----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:24:49]------------------------- 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: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmmn (59) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.274909560000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.396764810000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.600780570000000 Atomic positions (fractional): *1 Li 0.23907789545863 0.19714511567604 0.74557941510508 6.941 2 Li 0.76092210454137 0.80285488432396 0.74557941510508 6.941 3 Li 0.73907789545863 0.30285488432396 0.25442058489491 6.941 4 Li 0.26092210454137 0.69714511567604 0.25442058489491 6.941 5 Li 0.26092210454137 0.30285488432396 0.25442058489491 6.941 6 Li 0.73907789545863 0.69714511567604 0.25442058489491 6.941 7 Li 0.76092210454137 0.19714511567604 0.74557941510508 6.941 8 Li 0.23907789545863 0.80285488432396 0.74557941510508 6.941 *9 Li 0.00000000000000 0.50000000000000 0.79476022101886 6.941 10 Li 0.50000000000000 0.00000000000000 0.20523977898114 6.941 *11 O 0.00000000000000 0.23353816486834 0.01502158680987 15.999 12 O 0.00000000000000 0.76646183513166 0.01502158680987 15.999 *13 O 0.73764371400853 0.50000000000000 0.56928219336072 15.999 14 O 0.26235628599147 0.50000000000000 0.56928219336072 15.999 15 O 0.23764371400853 0.00000000000000 0.43071780663928 15.999 16 O 0.76235628599147 0.00000000000000 0.43071780663928 15.999 17 O 0.50000000000000 0.73353816486834 0.98497841319013 15.999 18 O 0.50000000000000 0.26646183513166 0.98497841319013 15.999 *19 Al 0.00000000000000 0.00000000000000 0.22452322146867 26.982 20 Al 0.50000000000000 0.50000000000000 0.77547677853133 26.982 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.274909560000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.396764810000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.600780570000000 Atomic positions (fractional): *1 Li 0.23907789545863 0.19714511567604 0.74557941510508 6.941 > 1 2 Li 0.76092210454137 0.80285488432396 0.74557941510508 6.941 > 2 3 Li 0.73907789545863 0.30285488432396 0.25442058489491 6.941 > 3 4 Li 0.26092210454137 0.69714511567604 0.25442058489491 6.941 > 4 5 Li 0.26092210454137 0.30285488432396 0.25442058489491 6.941 > 5 6 Li 0.73907789545863 0.69714511567604 0.25442058489491 6.941 > 6 7 Li 0.76092210454137 0.19714511567604 0.74557941510508 6.941 > 7 8 Li 0.23907789545863 0.80285488432396 0.74557941510508 6.941 > 8 *9 Li 0.00000000000000 0.50000000000000 0.79476022101886 6.941 > 9 10 Li 0.50000000000000 0.00000000000000 0.20523977898114 6.941 > 10 *11 O 0.00000000000000 0.23353816486834 0.01502158680987 15.999 > 11 12 O 0.00000000000000 0.76646183513166 0.01502158680987 15.999 > 12 *13 O 0.73764371400853 0.50000000000000 0.56928219336072 15.999 > 13 14 O 0.26235628599147 0.50000000000000 0.56928219336072 15.999 > 14 15 O 0.23764371400853 0.00000000000000 0.43071780663928 15.999 > 15 16 O 0.76235628599147 0.00000000000000 0.43071780663928 15.999 > 16 17 O 0.50000000000000 0.73353816486834 0.98497841319013 15.999 > 17 18 O 0.50000000000000 0.26646183513166 0.98497841319013 15.999 > 18 *19 Al 0.00000000000000 0.00000000000000 0.22452322146867 26.982 > 19 20 Al 0.50000000000000 0.50000000000000 0.77547677853133 26.982 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.549819120000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.396764810000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.201561140000001 Atomic positions (fractional): *1 Li 0.11953894772932 0.19714511567604 0.37278970755254 6.941 > 1 2 Li 0.61953894772931 0.19714511567604 0.37278970755254 6.941 > 1 3 Li 0.11953894772932 0.19714511567604 0.87278970755254 6.941 > 1 4 Li 0.61953894772931 0.19714511567604 0.87278970755254 6.941 > 1 5 Li 0.38046105227068 0.80285488432396 0.37278970755254 6.941 > 2 6 Li 0.88046105227069 0.80285488432396 0.37278970755254 6.941 > 2 7 Li 0.38046105227068 0.80285488432396 0.87278970755254 6.941 > 2 8 Li 0.88046105227069 0.80285488432396 0.87278970755254 6.941 > 2 9 Li 0.36953894772932 0.30285488432396 0.12721029244746 6.941 > 3 10 Li 0.86953894772931 0.30285488432396 0.12721029244746 6.941 > 3 11 Li 0.36953894772932 0.30285488432396 0.62721029244746 6.941 > 3 12 Li 0.86953894772931 0.30285488432396 0.62721029244746 6.941 > 3 13 Li 0.13046105227068 0.69714511567604 0.12721029244746 6.941 > 4 14 Li 0.63046105227069 0.69714511567604 0.12721029244746 6.941 > 4 15 Li 0.13046105227068 0.69714511567604 0.62721029244746 6.941 > 4 16 Li 0.63046105227069 0.69714511567604 0.62721029244746 6.941 > 4 17 Li 0.13046105227068 0.30285488432396 0.12721029244746 6.941 > 5 18 Li 0.63046105227069 0.30285488432396 0.12721029244746 6.941 > 5 19 Li 0.13046105227068 0.30285488432396 0.62721029244746 6.941 > 5 20 Li 0.63046105227069 0.30285488432396 0.62721029244746 6.941 > 5 21 Li 0.36953894772932 0.69714511567604 0.12721029244746 6.941 > 6 22 Li 0.86953894772931 0.69714511567604 0.12721029244746 6.941 > 6 23 Li 0.36953894772932 0.69714511567604 0.62721029244746 6.941 > 6 24 Li 0.86953894772931 0.69714511567604 0.62721029244746 6.941 > 6 25 Li 0.38046105227068 0.19714511567604 0.37278970755254 6.941 > 7 26 Li 0.88046105227069 0.19714511567604 0.37278970755254 6.941 > 7 27 Li 0.38046105227068 0.19714511567604 0.87278970755254 6.941 > 7 28 Li 0.88046105227069 0.19714511567604 0.87278970755254 6.941 > 7 29 Li 0.11953894772932 0.80285488432396 0.37278970755254 6.941 > 8 30 Li 0.61953894772931 0.80285488432396 0.37278970755254 6.941 > 8 31 Li 0.11953894772932 0.80285488432396 0.87278970755254 6.941 > 8 32 Li 0.61953894772931 0.80285488432396 0.87278970755254 6.941 > 8 *33 Li 0.00000000000000 0.50000000000000 0.39738011050943 6.941 > 9 34 Li 0.50000000000000 0.50000000000000 0.39738011050943 6.941 > 9 35 Li 0.00000000000000 0.50000000000000 0.89738011050943 6.941 > 9 36 Li 0.50000000000000 0.50000000000000 0.89738011050943 6.941 > 9 37 Li 0.25000000000000 0.00000000000000 0.10261988949057 6.941 > 10 38 Li 0.75000000000000 0.00000000000000 0.10261988949057 6.941 > 10 39 Li 0.25000000000000 0.00000000000000 0.60261988949057 6.941 > 10 40 Li 0.75000000000000 0.00000000000000 0.60261988949057 6.941 > 10 *41 O 0.00000000000000 0.23353816486834 0.00751079340493 15.999 > 11 42 O 0.50000000000000 0.23353816486834 0.00751079340493 15.999 > 11 43 O 0.00000000000000 0.23353816486834 0.50751079340493 15.999 > 11 44 O 0.50000000000000 0.23353816486834 0.50751079340493 15.999 > 11 45 O 0.00000000000000 0.76646183513166 0.00751079340493 15.999 > 12 46 O 0.50000000000000 0.76646183513166 0.00751079340493 15.999 > 12 47 O 0.00000000000000 0.76646183513166 0.50751079340493 15.999 > 12 48 O 0.50000000000000 0.76646183513166 0.50751079340493 15.999 > 12 *49 O 0.36882185700426 0.50000000000000 0.28464109668036 15.999 > 13 50 O 0.86882185700426 0.50000000000000 0.28464109668036 15.999 > 13 51 O 0.36882185700426 0.50000000000000 0.78464109668036 15.999 > 13 52 O 0.86882185700426 0.50000000000000 0.78464109668036 15.999 > 13 53 O 0.13117814299574 0.50000000000000 0.28464109668036 15.999 > 14 54 O 0.63117814299574 0.50000000000000 0.28464109668036 15.999 > 14 55 O 0.13117814299574 0.50000000000000 0.78464109668036 15.999 > 14 56 O 0.63117814299574 0.50000000000000 0.78464109668036 15.999 > 14 57 O 0.11882185700426 0.00000000000000 0.21535890331964 15.999 > 15 58 O 0.61882185700426 0.00000000000000 0.21535890331964 15.999 > 15 59 O 0.11882185700426 0.00000000000000 0.71535890331964 15.999 > 15 60 O 0.61882185700426 0.00000000000000 0.71535890331964 15.999 > 15 61 O 0.38117814299574 0.00000000000000 0.21535890331964 15.999 > 16 62 O 0.88117814299574 0.00000000000000 0.21535890331964 15.999 > 16 63 O 0.38117814299574 0.00000000000000 0.71535890331964 15.999 > 16 64 O 0.88117814299574 0.00000000000000 0.71535890331964 15.999 > 16 65 O 0.25000000000000 0.73353816486834 0.49248920659507 15.999 > 17 66 O 0.75000000000000 0.73353816486834 0.49248920659507 15.999 > 17 67 O 0.25000000000000 0.73353816486834 0.99248920659507 15.999 > 17 68 O 0.75000000000000 0.73353816486834 0.99248920659507 15.999 > 17 69 O 0.25000000000000 0.26646183513166 0.49248920659507 15.999 > 18 70 O 0.75000000000000 0.26646183513166 0.49248920659507 15.999 > 18 71 O 0.25000000000000 0.26646183513166 0.99248920659507 15.999 > 18 72 O 0.75000000000000 0.26646183513166 0.99248920659507 15.999 > 18 *73 Al 0.00000000000000 0.00000000000000 0.11226161073433 26.982 > 19 74 Al 0.50000000000000 0.00000000000000 0.11226161073433 26.982 > 19 75 Al 0.00000000000000 0.00000000000000 0.61226161073433 26.982 > 19 76 Al 0.50000000000000 0.00000000000000 0.61226161073433 26.982 > 19 77 Al 0.25000000000000 0.50000000000000 0.38773838926567 26.982 > 20 78 Al 0.75000000000000 0.50000000000000 0.38773838926567 26.982 > 20 79 Al 0.25000000000000 0.50000000000000 0.88773838926567 26.982 > 20 80 Al 0.75000000000000 0.50000000000000 0.88773838926567 26.982 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8123426 0.0000000 0.0000000 0.0000000 2.9244809 0.0000000 0.0000000 0.0000000 2.8097467 -------------------------- Born effective charges -------------------------- 1 Li 0.9202475 0.1144393 0.0037735 0.1128789 0.9757956 0.0136684 -0.0274121 0.0510644 0.9714349 2 Li 0.9202475 0.1144393 -0.0037735 0.1128789 0.9757956 -0.0136684 0.0274121 -0.0510644 0.9714349 3 Li 0.9202475 -0.1144393 -0.0037735 -0.1128789 0.9757956 0.0136684 0.0274121 0.0510644 0.9714349 4 Li 0.9202475 -0.1144393 0.0037735 -0.1128789 0.9757956 -0.0136684 -0.0274121 -0.0510644 0.9714349 5 Li 0.9202475 0.1144393 0.0037735 0.1128789 0.9757956 0.0136684 -0.0274121 0.0510644 0.9714349 6 Li 0.9202475 0.1144393 -0.0037735 0.1128789 0.9757956 -0.0136684 0.0274121 -0.0510644 0.9714349 7 Li 0.9202475 -0.1144393 -0.0037735 -0.1128789 0.9757956 0.0136684 0.0274121 0.0510644 0.9714349 8 Li 0.9202475 -0.1144393 0.0037735 -0.1128789 0.9757956 -0.0136684 -0.0274121 -0.0510644 0.9714349 9 Li 1.0396715 0.0000000 0.0000000 0.0000000 1.0609637 0.0000000 0.0000000 0.0000000 0.8551804 10 Li 1.0396715 0.0000000 0.0000000 0.0000000 1.0609637 0.0000000 0.0000000 0.0000000 0.8551804 11 O -1.6979109 0.0000000 0.0000000 0.0000000 -1.8954665 0.2975599 0.0000000 0.2846000 -1.6750015 12 O -1.6979109 0.0000000 0.0000000 0.0000000 -1.8954665 -0.2975599 0.0000000 -0.2846000 -1.6750015 13 O -1.7767052 0.0000000 0.1665324 0.0000000 -1.7087776 0.0000000 0.1630864 0.0000000 -1.7517803 14 O -1.7767052 0.0000000 -0.1665324 0.0000000 -1.7087776 0.0000000 -0.1630864 0.0000000 -1.7517803 15 O -1.7767052 0.0000000 -0.1665324 0.0000000 -1.7087776 0.0000000 -0.1630864 0.0000000 -1.7517803 16 O -1.7767052 0.0000000 0.1665324 0.0000000 -1.7087776 0.0000000 0.1630864 0.0000000 -1.7517803 17 O -1.6979109 0.0000000 0.0000000 0.0000000 -1.8954665 -0.2975599 0.0000000 -0.2846000 -1.6750015 18 O -1.6979109 0.0000000 0.0000000 0.0000000 -1.8954665 0.2975599 0.0000000 0.2846000 -1.6750015 19 Al 2.2285706 0.0000000 0.0000000 0.0000000 2.2443420 0.0000000 0.0000000 0.0000000 2.1126437 20 Al 2.2285706 0.0000000 0.0000000 0.0000000 2.2443420 0.0000000 0.0000000 0.0000000 2.1126437 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1016 Number of blocks in projector: 1016 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: 212 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 180 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 156 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 156 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 156 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 156 Use standard eigh solver. Tree of FC basis block matrices: - (1016, 991), data: False |-- (156, 151), data: True |-- (156, 154), data: True |-- (156, 151), data: True |-- (156, 151), data: True |-- (180, 176), data: True |-- (212, 208), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 320 - Time: 0.757 Solver_block: 200 / 320 - Time: 0.763 Solver_block: 300 / 320 - Time: 0.763 Solver_block: 320 / 320 - Time: 0.191 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.492 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1016 Number of blocks in projector: 1016 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: 212 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 180 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 156 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 156 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 156 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 156 Use standard eigh solver. Tree of FC basis block matrices: - (1016, 991), data: False |-- (156, 151), data: True |-- (156, 154), data: True |-- (156, 151), data: True |-- (156, 151), data: True |-- (180, 176), data: True |-- (212, 208), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:25:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:25:02]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmmn (59) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.274909560000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.396764810000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.600780570000000 Atomic positions (fractional): 1 Li 0.23907789545863 0.19714511567604 0.74557941510508 6.941 2 Li 0.76092210454137 0.80285488432396 0.74557941510508 6.941 3 Li 0.73907789545863 0.30285488432396 0.25442058489491 6.941 4 Li 0.26092210454137 0.69714511567604 0.25442058489491 6.941 5 Li 0.26092210454137 0.30285488432396 0.25442058489491 6.941 6 Li 0.73907789545863 0.69714511567604 0.25442058489491 6.941 7 Li 0.76092210454137 0.19714511567604 0.74557941510508 6.941 8 Li 0.23907789545863 0.80285488432396 0.74557941510508 6.941 9 Li 0.00000000000000 0.50000000000000 0.79476022101886 6.941 10 Li 0.50000000000000 0.00000000000000 0.20523977898114 6.941 11 O 0.00000000000000 0.23353816486834 0.01502158680987 15.999 12 O 0.00000000000000 0.76646183513166 0.01502158680987 15.999 13 O 0.73764371400853 0.50000000000000 0.56928219336072 15.999 14 O 0.26235628599147 0.50000000000000 0.56928219336072 15.999 15 O 0.23764371400853 0.00000000000000 0.43071780663928 15.999 16 O 0.76235628599147 0.00000000000000 0.43071780663928 15.999 17 O 0.50000000000000 0.73353816486834 0.98497841319013 15.999 18 O 0.50000000000000 0.26646183513166 0.98497841319013 15.999 19 Al 0.00000000000000 0.00000000000000 0.22452322146867 26.982 20 Al 0.50000000000000 0.50000000000000 0.77547677853133 26.982 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.549819120000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.396764810000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.201561140000001 Atomic positions (fractional): 1 Li 0.11953894772932 0.19714511567604 0.37278970755254 6.941 > 1 2 Li 0.61953894772931 0.19714511567604 0.37278970755254 6.941 > 1 3 Li 0.11953894772932 0.19714511567604 0.87278970755254 6.941 > 1 4 Li 0.61953894772931 0.19714511567604 0.87278970755254 6.941 > 1 5 Li 0.38046105227068 0.80285488432396 0.37278970755254 6.941 > 5 6 Li 0.88046105227069 0.80285488432396 0.37278970755254 6.941 > 5 7 Li 0.38046105227068 0.80285488432396 0.87278970755254 6.941 > 5 8 Li 0.88046105227069 0.80285488432396 0.87278970755254 6.941 > 5 9 Li 0.36953894772932 0.30285488432396 0.12721029244746 6.941 > 9 10 Li 0.86953894772931 0.30285488432396 0.12721029244746 6.941 > 9 11 Li 0.36953894772932 0.30285488432396 0.62721029244746 6.941 > 9 12 Li 0.86953894772931 0.30285488432396 0.62721029244746 6.941 > 9 13 Li 0.13046105227068 0.69714511567604 0.12721029244746 6.941 > 13 14 Li 0.63046105227069 0.69714511567604 0.12721029244746 6.941 > 13 15 Li 0.13046105227068 0.69714511567604 0.62721029244746 6.941 > 13 16 Li 0.63046105227069 0.69714511567604 0.62721029244746 6.941 > 13 17 Li 0.13046105227068 0.30285488432396 0.12721029244746 6.941 > 17 18 Li 0.63046105227069 0.30285488432396 0.12721029244746 6.941 > 17 19 Li 0.13046105227068 0.30285488432396 0.62721029244746 6.941 > 17 20 Li 0.63046105227069 0.30285488432396 0.62721029244746 6.941 > 17 21 Li 0.36953894772932 0.69714511567604 0.12721029244746 6.941 > 21 22 Li 0.86953894772931 0.69714511567604 0.12721029244746 6.941 > 21 23 Li 0.36953894772932 0.69714511567604 0.62721029244746 6.941 > 21 24 Li 0.86953894772931 0.69714511567604 0.62721029244746 6.941 > 21 25 Li 0.38046105227068 0.19714511567604 0.37278970755254 6.941 > 25 26 Li 0.88046105227069 0.19714511567604 0.37278970755254 6.941 > 25 27 Li 0.38046105227068 0.19714511567604 0.87278970755254 6.941 > 25 28 Li 0.88046105227069 0.19714511567604 0.87278970755254 6.941 > 25 29 Li 0.11953894772932 0.80285488432396 0.37278970755254 6.941 > 29 30 Li 0.61953894772931 0.80285488432396 0.37278970755254 6.941 > 29 31 Li 0.11953894772932 0.80285488432396 0.87278970755254 6.941 > 29 32 Li 0.61953894772931 0.80285488432396 0.87278970755254 6.941 > 29 33 Li 0.00000000000000 0.50000000000000 0.39738011050943 6.941 > 33 34 Li 0.50000000000000 0.50000000000000 0.39738011050943 6.941 > 33 35 Li 0.00000000000000 0.50000000000000 0.89738011050943 6.941 > 33 36 Li 0.50000000000000 0.50000000000000 0.89738011050943 6.941 > 33 37 Li 0.25000000000000 0.00000000000000 0.10261988949057 6.941 > 37 38 Li 0.75000000000000 0.00000000000000 0.10261988949057 6.941 > 37 39 Li 0.25000000000000 0.00000000000000 0.60261988949057 6.941 > 37 40 Li 0.75000000000000 0.00000000000000 0.60261988949057 6.941 > 37 41 O 0.00000000000000 0.23353816486834 0.00751079340493 15.999 > 41 42 O 0.50000000000000 0.23353816486834 0.00751079340493 15.999 > 41 43 O 0.00000000000000 0.23353816486834 0.50751079340493 15.999 > 41 44 O 0.50000000000000 0.23353816486834 0.50751079340493 15.999 > 41 45 O 0.00000000000000 0.76646183513166 0.00751079340493 15.999 > 45 46 O 0.50000000000000 0.76646183513166 0.00751079340493 15.999 > 45 47 O 0.00000000000000 0.76646183513166 0.50751079340493 15.999 > 45 48 O 0.50000000000000 