.698) 5.736 14.837 ( 11.668 2.948 12.022) 17.011 15.077 ( 11.227 1.033 -11.199) 15.891 16.199 ( -7.565 0.217 3.211) 8.221 16.265 ( -5.520 -3.311 -3.111) 7.150 18.700 ( -23.836 -8.034 16.241) 29.941 19.025 ( -24.332 -8.644 -15.290) 30.009 21.669 ( -22.399 1.697 5.116) 23.039 21.783 ( -24.893 1.588 -5.981) 25.650 22.986 ( -6.524 0.260 11.092) 12.870 23.245 ( -2.754 0.854 -14.336) 14.623 24.746 ( 11.418 3.094 15.756) 19.703 25.029 ( 15.642 2.671 -12.134) 19.976 ======================= Grid point 470 (159/171) ======================= q-point: (-0.50 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.862 ( -12.463 19.227 -0.692) 22.924 3.881 ( -11.416 21.768 -1.765) 24.643 4.050 ( -11.524 14.876 0.224) 18.819 4.136 ( -12.723 12.316 -8.410) 19.603 4.642 ( -6.753 -0.066 2.828) 7.322 4.708 ( -9.059 -2.014 -3.591) 9.950 5.504 ( -4.693 -7.799 17.005) 19.288 5.710 ( -9.498 -13.060 9.988) 18.988 5.759 ( -6.198 -14.163 -5.688) 16.473 5.939 ( -7.511 -14.955 -11.300) 20.193 7.002 ( -15.405 -7.232 15.016) 22.696 7.345 ( -11.668 -5.214 -14.802) 19.556 7.674 ( -18.306 2.546 19.761) 27.057 8.101 ( -14.166 -2.616 -15.339) 21.043 8.261 ( -31.638 2.521 11.101) 33.623 8.351 ( -22.562 15.506 1.812) 27.436 8.830 ( -20.095 9.075 0.375) 22.052 9.013 ( -12.277 11.744 -11.724) 20.642 9.453 ( -18.591 6.805 10.694) 22.501 9.607 ( -16.457 9.381 -5.180) 19.638 9.792 ( -4.580 5.758 3.392) 8.102 9.948 ( -3.869 1.464 -11.890) 12.589 10.137 ( -16.259 1.242 -0.029) 16.306 10.194 ( -19.521 -1.070 -4.554) 20.074 10.563 ( -10.382 -9.873 5.155) 15.226 10.700 ( -18.152 -9.637 -6.541) 21.567 11.259 ( -0.861 -4.062 8.362) 9.336 11.436 ( -0.941 -14.441 -9.156) 17.125 12.327 ( -0.896 5.053 9.863) 11.118 12.484 ( -3.608 -2.946 -5.330) 7.079 12.968 ( 7.460 7.667 2.488) 10.982 13.003 ( 7.605 0.375 -1.029) 7.683 13.603 ( 3.978 5.979 9.689) 12.060 13.836 ( 3.950 3.679 -12.373) 13.499 14.223 ( 7.401 -7.733 7.969) 13.345 14.388 ( 16.201 -9.368 -8.198) 20.431 15.093 ( 18.414 4.524 14.706) 23.996 15.381 ( 20.758 2.413 -13.208) 24.722 16.040 ( -8.826 -2.074 7.561) 11.805 16.190 ( -4.735 -4.719 -6.978) 9.664 18.282 ( -28.120 -15.346 16.736) 36.143 18.605 ( -28.491 -16.031 -14.485) 35.757 21.065 ( -39.083 2.016 2.885) 39.242 21.146 ( -40.085 1.634 -4.922) 40.419 22.885 ( -3.699 0.922 13.595) 14.120 23.194 ( -1.543 2.012 -16.942) 17.131 24.902 ( 8.459 5.854 20.332) 22.786 25.275 ( 12.835 4.366 -16.352) 21.241 ======================= Grid point 471 (160/171) ======================= q-point: (-0.43 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.424 ( -15.742 23.353 5.184) 28.636 3.477 ( -12.796 23.886 3.526) 27.326 3.727 ( -10.182 16.973 -7.733) 21.249 3.777 ( -13.566 13.738 -14.351) 24.057 4.452 ( -12.526 -0.729 1.485) 12.635 4.521 ( -11.770 -3.390 -4.950) 13.211 5.515 ( -2.850 -10.211 14.138) 17.671 5.561 ( -14.590 -11.321 9.556) 20.793 5.780 ( -4.557 -15.219 -1.844) 15.993 5.839 ( -12.109 -15.733 -7.811) 21.334 6.590 ( -30.668 0.616 11.453) 32.743 6.781 ( -39.117 18.522 -4.098) 43.474 7.401 ( -6.905 3.522 18.869) 20.399 7.712 ( -19.510 3.629 -3.544) 20.158 7.842 ( -13.061 -6.352 -3.198) 14.872 7.902 ( -18.611 1.240 -11.182) 21.747 8.494 ( -9.320 5.179 8.883) 13.877 8.670 ( -17.643 5.859 -4.546) 19.138 8.988 ( -23.391 9.230 10.280) 27.166 9.149 ( -21.615 13.590 -5.963) 26.219 9.470 ( -10.564 -4.813 9.566) 15.042 9.690 ( -9.364 -0.443 -12.393) 15.539 10.149 ( 5.731 -1.124 0.248) 5.845 10.235 ( 9.676 -4.015 -7.989) 13.175 10.505 ( -3.021 -4.790 -1.083) 5.766 10.529 ( -6.251 -3.456 -1.854) 7.379 11.382 ( 9.617 -0.648 8.936) 13.144 11.618 ( 8.224 -10.597 -13.808) 19.250 12.337 ( 5.146 3.511 8.417) 10.472 12.493 ( 3.201 0.236 -7.016) 7.715 13.052 ( 5.145 3.803 7.893) 10.161 13.164 ( 7.169 -1.537 -3.286) 8.034 13.551 ( -6.186 -3.174 7.695) 10.371 13.763 ( -8.597 -0.177 -12.384) 15.076 14.477 ( 12.476 -4.553 14.097) 19.368 14.762 ( 14.401 -2.260 -12.638) 19.293 15.493 ( 23.020 5.845 9.825) 25.702 15.640 ( 2.883 5.900 -1.184) 6.672 16.061 ( 14.347 -3.066 4.063) 15.224 16.246 ( 12.455 -8.677 -11.392) 18.979 17.884 ( -26.525 -21.754 17.100) 38.331 18.198 ( -27.577 -21.707 -13.271) 37.521 20.165 ( -52.409 2.039 2.544) 52.511 20.246 ( -51.914 1.679 -5.072) 52.188 22.823 ( -1.825 2.057 14.349) 14.610 23.151 ( -0.914 3.759 -18.056) 18.466 24.986 ( 6.110 9.111 24.964) 27.268 25.457 ( 10.092 6.074 -21.281) 24.324 ======================= Grid point 472 (161/171) ======================= q-point: (-0.36 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.978 ( -10.998 23.625 16.758) 30.983 3.057 ( -11.661 24.075 13.666) 30.039 3.404 ( -9.727 16.750 -15.962) 25.100 3.455 ( -8.110 15.850 -25.467) 31.073 4.260 ( -6.689 -1.851 1.061) 7.021 4.337 ( -9.322 -4.091 -5.882) 11.757 5.359 ( -11.826 -9.008 10.446) 18.169 5.486 ( -7.534 -8.596 0.420) 11.438 5.635 ( -18.411 18.945 12.910) 29.404 5.769 ( -10.065 -6.249 3.287) 12.294 5.922 ( -23.559 13.115 4.742) 27.377 6.128 ( -11.079 -14.700 -11.447) 21.677 7.278 ( -3.801 2.064 11.122) 11.933 7.445 ( -8.554 -1.373 5.908) 10.486 7.580 ( -13.179 0.624 -8.782) 15.849 7.709 ( -9.034 -9.354 -13.184) 18.518 8.327 ( -12.046 3.555 3.294) 12.985 8.347 ( -4.245 2.848 2.127) 5.537 8.658 ( -5.699 2.875 15.554) 16.813 8.720 ( -10.583 10.933 6.681) 16.618 9.440 ( -1.757 -8.801 5.607) 10.582 9.616 ( -1.829 -4.458 -11.772) 12.720 10.244 ( 4.842 8.598 5.596) 11.344 10.392 ( 2.744 -1.466 -7.805) 8.402 10.497 ( -0.152 -2.552 -2.492) 3.570 10.531 ( 3.887 -6.166 -6.239) 9.594 11.604 ( 12.152 -1.241 7.507) 14.338 11.869 ( 10.227 -8.472 -17.565) 22.020 12.446 ( 6.738 1.257 7.656) 10.276 12.583 ( 6.417 1.683 -5.582) 8.670 13.049 ( -6.051 -1.828 10.300) 12.086 13.264 ( 0.652 -1.929 -8.590) 8.828 13.482 ( -4.994 -9.640 1.499) 10.960 13.572 ( -10.767 -6.741 -8.074) 15.052 14.727 ( 10.691 -0.472 14.549) 18.061 14.951 ( 6.438 2.796 -5.792) 9.100 15.436 ( -9.340 3.267 17.337) 19.962 15.790 ( 5.374 2.469 -17.604) 18.571 16.584 ( 36.552 -1.224 11.633) 38.378 16.848 ( 38.014 -2.281 -13.187) 40.301 17.651 ( -12.481 -23.521 14.467) 30.304 17.909 ( -17.841 -21.904 -10.254) 30.054 19.082 ( -57.045 1.519 3.793) 57.191 19.185 ( -55.156 1.914 -5.822) 55.496 22.779 ( -0.848 3.386 14.035) 14.463 23.101 ( -0.604 5.760 -17.939) 18.851 24.999 ( 3.429 12.764 28.850) 31.733 25.563 ( 6.087 8.208 -26.575) 28.472 ======================= Grid point 473 (162/171) ======================= q-point: (-0.29 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.712 ( -0.000 21.687 25.255) 33.289 2.741 ( -0.000 25.026 19.253) 31.575 3.182 ( -0.000 14.978 -19.871) 24.884 3.254 ( -0.000 16.657 -30.557) 34.802 4.225 ( 0.000 -3.168 -0.551) 3.215 4.272 ( 0.000 -4.423 -4.407) 6.244 5.098 ( -0.000 47.713 16.692) 50.549 5.334 ( 0.000 -11.366 9.265) 14.663 5.341 ( -0.000 25.617 -5.553) 26.212 5.493 ( 0.000 -9.398 -6.621) 11.496 5.922 ( 0.000 -20.398 17.351) 26.779 6.236 ( 0.000 -23.480 -13.606) 27.138 7.250 ( 0.000 -0.906 7.936) 7.987 7.367 ( 0.000 -1.658 10.729) 10.857 7.420 ( -0.000 2.449 -8.671) 9.010 7.669 ( 0.000 -7.688 -19.618) 21.070 8.201 ( -0.000 1.728 4.861) 5.158 8.288 ( -0.000 1.674 -3.646) 4.012 8.578 ( -0.000 4.664 17.108) 17.732 8.613 ( -0.000 1.064 16.037) 16.072 9.487 ( 0.000 -8.313 4.828) 9.613 9.638 ( 0.000 -4.235 -9.049) 9.991 10.199 ( -0.000 14.261 11.278) 18.182 10.406 ( -0.000 2.138 -9.304) 9.547 10.543 ( 0.000 -6.471 -0.149) 6.473 10.649 ( 0.000 -8.939 -10.301) 13.639 11.776 ( 0.000 -3.129 7.460) 8.090 12.073 ( 0.000 -10.237 -20.525) 22.937 12.522 ( -0.000 0.102 7.603) 7.604 12.678 ( -0.000 0.636 -7.892) 7.917 12.918 ( -0.000 0.324 12.443) 12.447 13.225 ( -0.000 0.202 -18.096) 18.097 13.507 ( 0.000 -12.528 2.940) 12.869 13.566 ( 0.000 -14.112 -2.677) 14.364 14.825 ( -0.000 4.358 11.233) 12.048 14.991 ( -0.000 4.270 -3.632) 5.606 