0.76646183513166 0.50751079340493 15.999 > 45 49 O 0.36882185700426 0.50000000000000 0.28464109668036 15.999 > 49 50 O 0.86882185700426 0.50000000000000 0.28464109668036 15.999 > 49 51 O 0.36882185700426 0.50000000000000 0.78464109668036 15.999 > 49 52 O 0.86882185700426 0.50000000000000 0.78464109668036 15.999 > 49 53 O 0.13117814299574 0.50000000000000 0.28464109668036 15.999 > 53 54 O 0.63117814299574 0.50000000000000 0.28464109668036 15.999 > 53 55 O 0.13117814299574 0.50000000000000 0.78464109668036 15.999 > 53 56 O 0.63117814299574 0.50000000000000 0.78464109668036 15.999 > 53 57 O 0.11882185700426 0.00000000000000 0.21535890331964 15.999 > 57 58 O 0.61882185700426 0.00000000000000 0.21535890331964 15.999 > 57 59 O 0.11882185700426 0.00000000000000 0.71535890331964 15.999 > 57 60 O 0.61882185700426 0.00000000000000 0.71535890331964 15.999 > 57 61 O 0.38117814299574 0.00000000000000 0.21535890331964 15.999 > 61 62 O 0.88117814299574 0.00000000000000 0.21535890331964 15.999 > 61 63 O 0.38117814299574 0.00000000000000 0.71535890331964 15.999 > 61 64 O 0.88117814299574 0.00000000000000 0.71535890331964 15.999 > 61 65 O 0.25000000000000 0.73353816486834 0.49248920659507 15.999 > 65 66 O 0.75000000000000 0.73353816486834 0.49248920659507 15.999 > 65 67 O 0.25000000000000 0.73353816486834 0.99248920659507 15.999 > 65 68 O 0.75000000000000 0.73353816486834 0.99248920659507 15.999 > 65 69 O 0.25000000000000 0.26646183513166 0.49248920659507 15.999 > 69 70 O 0.75000000000000 0.26646183513166 0.49248920659507 15.999 > 69 71 O 0.25000000000000 0.26646183513166 0.99248920659507 15.999 > 69 72 O 0.75000000000000 0.26646183513166 0.99248920659507 15.999 > 69 73 Al 0.00000000000000 0.00000000000000 0.11226161073433 26.982 > 73 74 Al 0.50000000000000 0.00000000000000 0.11226161073433 26.982 > 73 75 Al 0.00000000000000 0.00000000000000 0.61226161073433 26.982 > 73 76 Al 0.50000000000000 0.00000000000000 0.61226161073433 26.982 > 73 77 Al 0.25000000000000 0.50000000000000 0.38773838926567 26.982 > 77 78 Al 0.75000000000000 0.50000000000000 0.38773838926567 26.982 > 77 79 Al 0.25000000000000 0.50000000000000 0.88773838926567 26.982 > 77 80 Al 0.75000000000000 0.50000000000000 0.88773838926567 26.982 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8123426 0.0000000 0.0000000 0.0000000 2.9244809 0.0000000 0.0000000 0.0000000 2.8097467 -------------------------- Born effective charges -------------------------- 1 Li 0.9202475 0.1144393 0.0037735 0.1128789 0.9757956 0.0136684 -0.0274121 0.0510644 0.9714349 2 Li 0.9202475 0.1144393 -0.0037735 0.1128789 0.9757956 -0.0136684 0.0274121 -0.0510644 0.9714349 3 Li 0.9202475 -0.1144393 -0.0037735 -0.1128789 0.9757956 0.0136684 0.0274121 0.0510644 0.9714349 4 Li 0.9202475 -0.1144393 0.0037735 -0.1128789 0.9757956 -0.0136684 -0.0274121 -0.0510644 0.9714349 5 Li 0.9202475 0.1144393 0.0037735 0.1128789 0.9757956 0.0136684 -0.0274121 0.0510644 0.9714349 6 Li 0.9202475 0.1144393 -0.0037735 0.1128789 0.9757956 -0.0136684 0.0274121 -0.0510644 0.9714349 7 Li 0.9202475 -0.1144393 -0.0037735 -0.1128789 0.9757956 0.0136684 0.0274121 0.0510644 0.9714349 8 Li 0.9202475 -0.1144393 0.0037735 -0.1128789 0.9757956 -0.0136684 -0.0274121 -0.0510644 0.9714349 9 Li 1.0396715 0.0000000 0.0000000 0.0000000 1.0609637 0.0000000 0.0000000 0.0000000 0.8551804 10 Li 1.0396715 0.0000000 0.0000000 0.0000000 1.0609637 0.0000000 0.0000000 0.0000000 0.8551804 11 O -1.6979109 0.0000000 0.0000000 0.0000000 -1.8954665 0.2975599 0.0000000 0.2846000 -1.6750015 12 O -1.6979109 0.0000000 0.0000000 0.0000000 -1.8954665 -0.2975599 0.0000000 -0.2846000 -1.6750015 13 O -1.7767052 0.0000000 0.1665324 0.0000000 -1.7087776 0.0000000 0.1630864 0.0000000 -1.7517803 14 O -1.7767052 0.0000000 -0.1665324 0.0000000 -1.7087776 0.0000000 -0.1630864 0.0000000 -1.7517803 15 O -1.7767052 0.0000000 -0.1665324 0.0000000 -1.7087776 0.0000000 -0.1630864 0.0000000 -1.7517803 16 O -1.7767052 0.0000000 0.1665324 0.0000000 -1.7087776 0.0000000 0.1630864 0.0000000 -1.7517803 17 O -1.6979109 0.0000000 0.0000000 0.0000000 -1.8954665 -0.2975599 0.0000000 -0.2846000 -1.6750015 18 O -1.6979109 0.0000000 0.0000000 0.0000000 -1.8954665 0.2975599 0.0000000 0.2846000 -1.6750015 19 Al 2.2285706 0.0000000 0.0000000 0.0000000 2.2443420 0.0000000 0.0000000 0.0000000 2.1126437 20 Al 2.2285706 0.0000000 0.0000000 0.0000000 2.2443420 0.0000000 0.0000000 0.0000000 2.1126437 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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: 0.00000009 (yzy) 0.00000009 (yzy) 0.00000009 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (zx) -0.00000001 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:25:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:25:12]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmmn (59) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.274909560000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.396764810000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.600780570000000 Atomic positions (fractional): 1 Li 0.23907789545863 0.19714511567604 0.74557941510508 6.941 2 Li 0.76092210454137 0.80285488432396 0.74557941510508 6.941 3 Li 0.73907789545863 0.30285488432396 0.25442058489491 6.941 4 Li 0.26092210454137 0.69714511567604 0.25442058489491 6.941 5 Li 0.26092210454137 0.30285488432396 0.25442058489491 6.941 6 Li 0.73907789545863 0.69714511567604 0.25442058489491 6.941 7 Li 0.76092210454137 0.19714511567604 0.74557941510508 6.941 8 Li 0.23907789545863 0.80285488432396 0.74557941510508 6.941 9 Li 0.00000000000000 0.50000000000000 0.79476022101886 6.941 10 Li 0.50000000000000 0.00000000000000 0.20523977898114 6.941 11 O 0.00000000000000 0.23353816486834 0.01502158680987 15.999 12 O 0.00000000000000 0.76646183513166 0.01502158680987 15.999 13 O 0.73764371400853 0.50000000000000 0.56928219336072 15.999 14 O 0.26235628599147 0.50000000000000 0.56928219336072 15.999 15 O 0.23764371400853 0.00000000000000 0.43071780663928 15.999 16 O 0.76235628599147 0.00000000000000 0.43071780663928 15.999 17 O 0.50000000000000 0.73353816486834 0.98497841319013 15.999 18 O 0.50000000000000 0.26646183513166 0.98497841319013 15.999 19 Al 0.00000000000000 0.00000000000000 0.22452322146867 26.982 20 Al 0.50000000000000 0.50000000000000 0.77547677853133 26.982 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.549819120000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.396764810000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.201561140000001 Atomic positions (fractional): 1 Li 0.11953894772932 0.19714511567604 0.37278970755254 6.941 > 1 2 Li 0.61953894772931 0.19714511567604 0.37278970755254 6.941 > 1 3 Li 0.11953894772932 0.19714511567604 0.87278970755254 6.941 > 1 4 Li 0.61953894772931 0.19714511567604 0.87278970755254 6.941 > 1 5 Li 0.38046105227068 0.80285488432396 0.37278970755254 6.941 > 5 6 Li 0.88046105227069 0.80285488432396 0.37278970755254 6.941 > 5 7 Li 0.38046105227068 0.80285488432396 0.87278970755254 6.941 > 5 8 Li 0.88046105227069 0.80285488432396 0.87278970755254 6.941 > 5 9 Li 0.36953894772932 0.30285488432396 0.12721029244746 6.941 > 9 10 Li 0.86953894772931 0.30285488432396 0.12721029244746 6.941 > 9 11 Li 0.36953894772932 0.30285488432396 0.62721029244746 6.941 > 9 12 Li 0.86953894772931 0.30285488432396 0.62721029244746 6.941 > 9 13 Li 0.13046105227068 0.69714511567604 0.12721029244746 6.941 > 13 14 Li 0.63046105227069 0.69714511567604 0.12721029244746 6.941 > 13 15 Li 0.13046105227068 0.69714511567604 0.62721029244746 6.941 > 13 16 Li 0.63046105227069 0.69714511567604 0.62721029244746 6.941 > 13 17 Li 0.13046105227068 0.30285488432396 0.12721029244746 6.941 > 17 18 Li 0.63046105227069 0.30285488432396 0.12721029244746 6.941 > 17 19 Li 0.13046105227068 0.30285488432396 0.62721029244746 6.941 > 17 20 Li 0.63046105227069 0.30285488432396 0.62721029244746 6.941 > 17 21 Li 0.36953894772932 0.69714511567604 0.12721029244746 6.941 > 21 22 Li 0.86953894772931 0.69714511567604 0.12721029244746 6.941 > 21 23 Li 0.36953894772932 0.69714511567604 0.62721029244746 6.941 > 21 24 Li 0.86953894772931 0.69714511567604 0.62721029244746 6.941 > 21 25 Li 0.38046105227068 0.19714511567604 0.37278970755254 6.941 > 25 26 Li 0.88046105227069 0.19714511567604 0.37278970755254 6.941 > 25 27 Li 0.38046105227068 0.19714511567604 0.87278970755254 6.941 > 25 28 Li 0.88046105227069 0.19714511567604 0.87278970755254 6.941 > 25 29 Li 0.11953894772932 0.80285488432396 0.37278970755254 6.941 > 29 30 Li 0.61953894772931 0.80285488432396 0.37278970755254 6.941 > 29 31 Li 0.11953894772932 0.80285488432396 0.87278970755254 6.941 > 29 32 Li 0.61953894772931 0.80285488432396 0.87278970755254 6.941 > 29 33 Li 0.00000000000000 0.50000000000000 0.39738011050943 6.941 > 33 34 Li 0.50000000000000 0.50000000000000 0.39738011050943 6.941 > 33 35 Li 0.00000000000000 0.50000000000000 0.89738011050943 6.941 > 33 36 Li 0.50000000000000 0.50000000000000 0.89738011050943 6.941 > 33 37 Li 0.25000000000000 0.00000000000000 0.10261988949057 6.941 > 37 38 Li 0.75000000000000 0.00000000000000 0.10261988949057 6.941 > 37 39 Li 0.25000000000000 0.00000000000000 0.60261988949057 6.941 > 37 40 Li 0.75000000000000 0.00000000000000 0.60261988949057 6.941 > 37 41 O 0.00000000000000 0.23353816486834 0.00751079340493 15.999 > 41 42 O 0.50000000000000 0.23353816486834 0.00751079340493 15.999 > 41 43 O 0.00000000000000 0.23353816486834 0.50751079340493 15.999 > 41 44 O 0.50000000000000 0.23353816486834 0.50751079340493 15.999 > 41 45 O 0.00000000000000 0.76646183513166 0.00751079340493 15.999 > 45 46 O 0.50000000000000 0.76646183513166 0.00751079340493 15.999 > 45 47 O 0.00000000000000 0.76646183513166 0.50751079340493 15.999 > 45 48 O 0.50000000000000 0.76646183513166 0.50751079340493 15.999 > 45 49 O 0.36882185700426 0.50000000000000 0.28464109668036 15.999 > 49 50 O 0.86882185700426 0.50000000000000 0.28464109668036 15.999 > 49 51 O 0.36882185700426 0.50000000000000 0.78464109668036 15.999 > 49 52 O 0.86882185700426 0.50000000000000 0.78464109668036 15.999 > 49 53 O 0.13117814299574 0.50000000000000 0.28464109668036 15.999 > 53 54 O 0.63117814299574 0.50000000000000 0.28464109668036 15.999 > 53 55 O 0.13117814299574 0.50000000000000 0.78464109668036 15.999 > 53 56 O 0.63117814299574 0.50000000000000 0.78464109668036 15.999 > 53 57 O 0.11882185700426 0.00000000000000 0.21535890331964 15.999 > 57 58 O 0.61882185700426 0.00000000000000 0.21535890331964 15.999 > 57 59 O 0.11882185700426 0.00000000000000 0.71535890331964 15.999 > 57 60 O 0.61882185700426 0.00000000000000 0.71535890331964 15.999 > 57 61 O 0.38117814299574 0.00000000000000 0.21535890331964 15.999 > 61 62 O 0.88117814299574 0.00000000000000 0.21535890331964 15.999 > 61 63 O 0.38117814299574 0.00000000000000 0.71535890331964 15.999 > 61 64 O 0.88117814299574 0.00000000000000 0.71535890331964 15.999 > 61 65 O 0.25000000000000 0.73353816486834 0.49248920659507 15.999 > 65 66 O 0.75000000000000 0.73353816486834 0.49248920659507 15.999 > 65 67 O 0.25000000000000 0.73353816486834 0.99248920659507 15.999 > 65 68 O 0.75000000000000 0.73353816486834 0.99248920659507 15.999 > 65 69 O 0.25000000000000 0.26646183513166 0.49248920659507 15.999 > 69 70 O 0.75000000000000 0.26646183513166 0.49248920659507 15.999 > 69 71 O 0.25000000000000 0.26646183513166 0.99248920659507 15.999 > 69 72 O 0.75000000000000 0.26646183513166 0.99248920659507 15.999 > 69 73 Al 0.00000000000000 0.00000000000000 0.11226161073433 26.982 > 73 74 Al 0.50000000000000 0.00000000000000 0.11226161073433 26.982 > 73 75 Al 0.00000000000000 0.00000000000000 0.61226161073433 26.982 > 73 76 Al 0.50000000000000 0.00000000000000 0.61226161073433 26.982 > 73 77 Al 0.25000000000000 0.50000000000000 0.38773838926567 26.982 > 77 78 Al 0.75000000000000 0.50000000000000 0.38773838926567 26.982 > 77 79 Al 0.25000000000000 0.50000000000000 0.88773838926567 26.982 > 77 80 Al 0.75000000000000 0.50000000000000 0.88773838926567 26.982 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.8123426 0.0000000 0.0000000 0.0000000 2.9244809 0.0000000 0.0000000 0.0000000 2.8097467 -------------------------- Born effective charges -------------------------- 1 Li 0.9202475 0.1144393 0.0037735 0.1128789 0.9757956 0.0136684 -0.0274121 0.0510644 0.9714349 2 Li 0.9202475 0.1144393 -0.0037735 0.1128789 0.9757956 -0.0136684 0.0274121 -0.0510644 0.9714349 3 Li 0.9202475 -0.1144393 -0.0037735 -0.1128789 0.9757956 0.0136684 0.0274121 0.0510644 0.9714349 4 Li 0.9202475 -0.1144393 0.0037735 -0.1128789 0.9757956 -0.0136684 -0.0274121 -0.0510644 0.9714349 5 Li 0.9202475 0.1144393 0.0037735 0.1128789 0.9757956 0.0136684 -0.0274121 0.0510644 0.9714349 6 Li 0.9202475 0.1144393 -0.0037735 0.1128789 0.9757956 -0.0136684 0.0274121 -0.0510644 0.9714349 7 Li 0.9202475 -0.1144393 -0.0037735 -0.1128789 0.9757956 0.0136684 0.0274121 0.0510644 0.9714349 8 Li 0.9202475 -0.1144393 0.0037735 -0.1128789 0.9757956 -0.0136684 -0.0274121 -0.0510644 0.9714349 9 Li 1.0396715 0.0000000 0.0000000 0.0000000 1.0609637 0.0000000 0.0000000 0.0000000 0.8551804 10 Li 1.0396715 0.0000000 0.0000000 0.0000000 1.0609637 0.0000000 0.0000000 0.0000000 0.8551804 11 O -1.6979109 0.0000000 0.0000000 0.0000000 -1.8954665 0.2975599 0.0000000 0.2846000 -1.6750015 12 O -1.6979109 0.0000000 0.0000000 0.0000000 -1.8954665 -0.2975599 0.0000000 -0.2846000 -1.6750015 13 O -1.7767052 0.0000000 0.1665324 0.0000000 -1.7087776 0.0000000 0.1630864 0.0000000 -1.7517803 14 O -1.7767052 0.0000000 -0.1665324 0.0000000 -1.7087776 0.0000000 -0.1630864 0.0000000 -1.7517803 15 O -1.7767052 0.0000000 -0.1665324 0.0000000 -1.7087776 0.0000000 -0.1630864 0.0000000 -1.7517803 16 O -1.7767052 0.0000000 0.1665324 0.0000000 -1.7087776 0.0000000 0.1630864 0.0000000 -1.7517803 17 O -1.6979109 0.0000000 0.0000000 0.0000000 -1.8954665 -0.2975599 0.0000000 -0.2846000 -1.6750015 18 O -1.6979109 0.0000000 0.0000000 0.0000000 -1.8954665 0.2975599 0.0000000 0.2846000 -1.6750015 19 Al 2.2285706 0.0000000 0.0000000 0.0000000 2.2443420 0.0000000 0.0000000 0.0000000 2.1126437 20 Al 2.2285706 0.0000000 0.0000000 0.0000000 2.2443420 0.0000000 0.0000000 0.0000000 2.1126437 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000009 (yzy) 0.00000009 (yzy) 0.00000009 (yyz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- 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 ... [ 8 8 11 ] 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: 307, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/150) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 150 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 5.278 ( 0.000 0.000 0.000) 0.000 5.793 ( 0.000 0.000 0.000) 0.000 6.801 ( 0.000 0.000 0.000) 0.000 7.021 ( 0.000 0.000 0.000) 0.000 7.132 ( 0.000 0.000 0.000) 0.000 7.377 ( 0.000 0.000 0.000) 0.000 7.553 ( 0.000 0.000 0.000) 0.000 7.944 ( 0.000 0.000 0.000) 0.000 8.353 ( 0.000 0.000 0.000) 0.000 8.361 ( 0.000 0.000 0.000) 0.000 8.818 ( 0.000 0.000 0.000) 0.000 9.210 ( 0.000 0.000 0.000) 0.000 9.401 ( 0.000 0.000 0.000) 0.000 9.405 ( 0.000 0.000 0.000) 0.000 9.651 ( 0.000 0.000 0.000) 0.000 9.805 ( 0.000 0.000 0.000) 0.000 9.809 ( 0.000 0.000 0.000) 0.000 10.064 ( 0.000 0.000 0.000) 0.000 10.269 ( 0.000 0.000 0.000) 0.000 10.875 ( 0.000 0.000 0.000) 0.000 10.927 ( 0.000 0.000 0.000) 0.000 11.105 ( 0.000 0.000 0.000) 0.000 11.217 ( 0.000 0.000 0.000) 0.000 11.251 ( 0.000 0.000 0.000) 0.000 11.692 ( 0.000 0.000 0.000) 0.000 11.834 ( 0.000 0.000 0.000) 0.000 12.561 ( 0.000 0.000 0.000) 0.000 13.265 ( 0.000 0.000 0.000) 0.000 13.404 ( 0.000 0.000 0.000) 0.000 13.596 ( 0.000 0.000 0.000) 0.000 13.624 ( 0.000 0.000 0.000) 0.000 13.773 ( 0.000 0.000 0.000) 0.000 13.820 ( 0.000 0.000 0.000) 0.000 13.920 ( 0.000 0.000 0.000) 0.000 14.144 ( 0.000 0.000 0.000) 0.000 14.639 ( 0.000 0.000 0.000) 0.000 14.653 ( 0.000 0.000 0.000) 0.000 15.029 ( 0.000 0.000 0.000) 0.000 15.108 ( 0.000 0.000 0.000) 0.000 15.900 ( 0.000 0.000 0.000) 0.000 15.928 ( 0.000 0.000 0.000) 0.000 16.706 ( 0.000 0.000 0.000) 0.000 17.121 ( 0.000 0.000 0.000) 0.000 17.264 ( 0.000 0.000 0.000) 0.000 17.483 ( 0.000 0.000 0.000) 0.000 18.279 ( 0.000 0.000 0.000) 0.000 18.619 ( 0.000 0.000 0.000) 0.000 18.872 ( 0.000 0.000 0.000) 0.000 18.896 ( 0.000 0.000 0.000) 0.000 20.169 ( 0.000 0.000 0.000) 0.000 21.567 ( 0.000 0.000 0.000) 0.000 21.774 ( 0.000 0.000 0.000) 0.000 21.933 ( 0.000 0.000 0.000) 0.000 22.267 ( 0.000 0.000 0.000) 0.000 22.339 ( 0.000 0.000 0.000) 0.000 22.466 ( 0.000 0.000 0.000) 0.000 22.658 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/150) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 42.979 0.000 0.000) 42.979 0.908 ( 46.680 0.000 0.000) 46.680 1.680 ( 83.236 0.000 0.000) 83.236 5.082 ( -16.610 0.000 0.000) 16.610 6.020 ( 19.206 0.000 0.000) 19.206 6.759 ( -33.069 0.000 0.000) 33.069 6.816 ( 1.566 0.000 0.000) 1.566 7.158 ( 12.175 0.000 0.000) 12.175 7.388 ( 1.061 0.000 0.000) 1.061 7.502 ( -4.508 0.000 0.000) 4.508 8.006 ( 5.354 0.000 0.000) 5.354 8.352 ( -0.947 0.000 0.000) 0.947 8.365 ( -0.650 0.000 0.000) 0.650 8.918 ( -27.718 0.000 0.000) 27.718 9.099 ( -10.833 0.000 0.000) 10.833 9.196 ( 29.020 0.000 0.000) 29.020 9.236 ( -14.466 0.000 0.000) 14.466 9.848 ( -2.586 0.000 0.000) 2.586 9.902 ( 8.052 0.000 0.000) 8.052 10.095 ( 1.538 0.000 0.000) 1.538 10.153 ( 28.956 0.000 0.000) 28.956 10.190 ( -5.773 0.000 0.000) 5.773 10.903 ( 3.955 0.000 0.000) 3.955 11.223 ( 0.723 0.000 0.000) 0.723 11.226 ( 11.166 0.000 0.000) 11.166 11.254 ( 0.646 0.000 0.000) 0.646 11.275 ( 14.541 0.000 0.000) 14.541 11.652 ( -3.481 0.000 0.000) 3.481 11.774 ( -5.705 0.000 0.000) 5.705 12.497 ( -5.855 0.000 0.000) 5.855 13.208 ( -5.336 0.000 0.000) 5.336 13.336 ( -6.423 0.000 0.000) 6.423 13.587 ( -0.623 0.000 0.000) 0.623 13.696 ( 6.209 0.000 0.000) 6.209 13.812 ( 3.641 0.000 0.000) 3.641 13.903 ( -1.671 0.000 0.000) 1.671 14.152 ( 0.276 0.000 0.000) 0.276 14.474 ( -14.764 0.000 0.000) 14.764 14.635 ( -3.162 0.000 0.000) 3.162 14.748 ( -10.542 0.000 0.000) 10.542 15.212 ( 11.103 0.000 0.000) 11.103 15.879 ( -1.800 0.000 0.000) 1.800 16.008 ( 7.618 0.000 0.000) 7.618 16.691 ( -0.928 0.000 0.000) 0.928 17.139 ( 1.599 0.000 0.000) 1.599 17.167 ( -6.903 0.000 0.000) 6.903 17.293 ( -2.131 0.000 0.000) 2.131 17.612 ( 9.851 0.000 0.000) 9.851 18.324 ( 4.406 0.000 0.000) 4.406 18.591 ( -2.751 0.000 0.000) 2.751 18.871 ( -0.223 0.000 0.000) 0.223 19.366 ( -33.298 0.000 0.000) 33.298 20.629 ( 25.674 0.000 0.000) 25.674 21.517 ( -4.730 0.000 0.000) 4.730 21.719 ( -7.658 0.000 0.000) 7.658 21.947 ( 1.426 0.000 0.000) 1.426 21.986 ( -13.873 0.000 0.000) 13.873 22.321 ( -1.777 0.000 0.000) 1.777 23.036 ( 25.716 0.000 0.000) 25.716 25.010 ( -3.741 0.000 0.000) 3.741 ======================= Grid point 2 (3/150) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 42.898 0.000 0.000) 42.898 1.870 ( 49.803 0.000 0.000) 49.803 3.291 ( 77.731 0.000 0.000) 77.731 4.663 ( -25.266 0.000 0.000) 25.266 5.964 ( -44.379 0.000 0.000) 44.379 6.477 ( 25.467 0.000 0.000) 25.467 6.866 ( 3.568 0.000 0.000) 3.568 7.367 ( 3.224 0.000 0.000) 3.224 7.394 ( -6.118 0.000 0.000) 6.118 7.414 ( 1.377 0.000 0.000) 1.377 8.120 ( 5.100 0.000 0.000) 5.100 8.322 ( -2.204 0.000 0.000) 2.204 8.409 ( 4.553 0.000 0.000) 4.553 8.426 ( -20.351 0.000 0.000) 20.351 8.833 ( -12.814 0.000 0.000) 12.814 8.890 ( -19.148 0.000 0.000) 19.148 9.720 ( 8.235 0.000 0.000) 8.235 9.880 ( 19.633 0.000 0.000) 19.633 9.933 ( -12.270 0.000 0.000) 12.270 10.103 ( 11.770 0.000 0.000) 11.770 10.271 ( 9.551 0.000 0.000) 9.551 10.645 ( 17.219 0.000 0.000) 17.219 11.034 ( 8.391 0.000 0.000) 8.391 11.250 ( 1.919 0.000 0.000) 1.919 11.322 ( 8.643 0.000 0.000) 8.643 11.465 ( -2.572 0.000 0.000) 2.572 11.497 ( 14.794 0.000 0.000) 14.794 11.628 ( -8.167 0.000 0.000) 8.167 11.696 ( 13.374 0.000 0.000) 13.374 12.343 ( -9.598 0.000 0.000) 9.598 13.074 ( -7.382 0.000 0.000) 7.382 13.184 ( -7.057 0.000 0.000) 7.057 13.586 ( 0.798 0.000 0.000) 0.798 13.834 ( 7.026 0.000 0.000) 7.026 13.855 ( -3.143 0.000 0.000) 3.143 13.910 ( 6.076 0.000 0.000) 6.076 14.073 ( -24.576 0.000 0.000) 24.576 14.112 ( -5.414 0.000 0.000) 5.414 14.538 ( -6.364 0.000 0.000) 6.364 14.543 ( -9.939 0.000 0.000) 9.939 15.427 ( 10.258 0.000 0.000) 10.258 15.842 ( -1.700 0.000 0.000) 1.700 16.207 ( 11.687 0.000 0.000) 11.687 16.702 ( 2.753 0.000 0.000) 2.753 17.025 ( -7.351 0.000 0.000) 7.351 17.184 ( 3.224 0.000 0.000) 3.224 17.229 ( -4.277 0.000 0.000) 4.277 17.822 ( 10.800 0.000 0.000) 10.800 18.444 ( 7.251 0.000 0.000) 7.251 18.511 ( -5.250 0.000 0.000) 5.250 18.691 ( -32.683 0.000 0.000) 32.683 18.865 ( -1.603 0.000 0.000) 1.603 21.076 ( 17.990 0.000 0.000) 17.990 21.403 ( -5.326 0.000 0.000) 5.326 21.459 ( -14.445 0.000 0.000) 14.445 21.852 ( -2.952 0.000 0.000) 2.952 21.988 ( 2.628 0.000 0.000) 2.628 22.271 ( -3.114 0.000 0.000) 3.114 23.551 ( 25.131 0.000 0.000) 25.131 24.896 ( -7.779 0.000 0.000) 7.779 ======================= Grid point 3 (4/150) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.557 ( 41.782 0.000 0.000) 41.782 2.885 ( 51.792 0.000 0.000) 51.792 4.081 ( -33.003 0.000 0.000) 33.003 4.622 ( 27.880 0.000 0.000) 27.880 5.169 ( -7.467 0.000 0.000) 7.467 6.961 ( 5.961 0.000 0.000) 5.961 6.983 ( 23.774 0.000 0.000) 23.774 7.073 ( -33.656 0.000 0.000) 33.656 7.257 ( -7.592 0.000 0.000) 7.592 7.430 ( -0.380 0.000 0.000) 0.380 8.073 ( -8.208 0.000 0.000) 8.208 8.241 ( -7.206 0.000 0.000) 7.206 8.265 ( 3.384 0.000 0.000) 3.384 8.529 ( -14.861 0.000 0.000) 14.861 8.529 ( 6.960 0.000 0.000) 6.960 8.704 ( -1.185 0.000 0.000) 1.185 9.708 ( -2.193 0.000 0.000) 2.193 9.727 ( -6.924 0.000 0.000) 6.924 10.354 ( 13.040 0.000 0.000) 13.040 10.392 ( 22.877 0.000 0.000) 22.877 10.491 ( 11.536 0.000 0.000) 11.536 10.760 ( -3.589 0.000 0.000) 3.589 11.137 ( -1.738 0.000 0.000) 1.738 11.249 ( -4.846 0.000 0.000) 4.846 11.440 ( 6.265 0.000 0.000) 6.265 11.527 ( 1.227 0.000 0.000) 1.227 11.636 ( 19.084 0.000 0.000) 19.084 11.771 ( 11.489 0.000 0.000) 11.489 11.900 ( 2.529 0.000 0.000) 2.529 12.111 ( -13.498 0.000 0.000) 13.498 12.958 ( -2.481 0.000 0.000) 2.481 13.168 ( 8.136 0.000 0.000) 8.136 13.541 ( -27.245 0.000 0.000) 27.245 13.624 ( 2.937 0.000 0.000) 2.937 13.782 ( -4.124 0.000 0.000) 4.124 13.857 ( -13.366 0.000 0.000) 13.366 14.021 ( 5.046 0.000 0.000) 5.046 14.050 ( 7.856 0.000 0.000) 7.856 14.352 ( -9.307 0.000 0.000) 9.307 14.390 ( -8.300 0.000 0.000) 8.300 15.612 ( 8.081 0.000 0.000) 8.081 15.808 ( -2.096 0.000 0.000) 2.096 16.449 ( 12.127 0.000 0.000) 12.127 16.812 ( 7.825 0.000 0.000) 7.825 16.868 ( -8.610 0.000 0.000) 8.610 17.124 ( -6.314 0.000 0.000) 6.314 17.295 ( 8.922 0.000 0.000) 8.922 18.032 ( 10.140 0.000 0.000) 10.140 18.068 ( -28.794 0.000 0.000) 28.794 18.385 ( -7.317 0.000 0.000) 7.317 18.597 ( 7.679 0.000 0.000) 7.679 18.824 ( -3.109 0.000 0.000) 3.109 21.200 ( -3.590 0.000 0.000) 3.590 21.230 ( -7.903 0.000 0.000) 7.903 21.475 ( 11.454 0.000 0.000) 11.454 21.790 ( -4.023 0.000 0.000) 4.023 22.049 ( 3.468 0.000 0.000) 3.468 22.201 ( -3.804 0.000 0.000) 3.804 24.019 ( 21.637 0.000 0.000) 21.637 24.697 ( -12.261 0.000 0.000) 12.261 ======================= Grid point 4 (5/150) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.363 ( -38.667 0.000 0.000) 38.667 3.363 ( 38.667 0.000 0.000) 38.667 3.915 ( -50.877 0.000 0.000) 50.877 3.915 ( 50.877 0.000 0.000) 50.877 6.142 ( -56.498 0.000 0.000) 56.498 6.142 ( 56.498 0.000 0.000) 56.498 7.100 ( -7.811 0.000 0.000) 7.811 7.100 ( 7.811 0.000 0.000) 7.811 7.344 ( -10.567 0.000 0.000) 10.567 7.344 ( 10.567 0.000 0.000) 10.567 8.052 ( -7.131 0.000 0.000) 7.131 8.052 ( 7.131 0.000 0.000) 7.131 8.350 ( -5.061 0.000 0.000) 5.061 8.350 ( 5.061 0.000 0.000) 5.061 8.657 ( -4.897 0.000 0.000) 4.897 8.657 ( 4.897 0.000 0.000) 4.897 9.673 ( -0.629 0.000 0.000) 0.629 9.673 ( 0.629 0.000 0.000) 0.629 10.600 ( -11.031 0.000 0.000) 11.031 10.600 ( 11.031 0.000 0.000) 11.031 10.650 ( -0.138 0.000 0.000) 0.138 10.650 ( 0.138 0.000 0.000) 0.138 11.105 ( -4.496 0.000 0.000) 4.496 11.105 ( 4.496 0.000 0.000) 4.496 11.602 ( -1.487 0.000 0.000) 1.487 11.602 ( 1.487 0.000 0.000) 1.487 11.881 ( -4.233 0.000 0.000) 4.233 11.881 ( 4.233 0.000 0.000) 4.233 11.884 ( -2.673 0.000 0.000) 2.673 11.884 ( 2.673 0.000 0.000) 2.673 13.078 ( -16.193 0.000 0.000) 16.193 13.078 ( 16.193 0.000 0.000) 16.193 13.485 ( -20.448 0.000 0.000) 20.448 13.485 ( 20.448 0.000 0.000) 20.448 13.697 ( -4.187 0.000 0.000) 4.187 13.697 ( 4.187 0.000 0.000) 4.187 14.173 ( -8.602 0.000 0.000) 8.602 14.173 ( 8.602 0.000 0.000) 8.602 14.217 ( -8.766 0.000 0.000) 8.766 14.217 ( 8.766 0.000 0.000) 8.766 15.742 ( -4.874 0.000 0.000) 4.874 15.742 ( 4.874 0.000 0.000) 4.874 16.677 ( -10.569 0.000 0.000) 10.569 16.677 ( 10.569 0.000 0.000) 10.569 16.979 ( -8.168 0.000 0.000) 8.168 16.979 ( 8.168 0.000 0.000) 8.168 17.576 ( -19.752 0.000 0.000) 19.752 17.576 ( 19.752 0.000 0.000) 19.752 18.223 ( -8.924 0.000 0.000) 8.924 18.223 ( 8.924 0.000 0.000) 8.924 18.734 ( -5.858 0.000 0.000) 5.858 18.734 ( 5.858 0.000 0.000) 5.858 21.151 ( -0.169 0.000 0.000) 0.169 21.151 ( 0.169 0.000 0.000) 0.169 21.674 ( -7.840 0.000 0.000) 7.840 21.674 ( 7.840 0.000 0.000) 7.840 22.123 ( -3.884 0.000 0.000) 3.884 22.123 ( 3.884 0.000 0.000) 3.884 24.405 ( -17.048 0.000 0.000) 17.048 24.405 ( 17.048 0.000 0.000) 17.048 ======================= Grid point 9 (6/150) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( 0.000 44.597 0.000) 44.597 1.108 ( 0.000 56.660 0.000) 56.660 1.547 ( 0.000 78.063 0.000) 78.063 5.403 ( 0.000 11.985 0.000) 11.985 5.554 ( 0.000 -22.448 0.000) 22.448 6.764 ( 0.000 -28.063 0.000) 28.063 7.062 ( 0.000 1.192 0.000) 1.192 7.180 ( 0.000 -18.345 0.000) 18.345 7.585 ( 0.000 1.597 0.000) 1.597 7.601 ( 0.000 12.325 0.000) 12.325 7.972 ( 0.000 2.736 0.000) 2.736 8.365 ( 0.000 0.592 0.000) 0.592 8.705 ( 0.000 -20.972 0.000) 20.972 8.741 ( 0.000 -5.440 0.000) 5.440 9.157 ( 0.000 9.396 0.000) 9.396 9.477 ( 0.000 -16.562 0.000) 16.562 9.705 ( 0.000 -4.012 0.000) 4.012 9.839 ( 0.000 4.139 0.000) 4.139 9.880 ( 0.000 0.397 0.000) 0.397 9.946 ( 0.000 19.871 0.000) 19.871 10.108 ( 0.000 12.094 0.000) 12.094 10.171 ( 0.000 -10.345 0.000) 10.345 10.876 ( 0.000 0.428 0.000) 0.428 10.937 ( 0.000 2.638 0.000) 2.638 11.196 ( 0.000 0.419 0.000) 0.419 11.238 ( 0.000 11.514 0.000) 11.514 11.282 ( 0.000 -0.322 0.000) 0.322 11.691 ( 0.000 0.036 0.000) 0.036 11.780 ( 0.000 -4.386 0.000) 4.386 12.559 ( 0.000 0.047 0.000) 0.047 13.274 ( 0.000 -0.024 0.000) 0.024 13.366 ( 0.000 -25.394 0.000) 25.394 13.378 ( 0.000 -2.629 0.000) 2.629 13.632 ( 0.000 2.760 0.000) 2.760 13.681 ( 0.000 5.456 0.000) 5.456 13.793 ( 0.000 -2.730 0.000) 2.730 14.243 ( 0.000 -21.312 0.000) 21.312 14.533 ( 0.000 24.406 0.000) 24.406 14.643 ( 0.000 -1.183 0.000) 1.183 15.095 ( 0.000 -1.125 0.000) 1.125 15.316 ( 0.000 20.311 0.000) 20.311 15.739 ( 0.000 -5.909 0.000) 5.909 16.156 ( 0.000 13.083 0.000) 13.083 16.755 ( 0.000 4.676 0.000) 4.676 16.840 ( 0.000 0.605 0.000) 0.605 17.149 ( 0.000 3.170 0.000) 3.170 17.301 ( 0.000 3.744 0.000) 3.744 18.251 ( 0.000 -2.820 0.000) 2.820 18.457 ( 0.000 -19.607 0.000) 19.607 18.630 ( 0.000 1.097 0.000) 1.097 18.836 ( 0.000 -6.083 0.000) 6.083 18.900 ( 0.000 0.498 0.000) 0.498 20.332 ( 0.000 14.787 0.000) 14.787 21.536 ( 0.000 -2.958 0.000) 2.958 21.748 ( 0.000 -2.780 0.000) 2.780 21.918 ( 0.000 -17.779 0.000) 17.779 22.466 ( 0.000 0.044 0.000) 0.044 22.644 ( 0.000 -1.370 0.000) 1.370 22.726 ( 0.000 21.840 0.000) 21.840 24.574 ( 0.000 -4.946 0.000) 4.946 ======================= Grid point 10 (7/150) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( 29.746 32.849 0.000) 44.316 1.425 ( 29.017 43.260 0.000) 52.090 2.255 ( 60.591 51.332 0.000) 79.412 5.200 ( -16.575 11.060 0.000) 19.927 5.777 ( 18.325 -22.751 0.000) 29.213 6.565 ( -19.779 -16.186 0.000) 25.558 7.167 ( 8.218 -2.052 0.000) 8.471 7.182 ( -1.733 -13.995 0.000) 14.102 7.327 ( -17.051 13.600 0.000) 21.811 7.535 ( -4.167 2.751 0.000) 4.994 8.015 ( 3.621 0.863 0.000) 3.723 8.200 ( -9.515 -0.398 0.000) 9.523 8.623 ( -5.622 -9.643 0.000) 11.162 8.782 ( -12.863 17.643 0.000) 21.835 9.109 ( 8.033 0.556 0.000) 8.052 9.329 ( -14.612 0.695 0.000) 14.629 9.407 ( -3.946 8.945 0.000) 9.776 9.769 ( 4.152 -2.475 0.000) 4.834 10.010 ( 4.798 4.833 0.000) 6.811 10.047 ( 6.371 1.312 0.000) 6.505 10.095 ( -6.030 -9.818 0.000) 11.522 10.221 ( 11.659 6.695 0.000) 13.445 10.864 ( 2.694 -2.091 0.000) 3.410 11.181 ( 14.679 -2.989 0.000) 14.980 11.234 ( 3.290 1.004 0.000) 3.440 11.261 ( -1.524 -1.033 0.000) 1.841 11.354 ( 10.511 8.765 0.000) 13.686 11.656 ( -2.738 0.576 0.000) 2.798 11.722 ( -5.509 -4.157 0.000) 6.902 12.508 ( -4.766 1.289 0.000) 4.937 13.233 ( -3.977 1.437 0.000) 4.228 13.304 ( -6.623 -2.953 0.000) 7.251 13.378 ( 1.159 -24.755 0.000) 24.782 13.546 ( -3.794 -2.527 0.000) 4.558 13.797 ( -1.255 -9.664 0.000) 9.745 13.822 ( 8.542 7.335 0.000) 11.260 14.268 ( -4.489 -16.673 0.000) 17.267 14.514 ( -11.920 -1.903 0.000) 12.071 14.557 ( 2.255 25.466 0.000) 25.565 14.970 ( -1.521 9.433 0.000) 9.555 15.406 ( 3.007 15.350 0.000) 15.641 15.774 ( 2.648 -4.894 0.000) 5.564 16.175 ( 2.545 11.512 0.000) 11.790 16.738 ( -1.062 4.521 0.000) 4.644 16.972 ( 6.719 -8.483 0.000) 10.821 17.166 ( 1.419 3.030 0.000) 3.346 17.256 ( -3.737 2.863 0.000) 4.708 18.009 ( -13.322 13.805 0.000) 19.185 18.293 ( 4.146 -3.099 0.000) 5.176 18.603 ( -2.680 1.146 0.000) 2.915 18.811 ( -1.930 -8.213 0.000) 8.437 19.051 ( -11.280 -18.396 0.000) 21.580 20.654 ( 25.152 6.273 0.000) 25.922 21.473 ( -5.546 -3.312 0.000) 6.460 21.688 ( -9.958 -3.841 0.000) 10.673 21.811 ( -4.360 -11.962 0.000) 12.732 22.164 ( -13.421 10.913 0.000) 17.298 22.430 ( -7.792 5.976 0.000) 9.820 23.131 ( 24.522 9.750 0.000) 26.389 24.816 ( 8.867 -12.719 0.000) 15.505 ======================= Grid point 11 (8/150) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( 36.871 20.313 0.000) 42.097 2.156 ( 42.427 27.320 0.000) 50.462 3.599 ( 69.612 29.944 0.000) 75.779 4.770 ( -26.260 9.718 0.000) 28.001 5.960 ( -39.039 -1.168 0.000) 39.056 6.229 ( 25.537 -23.377 0.000) 34.621 7.041 ( -3.738 9.165 0.000) 9.898 7.215 ( -6.978 -12.720 0.000) 14.509 7.260 ( 1.932 -14.047 0.000) 14.180 7.486 ( -0.114 8.833 0.000) 8.834 8.084 ( -3.027 -10.626 0.000) 11.049 8.090 ( 4.038 -1.763 0.000) 4.407 8.574 ( -0.051 12.443 0.000) 12.443 8.623 ( -3.870 12.553 0.000) 13.136 8.898 ( -16.722 0.784 0.000) 16.740 8.932 ( -22.659 6.066 0.000) 23.456 9.795 ( 20.364 2.946 0.000) 20.576 9.818 ( 5.826 -2.973 0.000) 6.540 9.896 ( -10.276 -3.336 0.000) 10.804 10.183 ( 12.707 7.732 0.000) 14.875 10.224 ( 9.763 -4.781 0.000) 10.871 10.513 ( 14.529 -9.455 0.000) 17.335 10.980 ( 8.338 -4.449 0.000) 9.451 11.179 ( -4.857 -6.696 0.000) 8.272 11.379 ( 1.621 -4.857 0.000) 5.120 11.385 ( 10.575 2.880 0.000) 10.961 11.590 ( -6.537 -2.338 0.000) 6.943 11.617 ( 14.060 4.988 0.000) 14.919 11.664 ( 6.744 0.284 0.000) 6.750 12.373 ( -9.073 3.121 0.000) 9.595 13.129 ( -5.824 4.281 0.000) 7.228 13.146 ( -7.682 -3.693 0.000) 8.524 13.409 ( 1.730 -23.023 0.000) 23.088 13.499 ( -0.884 -9.409 0.000) 9.451 13.739 ( -4.542 -13.760 0.000) 14.490 13.963 ( 4.515 6.755 0.000) 8.125 14.018 ( -19.146 -3.695 0.000) 19.499 14.254 ( -11.871 -5.936 0.000) 13.272 14.611 ( 2.997 29.549 0.000) 29.700 14.992 ( 0.437 20.366 0.000) 20.370 15.466 ( 4.259 5.388 0.000) 6.868 15.807 ( 0.254 -2.010 0.000) 2.026 16.283 ( 8.335 6.666 0.000) 10.673 16.745 ( 2.561 4.147 0.000) 4.874 16.996 ( -3.754 -3.240 0.000) 4.959 17.194 ( -2.485 -0.566 0.000) 2.548 17.203 ( 2.517 2.172 0.000) 3.325 17.945 ( 3.360 8.382 0.000) 9.030 18.406 ( 6.739 -3.714 0.000) 7.695 18.526 ( -4.920 1.310 0.000) 5.091 18.553 ( -25.669 -12.811 0.000) 28.688 18.841 ( -3.169 -2.200 0.000) 3.857 21.107 ( 17.332 3.230 0.000) 17.631 21.358 ( -3.923 -3.765 0.000) 5.437 21.414 ( -13.802 -4.533 0.000) 14.528 21.784 ( -0.517 -5.381 0.000) 5.406 22.028 ( -2.243 3.257 0.000) 3.955 22.309 ( -5.254 2.604 0.000) 5.864 23.624 ( 24.140 7.202 0.000) 25.191 24.848 ( -3.833 -4.701 0.000) 6.065 ======================= Grid point 12 (9/150) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.688 ( 38.901 12.454 0.000) 40.846 3.065 ( 47.967 17.905 0.000) 51.200 4.170 ( -33.456 7.965 0.000) 34.391 4.774 ( 14.405 14.853 0.000) 20.691 5.260 ( 2.486 9.196 0.000) 9.526 6.689 ( 10.794 -22.581 0.000) 25.029 6.962 ( -10.220 -9.719 0.000) 14.104 7.066 ( 5.240 8.015 0.000) 9.576 7.288 ( -0.270 -14.893 0.000) 14.896 7.424 ( -7.324 12.092 0.000) 14.137 8.024 ( -3.668 -14.020 0.000) 14.492 8.180 ( 2.599 1.590 0.000) 3.047 8.319 ( -19.520 11.798 0.000) 22.808 8.534 ( -10.005 3.019 0.000) 10.451 8.654 ( -1.836 6.270 0.000) 6.533 8.743 ( 0.480 2.667 0.000) 2.710 9.754 ( -2.792 3.007 0.000) 4.103 9.804 ( -1.234 7.634 0.000) 7.733 10.237 ( 17.903 -9.348 0.000) 20.197 10.433 ( 10.535 -6.277 0.000) 12.263 10.470 ( 13.479 6.009 0.000) 14.757 10.687 ( 0.362 -7.218 0.000) 7.227 11.101 ( -1.722 -11.875 0.000) 11.999 11.109 ( 0.491 -2.718 0.000) 2.762 11.397 ( 7.310 -3.115 0.000) 7.946 11.474 ( -1.083 -4.022 0.000) 4.165 11.681 ( 15.127 1.633 0.000) 15.215 11.787 ( 1.749 -5.540 0.000) 5.809 11.856 ( 8.231 1.811 0.000) 8.428 12.134 ( -14.825 2.707 0.000) 15.070 13.036 ( -2.169 6.021 0.000) 6.400 13.088 ( 3.612 -7.542 0.000) 8.362 13.424 ( -1.403 -21.553 0.000) 21.599 13.511 ( 2.140 -12.435 0.000) 12.618 13.519 ( -20.370 -4.591 0.000) 20.881 13.694 ( -7.643 -6.507 0.000) 10.038 13.980 ( -2.109 5.633 0.000) 6.015 14.062 ( -7.574 -5.604 0.000) 9.422 14.689 ( 5.250 34.184 0.000) 34.585 14.942 ( -5.088 31.295 0.000) 31.706 15.581 ( 6.694 -2.911 0.000) 7.299 15.784 ( -2.527 -1.787 0.000) 3.095 16.483 ( 10.920 3.138 0.000) 11.362 16.851 ( 7.669 3.759 0.000) 8.541 16.874 ( -7.792 0.414 0.000) 7.803 17.128 ( -4.529 0.697 0.000) 4.582 17.292 ( 7.398 -0.020 0.000) 7.398 17.958 ( -17.797 -5.431 0.000) 18.607 18.123 ( -0.713 3.010 0.000) 3.093 18.401 ( -6.828 1.431 0.000) 6.976 18.556 ( 7.323 -4.028 0.000) 8.358 18.784 ( -3.481 -3.815 0.000) 5.165 21.169 ( -4.285 -2.951 0.000) 5.203 21.196 ( -7.561 -3.327 0.000) 8.261 21.501 ( 12.078 2.593 0.000) 12.353 21.762 ( -2.073 -2.298 0.000) 3.094 22.031 ( 2.107 -1.577 0.000) 2.632 22.204 ( -5.351 0.039 0.000) 5.352 24.073 ( 20.676 5.222 0.000) 21.325 24.702 ( -10.459 0.127 0.000) 10.460 ======================= Grid point 13 (10/150) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.456 ( -37.684 8.602 0.000) 38.653 3.456 ( 37.684 8.602 0.000) 38.653 4.035 ( -48.504 12.097 0.000) 49.990 4.035 ( 48.504 12.097 0.000) 49.990 6.160 ( -46.220 2.510 0.000) 46.288 6.160 ( 46.220 2.510 0.000) 46.288 7.176 ( -11.415 -15.926 0.000) 19.594 7.176 ( 11.415 -15.926 0.000) 19.594 7.230 ( -9.549 10.305 0.000) 14.049 7.230 ( 9.549 10.305 0.000) 14.049 7.999 ( -4.652 -3.402 0.000) 5.764 7.999 ( 4.652 -3.402 0.000) 5.764 8.340 ( -7.767 0.801 0.000) 7.809 8.340 ( 7.767 0.801 0.000) 7.809 8.706 ( -3.861 3.175 0.000) 4.999 8.706 ( 3.861 3.175 0.000) 4.999 9.765 ( -2.305 8.251 0.000) 8.567 9.765 ( 2.305 8.251 0.000) 8.567 10.534 ( -10.971 -8.700 0.000) 14.002 10.534 ( 10.971 -8.700 0.000) 14.002 10.597 ( -1.183 -3.465 0.000) 3.661 10.597 ( 1.183 -3.465 0.000) 3.661 11.080 ( -0.350 -1.779 0.000) 1.813 11.080 ( 0.350 -1.779 0.000) 1.813 11.535 ( -2.731 -6.567 0.000) 7.112 11.535 ( 2.731 -6.567 0.000) 7.112 11.829 ( -11.305 -2.363 0.000) 11.550 11.829 ( 11.305 -2.363 0.000) 11.550 11.910 ( -4.377 -0.067 0.000) 4.378 11.910 ( 4.377 -0.067 0.000) 4.378 13.108 ( -9.260 -1.409 0.000) 9.367 13.108 ( 9.260 -1.409 0.000) 9.367 13.314 ( -7.555 -8.996 0.000) 11.748 13.314 ( 7.555 -8.996 0.000) 11.748 13.581 ( -4.669 -11.992 0.000) 12.868 13.581 ( 4.669 -11.992 0.000) 12.868 13.961 ( -1.981 0.432 0.000) 2.027 13.961 ( 1.981 0.432 0.000) 2.027 