15.315 ( 0.000 -0.307 27.225) 27.226 15.830 ( 0.000 -0.268 -23.716) 23.718 17.068 ( 0.000 -5.389 16.057) 16.937 17.384 ( 0.000 -0.159 -13.102) 13.103 17.834 ( 0.000 -19.897 2.064) 20.004 17.925 ( 0.000 -15.519 -4.822) 16.250 18.245 ( 0.000 -0.265 9.650) 9.653 18.420 ( 0.000 -0.184 -7.545) 7.548 22.741 ( -0.000 4.529 13.286) 14.037 23.046 ( -0.000 7.221 -16.984) 18.456 24.924 ( -0.000 16.875 30.856) 35.169 25.552 ( -0.000 11.786 -30.925) 33.095 ======================= Grid point 482 (163/171) ======================= q-point: (-0.64 0.36 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.225 ( -2.581 0.000 4.356) 5.063 4.295 ( -2.751 0.000 -5.287) 5.960 4.431 ( -5.174 0.000 -0.083) 5.175 4.515 ( -8.735 0.000 -6.077) 10.641 4.761 ( -6.509 0.000 5.388) 8.450 4.861 ( -7.893 0.000 -4.042) 8.867 5.550 ( 1.370 -0.000 8.062) 8.177 5.692 ( 4.786 -0.000 -5.385) 7.204 5.711 ( -20.306 0.000 9.364) 22.361 5.802 ( -16.290 0.000 0.210) 16.291 7.062 ( -0.609 0.000 8.697) 8.718 7.345 ( -0.046 0.000 -18.176) 18.176 8.095 ( -23.893 0.000 11.147) 26.365 8.231 ( -6.512 0.000 -0.908) 6.575 8.749 ( -26.408 0.000 2.323) 26.510 8.781 ( -6.291 0.000 -1.955) 6.587 9.407 ( 1.404 -0.000 -2.775) 3.110 9.414 ( -7.231 0.000 -1.196) 7.329 9.667 ( -7.553 0.000 3.785) 8.448 9.718 ( -1.668 0.000 -1.010) 1.950 10.195 ( -20.092 0.000 6.191) 21.024 10.305 ( -20.225 0.000 -1.531) 20.283 10.561 ( -11.947 0.000 -1.552) 12.047 10.597 ( -8.400 0.000 -0.852) 8.443 10.706 ( -24.736 0.000 0.063) 24.736 10.825 ( -23.840 0.000 -11.397) 26.424 11.417 ( -24.531 0.000 2.860) 24.698 11.551 ( -24.947 0.000 -9.485) 26.689 12.457 ( -4.260 0.000 9.709) 10.603 12.547 ( -10.357 0.000 0.978) 10.403 12.924 ( 4.458 -0.000 4.783) 6.539 12.961 ( -0.160 0.000 3.079) 3.083 13.533 ( 12.239 -0.000 -1.839) 12.376 13.620 ( 16.820 -0.000 -10.658) 19.912 14.108 ( -0.218 0.000 2.600) 2.609 14.123 ( -3.862 0.000 0.735) 3.931 14.861 ( 12.207 -0.000 11.454) 16.739 15.085 ( 10.882 -0.000 -10.328) 15.003 16.210 ( -8.158 0.000 0.971) 8.215 16.231 ( -5.321 0.000 -1.122) 5.438 18.640 ( -25.000 0.000 16.079) 29.724 18.960 ( -25.475 0.000 -15.021) 29.574 21.682 ( -22.413 0.000 5.042) 22.973 21.795 ( -24.988 0.000 -5.979) 25.693 22.988 ( -6.439 0.000 11.293) 12.999 23.251 ( -2.599 0.000 -14.557) 14.787 24.768 ( 11.731 -0.000 15.627) 19.540 25.048 ( 15.729 -0.000 -11.942) 19.749 ======================= Grid point 484 (164/171) ======================= q-point: (-0.57 0.36 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.080 ( -8.633 8.660 2.123) 12.411 4.122 ( -10.718 9.178 -3.415) 14.517 4.227 ( -13.919 8.361 -3.063) 16.523 4.264 ( -13.579 3.805 -6.058) 15.348 4.642 ( -7.104 -0.070 2.062) 7.397 4.690 ( -9.929 -0.341 -2.463) 10.236 5.437 ( -7.414 -1.172 13.268) 15.244 5.543 ( -7.082 -7.809 10.129) 14.619 5.598 ( -7.931 -6.535 -2.469) 10.569 5.751 ( -4.658 -8.360 -9.772) 13.677 6.930 ( -14.756 -2.438 12.075) 19.222 7.265 ( -9.919 -3.814 -19.230) 21.971 7.686 ( -16.952 0.096 21.453) 27.343 8.071 ( -11.405 -1.086 -13.053) 17.368 8.251 ( -27.364 -0.759 14.382) 30.922 8.512 ( -22.739 3.800 -10.076) 25.160 9.038 ( -23.350 14.088 7.090) 28.178 9.169 ( -15.740 5.985 -3.189) 17.139 9.522 ( -17.358 2.567 12.892) 21.774 9.654 ( -7.400 -0.466 -1.691) 7.605 9.898 ( -5.597 7.217 -1.532) 9.261 9.984 ( -5.683 0.271 -8.963) 10.616 10.177 ( -26.545 1.307 -1.304) 26.609 10.186 ( -30.064 3.668 -3.095) 30.445 10.408 ( -7.813 -7.808 -1.356) 11.128 10.500 ( -15.205 -14.057 -9.631) 22.837 11.211 ( 3.140 -3.744 3.802) 6.191 11.299 ( 1.225 -2.420 -4.359) 5.134 12.388 ( -2.053 2.994 4.533) 5.808 12.431 ( -2.338 -3.149 0.384) 3.941 13.028 ( 7.261 1.772 2.806) 7.984 13.059 ( 8.673 3.271 -0.098) 9.270 13.739 ( 2.741 11.259 5.994) 13.046 13.863 ( 2.618 -2.776 -4.747) 6.091 14.125 ( 6.349 -3.305 3.950) 8.175 14.252 ( 19.432 -7.426 -8.771) 22.577 15.147 ( 18.682 2.196 13.137) 22.944 15.402 ( 22.394 0.585 -11.694) 25.270 16.027 ( -10.266 -0.062 5.280) 11.544 16.138 ( -4.859 -2.094 -5.368) 7.537 18.125 ( -29.998 -5.613 16.593) 34.738 18.442 ( -29.999 -5.770 -14.078) 33.636 21.088 ( -39.144 0.884 2.650) 39.243 21.166 ( -40.167 0.774 -4.816) 40.462 22.894 ( -3.388 0.294 14.109) 14.513 23.214 ( -1.145 0.657 -17.459) 17.508 24.958 ( 8.887 1.851 19.699) 21.690 25.315 ( 12.727 1.284 -15.466) 20.070 ======================= Grid point 485 (165/171) ======================= q-point: (-0.50 0.36 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.738 ( -15.630 18.266 2.367) 24.157 3.786 ( -13.921 16.652 0.797) 21.719 3.920 ( -11.641 8.150 -3.491) 14.632 3.965 ( -10.923 10.724 -12.280) 19.624 4.444 ( -13.355 -0.389 -0.738) 13.381 4.479 ( -12.646 -2.276 -3.581) 13.339 5.385 ( -4.345 -6.945 12.876) 15.261 5.405 ( -11.584 -8.903 9.336) 17.338 5.554 ( -4.895 -13.371 -1.052) 14.278 5.623 ( -14.343 -12.089 -9.311) 20.942 6.563 ( -25.122 -2.229 17.098) 30.470 6.962 ( -24.150 4.817 -20.623) 32.120 7.427 ( -10.447 0.284 19.560) 22.177 7.744 ( -21.414 0.155 15.674) 26.538 7.800 ( -15.280 0.787 -13.999) 20.739 7.984 ( -22.173 7.089 -8.599) 24.816 8.603 ( -12.587 9.417 12.035) 19.798 8.775 ( -19.751 6.572 -3.074) 21.041 9.120 ( -23.873 9.241 12.642) 28.551 9.328 ( -11.450 5.658 -2.872) 13.090 9.438 ( -24.348 4.347 6.695) 25.623 9.691 ( -12.731 0.338 -13.265) 18.388 10.091 ( 7.029 -5.664 -0.381) 9.035 10.157 ( 7.944 -6.879 -6.781) 12.506 10.387 ( -3.114 -10.049 -4.306) 11.367 10.416 ( -4.246 -9.388 -6.686) 12.283 11.402 ( 12.465 2.421 3.383) 13.140 11.479 ( 11.137 -6.368 -4.710) 13.666 12.376 ( 2.547 0.854 4.341) 5.105 12.464 ( 3.215 -2.137 -4.196) 5.702 13.146 ( 6.360 5.118 3.302) 8.806 13.190 ( 7.361 4.929 -0.646) 8.882 13.536 ( -13.199 0.828 10.079) 16.628 13.765 ( -11.663 0.008 -11.758) 16.561 14.410 ( 15.582 -4.092 14.068) 21.388 14.716 ( 19.029 -3.288 -15.266) 24.616 15.572 ( 26.066 4.382 11.713) 28.911 15.710 ( -4.268 3.427 1.839) 5.774 16.042 ( 22.997 0.098 -2.628) 23.147 16.142 ( 11.176 -5.302 -9.293) 15.472 17.625 ( -27.596 -12.750 17.693) 35.173 17.945 ( -27.408 -12.242 -13.241) 32.808 20.194 ( -52.396 1.556 2.315) 52.470 20.271 ( -51.614 1.423 -4.984) 51.874 22.845 ( -1.420 0.985 15.244) 15.342 23.192 ( -0.354 1.830 -18.977) 19.068 25.083 ( 6.459 4.190 23.590) 24.814 25.517 ( 9.714 2.423 -19.123) 21.586 ======================= Grid point 486 (166/171) ======================= q-point: (-0.43 0.36 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.302 ( -13.516 19.450 14.502) 27.772 3.389 ( -11.458 20.511 7.298) 24.601 3.622 ( -11.296 12.232 -9.802) 19.320 3.690 ( -7.170 15.413 -23.173) 28.739 4.233 ( -7.391 -1.798 -1.484) 7.750 4.279 ( -9.388 -3.554 -5.232) 11.320 5.209 ( -11.814 -10.005 10.098) 18.484 5.359 ( -6.702 -7.650 -1.576) 10.292 5.517 ( -6.445 -17.492 5.832) 19.533 5.597 ( -2.421 -15.366 1.779) 15.657 6.051 ( -24.127 2.665 11.702) 26.947 6.360 ( -20.375 26.865 -14.574) 36.732 7.286 ( -4.899 -0.531 13.521) 14.391 7.452 ( -9.236 0.872 10.767) 14.213 7.581 ( -10.054 -2.466 -10.325) 14.620 7.631 ( -9.914 2.249 -6.005) 11.807 8.358 ( -10.810 1.783 6.057) 12.519 8.413 ( -10.515 4.464 -0.819) 11.453 8.724 ( -8.124 7.082 20.778) 23.407 8.931 ( -10.970 17.205 -0.209) 20.406 9.318 ( -2.012 -7.792 7.910) 11.284 9.562 ( -3.242 -2.703 -14.565) 15.164 10.263 ( 5.742 -5.172 1.168) 7.816 10.357 ( 5.953 -4.784 -8.442) 11.384 10.395 ( -2.497 -11.351 -1.999) 11.793 10.443 ( 0.007 -4.860 -8.019) 9.376 11.605 ( 10.349 2.317 4.155) 11.390 11.744 ( 10.229 -6.895 -9.491) 15.565 12.456 ( 5.008 -0.402 4.834) 6.972 12.569 ( 5.038 -3.045 -6.035) 8.431 13.075 ( -9.577 4.364 11.442) 15.546 13.264 ( 2.135 1.813 -4.291) 5.124 13.391 ( -2.399 -3.167 1.274) 4.173 13.504 ( -13.412 -3.187 -11.217) 17.772 14.714 ( 13.722 -1.107 15.095) 20.429 14.976 ( 8.162 0.781 -9.288) 12.389 15.476 ( -12.360 2.046 17.317) 