14.816 ( -6.954 34.633 0.000) 35.324 14.816 ( 6.954 34.633 0.000) 35.324 15.706 ( -5.313 -3.427 0.000) 6.322 15.706 ( 5.313 -3.427 0.000) 6.322 16.695 ( -10.040 1.677 0.000) 10.179 16.695 ( 10.040 1.677 0.000) 10.179 17.010 ( -7.281 2.982 0.000) 7.868 17.010 ( 7.281 2.982 0.000) 7.868 17.538 ( -17.826 -3.389 0.000) 18.145 17.538 ( 17.826 -3.389 0.000) 18.145 18.252 ( -7.868 2.459 0.000) 8.243 18.252 ( 7.868 2.459 0.000) 8.243 18.691 ( -5.880 -4.302 0.000) 7.286 18.691 ( 5.880 -4.302 0.000) 7.286 21.119 ( -0.228 -3.046 0.000) 3.055 21.119 ( 0.228 -3.046 0.000) 3.055 21.685 ( -6.207 1.111 0.000) 6.306 21.685 ( 6.207 1.111 0.000) 6.306 22.101 ( -4.682 -2.106 0.000) 5.134 22.101 ( 4.682 -2.106 0.000) 5.134 24.439 ( -15.872 3.044 0.000) 16.161 24.439 ( 15.872 3.044 0.000) 16.161 ======================= Grid point 18 (11/150) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 0.000 44.899 0.000) 44.899 2.211 ( 0.000 55.981 0.000) 55.981 3.026 ( 0.000 72.451 0.000) 72.451 4.997 ( 0.000 -33.166 0.000) 33.166 5.681 ( 0.000 13.901 0.000) 13.901 6.117 ( 0.000 -37.658 0.000) 37.658 6.755 ( 0.000 -22.723 0.000) 22.723 6.887 ( 0.000 -19.988 0.000) 19.988 7.660 ( 0.000 8.842 0.000) 8.842 7.807 ( 0.000 8.409 0.000) 8.409 8.034 ( 0.000 2.732 0.000) 2.732 8.356 ( 0.000 -1.825 0.000) 1.825 8.579 ( 0.000 5.962 0.000) 5.962 8.651 ( 0.000 -3.248 0.000) 3.248 9.075 ( 0.000 -22.160 0.000) 22.160 9.342 ( 0.000 7.812 0.000) 7.812 9.625 ( 0.000 -6.160 0.000) 6.160 9.837 ( 0.000 -2.485 0.000) 2.485 9.889 ( 0.000 -17.074 0.000) 17.074 9.935 ( 0.000 6.209 0.000) 6.209 10.014 ( 0.000 -1.067 0.000) 1.067 10.586 ( 0.000 24.234 0.000) 24.234 10.906 ( 0.000 2.978 0.000) 2.978 11.034 ( 0.000 6.354 0.000) 6.354 11.146 ( 0.000 -10.285 0.000) 10.285 11.251 ( 0.000 0.186 0.000) 0.186 11.498 ( 0.000 14.156 0.000) 14.156 11.701 ( 0.000 1.202 0.000) 1.202 11.722 ( 0.000 -0.579 0.000) 0.579 12.580 ( 0.000 2.544 0.000) 2.544 12.851 ( 0.000 -24.720 0.000) 24.720 13.299 ( 0.000 -5.752 0.000) 5.752 13.323 ( 0.000 3.101 0.000) 3.101 13.662 ( 0.000 -0.474 0.000) 0.474 13.719 ( 0.000 -4.723 0.000) 4.723 13.831 ( 0.000 9.596 0.000) 9.596 13.843 ( 0.000 -18.058 0.000) 18.058 14.595 ( 0.000 -4.095 0.000) 4.095 14.944 ( 0.000 16.470 0.000) 16.470 15.080 ( 0.000 0.139 0.000) 0.139 15.687 ( 0.000 16.425 0.000) 16.425 15.705 ( 0.000 2.627 0.000) 2.627 16.416 ( 0.000 13.319 0.000) 13.319 16.856 ( 0.000 1.010 0.000) 1.010 16.872 ( 0.000 6.824 0.000) 6.824 17.260 ( 0.000 8.523 0.000) 8.523 17.403 ( 0.000 6.430 0.000) 6.430 18.018 ( 0.000 -24.029 0.000) 24.029 18.174 ( 0.000 -4.790 0.000) 4.790 18.659 ( 0.000 1.761 0.000) 1.761 18.662 ( 0.000 -11.625 0.000) 11.625 18.883 ( 0.000 -2.029 0.000) 2.029 20.667 ( 0.000 17.985 0.000) 17.985 21.462 ( 0.000 -4.217 0.000) 4.217 21.598 ( 0.000 -12.803 0.000) 12.803 21.682 ( 0.000 -5.853 0.000) 5.853 22.470 ( 0.000 0.411 0.000) 0.411 22.607 ( 0.000 -2.278 0.000) 2.278 23.150 ( 0.000 21.242 0.000) 21.242 24.431 ( 0.000 -9.554 0.000) 9.554 ======================= Grid point 19 (12/150) ======================= q-point: ( 0.12 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( 20.050 40.457 0.000) 45.152 2.371 ( 16.125 51.187 0.000) 53.666 3.403 ( 36.528 61.518 0.000) 71.545 5.199 ( 18.720 -33.248 0.000) 38.156 5.458 ( -19.878 11.173 0.000) 22.803 6.081 ( -4.636 -32.412 0.000) 32.742 6.781 ( 2.480 -22.192 0.000) 22.330 6.959 ( 4.280 -16.988 0.000) 17.519 7.505 ( -23.102 7.195 0.000) 24.196 7.672 ( 1.857 11.472 0.000) 11.621 8.046 ( 0.965 1.917 0.000) 2.146 8.217 ( -9.336 0.195 0.000) 9.338 8.637 ( 5.494 7.633 0.000) 9.405 8.870 ( 8.021 -3.250 0.000) 8.655 9.063 ( -2.035 -21.352 0.000) 21.448 9.275 ( -5.600 9.568 0.000) 11.086 9.514 ( -11.599 2.165 0.000) 11.800 9.782 ( 6.405 3.224 0.000) 7.171 9.834 ( -3.922 -14.912 0.000) 15.419 10.059 ( 10.164 1.523 0.000) 10.278 10.087 ( 6.519 0.111 0.000) 6.520 10.496 ( -8.119 19.082 0.000) 20.738 10.875 ( -0.573 3.283 0.000) 3.332 11.113 ( -4.147 -12.304 0.000) 12.984 11.161 ( 8.919 0.744 0.000) 8.950 11.276 ( 3.083 0.321 0.000) 3.100 11.545 ( 3.236 8.788 0.000) 9.365 11.672 ( -4.536 -0.345 0.000) 4.549 11.693 ( 1.099 4.107 0.000) 4.252 12.557 ( -2.192 4.008 0.000) 4.568 12.873 ( 1.791 -24.214 0.000) 24.280 13.228 ( -6.861 -4.890 0.000) 8.425 13.286 ( -3.348 1.670 0.000) 3.742 13.543 ( -7.217 1.857 0.000) 7.452 13.550 ( -8.346 -14.067 0.000) 16.356 13.962 ( 8.051 6.681 0.000) 10.462 14.005 ( 5.216 -10.245 0.000) 11.497 14.472 ( -11.529 -3.100 0.000) 11.939 14.986 ( 4.079 16.713 0.000) 17.204 15.073 ( 2.027 2.708 0.000) 3.383 15.729 ( 1.957 15.922 0.000) 16.042 15.755 ( 4.360 3.501 0.000) 5.592 16.412 ( -0.036 12.590 0.000) 12.590 16.850 ( -1.534 6.436 0.000) 6.616 16.890 ( 2.748 -1.498 0.000) 3.130 17.272 ( 0.779 8.171 0.000) 8.208 17.333 ( -5.862 4.143 0.000) 7.178 18.001 ( -0.270 -11.662 0.000) 11.665 18.208 ( 3.411 -5.385 0.000) 6.374 18.552 ( -9.771 -13.499 0.000) 16.665 18.632 ( -2.642 1.739 0.000) 3.163 18.875 ( -2.986 -4.234 0.000) 5.181 20.854 ( 16.605 12.683 0.000) 20.895 21.397 ( -5.945 -4.121 0.000) 7.234 21.520 ( -9.159 -10.844 0.000) 14.194 21.660 ( 0.164 -5.230 0.000) 5.232 22.298 ( -12.501 4.160 0.000) 13.175 22.488 ( -8.164 0.366 0.000) 8.172 23.394 ( 19.607 16.069 0.000) 25.351 24.584 ( 10.499 -11.750 0.000) 15.758 ======================= Grid point 20 (13/150) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.445 ( 25.910 31.628 0.000) 40.886 2.842 ( 30.469 40.782 0.000) 50.907 4.345 ( 53.634 42.625 0.000) 68.509 4.945 ( -29.333 3.351 0.000) 29.524 5.691 ( 27.537 -26.696 0.000) 38.353 5.843 ( -21.466 -13.365 0.000) 25.287 6.846 ( 3.794 -20.946 0.000) 21.287 6.957 ( -5.188 -11.834 0.000) 12.921 7.130 ( -10.508 -1.067 0.000) 10.562 7.725 ( 1.689 14.243 0.000) 14.343 8.022 ( -9.447 1.676 0.000) 9.595 8.082 ( 3.582 0.861 0.000) 3.684 8.733 ( -0.253 -2.730 0.000) 2.742 8.845 ( -5.530 3.426 0.000) 6.505 8.963 ( -6.985 -0.677 0.000) 7.017 8.971 ( -17.927 12.855 0.000) 22.059 9.630 ( 13.061 -11.392 0.000) 17.331 9.785 ( -0.554 -7.471 0.000) 7.491 9.933 ( 7.869 6.124 0.000) 9.971 10.194 ( 1.011 4.980 0.000) 5.081 10.356 ( 17.901 8.212 0.000) 19.695 10.395 ( 3.634 -2.219 0.000) 4.258 10.915 ( 4.894 -0.978 0.000) 4.991 10.979 ( -8.229 -13.136 0.000) 15.501 11.276 ( 1.347 -5.720 0.000) 5.877 11.374 ( 5.743 -3.461 0.000) 6.705 11.580 ( -3.110 0.579 0.000) 3.163 11.604 ( 3.347 -1.016 0.000) 3.498 11.789 ( 7.046 6.778 0.000) 9.777 12.467 ( -8.016 6.292 0.000) 10.190 12.909 ( 1.526 -22.288 0.000) 22.340 13.053 ( -9.459 -5.380 0.000) 10.882 13.220 ( -2.301 -2.693 0.000) 3.542 13.411 ( -5.998 -16.490 0.000) 17.547 13.427 ( -4.088 4.168 0.000) 5.838 13.971 ( -8.191 -1.827 0.000) 8.392 14.078 ( 2.964 4.616 0.000) 5.485 14.196 ( -13.609 -1.863 0.000) 13.736 15.099 ( 6.944 17.548 0.000) 18.872 15.209 ( 10.690 2.958 0.000) 11.092 15.713 ( -3.688 17.979 0.000) 18.353 15.836 ( 2.416 6.600 0.000) 7.029 16.439 ( 3.463 9.202 0.000) 9.832 16.845 ( 1.753 5.436 0.000) 5.711 16.928 ( 0.094 -2.996 0.000) 2.997 17.222 ( -4.495 2.082 0.000) 4.954 17.283 ( 0.455 6.347 0.000) 6.363 18.034 ( 3.285 -0.447 0.000) 3.315 18.265 ( -18.562 -14.686 0.000) 23.669 18.305 ( 6.059 -6.421 0.000) 8.828 18.555 ( -4.965 1.615 0.000) 5.221 18.785 ( -4.865 -3.436 0.000) 5.956 21.180 ( 5.939 2.336 0.000) 6.381 21.297 ( -11.337 -6.622 0.000) 13.129 21.299 ( 5.032 -0.280 0.000) 5.040 21.685 ( 1.832 -4.563 0.000) 4.917 22.094 ( -7.363 3.375 0.000) 8.100 22.336 ( -7.225 -0.140 0.000) 7.226 23.814 ( 21.150 11.674 0.000) 24.158 24.721 ( 2.498 -8.096 0.000) 8.472 ======================= Grid point 21 (14/150) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.011 ( 30.665 20.149 0.000) 36.692 3.547 ( 39.297 30.236 0.000) 49.584 4.317 ( -32.996 4.916 0.000) 33.360 5.125 ( -21.347 17.493 0.000) 27.599 5.504 ( 32.575 14.314 0.000) 35.582 6.218 ( 22.662 -24.063 0.000) 33.054 6.769 ( -12.643 -8.516 0.000) 15.244 6.875 ( -2.829 -24.574 0.000) 24.736 7.153 ( 12.269 0.606 0.000) 12.284 7.685 ( -5.526 13.455 0.000) 14.545 7.875 ( -4.304 -0.666 0.000) 4.355 8.198 ( 5.982 1.704 0.000) 6.220 8.453 ( -23.163 -2.185 0.000) 23.266 8.650 ( -13.381 7.614 0.000) 15.396 8.768 ( -2.161 7.336 0.000) 7.647 8.866 ( -4.588 10.316 0.000) 11.290 9.833 ( 5.010 4.100 0.000) 6.474 9.839 ( 7.071 -9.547 0.000) 11.881 10.107 ( 9.935 1.209 0.000) 10.009 10.260 ( 7.864 -8.856 0.000) 11.843 10.495 ( -0.924 -12.339 0.000) 12.373 10.604 ( 3.093 6.321 0.000) 7.037 10.895 ( 4.140 -7.464 0.000) 8.535 11.048 ( 5.033 -2.977 0.000) 5.847 11.348 ( 11.227 -2.023 0.000) 11.408 11.393 ( -3.320 -4.065 0.000) 5.249 11.598 ( -4.759 -11.120 0.000) 12.095 11.664 ( 10.748 -3.065 0.000) 11.177 11.912 ( 3.676 1.955 0.000) 4.164 12.213 ( -17.370 4.517 0.000) 17.948 12.908 ( -4.191 -9.597 0.000) 10.472 12.912 ( -1.357 -16.689 0.000) 16.744 13.218 ( 1.863 -7.872 0.000) 8.089 13.313 ( -3.601 -12.422 0.000) 12.933 13.393 ( 1.025 7.042 0.000) 7.116 13.714 ( -14.633 6.667 0.000) 16.080 14.020 ( -4.382 -1.422 0.000) 4.607 14.073 ( -3.039 3.498 0.000) 4.633 15.253 ( 8.361 18.482 0.000) 20.285 15.447 ( 12.205 4.076 0.000) 12.867 15.595 ( -7.633 19.683 0.000) 21.111 15.817 ( -4.471 9.265 0.000) 10.287 16.559 ( 8.106 4.377 0.000) 9.212 16.874 ( -5.301 -0.508 0.000) 5.325 16.936 ( 7.125 4.241 0.000) 8.291 17.155 ( -2.788 1.759 0.000) 3.296 17.312 ( 3.356 2.520 0.000) 4.197 17.830 ( -21.020 -7.428 0.000) 22.294 18.155 ( 6.201 -0.003 0.000) 6.201 18.422 ( -0.577 -1.628 0.000) 1.727 18.454 ( 0.938 -3.991 0.000) 4.099 18.689 ( -5.034 -5.483 0.000) 7.444 21.097 ( -4.985 -3.999 0.000) 6.390 21.113 ( -6.600 -4.677 0.000) 8.089 21.569 ( 12.472 4.048 0.000) 13.112 21.720 ( 1.430 -1.696 0.000) 2.218 22.004 ( -1.492 -0.742 0.000) 1.666 22.191 ( -7.448 -1.538 0.000) 7.605 24.205 ( 17.678 7.773 0.000) 19.312 24.686 ( -5.689 -2.000 0.000) 6.030 ======================= Grid point 22 (15/150) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.652 ( -33.266 10.583 0.000) 34.909 3.652 ( 33.266 10.583 0.000) 34.909 4.367 ( -41.907 20.898 0.000) 46.829 4.367 ( 41.907 20.898 0.000) 46.829 6.235 ( -26.428 3.394 0.000) 26.645 6.235 ( 26.428 3.394 0.000) 26.645 6.724 ( -11.039 -26.484 0.000) 28.693 6.724 ( 11.039 -26.484 0.000) 28.693 7.490 ( -16.028 13.951 0.000) 21.249 7.490 ( 16.028 13.951 0.000) 21.249 7.940 ( -14.613 -3.133 0.000) 14.945 7.940 ( 14.613 -3.133 0.000) 14.945 8.419 ( -9.960 7.755 0.000) 12.623 8.419 ( 9.960 7.755 0.000) 12.623 8.780 ( -3.077 5.039 0.000) 5.904 8.780 ( 3.077 5.039 0.000) 5.904 9.904 ( -0.578 1.967 0.000) 2.050 9.904 ( 0.578 1.967 0.000) 2.050 10.315 ( -9.543 -9.848 0.000) 13.713 10.315 ( 9.543 -9.848 0.000) 13.713 10.501 ( -9.736 -7.032 0.000) 12.010 10.501 ( 9.736 -7.032 0.000) 12.010 11.059 ( -5.266 -0.389 0.000) 5.280 11.059 ( 5.266 -0.389 0.000) 5.280 11.377 ( -4.925 -8.213 0.000) 9.576 11.377 ( 4.925 -8.213 0.000) 9.576 11.797 ( -20.466 -1.307 0.000) 20.508 11.797 ( 20.466 -1.307 0.000) 20.508 11.879 ( -5.835 -2.694 0.000) 6.427 11.879 ( 5.835 -2.694 0.000) 6.427 12.881 ( -0.866 -13.828 0.000) 13.856 12.881 ( 0.866 -13.828 0.000) 13.856 13.263 ( -2.094 -9.225 0.000) 9.459 13.263 ( 2.094 -9.225 0.000) 9.459 13.481 ( -8.050 8.827 0.000) 11.946 13.481 ( 8.050 8.827 0.000) 11.946 14.003 ( -2.409 1.929 0.000) 3.086 14.003 ( 2.409 1.929 0.000) 3.086 15.426 ( -8.889 18.654 0.000) 20.664 15.426 ( 8.889 18.654 0.000) 20.664 15.670 ( -9.749 8.062 0.000) 12.650 15.670 ( 9.749 8.062 0.000) 12.650 16.732 ( -8.523 1.750 0.000) 8.701 16.732 ( 8.523 1.750 0.000) 8.701 17.079 ( -5.672 3.445 0.000) 6.636 17.079 ( 5.672 3.445 0.000) 6.636 17.469 ( -13.547 -3.185 0.000) 13.916 17.469 ( 13.547 -3.185 0.000) 13.916 18.294 ( -7.278 1.400 0.000) 7.411 18.294 ( 7.278 1.400 0.000) 7.411 18.576 ( -6.303 -7.016 0.000) 9.431 18.576 ( 6.303 -7.016 0.000) 9.431 21.045 ( -0.181 -4.112 0.000) 4.116 21.045 ( 0.181 -4.112 0.000) 4.116 21.719 ( -2.604 2.410 0.000) 3.548 21.719 ( 2.604 2.410 0.000) 3.548 22.050 ( -5.841 -2.956 0.000) 6.547 22.050 ( 5.841 -2.956 0.000) 6.547 24.505 ( -12.265 3.340 0.000) 12.711 24.505 ( 12.265 3.340 0.000) 12.711 ======================= Grid point 27 (16/150) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.621 ( 0.000 44.698 0.000) 44.698 3.287 ( 0.000 53.880 0.000) 53.880 4.287 ( 0.000 -39.121 0.000) 39.121 4.324 ( 0.000 56.862 0.000) 56.862 5.326 ( 0.000 -40.617 0.000) 40.617 5.817 ( 0.000 -3.980 0.000) 3.980 6.375 ( 0.000 -14.328 0.000) 14.328 6.464 ( 0.000 -18.799 0.000) 18.799 7.894 ( 0.000 13.229 0.000) 13.229 7.911 ( 0.000 2.099 0.000) 2.099 8.017 ( 0.000 -5.178 0.000) 5.178 8.285 ( 0.000 -5.648 0.000) 5.648 8.637 ( 0.000 2.006 0.000) 2.006 8.749 ( 0.000 -8.199 0.000) 8.199 8.802 ( 0.000 14.698 0.000) 14.698 9.400 ( 0.000 -1.688 0.000) 1.688 9.418 ( 0.000 -14.202 0.000) 14.202 9.563 ( 0.000 -14.725 0.000) 14.725 9.844 ( 0.000 2.648 0.000) 2.648 9.976 ( 0.000 -2.755 0.000) 2.755 10.133 ( 0.000 14.710 0.000) 14.710 10.853 ( 0.000 -18.090 0.000) 18.090 10.969 ( 0.000 14.686 0.000) 14.686 10.995 ( 0.000 5.888 0.000) 5.888 11.146 ( 0.000 4.070 0.000) 4.070 11.224 ( 0.000 -3.636 0.000) 3.636 11.736 ( 0.000 2.009 0.000) 2.009 11.745 ( 0.000 1.879 0.000) 1.879 11.769 ( 0.000 13.615 0.000) 13.615 12.406 ( 0.000 -20.564 0.000) 20.564 12.676 ( 0.000 7.624 0.000) 7.624 13.129 ( 0.000 -11.839 0.000) 11.839 13.401 ( 0.000 4.739 0.000) 4.739 13.592 ( 0.000 -6.840 0.000) 6.840 13.614 ( 0.000 -3.720 0.000) 3.720 13.615 ( 0.000 -5.673 0.000) 5.673 14.043 ( 0.000 11.721 0.000) 11.721 14.472 ( 0.000 -8.512 0.000) 8.512 15.112 ( 0.000 2.954 0.000) 2.954 15.153 ( 0.000 5.071 0.000) 5.071 15.820 ( 0.000 7.826 0.000) 7.826 15.922 ( 0.000 6.893 0.000) 6.893 16.668 ( 0.000 12.113 0.000) 12.113 16.875 ( 0.000 0.566 0.000) 0.566 17.007 ( 0.000 7.054 0.000) 7.054 17.473 ( 0.000 11.889 0.000) 11.889 17.537 ( 0.000 6.684 0.000) 6.684 17.559 ( 0.000 -22.015 0.000) 22.015 18.084 ( 0.000 -3.284 0.000) 3.284 18.395 ( 0.000 -15.003 0.000) 15.003 18.700 ( 0.000 2.524 0.000) 2.524 18.828 ( 0.000 -3.387 0.000) 3.387 21.000 ( 0.000 15.475 0.000) 15.475 21.391 ( 0.000 -8.176 0.000) 8.176 21.392 ( 0.000 -2.282 0.000) 2.282 21.550 ( 0.000 -7.789 0.000) 7.789 22.485 ( 0.000 1.150 0.000) 1.150 22.560 ( 0.000 -2.463 0.000) 2.463 23.549 ( 0.000 19.471 0.000) 19.471 24.204 ( 0.000 -13.571 0.000) 13.571 ======================= Grid point 28 (17/150) ======================= q-point: ( 0.12 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.802 ( 15.483 42.927 0.000) 45.634 3.377 ( 9.648 50.843 0.000) 51.750 4.473 ( 15.504 -39.707 0.000) 42.627 4.511 ( 18.995 45.776 0.000) 49.560 5.371 ( 4.156 -35.991 0.000) 36.230 5.586 ( -16.353 -0.208 0.000) 16.355 6.417 ( 3.980 -12.663 0.000) 13.273 6.642 ( 11.731 -14.688 0.000) 18.798 7.651 ( -21.598 7.362 0.000) 22.819 7.879 ( -0.061 4.175 0.000) 4.176 8.061 ( 3.021 1.306 0.000) 3.291 8.193 ( -6.692 -2.174 0.000) 7.036 8.637 ( -7.282 -9.040 0.000) 11.608 8.768 ( 6.583 -6.684 0.000) 9.382 8.895 ( 5.027 9.398 0.000) 10.658 9.293 ( -3.380 -6.843 0.000) 7.632 9.545 ( 1.930 -0.430 0.000) 1.977 9.582 ( 3.254 -9.302 0.000) 9.855 9.867 ( 2.856 5.676 0.000) 6.354 10.058 ( 7.430 -2.842 0.000) 7.955 10.157 ( 7.187 10.050 0.000) 12.355 10.785 ( -7.220 -11.503 0.000) 13.581 10.873 ( -8.811 9.336 0.000) 12.837 10.973 ( -1.290 6.146 0.000) 6.279 11.181 ( 1.400 0.177 0.000) 1.411 11.237 ( 1.128 -4.118 0.000) 4.270 11.656 ( -4.181 3.321 0.000) 5.339 11.687 ( -5.056 1.076 0.000) 5.169 11.837 ( 3.944 9.952 0.000) 10.705 12.429 ( 2.460 -20.378 0.000) 20.526 12.677 ( -0.496 7.797 0.000) 7.813 13.086 ( -4.158 -10.282 0.000) 11.091 13.300 ( -8.634 -0.194 0.000) 8.636 13.337 ( -12.294 -6.039 0.000) 13.697 13.605 ( -0.750 4.242 0.000) 4.308 13.837 ( 8.237 -7.448 0.000) 11.104 14.093 ( 3.691 7.139 0.000) 8.037 14.382 ( -8.384 -6.085 0.000) 10.359 15.123 ( 2.154 3.010 0.000) 3.701 15.182 ( 2.889 3.921 0.000) 4.870 15.889 ( 6.367 8.495 0.000) 10.616 15.970 ( 3.829 7.784 0.000) 8.675 16.662 ( -0.564 12.568 0.000) 12.581 16.880 ( 0.417 -0.114 0.000) 0.432 16.973 ( -2.554 6.180 0.000) 6.687 17.347 ( -8.629 -5.666 0.000) 10.323 17.482 ( 0.125 12.527 0.000) 12.528 17.758 ( 9.769 -7.899 0.000) 12.563 18.098 ( 1.778 -5.043 0.000) 5.347 18.296 ( -9.507 -13.300 0.000) 16.349 18.672 ( -2.787 2.427 0.000) 3.696 18.801 ( -2.940 -3.735 0.000) 4.754 21.104 ( 9.461 11.832 0.000) 15.149 21.331 ( -5.368 -1.832 0.000) 5.672 21.345 ( -5.657 -6.626 0.000) 8.713 21.542 ( 0.771 -7.091 0.000) 7.133 22.362 ( -10.073 2.815 0.000) 10.459 22.466 ( -7.629 -2.168 0.000) 7.931 23.724 ( 15.130 17.119 0.000) 22.847 24.337 ( 10.821 -13.660 0.000) 17.427 ======================= Grid point 29 (18/150) ======================= q-point: ( 0.25 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.130 ( 16.319 37.734 0.000) 41.111 3.686 ( 21.234 44.373 0.000) 49.192 4.634 ( -7.075 -33.023 0.000) 33.772 5.038 ( 30.551 13.402 0.000) 33.361 5.456 ( 9.866 1.103 0.000) 9.927 5.459 ( 3.478 -14.969 0.000) 15.368 6.511 ( 3.856 -9.103 0.000) 9.886 6.774 ( -0.244 -8.016 0.000) 8.020 7.234 ( -15.110 12.617 0.000) 19.685 7.911 ( 1.820 -1.015 0.000) 2.084 8.043 ( -7.946 -0.001 0.000) 7.946 8.106 ( 1.903 -1.439 0.000) 2.386 8.504 ( -4.934 -7.879 0.000) 9.296 8.796 ( -2.855 -5.987 0.000) 6.633 8.965 ( 2.048 0.626 0.000) 2.141 9.241 ( -6.793 1.544 0.000) 6.966 9.450 ( -2.135 2.983 0.000) 3.668 9.725 ( 10.022 0.991 0.000) 10.071 10.027 ( 10.022 3.203 0.000) 10.521 10.214 ( 5.987 -5.912 0.000) 8.414 10.465 ( 20.684 3.478 0.000) 20.974 10.525 ( -17.983 14.249 0.000) 22.944 10.723 ( -3.007 -10.828 0.000) 11.238 10.951 ( -1.717 2.919 0.000) 3.387 11.155 ( -2.133 -6.096 0.000) 6.458 11.279 ( 3.344 -5.909 0.000) 6.789 11.583 ( -4.482 -0.358 0.000) 4.497 11.589 ( -3.945 -0.905 0.000) 4.048 11.918 ( 4.028 7.866 0.000) 8.837 12.466 ( -2.309 -17.280 0.000) 17.434 12.646 ( -0.939 6.338 0.000) 6.407 12.949 ( -9.840 -5.468 0.000) 11.257 13.125 ( -7.484 -4.867 0.000) 8.927 13.153 ( -5.228 -9.302 0.000) 10.671 