21.374 15.821 ( 2.275 1.641 -16.795) 17.028 16.599 ( 39.914 3.074 10.378) 41.356 16.845 ( 43.658 1.281 -12.922) 45.548 17.338 ( -10.435 -18.421 16.531) 26.860 17.629 ( -14.467 -15.923 -11.293) 24.298 19.108 ( -57.889 1.631 4.044) 58.053 19.215 ( -55.391 1.939 -6.156) 55.766 22.817 ( -0.531 1.922 15.351) 15.480 23.168 ( -0.130 3.385 -19.418) 19.711 25.140 ( 3.602 6.777 26.884) 27.958 25.645 ( 5.647 3.474 -22.728) 23.676 ======================= Grid point 487 (167/171) ======================= q-point: (-0.36 0.36 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.017 ( -0.000 19.322 21.287) 28.749 3.107 ( -0.000 24.106 11.784) 26.832 3.393 ( -0.000 13.261 -14.160) 19.400 3.503 ( -0.000 16.935 -26.709) 31.626 4.183 ( 0.000 -2.462 -2.951) 3.843 4.209 ( 0.000 -3.972 -4.501) 6.003 5.166 ( 0.000 -11.045 10.245) 15.065 5.353 ( 0.000 -9.337 -8.381) 12.547 5.516 ( -0.000 2.340 15.315) 15.493 5.649 ( 0.000 -9.707 10.701) 14.448 5.769 ( -0.000 11.569 -0.572) 11.583 5.992 ( -0.000 9.422 -12.378) 15.557 7.240 ( 0.000 -0.482 10.203) 10.214 7.369 ( -0.000 1.045 12.993) 13.034 7.452 ( -0.000 1.854 -10.601) 10.762 7.562 ( 0.000 -5.260 -10.171) 11.451 8.225 ( -0.000 1.417 4.932) 5.131 8.309 ( -0.000 1.207 -3.428) 3.635 8.634 ( -0.000 2.784 21.654) 21.832 8.717 ( -0.000 14.122 8.586) 16.527 9.361 ( 0.000 -8.310 5.875) 10.176 9.566 ( 0.000 -4.662 -13.168) 13.969 10.334 ( -0.000 2.766 2.105) 3.476 10.396 ( 0.000 -2.752 -4.816) 5.547 10.471 ( 0.000 -4.089 -5.313) 6.704 10.511 ( 0.000 -11.860 -6.345) 13.451 11.724 ( 0.000 -2.279 4.592) 5.126 11.919 ( 0.000 -9.202 -13.910) 16.679 12.522 ( 0.000 -0.336 6.195) 6.204 12.662 ( 0.000 -3.447 -7.459) 8.217 12.922 ( -0.000 0.260 12.374) 12.377 13.227 ( -0.000 0.162 -18.005) 18.006 13.386 ( 0.000 -3.773 2.416) 4.480 13.431 ( 0.000 -4.379 -1.746) 4.714 14.875 ( -0.000 2.445 10.148) 10.438 15.043 ( -0.000 2.663 -4.986) 5.652 15.310 ( 0.000 -0.247 27.236) 27.237 15.826 ( 0.000 -0.215 -23.757) 23.758 16.996 ( 0.000 -4.565 18.039) 18.607 17.362 ( 0.000 -4.216 -17.550) 18.050 17.619 ( 0.000 -8.577 4.899) 9.877 17.749 ( 0.000 -8.249 -6.233) 10.339 18.241 ( 0.000 -0.212 9.712) 9.715 18.418 ( 0.000 -0.147 -7.591) 7.592 22.795 ( -0.000 2.846 14.852) 15.122 23.136 ( -0.000 4.917 -18.998) 19.624 25.115 ( -0.000 9.630 28.898) 30.461 25.670 ( -0.000 5.116 -25.620) 26.126 ======================= Grid point 498 (168/171) ======================= q-point: (-0.57 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.904 ( -18.938 0.000 1.904) 19.033 3.918 ( -14.843 0.000 0.521) 14.852 3.961 ( -8.642 0.000 -2.509) 8.999 4.050 ( -9.653 0.000 -12.036) 15.428 4.441 ( -13.759 0.000 -1.938) 13.895 4.460 ( -13.328 0.000 -2.785) 13.616 5.323 ( -12.895 0.000 10.333) 16.524 5.341 ( -2.316 0.000 10.509) 10.761 5.443 ( -5.905 0.000 -0.463) 5.923 5.528 ( -14.458 0.000 -9.510) 17.305 6.544 ( -23.363 0.000 18.259) 29.652 6.984 ( -17.912 0.000 -23.819) 29.803 7.426 ( -10.838 0.000 19.486) 22.297 7.745 ( -22.259 0.000 18.699) 29.071 7.810 ( -14.704 0.000 -15.929) 21.678 8.042 ( -23.904 0.000 -9.046) 25.559 8.698 ( -17.501 0.000 11.713) 21.059 8.825 ( -21.568 0.000 -1.081) 21.595 9.261 ( -25.913 0.000 10.050) 27.794 9.268 ( -9.242 0.000 18.470) 20.653 9.543 ( -23.665 0.000 -6.821) 24.628 9.694 ( -14.221 0.000 -12.184) 18.727 10.036 ( 6.214 -0.000 -2.826) 6.826 10.064 ( 3.055 -0.000 -4.465) 5.410 10.315 ( 1.082 -0.000 -8.548) 8.616 10.326 ( -1.439 0.000 -9.573) 9.681 11.407 ( 14.648 -0.000 1.934) 14.775 11.454 ( 11.786 -0.000 -1.762) 11.917 12.372 ( 0.784 -0.000 4.151) 4.225 12.454 ( 3.734 -0.000 -4.182) 5.607 13.181 ( 7.535 -0.000 3.991) 8.527 13.238 ( 7.657 -0.000 -1.508) 7.804 13.552 ( -18.657 0.000 9.845) 21.095 13.762 ( -12.515 0.000 -10.297) 16.207 14.376 ( 17.463 -0.000 13.853) 22.290 14.688 ( 21.448 -0.000 -16.099) 26.818 15.607 ( 26.745 -0.000 12.007) 29.316 15.735 ( -7.384 0.000 3.009) 7.974 16.049 ( 32.626 -0.000 -6.010) 33.175 16.099 ( 5.539 -0.000 -7.534) 9.351 17.529 ( -28.196 0.000 18.022) 33.463 17.853 ( -27.466 0.000 -13.367) 30.546 20.206 ( -52.434 0.000 2.258) 52.482 20.282 ( -51.560 0.000 -4.957) 51.798 22.853 ( -1.292 0.000 15.549) 15.603 23.205 ( -0.181 0.000 -19.263) 19.264 25.113 ( 6.560 -0.000 23.044) 23.959 25.534 ( 9.568 -0.000 -18.376) 20.718 ======================= Grid point 500 (169/171) ======================= q-point: (-0.50 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.512 ( -16.511 7.923 14.195) 23.171 3.625 ( -10.752 9.798 2.836) 14.821 3.747 ( -11.746 4.313 -5.805) 13.794 3.869 ( -6.838 7.323 -21.432) 23.658 4.211 ( -7.569 -0.895 -3.513) 8.392 4.238 ( -9.232 -1.717 -4.975) 10.627 5.095 ( -10.932 -4.570 10.119) 15.582 5.277 ( -8.472 -3.267 -5.867) 10.811 5.332 ( -4.134 -5.741 3.999) 8.126 5.382 ( -3.669 -10.524 0.242) 11.148 6.088 ( -20.963 1.413 22.909) 31.085 6.609 ( -15.890 7.474 -26.429) 31.731 7.279 ( -4.757 -0.287 14.541) 15.302 7.449 ( -9.401 -0.317 19.505) 21.655 7.571 ( -8.993 0.318 -13.684) 16.378 7.686 ( -11.640 2.874 -3.491) 12.487 8.382 ( -13.177 1.145 6.627) 14.794 8.458 ( -13.608 1.543 -1.649) 13.794 8.876 ( -8.365 11.747 23.477) 27.553 9.132 ( -10.255 1.272 13.590) 17.072 9.238 ( -3.361 2.189 -2.633) 4.798 9.537 ( -4.212 -0.832 -15.282) 15.874 10.141 ( 2.484 -8.560 -1.896) 9.113 10.157 ( 1.100 -10.832 -2.623) 11.200 10.356 ( 3.017 -0.447 -9.068) 9.567 10.388 ( 3.467 -1.940 -12.518) 13.133 11.654 ( 9.550 2.854 1.209) 10.040 11.681 ( 11.321 -1.932 -2.515) 11.757 12.426 ( 3.418 -2.400 4.624) 6.231 12.540 ( 4.564 -0.562 -6.758) 8.174 13.132 ( -17.056 2.370 11.665) 20.799 13.295 ( 2.854 1.320 0.938) 3.281 13.379 ( 2.750 0.878 -1.237) 3.140 13.466 ( -14.814 -2.000 -13.403) 20.077 14.700 ( 15.549 -0.595 15.136) 21.708 14.980 ( 9.539 -0.018 -11.241) 14.743 15.496 ( -13.714 0.681 17.075) 21.911 15.837 ( 0.365 0.567 -16.618) 16.632 16.658 ( 46.353 3.723 8.541) 47.280 16.862 ( 44.286 0.378 -9.962) 45.394 17.137 ( -10.009 -7.702 17.451) 21.541 17.458 ( -14.297 -6.509 -12.613) 20.146 19.125 ( -58.490 0.650 4.187) 58.643 19.236 ( -55.707 0.763 -6.342) 56.072 22.836 ( -0.392 0.612 16.045) 16.062 23.201 ( 0.076 1.081 -20.081) 20.111 25.204 ( 3.655 2.124 25.573) 25.920 25.675 ( 5.389 0.940 -20.764) 21.473 ======================= Grid point 501 (170/171) ======================= q-point: (-0.43 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.258 ( -0.000 12.521 18.526) 22.360 3.419 ( -0.000 16.992 6.452) 18.176 3.554 ( -0.000 8.037 -8.865) 11.966 3.729 ( -0.000 12.640 -23.660) 26.825 4.153 ( 0.000 -1.601 -5.297) 5.534 4.160 ( 0.000 -2.459 -4.561) 5.182 5.026 ( 0.000 -7.301 10.728) 12.977 5.234 ( 0.000 -6.288 -9.935) 11.758 5.347 ( 0.000 -11.755 7.003) 13.683 5.453 ( 0.000 -17.088 -2.050) 17.211 5.838 ( -0.000 5.763 24.373) 25.045 6.348 ( -0.000 19.287 -23.520) 30.416 7.235 ( 0.000 -0.184 11.652) 11.653 7.367 ( 0.000 -0.773 17.779) 17.796 7.473 ( -0.000 0.989 -11.746) 11.788 7.555 ( -0.000 3.087 -2.084) 3.724 8.241 ( -0.000 0.803 4.882) 4.947 8.322 ( -0.000 0.619 -3.211) 3.270 8.726 ( -0.000 10.311 26.886) 28.796 8.954 ( -0.000 15.125 4.219) 15.703 9.248 ( 0.000 -6.811 6.867) 9.672 9.513 ( 0.000 -2.424 -15.616) 15.803 10.247 ( 0.000 -11.800 0.151) 11.801 10.265 ( 0.000 -16.089 -1.735) 16.182 10.396 ( 0.000 -0.845 -8.411) 8.454 10.433 ( 0.000 -0.993 -12.769) 12.808 11.733 ( -0.000 2.815 2.876) 4.024 11.825 ( 0.000 -3.683 -6.672) 7.622 12.495 ( 0.000 -3.488 4.411) 5.623 12.608 ( 0.000 -2.484 -6.597) 7.049 12.925 ( -0.000 0.145 12.326) 12.326 13.229 ( -0.000 0.090 -17.942) 17.942 13.370 ( -0.000 0.424 2.779) 2.811 13.416 ( -0.000 0.998 -1.574) 1.864 14.899 ( -0.000 0.941 8.958) 9.007 15.069 ( -0.000 0.992 -6.485) 6.561 15.307 ( 0.000 -0.137 27.244) 27.244 15.824 ( 0.000 -0.120 -23.786) 23.786 16.937 ( 0.000 -3.130 19.784) 20.030 