13.593 ( -0.050 10.231 0.000) 10.231 13.916 ( 0.574 -4.547 0.000) 4.583 14.142 ( 0.533 2.028 0.000) 2.097 14.169 ( -12.131 -0.679 0.000) 12.150 15.226 ( 7.722 0.385 0.000) 7.731 15.264 ( 5.021 1.536 0.000) 5.251 16.030 ( 1.637 12.418 0.000) 12.525 16.040 ( 7.736 10.815 0.000) 13.297 16.648 ( -0.763 11.880 0.000) 11.905 16.884 ( -0.260 -1.670 0.000) 1.690 16.943 ( 0.317 4.713 0.000) 4.724 17.217 ( -4.398 -3.961 0.000) 5.918 17.454 ( -2.865 10.925 0.000) 11.295 17.917 ( 2.702 -10.182 0.000) 10.535 18.059 ( -9.814 -5.465 0.000) 11.233 18.167 ( 5.070 -7.264 0.000) 8.858 18.590 ( -5.355 2.066 0.000) 5.740 18.712 ( -5.678 -3.856 0.000) 6.863 21.159 ( -6.899 -2.297 0.000) 7.272 21.185 ( -8.952 -4.371 0.000) 9.962 21.381 ( 13.023 6.381 0.000) 14.502 21.599 ( 4.383 -4.475 0.000) 6.264 22.162 ( -9.048 3.713 0.000) 9.780 22.305 ( -8.114 -2.778 0.000) 8.576 24.059 ( 16.936 13.018 0.000) 21.361 24.537 ( 7.732 -10.666 0.000) 13.174 ======================= Grid point 30 (19/150) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.462 ( 17.644 25.354 0.000) 30.889 4.197 ( 29.021 34.936 0.000) 45.417 4.289 ( -22.110 -9.213 0.000) 23.953 5.265 ( -14.250 -7.733 0.000) 16.213 5.740 ( 27.202 7.904 0.000) 28.327 5.833 ( 21.619 -12.857 0.000) 25.153 6.455 ( -9.117 -14.023 0.000) 16.727 6.623 ( -14.100 -7.776 0.000) 16.102 7.283 ( 19.933 16.699 0.000) 26.003 7.876 ( -4.400 4.701 0.000) 6.439 7.904 ( -5.158 1.645 0.000) 5.414 8.131 ( -3.612 -11.999 0.000) 12.531 8.477 ( 3.045 8.912 0.000) 9.418 8.713 ( -4.795 -0.810 0.000) 4.863 8.970 ( -2.209 0.154 0.000) 2.214 9.030 ( -10.146 16.193 0.000) 19.109 9.548 ( 8.522 -15.064 0.000) 17.307 9.869 ( 0.420 -4.597 0.000) 4.616 10.189 ( 5.678 4.134 0.000) 7.023 10.199 ( -5.420 3.056 0.000) 6.223 10.274 ( -1.232 -4.328 0.000) 4.500 10.648 ( -9.982 -3.085 0.000) 10.447 10.823 ( 11.545 -0.603 0.000) 11.561 10.988 ( 8.625 -4.860 0.000) 9.900 11.279 ( 16.567 -4.771 0.000) 17.240 11.319 ( -1.830 -3.478 0.000) 3.930 11.451 ( -8.413 -1.368 0.000) 8.523 11.582 ( 6.800 -4.875 0.000) 8.367 11.954 ( -2.226 3.618 0.000) 4.248 12.238 ( -18.646 -4.279 0.000) 19.130 12.684 ( 2.359 -3.910 0.000) 4.567 12.763 ( -6.756 -4.675 0.000) 8.216 13.033 ( -1.634 -8.196 0.000) 8.358 13.094 ( -2.070 -9.813 0.000) 10.029 13.619 ( 2.995 12.367 0.000) 12.724 13.884 ( -6.463 8.804 0.000) 10.922 13.968 ( -3.382 -3.657 0.000) 4.981 14.107 ( -3.806 -0.252 0.000) 3.815 15.365 ( 4.678 -1.462 0.000) 4.901 15.380 ( 6.146 -4.113 0.000) 7.395 16.050 ( 1.356 19.670 0.000) 19.716 16.147 ( 1.814 17.403 0.000) 17.497 16.653 ( 2.308 5.676 0.000) 6.127 16.852 ( -3.424 -1.940 0.000) 3.936 17.003 ( 5.505 2.812 0.000) 6.182 17.163 ( -1.473 -1.911 0.000) 2.413 17.396 ( -1.989 5.833 0.000) 6.162 17.677 ( -16.048 -7.998 0.000) 17.930 18.138 ( 8.290 -0.727 0.000) 8.322 18.291 ( 7.048 -7.629 0.000) 10.386 18.463 ( -7.207 1.497 0.000) 7.361 18.585 ( -6.915 -4.866 0.000) 8.455 21.028 ( -5.133 -2.720 0.000) 5.809 21.033 ( -5.627 -3.112 0.000) 6.430 21.642 ( 11.698 2.999 0.000) 12.076 21.697 ( 5.073 -0.785 0.000) 5.133 22.014 ( -5.588 1.852 0.000) 5.887 22.143 ( -8.233 -3.259 0.000) 8.855 24.361 ( 12.848 7.911 0.000) 15.088 24.620 ( 0.480 -4.732 0.000) 4.756 ======================= Grid point 31 (20/150) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.848 ( -21.155 8.773 0.000) 22.902 3.848 ( 21.155 8.773 0.000) 22.902 4.794 ( -29.245 20.565 0.000) 35.751 4.794 ( 29.245 20.565 0.000) 35.751 6.190 ( -5.338 -10.518 0.000) 11.795 6.190 ( 5.338 -10.518 0.000) 11.795 6.268 ( -12.544 -15.606 0.000) 20.023 6.268 ( 12.544 -15.606 0.000) 20.023 7.752 ( -15.528 12.258 0.000) 19.783 7.752 ( 15.528 12.258 0.000) 19.783 7.897 ( -9.884 -0.489 0.000) 9.896 7.897 ( 9.884 -0.489 0.000) 9.896 8.598 ( -6.994 7.419 0.000) 10.196 8.598 ( 6.994 7.419 0.000) 10.196 8.920 ( -0.115 10.033 0.000) 10.034 8.920 ( 0.115 10.033 0.000) 10.034 9.736 ( -9.734 -15.187 0.000) 18.039 9.736 ( 9.734 -15.187 0.000) 18.039 10.239 ( -1.291 -3.751 0.000) 3.967 10.239 ( 1.291 -3.751 0.000) 3.967 10.362 ( -12.821 -3.071 0.000) 13.184 10.362 ( 12.821 -3.071 0.000) 13.184 11.056 ( -6.725 0.030 0.000) 6.725 11.056 ( 6.725 0.030 0.000) 6.725 11.258 ( -0.872 -3.596 0.000) 3.700 11.258 ( 0.872 -3.596 0.000) 3.700 11.763 ( -11.964 -1.980 0.000) 12.127 11.763 ( 11.964 -1.980 0.000) 12.127 11.821 ( -1.770 -2.915 0.000) 3.410 11.821 ( 1.770 -2.915 0.000) 3.410 12.703 ( -0.421 -3.745 0.000) 3.768 12.703 ( 0.421 -3.745 0.000) 3.768 13.047 ( -2.288 -10.378 0.000) 10.628 13.047 ( 2.288 -10.378 0.000) 10.628 13.720 ( -7.166 12.365 0.000) 14.291 13.720 ( 7.166 12.365 0.000) 14.291 14.012 ( -4.815 -1.258 0.000) 4.977 14.012 ( 4.815 -1.258 0.000) 4.977 15.430 ( -1.079 -4.908 0.000) 5.025 15.430 ( 1.079 -4.908 0.000) 5.025 16.110 ( -4.075 22.907 0.000) 23.266 16.110 ( 4.075 22.907 0.000) 23.266 16.749 ( -6.205 -0.377 0.000) 6.216 16.749 ( 6.205 -0.377 0.000) 6.216 17.119 ( -4.340 0.260 0.000) 4.348 17.119 ( 4.340 0.260 0.000) 4.348 17.428 ( -7.030 -0.826 0.000) 7.079 17.428 ( 7.030 -0.826 0.000) 7.079 18.305 ( -8.170 -0.038 0.000) 8.170 18.305 ( 8.170 -0.038 0.000) 8.170 18.441 ( -7.392 -6.072 0.000) 9.567 18.441 ( 7.392 -6.072 0.000) 9.567 20.975 ( -0.037 -2.725 0.000) 2.726 20.975 ( 0.037 -2.725 0.000) 2.726 21.772 ( -0.553 2.702 0.000) 2.758 21.772 ( 0.553 2.702 0.000) 2.758 21.993 ( -5.181 -2.675 0.000) 5.831 21.993 ( 5.181 -2.675 0.000) 5.831 24.557 ( -6.647 1.839 0.000) 6.896 24.557 ( 6.647 1.839 0.000) 6.896 ======================= Grid point 36 (21/150) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.481 ( 0.000 -43.001 0.000) 43.001 3.481 ( 0.000 43.001 0.000) 43.001 4.294 ( 0.000 -47.598 0.000) 47.598 4.294 ( 0.000 47.598 0.000) 47.598 5.420 ( 0.000 -35.501 0.000) 35.501 5.420 ( 0.000 35.501 0.000) 35.501 6.249 ( 0.000 -2.220 0.000) 2.220 6.249 ( 0.000 2.220 0.000) 2.220 7.928 ( 0.000 -1.748 0.000) 1.748 7.928 ( 0.000 1.748 0.000) 1.748 8.130 ( 0.000 -10.247 0.000) 10.247 8.130 ( 0.000 10.247 0.000) 10.247 8.690 ( 0.000 -1.847 0.000) 1.847 8.690 ( 0.000 1.847 0.000) 1.847 9.111 ( 0.000 -16.378 0.000) 16.378 9.111 ( 0.000 16.378 0.000) 16.378 9.379 ( 0.000 -2.951 0.000) 2.951 9.379 ( 0.000 2.951 0.000) 2.951 9.911 ( 0.000 -3.689 0.000) 3.689 9.911 ( 0.000 3.689 0.000) 3.689 10.479 ( 0.000 -19.418 0.000) 19.418 10.479 ( 0.000 19.418 0.000) 19.418 11.120 ( 0.000 -6.382 0.000) 6.382 11.120 ( 0.000 6.382 0.000) 6.382 11.153 ( 0.000 -4.148 0.000) 4.148 11.153 ( 0.000 4.148 0.000) 4.148 11.763 ( 0.000 -0.384 0.000) 0.384 11.763 ( 0.000 0.384 0.000) 0.384 12.051 ( 0.000 -15.891 0.000) 15.891 12.051 ( 0.000 15.891 0.000) 15.891 12.877 ( 0.000 -12.518 0.000) 12.518 12.877 ( 0.000 12.518 0.000) 12.518 13.503 ( 0.000 -5.642 0.000) 5.642 13.503 ( 0.000 5.642 0.000) 5.642 13.553 ( 0.000 -1.595 0.000) 1.595 13.553 ( 0.000 1.595 0.000) 1.595 14.273 ( 0.000 -11.410 0.000) 11.410 14.273 ( 0.000 11.410 0.000) 11.410 15.171 ( 0.000 -2.163 0.000) 2.163 15.171 ( 0.000 2.163 0.000) 2.163 15.948 ( 0.000 -3.715 0.000) 3.715 15.948 ( 0.000 3.715 0.000) 3.715 16.846 ( 0.000 -4.805 0.000) 4.805 16.846 ( 0.000 4.805 0.000) 4.805 17.196 ( 0.000 -14.078 0.000) 14.078 17.196 ( 0.000 14.078 0.000) 14.078 17.618 ( 0.000 -0.555 0.000) 0.555 17.618 ( 0.000 0.555 0.000) 0.555 18.129 ( 0.000 -9.664 0.000) 9.664 18.129 ( 0.000 9.664 0.000) 9.664 18.759 ( 0.000 -3.448 0.000) 3.448 18.759 ( 0.000 3.448 0.000) 3.448 21.245 ( 0.000 -8.933 0.000) 8.933 21.245 ( 0.000 8.933 0.000) 8.933 21.408 ( 0.000 -4.870 0.000) 4.870 21.408 ( 0.000 4.870 0.000) 4.870 22.515 ( 0.000 -1.977 0.000) 1.977 22.515 ( 0.000 1.977 0.000) 1.977 23.906 ( 0.000 -16.884 0.000) 16.884 23.906 ( 0.000 16.884 0.000) 16.884 ======================= Grid point 38 (22/150) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.641 ( 13.779 -41.906 0.000) 44.113 3.641 ( 13.779 41.906 0.000) 44.113 4.354 ( 5.953 -44.403 0.000) 44.800 4.354 ( 5.953 44.403 0.000) 44.800 5.405 ( 0.391 -20.171 0.000) 20.175 5.405 ( 0.391 20.171 0.000) 20.175 6.378 ( 11.142 -9.314 0.000) 14.522 6.378 ( 11.142 9.314 0.000) 14.522 7.787 ( -11.142 -7.154 0.000) 13.241 7.787 ( -11.142 7.154 0.000) 13.241 8.144 ( -1.622 -3.480 0.000) 3.840 8.144 ( -1.622 3.480 0.000) 3.840 8.630 ( -2.901 -6.088 0.000) 6.744 8.630 ( -2.901 6.088 0.000) 6.744 9.106 ( -2.133 -10.913 0.000) 11.119 9.106 ( -2.133 10.913 0.000) 11.119 9.505 ( 11.722 -0.988 0.000) 11.763 9.505 ( 11.722 0.988 0.000) 11.763 9.980 ( 5.344 -5.098 0.000) 7.386 9.980 ( 5.344 5.098 0.000) 7.386 10.441 ( -1.713 -17.661 0.000) 17.744 10.441 ( -1.713 17.661 0.000) 17.744 11.064 ( -5.269 -1.641 0.000) 5.518 11.064 ( -5.269 1.641 0.000) 5.518 11.154 ( -1.091 -0.755 0.000) 1.326 11.154 ( -1.091 0.755 0.000) 1.326 11.694 ( -5.595 -0.634 0.000) 5.631 11.694 ( -5.595 0.634 0.000) 5.631 12.079 ( 2.500 -15.165 0.000) 15.369 12.079 ( 2.500 15.165 0.000) 15.369 12.865 ( -1.185 -11.078 0.000) 11.141 12.865 ( -1.185 11.078 0.000) 11.141 13.292 ( -12.318 -0.029 0.000) 12.318 13.292 ( -12.318 0.029 0.000) 12.318 13.706 ( 6.314 -6.023 0.000) 8.726 13.706 ( 6.314 6.023 0.000) 8.726 14.242 ( -2.879 -7.834 0.000) 8.346 14.242 ( -2.879 7.834 0.000) 8.346 15.184 ( 1.659 -2.510 0.000) 3.009 15.184 ( 1.659 2.510 0.000) 3.009 16.015 ( 6.046 -2.973 0.000) 6.738 16.015 ( 6.046 2.973 0.000) 6.738 16.848 ( -0.054 -4.810 0.000) 4.810 16.848 ( -0.054 4.810 0.000) 4.810 17.135 ( -4.497 -11.618 0.000) 12.458 17.135 ( -4.497 11.618 0.000) 12.458 17.683 ( 4.410 -5.296 0.000) 6.892 17.683 ( 4.410 5.296 0.000) 6.892 18.080 ( -4.067 -5.761 0.000) 7.051 18.080 ( -4.067 5.761 0.000) 7.051 18.729 ( -2.974 -3.425 0.000) 4.536 18.729 ( -2.974 3.425 0.000) 4.536 21.256 ( -1.787 -3.565 0.000) 3.988 21.256 ( -1.787 3.565 0.000) 3.988 21.387 ( 1.047 -7.812 0.000) 7.882 21.387 ( 1.047 7.812 0.000) 7.882 22.416 ( -8.382 -2.756 0.000) 8.823 22.416 ( -8.382 2.756 0.000) 8.823 24.048 ( 12.311 -15.832 0.000) 20.055 24.048 ( 12.311 15.832 0.000) 20.055 ======================= Grid point 40 (23/150) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.891 ( 8.243 -39.281 0.000) 40.137 3.891 ( 8.243 39.281 0.000) 40.137 4.542 ( 13.418 -40.731 0.000) 42.884 4.542 ( 13.418 40.731 0.000) 42.884 5.503 ( 9.788 -0.005 0.000) 9.788 5.503 ( 9.788 0.005 0.000) 9.788 6.578 ( 4.662 -11.712 0.000) 12.606 6.578 ( 4.662 11.712 0.000) 12.606 7.598 ( -3.743 -23.082 0.000) 23.384 7.598 ( -3.743 23.082 0.000) 23.384 8.045 ( -6.872 -1.119 0.000) 6.963 8.045 ( -6.872 1.119 0.000) 6.963 8.624 ( 1.444 -11.229 0.000) 11.322 8.624 ( 1.444 11.229 0.000) 11.322 9.058 ( -1.482 -9.650 0.000) 9.763 9.058 ( -1.482 9.650 0.000) 9.763 9.681 ( 0.990 -9.111 0.000) 9.165 9.681 ( 0.990 9.111 0.000) 9.165 10.082 ( 6.923 -4.479 0.000) 8.246 10.082 ( 6.923 4.479 0.000) 8.246 10.541 ( 12.723 -5.277 0.000) 13.774 10.541 ( 12.723 5.277 0.000) 13.774 10.847 ( -16.726 -13.443 0.000) 21.459 10.847 ( -16.726 13.443 0.000) 21.459 11.158 ( 2.684 -5.695 0.000) 6.296 11.158 ( 2.684 5.695 0.000) 6.296 11.576 ( -6.022 -0.065 0.000) 6.022 11.576 ( -6.022 0.065 0.000) 6.022 12.136 ( 2.173 -14.552 0.000) 14.713 12.136 ( 2.173 14.552 0.000) 14.713 12.812 ( -5.026 -8.598 0.000) 9.960 12.812 ( -5.026 8.598 0.000) 9.960 13.068 ( -8.623 -0.228 0.000) 8.626 13.068 ( -8.623 0.228 0.000) 8.626 13.784 ( 2.260 -8.723 0.000) 9.011 13.784 ( 2.260 8.723 0.000) 9.011 14.164 ( -5.007 -0.369 0.000) 5.021 14.164 ( -5.007 0.369 0.000) 5.021 15.248 ( 4.510 -1.745 0.000) 4.836 15.248 ( 4.510 1.745 0.000) 4.836 16.155 ( 7.298 -0.011 0.000) 7.298 16.155 ( 7.298 0.011 0.000) 7.298 16.834 ( -1.540 -5.110 0.000) 5.337 16.834 ( -1.540 5.110 0.000) 5.337 17.069 ( -1.497 -9.021 0.000) 9.144 17.069 ( -1.497 9.021 0.000) 9.144 17.690 ( -5.374 -12.578 0.000) 13.678 17.690 ( -5.374 12.578 0.000) 13.678 18.048 ( 2.850 -3.838 0.000) 4.780 18.048 ( 2.850 3.838 0.000) 4.780 18.641 ( -5.768 -3.210 0.000) 6.601 18.641 ( -5.768 3.210 0.000) 6.601 21.137 ( -7.781 -0.471 0.000) 7.796 21.137 ( -7.781 0.471 0.000) 7.796 21.502 ( 8.488 -5.615 0.000) 10.177 21.502 ( 8.488 5.615 0.000) 10.177 22.238 ( -8.836 -3.887 0.000) 9.653 22.238 ( -8.836 3.887 0.000) 9.653 24.310 ( 12.388 -12.411 0.000) 17.536 24.310 ( 12.388 12.411 0.000) 17.536 ======================= Grid point 42 (24/150) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.955 ( -0.116 -23.297 0.000) 23.298 3.955 ( -0.116 23.297 0.000) 23.298 4.854 ( 15.405 -30.322 0.000) 34.011 4.854 ( 15.405 30.322 0.000) 34.011 5.753 ( 14.181 -2.726 0.000) 14.441 5.753 ( 14.181 2.726 0.000) 14.441 6.442 ( -16.316 -9.076 0.000) 18.670 6.442 ( -16.316 9.076 0.000) 18.670 7.735 ( 14.120 -24.418 0.000) 28.207 7.735 ( 14.120 24.418 0.000) 28.207 7.922 ( -4.618 -0.761 0.000) 4.681 7.922 ( -4.618 0.761 0.000) 4.681 8.649 ( 0.645 -5.847 0.000) 5.882 8.649 ( 0.645 5.847 0.000) 5.882 9.065 ( 1.836 -10.671 0.000) 10.827 9.065 ( 1.836 10.671 0.000) 10.827 9.585 ( -6.325 -17.910 0.000) 18.994 9.585 ( -6.325 17.910 0.000) 18.994 10.231 ( 3.918 -0.105 0.000) 3.920 10.231 ( 3.918 0.105 0.000) 3.920 10.463 ( -16.812 -14.861 0.000) 22.439 10.463 ( -16.812 14.861 0.000) 22.439 10.862 ( 15.355 -4.961 0.000) 16.136 10.862 ( 15.355 4.961 0.000) 16.136 11.261 ( 4.402 -2.069 0.000) 4.864 11.261 ( 4.402 2.069 0.000) 4.864 11.491 ( 1.763 -3.966 0.000) 4.340 11.491 ( 1.763 3.966 0.000) 4.340 12.080 ( -9.898 -8.921 0.000) 13.325 12.080 ( -9.898 8.921 0.000) 13.325 12.705 ( -3.031 -2.554 0.000) 3.964 12.705 ( -3.031 2.554 0.000) 3.964 12.961 ( -3.288 -2.107 0.000) 3.905 12.961 ( -3.288 2.107 0.000) 3.905 13.830 ( 2.892 -8.752 0.000) 9.217 13.830 ( 2.892 8.752 0.000) 9.217 14.051 ( -5.860 -5.670 0.000) 8.154 14.051 ( -5.860 5.670 0.000) 8.154 15.336 ( 3.590 -0.036 0.000) 3.590 15.336 ( 3.590 0.036 0.000) 3.590 16.292 ( 6.267 -3.688 0.000) 7.272 16.292 ( 6.267 3.688 0.000) 7.272 16.782 ( -3.620 -5.881 0.000) 6.906 16.782 ( -3.620 5.881 0.000) 6.906 17.078 ( 1.994 -5.366 0.000) 5.724 17.078 ( 1.994 5.366 0.000) 5.724 17.526 ( -8.627 -7.316 0.000) 11.312 17.526 ( -8.627 7.316 0.000) 11.312 18.168 ( 7.759 -4.234 0.000) 8.839 18.168 ( 7.759 4.234 0.000) 8.839 18.506 ( -7.560 -3.090 0.000) 8.167 18.506 ( -7.560 3.090 0.000) 8.167 21.001 ( -5.180 -0.062 0.000) 5.181 21.001 ( -5.180 0.062 0.000) 5.181 21.681 ( 8.864 -1.148 0.000) 8.938 21.681 ( 8.864 1.148 0.000) 8.938 22.072 ( -7.776 -3.719 0.000) 8.620 22.072 ( -7.776 3.719 0.000) 8.620 24.506 ( 6.879 -6.770 0.000) 9.652 24.506 ( 6.879 6.770 0.000) 9.652 ======================= Grid point 44 (25/150) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.946 ( 0.000 -0.000 0.000) 0.000 3.946 ( 0.000 0.000 0.000) 0.000 5.033 ( -0.000 -0.000 0.000) 0.000 5.033 ( 0.000 0.000 0.000) 0.000 6.038 ( -0.000 0.000 0.000) 0.000 6.038 ( 0.000 0.000 0.000) 0.000 6.105 ( 0.000 0.000 0.000) 0.000 6.105 ( 0.000 -0.000 0.000) 0.000 7.868 ( 0.000 0.000 0.000) 0.000 7.868 ( 0.000 0.000 0.000) 0.000 7.930 ( -0.000 -0.000 0.000) 0.000 7.930 ( -0.000 0.000 0.000) 0.000 8.653 ( 0.000 0.000 0.000) 0.000 8.653 ( 0.000 0.000 0.000) 0.000 9.091 ( 0.000 -0.000 0.000) 0.000 9.091 ( 0.000 0.000 0.000) 0.000 9.520 ( -0.000 -0.000 0.000) 0.000 9.520 ( -0.000 -0.000 0.000) 0.000 10.156 ( 0.000 0.000 0.000) 0.000 10.156 ( 0.000 0.000 0.000) 0.000 10.367 ( -0.000 -0.000 0.000) 0.000 10.367 ( 0.000 -0.000 0.000) 0.000 11.057 ( -0.000 0.000 0.000) 0.000 11.057 ( -0.000 0.000 0.000) 0.000 11.227 ( 0.000 0.000 0.000) 0.000 11.227 ( 0.000 0.000 0.000) 0.000 11.740 ( -0.000 0.000 0.000) 0.000 11.740 ( 0.000 0.000 0.000) 0.000 11.786 ( -0.000 0.000 0.000) 0.000 11.786 ( 0.000 0.000 0.000) 0.000 12.691 ( 0.000 0.000 0.000) 0.000 12.691 ( 0.000 0.000 0.000) 0.000 12.924 ( 0.000 -0.000 0.000) 0.000 12.924 ( 0.000 -0.000 0.000) 0.000 13.884 ( 0.000 0.000 0.000) 0.000 13.884 ( 0.000 0.000 0.000) 0.000 13.966 ( -0.000 -0.000 0.000) 0.000 13.966 ( 0.000 -0.000 0.000) 0.000 15.373 ( 0.000 0.000 0.000) 0.000 15.373 ( 0.000 0.000 0.000) 0.000 16.370 ( -0.000 -0.000 0.000) 0.000 16.370 ( -0.000 0.000 0.000) 0.000 16.728 ( 0.000 0.000 0.000) 0.000 16.728 ( 0.000 0.000 0.000) 0.000 17.111 ( 0.000 -0.000 0.000) 0.000 17.111 ( 0.000 0.000 0.000) 0.000 17.425 ( 0.000 0.000 0.000) 0.000 17.425 ( 0.000 0.000 0.000) 0.000 18.304 ( 0.000 -0.000 0.000) 0.000 18.304 ( 0.000 0.000 0.000) 0.000 18.373 ( -0.000 -0.000 0.000) 0.000 18.373 ( -0.000 0.000 0.000) 0.000 20.947 ( 0.000 0.000 0.000) 0.000 20.947 ( 0.000 0.000 0.000) 0.000 21.805 ( -0.000 -0.000 0.000) 0.000 21.805 ( 0.000 0.000 0.000) 0.000 21.961 ( -0.000 0.000 0.000) 0.000 21.961 ( 0.000 0.000 0.000) 0.000 24.575 ( 0.000 0.000 0.000) 0.000 24.575 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 81 (26/150) ======================= q-point: ( 0.00 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( 0.000 0.000 43.556) 43.556 1.109 ( 0.000 0.000 55.659) 55.659 1.605 ( 0.000 0.000 80.331) 80.331 5.273 ( 0.000 0.000 -0.409) 0.409 5.812 ( 0.000 0.000 1.784) 1.784 6.726 ( 0.000 0.000 -7.740) 7.740 6.994 ( 0.000 0.000 -2.789) 2.789 7.014 ( 0.000 0.000 -11.597) 11.597 7.392 ( 0.000 0.000 2.494) 2.494 7.676 ( 0.000 0.000 10.868) 10.868 7.873 ( 0.000 0.000 -3.803) 3.803 8.056 ( 0.000 0.000 -23.226) 23.226 8.505 ( 0.000 0.000 11.230) 11.230 8.614 ( 0.000 0.000 -18.420) 18.420 9.025 ( 0.000 0.000 -25.963) 25.963 9.118 ( 0.000 0.000 -19.597) 19.597 9.470 ( 0.000 0.000 19.609) 19.609 9.805 ( 0.000 0.000 -3.209) 3.209 9.845 ( 0.000 0.000 -13.416) 13.416 9.906 ( 0.000 0.000 16.633) 16.633 10.103 ( 0.000 0.000 17.380) 17.380 10.351 ( 0.000 0.000 -1.828) 1.828 10.968 ( 0.000 0.000 3.925) 3.925 11.184 ( 0.000 0.000 -22.477) 22.477 11.213 ( 0.000 0.000 10.996) 10.996 11.245 ( 0.000 0.000 -0.495) 0.495 11.247 ( 0.000 0.000 26.695) 26.695 12.068 ( 0.000 0.000 16.444) 16.444 12.119 ( 0.000 0.000 -5.127) 5.127 13.093 ( 0.000 0.000 -1.241) 1.241 13.247 ( 0.000 0.000 -2.048) 2.048 13.571 ( 0.000 0.000 -2.040) 2.040 13.601 ( 0.000 0.000 -2.361) 2.361 13.659 ( 0.000 0.000 16.890) 16.890 13.797 ( 0.000 0.000 -2.236) 2.236 13.805 ( 0.000 0.000 3.504) 3.504 13.961 ( 0.000 0.000 4.001) 4.001 14.151 ( 0.000 0.000 0.758) 0.758 14.614 ( 0.000 0.000 -3.973) 3.973 14.655 ( 0.000 0.000 1.580) 1.580 15.064 ( 0.000 0.000 3.893) 3.893 15.105 ( 0.000 0.000 -0.249) 0.249 15.972 ( 0.000 0.000 4.137) 4.137 16.110 ( 0.000 0.000 2.666) 2.666 17.147 ( 0.000 0.000 2.559) 2.559 17.191 ( 0.000 0.000 -7.354) 7.354 17.445 ( 0.000 0.000 -3.788) 3.788 18.070 ( 0.000 0.000 -18.281) 18.281 18.553 ( 0.000 0.000 -6.572) 6.572 18.743 ( 0.000 0.000 -12.741) 12.741 19.007 ( 0.000 0.000 8.491) 8.491 19.375 ( 0.000 0.000 -4.549) 4.549 20.182 ( 0.000 0.000 1.474) 1.474 21.463 ( 0.000 0.000 -6.481) 6.481 21.895 ( 0.000 0.000 -3.590) 3.590 22.001 ( 0.000 0.000 14.712) 14.712 22.332 ( 0.000 0.000 -0.759) 0.759 22.422 ( 0.000 0.000 -3.987) 3.987 22.671 ( 0.000 0.000 1.022) 1.022 24.862 ( 0.000 0.000 -5.045) 5.045 ======================= Grid point 82 (27/150) ======================= q-point: ( 0.12 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 32.774 0.000 33.749) 47.044 1.377 ( 24.410 0.000 42.454) 48.972 2.266 ( 60.006 0.000 52.347) 79.630 5.085 ( -16.155 0.000 0.346) 16.159 6.032 ( 18.922 0.000 1.231) 18.962 6.609 ( -32.517 0.000 -13.286) 35.127 6.744 ( 1.843 0.000 -7.680) 7.898 7.180 ( 13.841 0.000 0.543) 13.851 7.378 ( -1.532 0.000 1.770) 2.340 7.644 ( -2.191 0.000 10.907) 11.125 7.924 ( 3.899 0.000 -4.212) 5.740 8.113 ( 3.133 0.000 -20.002) 20.246 8.501 ( -2.240 0.000 8.613) 8.900 8.606 ( -20.905 0.000 -17.907) 27.526 8.779 ( 10.286 0.000 -23.878) 25.999 9.414 ( 4.907 0.000 -2.719) 5.610 9.466 ( 1.869 0.000 19.155) 19.246 9.741 ( -3.488 0.000 2.285) 4.170 9.827 ( -0.153 0.000 -0.112) 0.190 9.941 ( 10.055 0.000 -14.483) 17.631 10.304 ( -4.875 0.000 3.452) 5.974 10.330 ( 16.244 0.000 9.818) 18.980 10.918 ( -2.571 0.000 9.343) 9.690 11.120 ( -2.170 0.000 -23.808) 23.907 11.220 ( 0.718 0.000 -0.768) 1.051 11.373 ( 11.698 0.000 11.649) 16.509 11.417 ( 12.483 0.000 16.299) 20.530 11.774 ( -18.778 0.000 10.609) 21.568 12.027 ( -4.738 0.000 15.784) 16.479 12.585 ( -13.953 0.000 10.167) 17.264 13.172 ( -6.823 0.000 -3.817) 7.818 13.508 ( -7.373 0.000 13.138) 15.065 13.588 ( 1.224 0.000 0.498) 1.321 13.694 ( 6.025 0.000 0.371) 6.036 13.815 ( 1.276 0.000 1.385) 1.884 13.960 ( -0.399 0.000 4.966) 4.982 14.148 ( 0.643 0.000 -0.678) 0.934 14.459 ( -13.376 0.000 -1.840) 13.502 14.583 ( 5.692 0.000 -17.830) 18.717 14.654 ( -1.685 0.000 2.051) 2.655 15.176 ( 13.610 0.000 -3.141) 13.967 15.455 ( 29.404 0.000 -20.769) 35.999 16.037 ( 6.279 0.000 2.756) 6.857 16.146 ( 4.385 0.000 -2.002) 4.820 17.103 ( -6.508 0.000 -6.471) 9.178 17.150 ( 0.207 0.000 1.239) 1.256 17.564 ( 9.424 0.000 -4.718) 10.539 17.919 ( -17.941 0.000 -1.053) 17.972 18.428 ( -15.046 0.000 16.487) 22.321 18.525 ( -2.743 0.000 -6.566) 7.116 18.740 ( -0.382 0.000 -12.783) 12.789 19.349 ( -24.500 0.000 -2.323) 24.610 20.481 ( 26.601 0.000 -6.245) 27.324 21.431 ( -2.817 0.000 -4.525) 5.330 21.911 ( 1.532 0.000 -3.494) 3.815 21.967 ( -3.857 0.000 15.016) 15.504 22.110 ( -21.452 0.000 7.213) 22.632 22.313 ( -1.898 0.000 -0.873) 2.090 22.974 ( 24.642 0.000 -4.260) 25.008 24.882 ( -0.944 0.000 -9.149) 9.197 ======================= Grid point 83 (28/150) ======================= q-point: ( 0.25 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( 34.378 0.000 25.155) 42.598 2.075 ( 41.072 0.000 20.144) 45.746 3.628 ( 71.129 0.000 31.427) 77.763 4.676 ( -24.605 0.000 1.394) 24.645 5.842 ( -42.156 0.000 -10.662) 43.484 6.484 ( 24.970 0.000 0.793) 24.983 6.804 ( 4.388 0.000 -7.528) 8.713 7.330 ( -3.280 0.000 1.733) 3.710 7.446 ( 7.557 0.000 6.271) 9.820 7.613 ( -0.846 0.000 11.008) 11.040 7.981 ( 0.467 0.000 -6.915) 6.931 8.153 ( -18.751 0.000 -17.612) 25.725 8.172 ( 3.532 0.000 -18.883) 19.210 8.535 ( 1.148 0.000 14.081) 14.128 8.781 ( -8.592 0.000 -13.386) 15.906 9.186 ( -18.203 0.000 21.585) 28.235 9.620 ( 9.247 0.000 2.371) 9.546 9.830 ( 1.575 0.000 2.588) 3.030 9.942 ( 15.537 0.000 -14.874) 21.510 10.159 ( 2.071 0.000 -4.827) 5.252 10.250 ( 12.051 0.000 7.342) 14.111 10.645 ( 12.067 0.000 -0.206) 12.068 10.904 ( 0.513 0.000 -6.835) 6.855 11.105 ( -0.403 0.000 -19.702) 19.706 11.283 ( 7.766 0.000 -2.201) 8.072 11.493 ( -6.763 0.000 10.441) 12.440 11.644 ( 14.147 0.000 11.954) 18.521 11.716 ( 12.106 0.000 9.521) 15.401 11.909 ( -5.824 0.000 9.625) 11.250 12.361 ( -10.883 0.000 6.136) 12.493 13.009 ( -8.678 0.000 -6.236) 10.686 13.341 ( -7.666 0.000 12.616) 14.763 13.603 ( -0.617 0.000 1.596) 1.711 13.831 ( 7.203 0.000 -0.247) 7.208 13.838 ( -1.410 0.000 -2.459) 2.835 13.920 ( -4.709 0.000 4.182) 6.298 14.113 ( -5.133 0.000 -0.034) 5.133 14.162 ( -11.295 0.000 6.511) 13.037 14.494 ( -8.199 0.000 -5.024) 9.615 14.585 ( -5.114 0.000 4.686) 6.936 15.415 ( 10.950 0.000 -0.736) 10.975 15.835 ( 7.688 0.000 -2.424) 8.061 16.207 ( 10.232 0.000 -0.087) 10.233 16.321 ( 12.668 0.000 -17.205) 21.366 16.967 ( -7.074 0.000 -5.846) 9.177 17.152 ( -0.139 0.000 -2.368) 2.372 17.558 ( -13.892 0.000 14.279) 19.922 17.768 ( 10.548 0.000 -5.376) 11.839 18.376 ( 3.532 0.000 -5.353) 6.414 18.446 ( -5.216 0.000 -6.530) 8.357 18.703 ( -12.077 0.000 -8.109) 14.547 18.773 ( -20.909 0.000 -0.868) 20.927 20.958 ( 19.555 0.000 -6.932) 20.748 21.354 ( -4.811 0.000 -0.000) 4.811 21.714 ( -14.162 0.000 14.390) 20.189 21.909 ( -4.423 0.000 6.405) 7.784 21.955 ( 2.831 0.000 -3.212) 4.281 22.259 ( -3.338 0.000 -1.197) 3.546 23.485 ( 25.212 0.000 -5.947) 25.903 24.803 ( -6.725 0.000 -8.556) 10.883 ======================= Grid point 84 (29/150) ======================= q-point: ( 0.38 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.701 ( 37.179 0.000 14.068) 39.751 2.955 ( 46.524 0.000 8.070) 47.218 4.114 ( -31.565 0.000 3.417) 31.749 4.715 ( -9.236 0.000 4.253) 10.168 5.255 ( 29.651 0.000 13.435) 32.552 6.887 ( 8.872 0.000 -4.294) 9.856 6.992 ( 17.449 0.000 -5.581) 18.319 7.238 ( -30.344 0.000 14.944) 33.824 7.260 ( -1.498 0.000 5.899) 6.086 7.602 ( -1.276 0.000 12.753) 12.816 7.818 ( -10.000 0.000 -17.624) 20.263 7.966 ( -6.061 0.000 -10.504) 12.127 8.299 ( 9.112 0.000 -18.761) 20.856 8.569 ( 2.372 0.000 16.832) 16.998 8.617 ( -6.370 0.000 -12.681) 14.191 8.845 ( -14.354 0.000 22.051) 26.312 9.706 ( 2.092 0.000 4.095) 4.599 9.831 ( -2.724 0.000 7.700) 8.167 10.255 ( 15.347 0.000 -9.865) 18.244 10.286 ( 12.857 0.000 -7.764) 15.020 10.593 ( 14.106 0.000 3.869) 14.627 10.713 ( -4.469 0.000 -4.409) 6.278 10.893 ( -1.403 0.000 -20.302) 20.350 11.076 ( -1.276 0.000 -10.341) 10.419 11.480 ( 4.913 0.000 5.475) 7.356 11.572 ( 18.803 0.000 -3.541) 19.133 11.731 ( -5.704 0.000 8.836) 10.517 11.885 ( 8.260 0.000 8.009) 11.506 11.940 ( 2.437 0.000 -0.051) 2.438 12.130 ( -11.595 0.000 8.590) 14.430 12.874 ( -2.916 0.000 -7.530) 8.075 13.300 ( 5.841 0.000 11.252) 12.678 13.398 ( -21.340 0.000 -8.609) 23.011 13.747 ( 0.280 0.000 7.937) 7.942 13.861 ( -2.619 0.000 6.567) 7.071 13.903 ( -12.591 0.000 4.250) 13.289 13.992 ( 5.653 0.000 -2.784) 6.301 14.143 ( 5.579 0.000 8.694) 10.330 14.320 ( -8.871 0.000 -3.107) 9.399 14.455 ( -7.694 0.000 6.625) 10.153 15.618 ( 9.415 0.000 1.208) 9.493 15.874 ( -2.072 0.000 6.012) 6.359 16.424 ( 11.115 0.000 -2.565) 11.407 16.597 ( 14.349 0.000 -14.474) 20.381 16.816 ( -8.221 0.000 -5.198) 9.727 17.093 ( -7.599 0.000 -5.731) 9.518 17.443 ( 3.945 0.000 11.794) 12.436 17.974 ( 9.938 0.000 -5.835) 11.524 18.146 ( -27.479 0.000 6.442) 28.224 18.321 ( -7.232 0.000 -6.416) 9.668 18.481 ( 6.133 0.000 -11.186) 12.757 18.687 ( -3.303 0.000 -13.310) 13.713 21.209 ( 4.382 0.000 -0.188) 4.386 21.259 ( -3.926 0.000 4.944) 6.313 21.574 ( 1.480 0.000 7.978) 8.114 21.815 ( -5.297 0.000 2.971) 6.073 22.021 ( 3.744 0.000 -2.772) 4.658 22.184 ( -4.094 0.000 -1.677) 4.425 23.954 ( 21.533 0.000 -6.292) 22.433 24.619 ( -11.704 0.000 -7.543) 13.924 ======================= Grid point 85 (30/150) ======================= q-point: (-0.50 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.436 ( -36.001 0.000 7.348) 36.744 3.436 ( 36.001 0.000 7.348) 36.744 3.901 ( -47.654 0.000 -0.165) 47.654 3.901 ( 47.654 0.000 -0.165) 47.654 6.354 ( -54.880 0.000 19.716) 58.314 6.354 ( 54.880 0.000 19.716) 58.314 7.038 ( -6.855 0.000 -5.835) 9.002 7.038 ( 6.855 0.000 -5.835) 9.002 7.461 ( -13.227 0.000 9.290) 16.163 7.461 ( 13.227 0.000 9.290) 16.163 7.804 ( -7.367 0.000 -13.145) 15.069 7.804 ( 7.367 0.000 -13.145) 15.069 8.481 ( -8.169 0.000 -16.458) 18.374 8.481 ( 8.169 0.000 -16.458) 18.374 8.646 ( -6.040 0.000 19.716) 20.621 8.646 ( 6.040 0.000 19.716) 20.621 9.764 ( -3.547 0.000 8.319) 9.044 9.764 ( 3.547 0.000 8.319) 9.044 10.535 ( -12.241 0.000 -6.438) 13.831 10.535 ( 12.241 0.000 -6.438) 13.831 10.558 ( -12.346 0.000 -10.518) 16.218 10.558 ( 12.346 0.000 -10.518) 16.218 11.009 ( -7.747 0.000 -6.719) 10.255 11.009 ( 7.747 0.000 -6.719) 10.255 11.616 ( -7.192 0.000 -1.018) 7.263 11.616 ( 7.192 0.000 -1.018) 7.263 11.885 ( -9.375 0.000 0.026) 9.375 11.885 ( 9.375 0.000 0.026) 9.375 11.957 ( -4.331 0.000 8.732) 9.747 11.957 ( 4.331 0.000 8.732) 9.747 12.989 ( -15.391 0.000 -7.242) 17.009 12.989 ( 15.391 0.000 -7.242) 17.009 13.563 ( -17.983 0.000 7.067) 19.322 13.563 ( 17.983 0.000 7.067) 19.322 13.797 ( -3.419 0.000 8.433) 9.100 13.797 ( 3.419 0.000 8.433) 9.100 14.147 ( -8.409 0.000 -2.403) 8.746 14.147 ( 8.409 0.000 -2.403) 8.746 14.291 ( -8.390 0.000 7.499) 11.253 14.291 ( 8.390 0.000 7.499) 11.253 15.782 ( -6.731 0.000 4.005) 7.833 15.782 ( 6.731 0.000 4.005) 7.833 16.636 ( -9.944 0.000 -4.196) 10.793 16.636 ( 9.944 0.000 -4.196) 10.793 16.875 ( -13.112 0.000 -8.575) 15.667 16.875 ( 13.112 0.000 -8.575) 15.667 17.680 ( -18.532 0.000 8.494) 20.386 17.680 ( 18.532 0.000 8.494) 20.386 18.161 ( -8.775 0.000 -6.186) 10.736 18.161 ( 8.775 0.000 -6.186) 10.736 18.599 ( -5.408 0.000 -13.156) 14.225 18.599 ( 5.408 0.000 -13.156) 14.225 21.220 ( -0.025 0.000 6.502) 6.502 21.220 ( 0.025 0.000 6.502) 6.502 21.691 ( -7.134 0.000 1.716) 7.337 21.691 ( 7.134 0.000 1.716) 7.337 22.101 ( -4.192 0.000 -2.233) 4.749 22.101 ( 4.192 0.000 -2.233) 4.749 24.336 ( -16.730 0.000 -6.780) 18.051 24.336 ( 16.730 0.000 -6.780) 18.051 ======================= Grid point 90 (31/150) ======================= q-point: ( 0.00 0.12 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( 0.000 30.318 29.634) 42.395 1.218 ( 0.000 29.641 31.779) 43.457 2.422 ( 0.000 59.179 61.037) 85.016 5.376 ( 0.000 9.265 -2.525) 9.603 5.570 ( 0.000 -22.538 1.525) 22.590 6.630 ( 0.000 -18.292 -10.722) 21.203 7.019 ( 0.000 -1.887 -3.233) 3.744 7.238 ( 0.000 -15.167 4.407) 15.794 7.247 ( 0.000 15.994 -22.000) 27.199 7.666 ( 0.000 -0.699 7.318) 7.351 8.013 ( 0.000 -0.938 -22.377) 22.397 8.140 ( 0.000 8.955 5.734) 10.634 8.444 ( 0.000 -0.141 -21.229) 21.230 8.875 ( 0.000 -7.630 0.881) 7.681 8.890 ( 0.000 19.674 -17.235) 26.156 9.099 ( 0.000 -3.258 -18.991) 19.269 9.603 ( 0.000 3.423 -1.357) 3.682 9.795 ( 0.000 0.428 0.126) 0.446 9.854 ( 0.000 3.607 -16.850) 17.232 9.873 ( 0.000 -3.226 15.420) 15.754 10.249 ( 0.000 11.900 14.358) 18.649 10.337 ( 0.000 -2.067 4.023) 4.523 10.909 ( 0.000 -6.636 5.412) 8.563 11.131 ( 0.000 0.752 -19.476) 19.490 11.142 ( 0.000 -0.979 12.888) 12.925 11.284 ( 0.000 0.926 -4.487) 4.581 11.445 ( 0.000 13.465 22.525) 26.243 11.779 ( 0.000 -22.978 7.604) 24.203 12.064 ( 0.000 -0.803 17.681) 17.699 12.697 ( 0.000 -9.481 13.439) 16.447 13.243 ( 0.000 -1.956 -3.175) 3.729 13.434 ( 0.000 -20.360 6.835) 21.477 13.533 ( 0.000 -3.754 7.571) 8.451 13.638 ( 0.000 1.033 5.168) 5.270 13.647 ( 0.000 3.643 -3.136) 4.807 13.793 ( 0.000 -1.295 -0.026) 1.296 14.299 ( 0.000 -21.636 5.045) 22.216 14.524 ( 0.000 23.738 -0.849) 23.754 14.603 ( 0.000 -1.160 -3.978) 4.144 15.006 ( 0.000 42.088 -34.387) 54.350 15.100 ( 0.000 -0.184 0.527) 0.558 15.451 ( 0.000 22.885 -4.128) 23.254 16.069 ( 0.000 13.183 0.635) 13.199 16.241 ( 0.000 11.884 -0.609) 11.900 17.095 ( 0.000 -1.848 -5.735) 6.025 17.271 ( 0.000 -13.797 3.114) 14.144 17.294 ( 0.000 7.242 -0.522) 7.261 18.043 ( 0.000 -2.597 -17.851) 18.039 18.526 ( 0.000 -4.370 -5.771) 7.239 18.680 ( 0.000 -9.133 -7.942) 12.103 18.950 ( 0.000 -5.869 8.524) 10.350 18.979 ( 0.000 -20.576 9.910) 22.839 20.299 ( 0.000 13.057 -1.420) 13.134 21.447 ( 0.000 -1.423 -5.618) 5.795 21.860 ( 0.000 -5.873 0.897) 5.941 21.944 ( 0.000 -9.109 9.336) 13.044 22.425 ( 0.000 0.271 -3.791) 3.800 22.606 ( 0.000 23.790 -6.377) 24.630 22.655 ( 0.000 -1.590 0.834) 1.796 24.650 ( 0.000 -13.602 1.034) 13.642 ======================= Grid point 91 (32/150) ======================= q-point: ( 0.12 0.12 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 25.435 22.127 26.744) 43.033 1.690 ( 33.860 26.971 24.290) 49.638 2.817 ( 40.492 47.382 47.930) 78.625 5.187 ( -16.138 9.235 -1.249) 18.635 5.775 ( 17.038 -23.776 -0.157) 29.251 6.492 ( -15.929 -10.340 -6.390) 20.037 6.981 ( -10.117 8.975 -17.771) 22.332 7.193 ( 6.339 -0.835 -1.840) 6.653 7.256 ( 0.858 -13.321 2.302) 13.546 7.631 ( -2.744 -0.261 7.693) 8.172 7.998 ( -2.115 1.168 -15.223) 15.413 8.114 ( -0.577 7.866 3.377) 8.580 8.396 ( -5.729 -7.808 -17.113) 19.663 8.679 ( -8.585 13.923 -9.584) 18.958 8.970 ( 0.962 8.411 -18.335) 20.195 9.254 ( 10.329 -7.479 9.306) 15.787 9.614 ( 2.156 -8.459 -7.178) 11.301 9.713 ( -6.960 11.356 9.916) 16.605 9.847 ( 3.068 2.347 -0.902) 3.967 9.971 ( 8.086 1.795 -10.585) 13.441 10.286 ( -4.659 -2.936 9.759) 11.205 10.354 ( 8.622 2.732 9.440) 13.074 10.875 ( -0.497 -2.583 4.491) 5.205 11.126 ( -0.408 0.776 -20.464) 20.483 11.249 ( 0.085 -0.611 -0.206) 0.651 11.303 ( 11.305 -0.255 7.004) 13.301 11.544 ( 7.839 8.204 16.742) 20.225 11.609 ( -11.023 -13.188 9.910) 19.841 12.015 ( -4.401 -0.789 16.049) 16.661 12.566 ( -8.523 -0.675 8.127) 11.796 13.194 ( -5.538 0.909 -3.628) 6.682 13.410 ( -3.326 -17.522 6.740) 19.066 13.499 ( -3.452 -7.515 10.997) 13.760 13.524 ( -2.551 -3.776 -0.006) 4.557 13.798 ( 7.479 5.328 -1.758) 9.350 13.850 ( 2.436 -8.399 4.049) 9.637 14.282 ( -6.053 -14.485 1.112) 15.738 14.482 ( -10.617 -0.561 -3.068) 11.065 14.558 ( 2.374 22.998 -0.226) 23.121 14.891 ( 1.926 14.198 -8.337) 16.577 15.426 ( 4.688 14.639 1.929) 15.492 15.563 ( 17.752 10.250 -18.651) 27.714 16.146 ( 7.005 11.782 -2.817) 13.993 16.258 ( 2.528 10.626 -5.225) 12.108 17.056 ( -3.764 -2.325 -6.742) 8.064 17.209 ( -1.878 1.317 1.871) 2.960 17.395 ( 4.368 -8.524 3.075) 10.059 17.967 ( -7.637 0.908 -11.640) 13.951 18.404 ( -9.430 -4.052 7.797) 12.890 18.564 ( -5.744 1.900 -0.791) 6.102 18.700 ( -1.862 -3.751 -11.459) 12.200 19.083 ( -12.939 -19.189 2.147) 23.243 20.564 ( 22.215 8.355 -5.366) 24.333 21.419 ( -2.765 -1.194 -3.490) 4.610 21.785 ( -6.190 -8.073 4.110) 10.972 21.903 ( -4.089 -9.296 8.402) 13.181 22.194 ( -14.120 7.192 2.862) 16.103 22.425 ( -6.938 6.858 -0.401) 9.764 23.059 ( 24.635 9.078 -5.811) 26.890 24.745 ( 4.672 -11.040 -6.486) 13.630 ======================= Grid point 92 (33/150) ======================= q-point: ( 0.25 0.12 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( 35.850 16.091 18.554) 43.455 2.355 ( 34.701 24.755 19.763) 46.985 3.903 ( 62.271 26.923 28.608) 73.627 4.769 ( -25.284 8.119 0.067) 26.556 5.843 ( -31.533 -1.733 -8.827) 32.791 6.301 ( 20.013 -16.341 4.504) 26.227 6.881 ( 0.815 4.004 -12.967) 13.596 7.201 ( -6.262 -13.913 0.469) 15.264 7.346 ( 3.537 -12.741 6.215) 14.610 7.601 ( 0.219 4.417 8.371) 9.467 7.923 ( -4.269 -1.987 -8.133) 9.398 8.158 ( 2.210 -2.105 -2.882) 4.198 8.289 ( -3.050 11.941 -19.039) 22.680 8.561 ( -4.340 5.235 -1.343) 6.932 8.855 ( -10.418 3.279 -8.724) 13.978 9.212 ( -14.336 1.683 18.223) 23.247 9.669 ( 7.283 2.857 3.874) 8.730 9.821 ( 5.135 -0.689 -0.898) 5.258 9.972 ( 14.583 3.313 -14.217) 20.634 10.118 ( 0.465 -3.918 -0.253) 3.954 10.250 ( 10.013 0.711 7.871) 12.756 10.540 ( 8.107 -7.814 0.715) 11.283 10.923 ( 4.136 0.266 -1.931) 4.572 11.092 ( -3.656 -0.186 -22.941) 23.231 11.264 ( 0.513 -4.037 2.836) 4.960 11.451 ( 1.632 -3.521 6.145) 7.268 11.565 ( 11.189 -5.999 5.787) 13.952 11.750 ( 10.450 2.148 9.954) 14.592 11.914 ( -4.742 0.917 12.786) 13.668 12.392 ( -9.699 3.304 5.436) 11.599 13.048 ( -7.936 2.931 -6.016) 10.381 13.287 ( -7.203 -6.003 10.378) 13.987 13.448 ( -1.576 -17.973 -0.538) 18.050 13.514 ( 0.106 -10.524 7.284) 12.799 13.853 ( -1.273 -10.125 8.500) 13.281 13.899 ( -2.721 1.483 -3.804) 4.906 14.058 ( -10.974 0.553 1.968) 11.163 14.261 ( -9.773 -5.043 0.926) 11.036 14.616 ( 3.327 28.453 0.309) 28.649 14.962 ( 2.260 18.285 -2.943) 18.658 15.484 ( 3.870 7.856 2.161) 9.020 15.820 ( 6.295 -0.347 0.303) 6.312 16.280 ( 6.828 6.166 -0.350) 9.207 16.403 ( 11.253 8.054 -17.916) 22.638 16.960 ( -5.727 -0.489 -6.151) 8.418 17.188 ( -0.771 3.035 -1.677) 3.552 17.396 ( -3.794 -9.775 9.205) 13.953 17.888 ( 2.375 5.828 -6.343) 8.935 18.351 ( 1.654 -2.681 -4.732) 5.684 18.469 ( -4.882 1.773 -4.748) 7.037 18.578 ( -18.965 -12.007 -1.556) 22.500 18.740 ( -8.958 -2.245 -7.312) 11.780 20.985 ( 17.284 2.743 -7.139) 18.900 21.338 ( -5.136 -1.507 1.320) 5.513 21.629 ( -7.807 -6.694 12.110) 15.888 21.820 ( -3.026 -6.422 2.905) 7.670 22.027 ( -3.235 4.363 1.092) 5.540 22.309 ( -5.382 3.519 -0.018) 6.430 23.554 ( 24.221 6.852 -6.492) 25.995 24.755 ( -3.525 -4.716 -8.709) 10.512 ======================= Grid point 93 (34/150) ======================= q-point: ( 0.38 0.12 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.838 ( 35.386 12.889 14.415) 40.325 3.136 ( 43.441 18.014 7.886) 47.684 4.196 ( -31.374 7.370 2.897) 32.358 4.843 ( -14.699 12.832 3.637) 19.848 5.356 ( 30.977 9.930 12.654) 34.904 6.775 ( 20.403 -19.959 6.068) 29.180 6.941 ( -10.786 -9.087 -0.964) 14.136 6.990 ( 1.929 0.291 -7.026) 7.292 7.349 ( -2.783 -7.829 8.059) 11.576 7.589 ( -3.675 5.062 12.543) 14.017 7.809 ( -7.237 -8.709 -14.702) 18.557 8.027 ( -14.630 14.637 -11.618) 23.733 8.312 ( 4.908 -2.054 -4.776) 7.149 8.519 ( -1.057 0.484 -7.599) 7.687 8.686 ( -4.263 3.849 3.371) 6.660 8.916 ( -12.667 5.947 18.525) 23.216 9.771 ( 3.047 4.367 