17.274 ( 0.000 -5.840 -12.000) 13.346 17.559 ( 0.000 -1.466 0.573) 1.574 17.677 ( 0.000 -2.146 -8.694) 8.955 18.239 ( 0.000 -0.118 9.756) 9.757 18.416 ( 0.000 -0.081 -7.622) 7.623 22.825 ( -0.000 1.336 15.937) 15.993 23.189 ( -0.000 2.338 -20.107) 20.243 25.216 ( -0.000 4.370 26.987) 27.338 25.719 ( -0.000 1.852 -22.380) 22.457 ======================= Grid point 515 (171/171) ======================= q-point: ( 0.50 -0.50 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 7.40e-04 7.40e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.355 ( -0.000 0.000 17.481) 17.481 3.555 ( -0.000 0.000 4.439) 4.439 3.615 ( -0.000 0.000 -6.334) 6.334 3.831 ( -0.000 0.000 -22.331) 22.331 4.139 ( -0.000 0.000 -4.861) 4.861 4.143 ( -0.000 0.000 -6.214) 6.214 4.969 ( -0.000 0.000 10.804) 10.804 5.185 ( -0.000 0.000 -10.596) 10.596 5.280 ( -0.000 0.000 0.847) 0.847 5.282 ( 0.000 -0.000 1.052) 1.052 5.882 ( -0.000 0.000 29.280) 29.280 6.484 ( -0.000 0.000 -29.358) 29.358 7.234 ( -0.000 0.000 12.145) 12.145 7.364 ( -0.000 0.000 21.062) 21.062 7.480 ( -0.000 0.000 -12.121) 12.121 7.586 ( 0.000 -0.000 0.089) 0.089 8.247 ( -0.000 0.000 4.843) 4.843 8.327 ( -0.000 0.000 -3.119) 3.119 8.861 ( -0.000 0.000 24.921) 24.921 9.037 ( 0.000 -0.000 18.943) 18.943 9.212 ( -0.000 0.000 -2.881) 2.881 9.495 ( -0.000 0.000 -15.715) 15.715 10.110 ( -0.000 0.000 -4.241) 4.241 10.138 ( 0.000 -0.000 -2.314) 2.314 10.390 ( -0.000 0.000 -8.673) 8.673 10.429 ( -0.000 0.000 -13.541) 13.541 11.763 ( -0.000 0.000 1.600) 1.600 11.800 ( -0.000 0.000 -3.278) 3.278 12.458 ( -0.000 0.000 5.364) 5.364 12.593 ( 0.000 -0.000 -7.919) 7.919 12.926 ( -0.000 0.000 12.308) 12.308 13.230 ( -0.000 0.000 -17.919) 17.919 13.376 ( -0.000 0.000 3.354) 3.354 13.427 ( -0.000 0.000 -1.554) 1.554 14.905 ( -0.000 0.000 8.404) 8.404 15.075 ( -0.000 0.000 -7.096) 7.096 15.306 ( -0.000 0.000 27.247) 27.247 15.823 ( -0.000 0.000 -23.796) 23.796 16.913 ( -0.000 0.000 20.388) 20.388 17.228 ( -0.000 0.000 -9.672) 9.672 17.550 ( 0.000 -0.000 -0.457) 0.457 17.665 ( -0.000 0.000 -10.227) 10.227 18.238 ( -0.000 0.000 9.771) 9.771 18.415 ( -0.000 0.000 -7.634) 7.634 22.835 ( -0.000 0.000 16.301) 16.301 23.206 ( -0.000 0.000 -20.440) 20.440 25.248 ( -0.000 0.000 26.236) 26.236 25.731 ( -0.000 0.000 -21.299) 21.299 =================== 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 3/47040 10.0 1575.468 11061.695 961.783 0.000 0.000 -0.000 3/47040 20.0 830.630 1205.239 935.441 0.000 0.000 -0.000 3/47040 30.0 405.138 424.166 380.187 0.000 0.000 -0.000 3/47040 40.0 219.486 211.260 195.285 0.000 0.000 -0.000 3/47040 50.0 132.386 124.769 114.949 0.000 0.000 -0.000 3/47040 60.0 87.577 81.618 74.720 0.000 0.000 -0.000 3/47040 70.0 62.428 57.595 52.489 0.000 0.000 -0.000 3/47040 80.0 47.224 43.103 39.181 0.000 0.000 -0.000 3/47040 90.0 37.431 33.774 30.667 0.000 0.000 -0.000 3/47040 100.0 30.773 27.438 24.911 0.000 0.000 -0.000 3/47040 110.0 26.037 22.939 20.839 0.000 0.000 -0.000 3/47040 120.0 22.537 19.624 17.845 0.000 0.000 -0.000 3/47040 130.0 19.865 17.105 15.572 0.000 0.000 -0.000 3/47040 140.0 17.770 15.139 13.800 0.000 0.000 -0.000 3/47040 150.0 16.087 13.570 12.386 0.000 0.000 -0.000 3/47040 160.0 14.710 12.294 11.236 0.000 0.000 -0.000 3/47040 170.0 13.562 11.239 10.283 0.000 0.000 -0.000 3/47040 180.0 12.592 10.353 9.483 0.000 0.000 -0.000 3/47040 190.0 11.761 9.600 8.802 0.000 0.000 -0.000 3/47040 200.0 11.042 8.952 8.216 0.000 0.000 -0.000 3/47040 210.0 10.412 8.390 7.707 0.000 0.000 -0.000 3/47040 220.0 9.857 7.898 7.260 0.000 0.000 -0.000 3/47040 230.0 9.362 7.463 6.864 0.000 0.000 -0.000 3/47040 240.0 8.920 7.076 6.512 0.000 0.000 -0.000 3/47040 250.0 8.520 6.730 6.197 0.000 0.000 -0.000 3/47040 260.0 8.158 6.418 5.912 0.000 0.000 -0.000 3/47040 270.0 7.828 6.135 5.654 0.000 0.000 -0.000 3/47040 280.0 7.526 5.878 5.419 0.000 0.000 -0.000 3/47040 290.0 7.248 5.643 5.204 0.000 0.000 -0.000 3/47040 300.0 6.991 5.427 5.006 0.000 0.000 -0.000 3/47040 310.0 6.753 5.229 4.824 0.000 0.000 -0.000 3/47040 320.0 6.532 5.045 4.655 0.000 0.000 -0.000 3/47040 330.0 6.326 4.874 4.499 0.000 0.000 -0.000 3/47040 340.0 6.133 4.716 4.353 0.000 0.000 -0.000 3/47040 350.0 5.952 4.568 4.217 0.000 0.000 -0.000 3/47040 360.0 5.782 4.429 4.089 0.000 0.000 -0.000 3/47040 370.0 5.622 4.299 3.970 0.000 0.000 -0.000 3/47040 380.0 5.471 4.177 3.857 0.000 0.000 -0.000 3/47040 390.0 5.328 4.062 3.751 0.000 0.000 -0.000 3/47040 400.0 5.193 3.954 3.651 0.000 0.000 -0.000 3/47040 410.0 5.064 3.851 3.557 0.000 0.000 -0.000 3/47040 420.0 4.943 3.754 3.467 0.000 0.000 -0.000 3/47040 430.0 4.827 3.662 3.382 0.000 0.000 -0.000 3/47040 440.0 4.716 3.574 3.301 0.000 0.000 -0.000 3/47040 450.0 4.611 3.491 3.225 0.000 0.000 -0.000 3/47040 460.0 4.510 3.412 3.151 0.000 0.000 -0.000 3/47040 470.0 4.414 3.336 3.081 0.000 0.000 -0.000 3/47040 480.0 4.322 3.264 3.015 0.000 0.000 -0.000 3/47040 490.0 4.233 3.194 2.951 0.000 0.000 -0.000 3/47040 500.0 4.149 3.128 2.890 0.000 0.000 -0.000 3/47040 510.0 4.067 3.065 2.831 0.000 0.000 -0.000 3/47040 520.0 3.989 3.004 2.775 0.000 0.000 -0.000 3/47040 530.0 3.914 2.946 2.721 0.000 0.000 -0.000 3/47040 540.0 3.842 2.890 2.669 0.000 0.000 -0.000 3/47040 550.0 3.772 2.836 2.619 0.000 0.000 -0.000 3/47040 560.0 3.705 2.784 2.571 0.000 0.000 -0.000 3/47040 570.0 3.640 2.734 2.525 0.000 0.000 -0.000 3/47040 580.0 3.578 2.685 2.481 0.000 0.000 -0.000 3/47040 590.0 3.517 2.639 2.438 0.000 0.000 -0.000 3/47040 600.0 3.459 2.594 2.396 0.000 0.000 -0.000 3/47040 610.0 3.402 2.551 2.356 0.000 0.000 -0.000 3/47040 620.0 3.348 2.509 2.317 0.000 0.000 -0.000 3/47040 630.0 3.295 2.468 2.280 0.000 0.000 -0.000 3/47040 640.0 3.244 2.429 2.244 0.000 0.000 -0.000 3/47040 650.0 3.194 2.391 2.209 0.000 0.000 -0.000 3/47040 660.0 3.146 2.354 2.175 0.000 0.000 -0.000 3/47040 670.0 3.099 2.319 2.142 0.000 0.000 -0.000 3/47040 680.0 3.054 2.284 2.110 0.000 0.000 -0.000 3/47040 690.0 3.010 2.251 2.079 0.000 0.000 -0.000 3/47040 700.0 2.967 2.218 2.049 0.000 0.000 -0.000 3/47040 710.0 2.926 2.186 2.019 0.000 0.000 -0.000 3/47040 720.0 2.885 2.156 1.991 0.000 0.000 -0.000 3/47040 730.0 2.846 2.126 1.963 0.000 0.000 -0.000 3/47040 740.0 2.808 2.097 1.937 0.000 0.000 -0.000 3/47040 750.0 2.770 2.069 1.910 0.000 0.000 -0.000 3/47040 760.0 2.734 2.041 1.885 0.000 0.000 -0.000 3/47040 770.0 2.699 2.014 1.860 0.000 0.000 -0.000 3/47040 780.0 2.664 1.988 1.836 0.000 0.000 -0.000 3/47040 790.0 2.631 1.963 1.813 0.000 0.000 -0.000 3/47040 800.0 2.598 1.938 1.790 0.000 0.000 -0.000 3/47040 810.0 2.566 1.914 1.768 0.000 0.000 -0.000 3/47040 820.0 2.535 1.890 1.746 0.000 0.000 -0.000 3/47040 830.0 2.505 1.868 1.725 0.000 0.000 -0.000 3/47040 840.0 2.475 1.845 1.704 0.000 0.000 -0.000 3/47040 850.0 2.446 1.823 1.684 0.000 0.000 -0.000 3/47040 860.0 2.418 1.802 1.664 0.000 0.000 -0.000 3/47040 870.0 2.390 1.781 1.645 0.000 0.000 -0.000 3/47040 880.0 2.363 1.761 1.626 0.000 0.000 -0.000 3/47040 890.0 2.337 1.741 1.608 0.000 0.000 -0.000 3/47040 900.0 2.311 1.721 1.590 0.000 0.000 -0.000 3/47040 910.0 2.286 1.702 1.572 0.000 0.000 -0.000 3/47040 920.0 2.261 1.684 1.555 0.000 0.000 -0.000 3/47040 930.0 2.237 1.666 1.538 0.000 0.000 -0.000 3/47040 940.0 2.213 1.648 1.522 0.000 0.000 -0.000 3/47040 950.0 2.190 1.630 1.506 0.000 0.000 -0.000 3/47040 960.0 2.167 1.613 1.490 0.000 0.000 -0.000 3/47040 970.0 2.145 1.597 1.474 0.000 0.000 -0.000 3/47040 980.0 2.123 1.580 1.459 0.000 0.000 -0.000 3/47040 990.0 2.102 1.564 1.444 0.000 0.000 -0.000 3/47040 1000.0 2.081 1.548 1.430 0.000 0.000 -0.000 3/47040 Thermal conductivity related properties were written into "kappa-m14145.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:57:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|