2.431) 5.853 9.854 ( -0.254 2.891 4.554) 5.400 10.179 ( 10.404 -6.891 -3.550) 12.974 10.322 ( 15.084 2.586 -12.327) 19.651 10.526 ( 11.499 -6.968 4.098) 14.057 10.612 ( -2.415 -7.719 -7.483) 11.019 10.945 ( -2.633 3.573 -14.299) 14.972 11.002 ( -2.204 -6.202 -10.299) 12.223 11.347 ( 9.357 -7.652 4.524) 12.906 11.615 ( 6.580 -4.252 4.703) 9.137 11.715 ( 8.496 2.207 3.471) 9.439 11.845 ( -0.878 -7.221 0.827) 7.321 11.938 ( 4.910 2.302 8.099) 9.746 12.163 ( -12.953 3.699 7.308) 15.326 12.931 ( -2.268 4.426 -7.766) 9.222 13.210 ( 0.523 -8.589 9.338) 12.698 13.357 ( -11.640 -6.417 -6.079) 14.615 13.473 ( -4.303 -20.289 3.571) 21.045 13.696 ( -4.320 -5.135 7.980) 10.426 13.806 ( -3.740 -7.676 10.661) 13.659 13.998 ( -1.309 3.704 2.456) 4.633 14.096 ( -7.027 -2.747 3.314) 8.241 14.700 ( 5.398 33.106 0.967) 33.557 14.941 ( -4.088 29.468 -0.178) 29.751 15.598 ( 7.119 -1.883 2.140) 7.668 15.844 ( -2.813 -2.388 5.583) 6.692 16.452 ( 9.998 2.758 -3.148) 10.838 16.648 ( 12.891 4.675 -13.495) 19.240 16.828 ( -7.487 1.214 -5.184) 9.187 17.116 ( -7.800 2.273 -4.985) 9.532 17.389 ( 6.099 -4.562 8.717) 11.576 17.985 ( -0.451 -0.842 -1.602) 1.866 18.096 ( -16.437 -3.574 0.251) 16.823 18.331 ( -6.511 0.619 -7.152) 9.691 18.462 ( 4.835 -1.805 -8.814) 10.214 18.656 ( -3.609 -2.880 -12.336) 13.171 21.179 ( 2.233 -2.867 -0.022) 3.634 21.235 ( -4.453 -2.436 5.515) 7.496 21.587 ( 4.135 1.338 7.167) 8.382 21.771 ( -2.599 -3.492 0.852) 4.436 22.019 ( 1.902 -0.414 -0.898) 2.144 22.199 ( -5.659 1.052 -0.503) 5.778 24.003 ( 20.531 4.799 -6.790) 22.151 24.618 ( -9.944 -0.334 -8.089) 12.823 ======================= Grid point 94 (35/150) ======================= q-point: (-0.50 0.12 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.534 ( -34.386 9.241 7.946) 36.482 3.534 ( 34.386 9.241 7.946) 36.482 4.040 ( -45.915 13.731 1.112) 47.938 4.040 ( 45.915 13.731 1.112) 47.938 6.315 ( -43.318 -2.621 14.123) 45.638 6.315 ( 43.318 -2.621 14.123) 45.638 7.104 ( -6.604 -0.181 -2.877) 7.206 7.104 ( 6.604 -0.181 -2.877) 7.206 7.362 ( -12.836 -6.317 6.512) 15.719 7.362 ( 12.836 -6.317 6.512) 15.719 7.797 ( -6.733 2.634 -10.507) 12.755 7.797 ( 6.733 2.634 -10.507) 12.755 8.430 ( -6.355 -4.135 -5.530) 9.384 8.430 ( 6.355 -4.135 -5.530) 9.384 8.727 ( -6.612 6.563 10.198) 13.813 8.727 ( 6.612 6.563 10.198) 13.813 9.827 ( -2.362 5.571 5.386) 8.101 9.827 ( 2.362 5.571 5.386) 8.101 10.431 ( -12.836 -8.934 -8.098) 17.611 10.431 ( 12.836 -8.934 -8.098) 17.611 10.563 ( -7.896 -1.652 -6.600) 10.422 10.563 ( 7.896 -1.652 -6.600) 10.422 10.959 ( -3.735 -3.634 -8.547) 10.010 10.959 ( 3.735 -3.634 -8.547) 10.010 11.567 ( -9.848 -4.804 0.232) 10.960 11.567 ( 9.848 -4.804 0.232) 10.960 11.874 ( -6.056 -1.404 4.525) 7.689 11.874 ( 6.056 -1.404 4.525) 7.689 11.958 ( -6.821 0.434 5.876) 9.013 11.958 ( 6.821 0.434 5.876) 9.013 13.023 ( -12.147 1.728 -6.856) 14.055 13.023 ( 12.147 1.728 -6.856) 14.055 13.358 ( -7.789 -16.027 4.645) 18.414 13.358 ( 7.789 -16.027 4.645) 18.414 13.721 ( -4.023 -7.137 10.997) 13.714 13.721 ( 4.023 -7.137 10.997) 13.714 13.997 ( -2.312 1.042 3.971) 4.712 13.997 ( 2.312 1.042 3.971) 4.712 14.826 ( -6.713 33.536 0.967) 34.215 14.826 ( 6.713 33.536 0.967) 34.215 15.742 ( -6.756 -3.879 3.698) 8.623 15.742 ( 6.756 -3.879 3.698) 8.623 16.652 ( -9.533 1.580 -4.331) 10.589 16.652 ( 9.533 1.580 -4.331) 10.589 16.909 ( -12.153 3.189 -8.332) 15.076 16.909 ( 12.153 3.189 -8.332) 15.076 17.630 ( -17.393 -4.558 7.311) 19.409 17.630 ( 17.393 -4.558 7.311) 19.409 18.183 ( -7.948 1.723 -6.894) 10.661 18.183 ( 7.948 1.723 -6.894) 10.661 18.569 ( -5.170 -3.024 -11.862) 13.288 18.569 ( 5.170 -3.024 -11.862) 13.288 21.184 ( -0.587 -3.434 6.145) 7.064 21.184 ( 0.587 -3.434 6.145) 7.064 21.697 ( -5.032 0.801 1.285) 5.255 21.697 ( 5.032 0.801 1.285) 5.255 22.090 ( -4.931 -1.074 -1.042) 5.153 22.090 ( 4.931 -1.074 -1.042) 5.153 24.364 ( -15.522 2.566 -7.318) 17.351 24.364 ( 15.522 2.566 -7.318) 17.351 ======================= Grid point 99 (36/150) ======================= q-point: ( 0.00 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( 0.000 39.133 15.993) 42.275 2.071 ( 0.000 51.162 0.387) 51.164 3.635 ( 0.000 62.308 47.114) 78.115 5.014 ( 0.000 -33.030 1.546) 33.066 5.500 ( 0.000 -3.723 -13.012) 13.535 6.232 ( 0.000 -15.629 7.207) 17.210 6.753 ( 0.000 -21.055 -1.090) 21.084 6.883 ( 0.000 -21.745 0.587) 21.753 7.507 ( 0.000 11.191 -21.031) 23.823 7.735 ( 0.000 9.780 6.575) 11.785 8.105 ( 0.000 8.179 -14.278) 16.454 8.200 ( 0.000 0.314 7.147) 7.154 8.408 ( 0.000 -4.868 -18.239) 18.877 8.801 ( 0.000 -0.636 10.640) 10.659 8.934 ( 0.000 -11.468 -15.116) 18.974 9.238 ( 0.000 13.249 -10.936) 17.179 9.536 ( 0.000 -8.258 -6.802) 10.698 9.813 ( 0.000 -1.162 8.401) 8.481 9.821 ( 0.000 2.277 0.970) 2.475 9.949 ( 0.000 3.581 -11.829) 12.359 10.231 ( 0.000 -9.340 16.664) 19.103 10.503 ( 0.000 13.306 2.266) 13.497 10.803 ( 0.000 -2.427 -6.060) 6.528 11.158 ( 0.000 1.137 4.859) 4.990 11.203 ( 0.000 1.636 -12.294) 12.402 11.275 ( 0.000 -0.976 0.497) 1.095 11.411 ( 0.000 -11.927 -2.738) 12.237 11.738 ( 0.000 15.982 23.641) 28.536 12.033 ( 0.000 -2.757 14.951) 15.203 12.624 ( 0.000 -0.017 5.990) 5.990 12.962 ( 0.000 -19.372 9.475) 21.565 13.323 ( 0.000 2.254 1.105) 2.510 13.419 ( 0.000 -8.530 7.349) 11.259 13.631 ( 0.000 -2.284 0.180) 2.292 13.673 ( 0.000 -2.717 -4.107) 4.924 13.836 ( 0.000 7.207 0.196) 7.210 13.917 ( 0.000 -15.575 6.302) 16.802 14.554 ( 0.000 -4.169 -4.006) 5.782 14.921 ( 0.000 14.946 -1.893) 15.065 15.122 ( 0.000 3.390 3.535) 4.898 15.556 ( 0.000 19.020 -12.611) 22.821 15.762 ( 0.000 12.923 4.650) 13.734 16.371 ( 0.000 13.303 -4.196) 13.949 16.562 ( 0.000 19.227 -7.706) 20.713 17.022 ( 0.000 -10.662 2.196) 10.886 17.104 ( 0.000 3.127 -12.043) 12.442 17.446 ( 0.000 7.552 -0.134) 7.553 17.983 ( 0.000 -2.742 -14.837) 15.088 18.168 ( 0.000 -25.910 7.877) 27.081 18.588 ( 0.000 0.168 -7.479) 7.481 18.782 ( 0.000 -11.172 8.616) 14.108 18.808 ( 0.000 -3.681 -6.161) 7.177 20.619 ( 0.000 18.018 -3.576) 18.369 21.411 ( 0.000 -2.084 -3.368) 3.960 21.669 ( 0.000 -11.195 3.693) 11.788 21.773 ( 0.000 -8.608 9.391) 12.739 22.435 ( 0.000 0.827 -3.235) 3.339 22.613 ( 0.000 -2.683 0.298) 2.699 23.066 ( 0.000 22.422 -7.261) 23.569 24.405 ( 0.000 -12.249 -3.115) 12.639 ======================= Grid point 100 (37/150) ======================= q-point: ( 0.12 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( 17.364 36.861 12.564) 42.640 2.391 ( 27.600 43.192 7.308) 51.776 3.862 ( 23.866 55.692 39.037) 72.076 5.189 ( 11.220 -33.812 -2.553) 35.717 5.354 ( -8.757 2.775 -5.721) 10.822 6.185 ( -4.641 -19.178 7.491) 21.106 6.803 ( 3.159 -19.972 0.949) 20.242 6.915 ( 1.523 -17.938 -3.132) 18.273 7.301 ( -16.752 9.428 -15.896) 24.944 7.744 ( 1.240 11.737 5.337) 12.953 8.022 ( -4.782 1.166 -8.857) 10.133 8.214 ( -2.457 -0.440 6.729) 7.177 8.394 ( 4.196 5.732 -18.155) 19.495 8.868 ( -5.647 -3.618 -18.586) 19.759 9.027 ( 1.810 -0.001 5.496) 5.786 9.187 ( 7.524 4.440 -3.650) 9.468 9.416 ( -7.856 -8.759 -3.833) 12.375 9.829 ( 4.442 1.929 7.016) 8.525 9.985 ( 9.594 1.962 -1.896) 9.975 9.990 ( 3.561 6.570 -12.199) 14.306 10.143 ( -5.004 -9.976 17.501) 20.757 10.472 ( -2.850 8.622 3.406) 9.699 10.852 ( 3.174 -0.442 -3.059) 4.430 11.135 ( -0.393 -0.709 -1.669) 1.855 11.203 ( -1.994 -4.782 -6.054) 7.968 11.322 ( -2.315 -8.782 -0.675) 9.107 11.354 ( 3.209 1.853 -2.422) 4.427 11.757 ( 1.570 11.553 18.270) 21.673 11.993 ( -3.289 -1.737 15.169) 15.619 12.584 ( -3.072 2.751 4.629) 6.200 12.982 ( 1.129 -18.698 9.470) 20.990 13.238 ( -7.042 -1.774 0.473) 7.277 13.401 ( -3.219 -4.522 8.820) 10.421 13.455 ( -9.850 -4.763 -1.168) 11.003 13.677 ( -2.582 -6.558 6.585) 9.645 13.866 ( 5.517 -0.116 -5.841) 8.036 14.078 ( 6.772 -3.868 4.044) 8.785 14.448 ( -10.023 -2.713 -2.215) 10.617 14.961 ( 4.429 14.122 -2.094) 14.947 15.083 ( 0.029 7.989 0.332) 7.996 15.703 ( 9.917 12.814 -4.432) 16.798 15.778 ( 1.330 13.016 3.429) 13.526 16.388 ( 1.434 11.317 -2.789) 11.744 16.546 ( -0.527 16.737 -11.650) 20.399 16.996 ( -1.781 -5.529 -1.708) 6.055 17.150 ( 3.052 -0.253 -6.415) 7.109 17.410 ( -3.590 4.675 0.564) 5.921 17.937 ( -2.646 -2.860 -10.223) 10.941 18.182 ( 1.212 -17.755 1.547) 17.863 18.556 ( -3.604 -1.404 -7.402) 8.352 18.629 ( -8.795 -4.345 3.152) 10.303 18.814 ( -4.828 -8.038 -3.784) 10.111 20.783 ( 14.262 13.202 -5.167) 20.110 21.389 ( -2.582 -1.716 -0.787) 3.199 21.599 ( -6.128 -9.937 5.697) 12.990 21.729 ( -3.171 -8.571 6.600) 11.273 22.294 ( -10.823 3.628 -0.217) 11.416 22.497 ( -7.715 0.591 0.827) 7.782 23.317 ( 19.784 16.142 -7.170) 26.521 24.516 ( 8.057 -12.159 -6.499) 15.969 ======================= Grid point 101 (38/150) ======================= q-point: ( 0.25 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.568 ( 28.253 28.118 12.495) 41.774 2.975 ( 29.804 37.561 13.163) 49.723 4.578 ( 45.115 38.313 21.997) 63.143 4.883 ( -25.105 -1.042 -4.702) 25.563 5.656 ( 13.829 -15.329 -0.441) 20.650 6.006 ( -8.674 -14.683 11.560) 20.602 6.825 ( -2.215 -8.643 -10.285) 13.615 6.882 ( -0.907 -18.078 1.158) 18.137 7.079 ( -4.045 -6.190 -2.677) 7.864 7.767 ( -0.062 9.845 -1.835) 10.014 7.938 ( -4.769 3.369 -2.187) 6.235 8.158 ( -0.715 0.612 5.781) 5.857 8.509 ( 4.504 5.035 -15.957) 17.328 8.681 ( -12.654 6.002 -15.085) 20.585 8.896 ( -7.492 4.844 -0.197) 8.924 9.193 ( -6.087 -3.863 7.875) 10.677 9.571 ( 13.302 -11.991 1.305) 17.956 9.899 ( 2.087 7.180 -0.689) 7.509 10.001 ( -2.025 -4.912 11.434) 12.609 10.093 ( 7.589 6.161 -15.549) 18.366 10.274 ( 9.971 0.884 4.255) 10.877 10.447 ( 3.509 -0.330 0.497) 3.559 10.870 ( -2.041 -6.531 -0.593) 6.868 11.110 ( -2.462 -0.134 -5.351) 5.892 11.164 ( -0.942 -1.497 -4.912) 5.221 11.294 ( 4.630 -10.461 1.517) 11.540 11.504 ( 8.219 -2.376 -0.060) 8.556 11.781 ( -0.335 0.832 7.394) 7.449 11.947 ( 0.085 2.547 14.325) 14.550 12.496 ( -7.025 7.229 4.816) 11.172 12.977 ( -2.267 -16.659 3.927) 17.265 13.094 ( -6.139 -4.645 3.777) 8.575 13.248 ( -9.093 -5.031 0.129) 10.393 13.335 ( -3.503 -8.642 6.354) 11.284 13.652 ( -0.797 -5.322 11.277) 12.495 13.905 ( -3.003 -0.403 -4.170) 5.154 14.117 ( -3.063 3.478 2.219) 5.139 14.225 ( -8.718 -0.676 3.093) 9.275 15.095 ( 8.134 16.938 -0.725) 18.804 15.183 ( 9.492 5.942 -2.379) 11.448 15.745 ( -3.269 17.206 3.175) 17.799 15.874 ( 3.865 7.154 3.519) 8.860 16.418 ( 2.431 7.943 -2.231) 8.600 16.595 ( 5.695 10.422 -15.351) 19.409 16.949 ( -3.290 -1.203 -3.615) 5.034 17.205 ( 2.937 -2.016 -1.551) 3.885 17.311 ( -6.061 1.992 0.011) 6.380 17.939 ( 3.002 0.361 -8.828) 9.331 18.184 ( -4.396 -15.633 -4.314) 16.802 18.386 ( -9.715 -5.316 1.605) 11.190 18.496 ( -5.223 0.872 -4.234) 6.780 18.688 ( -5.869 -3.072 -8.845) 11.050 21.057 ( 9.479 4.164 -6.882) 12.432 21.297 ( -6.366 -2.619 4.226) 8.077 21.505 ( -0.164 -5.193 10.175) 11.424 21.693 ( -0.086 -6.151 0.732) 6.195 22.104 ( -7.360 3.675 1.510) 8.364 22.351 ( -7.145 0.367 1.409) 7.292 23.737 ( 21.079 11.334 -7.413) 25.055 24.628 ( 2.159 -8.056 -8.947) 12.231 ======================= Grid point 102 (39/150) ======================= q-point: ( 0.38 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.160 ( 30.000 19.462 14.350) 38.532 3.623 ( 36.216 30.609 7.779) 48.053 4.338 ( -28.873 5.224 2.756) 29.471 5.170 ( -27.970 18.116 3.465) 33.504 5.587 ( 35.184 11.049 8.644) 37.877 6.317 ( 22.285 -23.807 9.110) 33.858 6.699 ( -10.112 -12.659 -4.621) 16.848 6.946 ( 0.392 -18.399 4.628) 18.976 7.096 ( 10.589 -0.418 -3.822) 11.265 7.741 ( -3.632 0.609 -12.031) 12.582 7.794 ( -6.752 11.441 9.066) 16.084 8.191 ( -2.715 1.357 -2.138) 3.713 8.365 ( -12.777 4.693 -5.059) 14.521 8.525 ( -3.982 5.606 -10.820) 12.820 8.798 ( -1.359 6.088 2.934) 6.893 9.035 ( -10.372 5.009 11.893) 16.556 9.766 ( 9.033 -6.339 -1.781) 11.178 9.937 ( 1.338 2.630 0.839) 3.068 10.037 ( 5.611 -4.456 1.272) 7.277 10.289 ( 10.976 -6.647 -11.179) 17.018 10.387 ( 0.353 -7.637 -1.799) 7.854 10.495 ( -2.147 -1.365 -6.511) 6.991 10.870 ( 3.461 -4.705 -2.431) 6.327 11.042 ( -5.297 5.155 -13.409) 15.311 11.227 ( 8.032 -4.721 5.443) 10.790 11.475 ( 13.218 -8.145 6.333) 16.768 11.653 ( 0.209 -9.250 1.044) 9.311 11.745 ( 4.116 -2.419 5.468) 7.259 11.981 ( 0.821 1.971 7.111) 7.425 12.267 ( -15.859 5.896 6.977) 18.301 12.913 ( -2.331 -10.185 -0.585) 10.465 12.995 ( -5.007 -11.971 7.757) 15.118 13.134 ( -1.563 -4.953 -5.881) 7.846 13.263 ( -4.751 -8.922 2.617) 10.442 13.638 ( -0.003 0.648 12.636) 12.653 13.770 ( -7.263 4.787 6.879) 11.090 14.032 ( -2.407 0.166 2.449) 3.438 14.127 ( -4.362 2.623 4.729) 6.948 15.267 ( 9.069 20.369 0.926) 22.316 15.412 ( 12.265 8.685 -3.400) 15.408 15.634 ( -7.243 14.891 3.988) 17.033 15.846 ( -6.217 6.255 2.978) 9.308 16.522 ( 7.678 4.024 -3.807) 9.467 16.746 ( 7.680 4.572 -11.139) 14.281 16.865 ( -3.920 2.331 -4.783) 6.609 17.170 ( -8.206 2.383 -3.547) 9.252 17.303 ( 7.687 -3.164 1.544) 8.455 17.870 ( -18.071 -9.527 2.562) 20.589 18.066 ( 5.707 -0.495 -8.509) 10.257 18.332 ( -2.970 -0.779 -8.836) 9.354 18.414 ( 0.188 -2.818 -3.818) 4.749 18.587 ( -4.764 -3.948 -9.760) 11.556 21.110 ( -1.283 -3.781 0.728) 4.059 21.169 ( -5.507 -4.041 6.229) 9.245 21.625 ( 8.599 2.353 4.899) 10.172 21.713 ( 1.552 -1.992 -0.775) 2.642 22.011 ( -1.696 -0.023 0.911) 1.925 22.205 ( -7.625 -0.817 1.265) 7.773 24.126 ( 17.470 7.309 -7.771) 20.470 24.595 ( -5.366 -2.286 -8.926) 10.663 ======================= Grid point 103 (40/150) ======================= q-point: (-0.50 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.752 ( -29.565 12.012 10.078) 33.466 3.752 ( 29.565 12.012 10.078) 33.466 4.404 ( -40.922 22.415 3.592) 46.797 4.404 ( 40.922 22.415 3.592) 46.797 6.268 ( -25.427 -3.483 3.246) 25.869 6.268 ( 25.427 -3.483 3.246) 25.869 6.786 ( -14.367 -23.682 6.185) 28.381 6.786 ( 14.367 -23.682 6.185) 28.381 7.474 ( -20.544 11.097 -4.020) 23.693 7.474 ( 20.544 11.097 -4.020) 23.693 7.877 ( -13.529 3.102 -2.185) 14.051 7.877 ( 13.529 3.102 -2.185) 14.051 8.405 ( -6.829 4.381 -3.970) 9.033 8.405 ( 6.829 4.381 -3.970) 9.033 8.851 ( -6.498 5.560 7.935) 11.666 8.851 ( 6.498 5.560 7.935) 11.666 9.916 ( -4.287 0.273 -0.006) 4.296 9.916 ( 4.287 0.273 -0.006) 4.296 10.214 ( -11.638 -10.499 -6.405) 16.932 10.214 ( 11.638 -10.499 -6.405) 16.932 10.472 ( -5.096 -7.378 -7.147) 11.466 10.472 ( 5.096 -7.378 -7.147) 11.466 10.931 ( -4.267 1.511 -7.187) 8.494 10.931 ( 4.267 1.511 -7.187) 8.494 11.448 ( -12.303 -6.834 3.197) 14.432 11.448 ( 12.303 -6.834 3.197) 14.432 11.839 ( -16.768 -2.090 5.167) 17.670 11.839 ( 16.768 -2.090 5.167) 17.670 11.958 ( -10.506 -0.959 7.338) 12.851 11.958 ( 10.506 -0.959 7.338) 12.851 12.914 ( -2.376 -11.598 2.658) 12.134 12.914 ( 2.376 -11.598 2.658) 12.134 13.162 ( -3.918 -4.778 -4.970) 7.930 13.162 ( 3.918 -4.778 -4.970) 7.930 13.672 ( -3.189 3.652 13.868) 14.691 13.672 ( 3.189 3.652 13.868) 14.691 14.041 ( -3.183 1.848 4.064) 5.483 14.041 ( 3.183 1.848 4.064) 5.483 15.451 ( -8.951 24.337 1.422) 25.970 15.451 ( 8.951 24.337 1.422) 25.970 15.666 ( -10.861 1.248 0.369) 10.939 15.666 ( 10.861 1.248 0.369) 10.939 16.689 ( -8.237 1.924 -4.219) 9.453 16.689 ( 8.237 1.924 -4.219) 9.453 16.983 ( -10.266 3.873 -7.881) 13.509 16.983 ( 10.266 3.873 -7.881) 13.509 17.525 ( -14.709 -5.728 3.940) 16.269 17.525 ( 14.709 -5.728 3.940) 16.269 18.208 ( -7.445 0.741 -8.466) 11.298 18.208 ( 7.445 0.741 -8.466) 11.298 18.489 ( -4.963 -4.869 -8.311) 10.836 18.489 ( 4.963 -4.869 -8.311) 10.836 21.100 ( -1.255 -4.671 5.242) 7.132 21.100 ( 1.255 -4.671 5.242) 7.132 21.728 ( -1.152 2.322 0.857) 2.730 21.728 ( 1.152 2.322 0.857) 2.730 22.058 ( -6.148 -2.157 0.858) 6.571 22.058 ( 6.148 -2.157 0.858) 6.571 24.421 ( -11.931 2.895 -8.308) 14.824 24.421 ( 11.931 2.895 -8.308) 14.824 ======================= Grid point 108 (41/150) ======================= q-point: ( 0.00 0.38 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.707 ( 0.000 41.709 8.418) 42.551 3.097 ( 0.000 52.509 -10.015) 53.455 4.310 ( 0.000 -38.551 2.188) 38.613 4.683 ( 0.000 23.409 18.011) 29.536 5.155 ( 0.000 -6.595 2.272) 6.975 6.120 ( 0.000 -4.318 19.936) 20.399 6.386 ( 0.000 -14.032 0.516) 14.041 6.467 ( 0.000 -17.762 1.083) 17.795 7.679 ( 0.000 6.233 -17.267) 18.357 7.981 ( 0.000 13.189 8.305) 15.586 8.049 ( 0.000 -15.435 -1.851) 15.545 8.235 ( 0.000 3.131 -5.038) 5.931 8.392 ( 0.000 5.281 -15.345) 16.229 8.718 ( 0.000 -9.622 -9.508) 13.527 8.846 ( 0.000 5.874 4.112) 7.171 9.315 ( 0.000 -13.599 -7.801) 15.678 9.404 ( 0.000 5.890 6.355) 8.664 9.826 ( 0.000 -6.034 12.795) 14.146 9.882 ( 0.000 3.630 2.758) 4.559 9.979 ( 0.000 -0.265 -3.654) 3.664 10.089 ( 0.000 4.726 2.494) 5.343 10.725 ( 0.000 -10.928 -10.817) 15.376 10.756 ( 0.000 12.544 -8.674) 15.251 11.066 ( 0.000 -3.925 3.831) 5.485 11.132 ( 0.000 -4.486 -4.831) 6.593 11.218 ( 0.000 -4.718 -2.777) 5.474 11.501 ( 0.000 12.468 -10.869) 16.541 11.940 ( 0.000 -7.176 8.814) 11.366 12.048 ( 0.000 15.387 24.205) 28.682 12.621 ( 0.000 -15.553 18.231) 23.963 12.687 ( 0.000 6.746 1.859) 6.998 13.178 ( 0.000 -15.186 2.445) 15.382 13.391 ( 0.000 4.330 -0.469) 4.356 13.584 ( 0.000 -1.036 3.105) 3.273 13.589 ( 0.000 -5.146 -2.539) 5.738 13.710 ( 0.000 -6.965 6.850) 9.769 14.022 ( 0.000 10.897 -1.939) 11.068 14.431 ( 0.000 -8.329 -3.838) 9.171 15.103 ( 0.000 6.153 0.078) 6.153 15.214 ( 0.000 3.228 4.785) 5.771 15.845 ( 0.000 12.019 0.581) 12.033 15.987 ( 0.000 8.009 6.982) 10.625 16.585 ( 0.000 8.937 -6.752) 11.201 16.848 ( 0.000 -4.974 -7.137) 8.699 16.923 ( 0.000 15.224 0.054) 15.224 17.222 ( 0.000 8.581 -17.337) 19.345 17.525 ( 0.000 -1.360 -10.509) 10.597 17.677 ( 0.000 -23.544 7.561) 24.729 18.002 ( 0.000 6.648 -2.226) 7.011 18.524 ( 0.000 -14.799 8.537) 17.085 18.613 ( 0.000 2.171 -8.560) 8.831 18.740 ( 0.000 -3.582 -8.255) 8.999 20.963 ( 0.000 16.592 -2.961) 16.855 21.370 ( 0.000 -2.346 -1.029) 2.562 21.484 ( 0.000 -7.027 6.634) 9.664 21.591 ( 0.000 -9.703 4.535) 10.711 22.459 ( 0.000 1.685 -2.413) 2.943 22.556 ( 0.000 -2.991 -0.505) 3.033 23.479 ( 0.000 19.806 -6.730) 20.919 24.148 ( 0.000 -14.368 -5.568) 15.409 ======================= Grid point 109 (42/150) ======================= q-point: ( 0.12 0.38 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.860 ( 13.145 40.247 6.070) 42.772 3.299 ( 19.677 47.844 -2.960) 51.816 4.459 ( 10.773 -38.128 -1.378) 39.645 4.783 ( 12.184 15.718 15.399) 25.152 5.219 ( 6.551 0.602 3.947) 7.671 5.898 ( -13.982 -9.273 18.433) 24.924 6.453 ( 4.897 -12.566 3.678) 13.979 6.638 ( 10.405 -10.725 -0.230) 14.945 7.490 ( -17.224 9.420 -13.624) 23.896 7.951 ( -1.028 -3.931 5.165) 6.572 8.031 ( -7.007 3.611 -11.762) 14.159 8.134 ( 1.659 0.474 5.231) 5.508 8.508 ( 0.008 2.877 -15.114) 15.386 8.668 ( 2.490 -8.203 -3.526) 9.270 9.024 ( 9.435 -0.139 5.070) 10.712 9.176 ( -4.808 -6.381 -4.655) 9.247 9.453 ( -4.240 9.022 -6.003) 11.637 9.799 ( 2.800 -7.352 12.433) 14.713 9.953 ( 0.205 -2.569 8.251) 8.644 10.007 ( 6.767 0.686 -5.635) 8.833 10.151 ( 7.974 8.114 -1.628) 11.492 10.647 ( -6.427 3.443 -10.860) 13.081 10.762 ( -1.837 -6.385 -1.873) 6.903 11.056 ( -1.480 -3.056 -3.936) 5.198 11.100 ( -0.787 -2.891 3.052) 4.277 11.248 ( 1.271 -3.266 -5.108) 6.195 11.476 ( -1.731 9.784 -8.270) 12.927 11.865 ( -6.124 -5.163 9.374) 12.330 12.051 ( -0.202 11.973 19.508) 22.890 12.612 ( 0.998 -11.212 12.358) 16.717 12.714 ( 0.029 2.493 7.482) 7.887 13.111 ( -5.303 -11.198 1.213) 12.449 13.325 ( -7.284 -1.915 1.917) 7.772 13.373 ( -11.026 -2.870 4.847) 12.381 13.644 ( 0.792 1.848 3.606) 4.128 13.802 ( 5.816 -4.720 -2.781) 7.990 14.111 ( 6.167 5.231 1.580) 8.240 14.367 ( -6.243 -5.624 -1.393) 8.517 15.114 ( 1.931 5.252 -0.475) 5.616 15.221 ( 1.571 3.349 3.210) 4.898 15.930 ( 7.261 10.658 2.714) 13.179 16.021 ( 2.685 9.091 5.464) 10.941 16.590 ( 0.452 9.248 -6.398) 11.255 16.831 ( -2.712 6.319 -10.396) 12.464 16.891 ( -0.777 2.077 0.532) 2.281 17.234 ( -1.004 5.875 -12.245) 13.618 17.430 ( -4.397 -3.488 -6.595) 8.660 17.783 ( 6.392 -15.626 -0.034) 16.883 17.985 ( -1.397 4.445 -3.706) 5.953 18.429 ( -8.134 -11.696 6.752) 15.766 18.593 ( -2.449 1.394 -6.917) 7.469 18.712 ( -3.059 -3.877 -8.393) 9.738 21.049 ( 7.251 13.346 -3.942) 15.692 21.364 ( -2.133 -0.360 2.211) 3.094 21.428 ( -4.116 -7.379 6.955) 10.943 21.555 ( -1.741 -9.221 1.814) 9.557 22.356 ( -8.621 3.008 -0.461) 9.142 22.473 ( -6.800 -2.464 0.629) 7.260 23.649 ( 14.736 17.155 -7.338) 23.776 24.263 ( 9.579 -13.847 -7.191) 18.309 ======================= Grid point 110 (43/150) ======================= q-point: ( 0.25 0.38 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.184 ( 18.970 34.186 6.388) 39.615 3.773 ( 25.121 42.833 8.078) 50.309 4.546 ( -3.871 -29.448 -5.722) 30.248 5.190 ( 24.711 4.285 12.712) 28.118 5.449 ( 17.911 -1.871 4.226) 18.498 5.684 ( -7.776 -8.558 15.789) 19.570 6.567 ( 4.286 -8.696 5.421) 11.107 6.725 ( -2.835 -3.434 -3.919) 5.932 7.158 ( -10.078 12.992 -7.044) 17.889 7.875 ( -6.344 -2.280 -13.933) 15.478 7.986 ( 1.453 -2.013 6.264) 6.738 8.148 ( -1.596 -3.699 2.125) 4.555 8.442 ( -1.658 0.703 -5.992) 6.257 8.751 ( 1.030 -1.919 -3.806) 4.385 8.995 ( -2.952 -0.345 1.540) 3.347 9.244 ( -9.066 8.883 -0.798) 12.717 9.340 ( 8.094 -4.945 -5.429) 10.929 9.847 ( 1.719 -7.562 6.749) 10.280 10.042 ( 6.794 3.775 3.535) 8.538 10.147 ( 6.326 -2.254 -10.005) 12.050 10.373 ( 4.231 8.904 -9.255) 13.522 10.474 ( -4.367 1.419 -3.436) 5.735 10.704 ( -0.932 -6.232 3.912) 7.417 11.048 ( 1.329 -12.271 0.957) 12.379 11.116 ( 3.474 2.710 4.917) 6.602 11.239 ( -2.219 1.777 -8.845) 9.291 11.465 ( 1.193 0.750 -1.891) 2.359 11.736 ( -6.385 -5.993 6.770) 11.069 12.051 ( 0.372 8.899 12.222) 15.123 12.603 ( -8.572 -12.471 11.094) 18.764 12.683 ( 1.939 3.994 4.498) 6.320 12.999 ( -6.837 -5.788 4.782) 10.154 13.139 ( -8.102 -4.905 0.421) 9.480 13.191 ( -7.256 -5.960 6.505) 11.423 13.676 ( 2.194 5.547 6.443) 8.780 13.880 ( 2.337 -2.527 -2.567) 4.294 14.173 ( -3.726 2.154 2.673) 5.066 14.214 ( -5.325 -0.513 4.321) 6.877 15.215 ( 8.174 2.138 -0.907) 8.498 15.293 ( 5.290 1.575 2.523) 6.069 16.055 ( 0.869 12.329 2.352) 12.582 16.081 ( 5.819 11.112 4.003) 13.167 16.594 ( -0.291 9.991 -5.364) 11.344 16.789 ( 0.192 9.549 -11.575) 15.006 16.892 ( -0.134 -4.297 -1.195) 4.462 17.170 ( -3.285 -4.006 -5.795) 7.773 17.380 ( -2.478 5.807 -7.649) 9.918 17.855 ( -2.311 -16.166 -6.190) 17.464 17.970 ( 1.618 3.828 -3.688) 5.557 18.271 ( -5.130 -7.569 4.266) 10.090 18.515 ( -5.329 1.434 -6.578) 8.587 18.624 ( -5.408 -3.424 -8.402) 10.563 21.129 ( -1.908 2.935 -2.463) 4.281 21.239 ( -8.274 -3.210 6.172) 10.810 21.453 ( 8.173 0.133 5.495) 9.850 21.584 ( 4.267 -5.001 -1.491) 6.741 22.178 ( -8.506 3.928 1.661) 9.515 22.325 ( -7.750 -2.720 1.884) 8.427 23.977 ( 16.652 12.740 -8.104) 22.479 24.445 ( 7.274 -10.505 -8.918) 15.582 ======================= Grid point 111 (44/150) ======================= q-point: ( 0.38 0.38 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.582 ( 20.131 23.213 11.800) 32.914 4.281 ( 24.105 32.623 7.445) 41.240 4.331 ( -13.070 -4.609 5.514) 14.916 5.368 ( -17.825 -4.591 9.354) 20.648 5.732 ( 20.142 5.821 0.229) 20.967 5.903 ( 24.248 -16.666 5.854) 30.000 6.451 ( -11.940 -10.950 -1.418) 16.263 6.632 ( -8.896 -10.314 3.532) 14.071 7.267 ( 19.630 17.193 -2.160) 26.184 7.767 ( -4.156 0.456 -12.478) 13.160 7.930 ( -5.468 1.998 3.903) 7.009 8.128 ( -2.813 -7.923 -0.448) 8.419 8.472 ( 3.770 10.157 -0.481) 10.845 8.688 ( -5.544 2.157 -2.231) 6.354 8.952 ( -2.868 9.109 -0.794) 9.583 9.077 ( -5.720 4.674 2.763) 7.887 9.524 ( 9.092 -15.642 -1.485) 18.154 9.859 ( -1.962 -11.988 -3.342) 12.599 10.089 ( -5.750 8.372 -4.430) 11.080 10.226 ( 4.194 -0.035 -3.862) 5.702 10.234 ( -1.930 -3.584 -2.934) 5.018 10.474 ( -5.167 -3.990 -12.361) 13.979 10.842 ( 9.532 2.156 2.499) 10.087 11.106 ( 2.881 -3.949 6.824) 8.394 11.172 ( -1.954 2.340 -7.591) 8.180 11.329 ( 16.759 -5.946 4.358) 18.309 11.510 ( -0.247 -3.576 2.657) 4.462 11.659 ( 3.915 -6.045 6.420) 9.648 12.029 ( -4.213 3.792 7.012) 9.016 12.308 ( -19.477 -4.342 6.872) 21.105 12.733 ( 1.948 -2.238 4.351) 5.266 12.841 ( -6.835 -4.159 7.590) 11.028 13.050 ( -2.098 -5.321 -2.364) 6.189 13.086 ( -3.574 -8.241 4.750) 10.161 13.735 ( 3.834 7.636 9.364) 12.676 13.908 ( -0.505 5.868 2.339) 6.337 14.020 ( -5.054 0.189 5.835) 7.722 14.154 ( -4.319 -0.232 4.563) 6.287 15.394 ( 8.047 -2.922 1.163) 8.639 15.407 ( 5.421 -1.536 4.012) 6.917 16.041 ( -0.857 18.943 -0.674) 18.974 16.139 ( -1.012 17.321 -1.277) 17.397 16.605 ( 2.737 4.942 -4.857) 7.450 16.812 ( -1.855 1.424 -4.788) 5.329 16.900 ( 4.050 1.628 -7.529) 8.703 17.138 ( -1.531 -5.863 -3.972) 7.246 17.326 ( -0.829 5.152 -5.944) 7.909 17.664 ( -13.286 -10.846 -1.972) 17.264 18.071 ( 7.091 1.757 -6.353) 9.681 18.270 ( 3.518 -5.667 -3.881) 7.717 18.389 ( -6.876 0.785 -5.785) 9.020 18.508 ( -6.113 -4.091 -7.366) 10.410 21.050 ( -3.690 -1.922 2.172) 4.693 21.091 ( -5.914 -3.574 5.674) 8.941 21.665 ( 10.367 1.523 1.901) 10.649 21.692 ( 6.185 -0.407 -0.287) 6.205 22.031 ( -5.778 2.297 1.895) 6.500 22.166 ( -8.310 -3.046 2.122) 9.101 24.274 ( 12.644 7.581 -8.590) 17.063 24.526 ( 0.561 -4.723 -9.256) 10.406 ======================= Grid point 112 (45/150) ======================= q-point: (-0.50 0.38 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.971 ( -18.906 9.478 12.118) 24.375 3.971 ( 18.906 9.478 12.118) 24.375 4.858 ( -29.431 21.868 6.030) 37.159 4.858 ( 29.431 21.868 6.030) 37.159 6.122 ( -15.343 -10.146 -4.547) 18.948 6.122 ( 15.343 -10.146 -4.547) 18.948 6.367 ( -15.286 -18.240 8.304) 25.205 6.367 ( 15.286 -18.240 8.304) 25.205 7.660 ( -11.332 6.490 -9.285) 16.023 7.660 ( 11.332 6.490 -9.285) 16.023 7.943 ( -10.670 5.845 4.204) 12.872 7.943 ( 10.670 5.845 4.204) 12.872 8.571 ( -5.712 7.897 -2.598) 10.087 8.571 ( 5.712 7.897 -2.598) 10.087 8.962 ( -4.649 7.811 3.706) 9.816 8.962 ( 4.649 7.811 3.706) 9.816 9.717 ( -10.195 -16.802 -2.396) 19.799 9.717 ( 10.195 -16.802 -2.396) 19.799 10.121 ( -8.004 -3.557 -8.790) 12.410 10.121 ( 8.004 -3.557 -8.790) 12.410 10.350 ( -6.419 -2.155 -4.056) 7.893 10.350 ( 6.419 -2.155 -4.056) 7.893 11.008 ( -7.670 5.825 -2.021) 9.841 11.008 ( 7.670 5.825 -2.021) 9.841 11.308 ( -9.838 -7.546 3.169) 12.797 11.308 ( 9.838 -7.546 3.169) 12.797 11.799 ( -15.315 -1.485 4.697) 16.088 11.799 ( 15.315 -1.485 4.697) 16.088 11.908 ( -12.408 -3.891 7.491) 15.007 11.908 ( 12.408 -3.891 7.491) 15.007 12.763 ( -1.698 -2.492 5.630) 6.387 12.763 ( 1.698 -2.492 5.630) 6.387 13.039 ( -1.042 -7.296 -0.253) 7.374 13.039 ( 1.042 -7.296 -0.253) 7.374 13.826 ( -5.193 9.704 9.467) 14.518 13.826 ( 5.193 9.704 9.467) 14.518 14.050 ( -5.165 -1.075 4.044) 6.647 14.050 ( 5.165 -1.075 4.044) 6.647 15.475 ( -0.415 -5.326 4.484) 6.974 15.475 ( 0.415 -5.326 4.484) 6.974 16.070 ( -3.892 23.079 -4.253) 23.788 16.070 ( 3.892 23.079 -4.253) 23.788 16.709 ( -6.599 -0.433 -3.951) 7.703 16.709 ( 6.599 -0.433 -3.951) 7.703 17.037 ( -7.570 1.238 -7.108) 10.457 17.037 ( 7.570 1.238 -7.108) 10.457 17.422 ( -9.686 -4.360 -1.364) 10.709 17.422 ( 9.686 -4.360 -1.364) 10.709 18.224 ( -7.797 1.493 -8.277) 11.469 18.224 ( 7.797 1.493 -8.277) 11.469 18.386 ( -5.832 -5.518 -4.922) 9.418 18.386 ( 5.832 -5.518 -4.922) 9.418 21.020 ( -0.993 -3.109 4.372) 5.456 21.020 ( 0.993 -3.109 4.372) 5.456 21.781 ( -1.693 2.802 0.860) 3.385 21.781 ( 1.693 2.802 0.860) 3.385 22.011 ( -5.507 -2.454 1.830) 6.301 22.011 ( 5.507 -2.454 1.830) 6.301 24.466 ( -6.448 1.634 -8.977) 11.173 24.466 ( 6.448 1.634 -8.977) 11.173 ======================= Grid point 117 (46/150) ======================= q-point: ( 0.00 -0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.524 ( 0.000 -41.467 4.193) 41.679 3.524 ( 0.000 41.467 4.193) 41.679 4.086 ( 0.000 -47.558 -14.141) 49.616 4.086 ( 0.000 47.558 -14.141) 49.616 5.780 ( 0.000 -32.368 29.301) 43.660 5.780 ( 0.000 32.368 29.301) 43.660 6.263 ( 0.000 -2.172 1.499) 2.639 6.263 ( 0.000 2.172 1.499) 2.639 7.796 ( 0.000 -8.205 -11.881) 14.439 7.796 ( 0.000 8.205 -11.881) 14.439 8.191 ( 0.000 -7.307 5.442) 9.111 8.191 ( 0.000 7.307 5.442) 9.111 8.541 ( 0.000 -8.824 -12.070) 14.952 8.541 ( 0.000 8.824 -12.070) 14.952 9.041 ( 0.000 -13.284 -5.399) 14.339 9.041 ( 0.000 13.284 -5.399) 14.339 9.581 ( 0.000 -12.885 16.253) 20.741 9.581 ( 0.000 12.885 16.253) 20.741 9.947 ( 0.000 -2.760 1.324) 3.062 9.947 ( 0.000 2.760 1.324) 3.062 10.390 ( 0.000 -19.569 -8.040) 21.157 10.390 ( 0.000 19.569 -8.040) 21.157 10.983 ( 0.000 -10.232 -10.636) 14.758 10.983 ( 0.000 10.232 -10.636) 14.758 11.113 ( 0.000 -5.409 -1.288) 5.560 11.113 ( 0.000 5.409 -1.288) 5.560 11.750 ( 0.000 -11.914 -0.872) 11.945 11.750 ( 0.000 11.914 -0.872) 11.945 12.336 ( 0.000 -14.222 23.098) 27.125 12.336 ( 0.000 14.222 23.098) 27.125 12.887 ( 0.000 -13.357 0.722) 13.377 12.887 ( 0.000 13.357 0.722) 13.377 13.486 ( 0.000 -5.217 -1.508) 5.431 13.486 ( 0.000 5.217 -1.508) 5.431 13.609 ( 0.000 -3.423 5.727) 6.672 13.609 ( 0.000 3.423 5.727) 6.672 14.240 ( 0.000 -10.913 -3.152) 11.359 14.240 ( 0.000 10.913 -3.152) 11.359 15.204 ( 0.000 -3.687 3.119) 4.829 15.204 ( 0.000 3.687 3.119) 4.829 16.019 ( 0.000 -4.668 6.254) 7.804 16.019 ( 0.000 4.668 6.254) 7.804 16.731 ( 0.000 -6.346 -8.690) 10.761 16.731 ( 0.000 6.346 -8.690) 10.761 17.262 ( 0.000 -18.963 4.346) 19.455 17.262 ( 0.000 18.963 4.346) 19.455 17.406 ( 0.000 -9.119 -18.231) 20.384 17.406 ( 0.000 9.119 -18.231) 20.384 18.227 ( 0.000 -14.649 6.845) 16.170 18.227 ( 0.000 14.649 6.845) 16.170 18.670 ( 0.000 -3.447 -8.630) 9.293 18.670 ( 0.000 3.447 -8.630) 9.293 21.246 ( 0.000 -11.495 -0.525) 11.507 21.246 ( 0.000 11.495 -0.525) 11.507 21.445 ( 0.000 -3.469 4.241) 5.479 21.445 ( 0.000 3.469 4.241) 5.479 22.501 ( 0.000 -2.550 -1.455) 2.936 22.501 ( 0.000 2.550 -1.455) 2.936 23.840 ( 0.000 -17.141 -6.396) 18.296 23.840 ( 0.000 17.141 -6.396) 18.296 ======================= Grid point 119 (47/150) ======================= q-point: ( 0.12 -0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.652 ( 10.952 -39.544 1.374) 41.055 3.652 ( 10.952 39.544 1.374) 41.055 4.235 ( 14.760 -42.564 -7.460) 45.664 4.235 ( 14.760 42.564 -7.460) 45.664 5.677 ( -6.769 -18.472 22.085) 29.577 5.677 ( -6.769 18.472 22.085) 29.577 6.422 ( 12.239 -9.420 4.811) 16.176 6.422 ( 12.239 9.420 4.811) 16.176 7.689 ( -9.176 -12.419 -9.489) 18.124 7.689 ( -9.176 12.419 -9.489) 18.124 8.149 ( -4.628 -3.022 0.416) 5.542 8.149 ( -4.628 3.022 0.416) 5.542 8.561 ( 2.391 -4.832 -5.371) 7.610 8.561 ( 2.391 4.832 -5.371) 7.610 9.067 ( 1.184 -4.434 -3.711) 5.902 9.067 ( 1.184 4.434 -3.711) 5.902 9.612 ( 3.246 -8.688 9.365) 13.180 9.612 ( 3.246 8.688 9.365) 13.180 9.990 ( 3.291 -2.710 -0.440) 4.286 9.990 ( 3.291 2.710 -0.440) 4.286 10.389 ( 1.409 -16.104 -5.660) 17.128 10.389 ( 1.409 16.104 -5.660) 17.128 10.910 ( -5.955 -10.262 -8.445) 14.564 10.910 ( -5.955 10.262 -8.445) 14.564 11.156 ( 2.589 -5.361 -1.184) 6.070 11.156 ( 2.589 5.361 -1.184) 6.070 11.692 ( -5.150 -11.059 -0.066) 12.200 11.692 ( -5.150 11.059 -0.066) 12.200 12.325 ( -1.096 -14.959 20.019) 25.015 12.325 ( -1.096 14.959 20.019) 25.015 12.882 ( -0.510 -11.061 2.006) 11.253 12.882 ( -0.510 11.061 2.006) 11.253 13.328 ( -11.093 -1.650 3.440) 11.731 13.328 ( -11.093 1.650 3.440) 11.731 13.710 ( 5.486 -4.408 0.729) 7.075 13.710 ( 5.486 4.408 0.729) 7.075 14.238 ( -0.459 -7.125 -0.354) 7.149 14.238 ( -0.459 7.125 -0.354) 7.149 15.207 ( 0.954 -3.744 2.221) 4.456 15.207 ( 0.954 3.744 2.221) 4.456 16.079 ( 5.224 -3.237 5.877) 8.504 16.079 ( 5.224 3.237 5.877) 8.504 16.744 ( 1.273 -6.602 -8.392) 10.753 16.744 ( 1.273 6.602 -8.392) 10.753 17.137 ( -8.023 -13.453 -2.807) 15.913 17.137 ( -8.023 13.453 -2.807) 15.913 17.512 ( 5.947 -11.586 -12.229) 17.865 17.512 ( 5.947 11.586 -12.229) 17.865 18.177 ( -4.431 -12.827 6.235) 14.935 18.177 ( -4.431 12.827 6.235) 14.935 18.642 ( -2.811 -3.246 -8.390) 9.425 18.642 ( -2.811 3.246 -8.390) 9.425 21.280 ( 0.967 -9.505 1.321) 9.645 21.280 ( 0.967 9.505 1.321) 9.645 21.400 ( -1.770 -4.939 2.268) 5.716 21.400 ( -1.770 4.939 2.268) 5.716 22.416 ( -7.227 -3.125 0.023) 7.874 22.416 ( -7.227 3.125 0.023) 7.874 23.973 ( 11.564 -15.838 -7.384) 20.954 23.973 ( 11.564 15.838 -7.384) 20.954 ======================= Grid point 121 (48/150) ======================= q-point: ( 0.25 -0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.877 ( 10.255 -35.848 0.214) 37.287 3.877 ( 10.255 35.848 0.214) 37.287 4.613 ( 20.452 -40.942 5.893) 46.144 4.613 ( 20.452 40.942 5.893) 46.144 5.615 ( 2.044 -5.776 10.673) 12.307 5.615 ( 2.044 5.776 10.673) 12.307 6.609 ( 2.485 -8.358 3.163) 9.276 6.609 ( 2.485 8.358 3.163) 9.276 7.539 ( -2.020 -23.813 -6.138) 24.674 7.539 ( -2.020 23.813 -6.138) 24.674 8.029 ( -6.206 -5.127 -1.333) 8.160 8.029 ( -6.206 5.127 -1.333) 8.160 8.618 ( 2.456 -10.549 -0.446) 10.840 8.618 ( 2.456 10.549 -0.446) 10.840 9.073 ( 0.298 -9.529 1.076) 9.594 9.073 ( 0.298 9.529 1.076) 9.594 9.632 ( -3.619 -15.829 -4.310) 16.800 9.632 ( -3.619 15.829 -4.310) 16.800 10.088 ( 7.789 -2.253 0.378) 8.117 10.088 ( 7.789 2.253 0.378) 8.117 10.466 ( 1.907 -1.933 -11.576) 11.891 10.466 ( 1.907 1.933 -11.576) 11.891 10.794 ( -1.881 -12.498 3.002) 12.991 10.794 ( -1.881 12.498 3.002) 12.991 11.196 ( 1.986 -4.561 0.850) 5.046 11.196 ( 1.986 4.561 0.850) 5.046 11.578 ( -5.496 -8.836 0.862) 10.442 11.578 ( -5.496 8.836 0.862) 10.442 12.289 ( -3.037 -14.953 12.644) 19.816 12.289 ( -3.037 14.953 12.644) 19.816 12.854 ( -2.870 -8.864 4.738) 10.452 12.854 ( -2.870 8.864 4.738) 10.452 13.110 ( -9.388 -1.882 4.430) 10.550 13.110 ( -9.388 1.882 4.430) 10.550 13.797 ( 3.693 -5.814 1.159) 6.984 13.797 ( 3.693 5.814 1.159) 6.984 14.202 ( -3.484 -0.898 3.758) 5.202 14.202 ( -3.484 0.898 3.758) 5.202 15.265 ( 4.809 -2.866 1.666) 5.841 15.265 ( 4.809 2.866 1.666) 5.841 16.190 ( 5.262 -0.974 3.471) 6.378 16.190 ( 5.262 0.974 3.471) 6.378 16.775 ( 1.151 -7.449 -5.996) 9.632 16.775 ( 1.151 7.449 -5.996) 9.632 17.002 ( -4.696 -11.392 -6.945) 14.144 17.002 ( -4.696 11.392 -6.945) 14.144 17.568 ( -1.397 -12.772 -9.551) 16.009 17.568 ( -1.397 12.772 -9.551) 16.009 18.102 ( -1.388 -8.751 2.950) 9.339 18.102 ( -1.388 8.751 2.950) 9.339 18.559 ( -5.413 -3.004 -7.724) 9.899 18.559 ( -5.413 3.004 -7.724) 9.899 21.180 ( -7.836 -2.703 4.051) 9.227 21.180 ( -7.836 2.703 4.051) 9.227 21.497 ( 8.765 -3.779 -0.311) 9.550 21.497 ( 8.765 3.779 -0.311) 9.550 22.257 ( -8.257 -4.019 1.844) 9.367 22.257 ( -8.257 4.019 1.844) 9.367 24.222 ( 11.978 -12.173 -8.603) 19.123 24.222 ( 11.978 12.173 -8.603) 19.123 ======================= Grid point 123 (49/150) ======================= q-point: ( 0.38 -0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.030 ( 4.823 -21.015 7.767) 22.918 4.030 ( 4.823 21.015 7.767) 22.918 4.964 ( 13.726 -31.657 10.321) 36.015 4.964 ( 13.726 31.657 10.321) 36.015 5.768 ( 12.226 -1.113 1.214) 12.336 5.768 ( 12.226 1.113 1.214) 12.336 6.443 ( -16.549 -8.560 1.103) 18.664 6.443 ( -16.549 8.560 1.103) 18.664 7.652 ( 8.295 -15.960 -8.412) 19.857 7.652 ( 8.295 15.960 -8.412) 19.857 7.963 ( 1.642 -4.835 3.489) 6.184 7.963 ( 1.642 4.835 3.489) 6.184 8.637 ( -0.500 -5.540 -1.106) 5.672 8.637 ( -0.500 5.540 -1.106) 5.672 9.104 ( 2.443 -11.632 3.726) 12.456 9.104 ( 2.443 11.632 3.726) 12.456 9.513 ( -5.638 -18.856 -6.888) 20.851 9.513 ( -5.638 18.856 -6.888) 20.851 10.216 ( -3.855 -1.544 -5.461) 6.860 10.216 ( -3.855 1.544 -5.461) 6.860 10.322 ( -4.382 -10.480 -8.143) 13.976 10.322 ( -4.382 10.480 -8.143) 13.976 10.950 ( 11.773 -8.331 7.531) 16.270 10.950 ( 11.773 8.331 7.531) 16.270 11.244 ( 0.531 -3.635 -1.812) 4.096 11.244 ( 0.531 3.635 -1.812) 4.096 11.537 ( 5.225 -5.295 4.574) 8.732 11.537 ( 5.225 5.295 4.574) 8.732 12.151 ( -12.128 -8.539 6.580) 16.227 12.151 ( -12.128 8.539 6.580) 16.227 12.785 ( -2.490 -3.594 7.302) 8.511 12.785 ( -2.490 3.594 7.302) 8.511 12.983 ( -3.880 -0.860 2.670) 4.788 12.983 ( -3.880 0.860 2.670) 4.788 13.878 ( 4.691 -6.052 4.310) 8.787 13.878 ( 4.691 6.052 4.310) 8.787 14.105 ( -5.775 -4.895 5.538) 9.380 14.105 ( -5.775 4.895 5.538) 9.380 15.368 ( 4.453 -0.806 3.076) 5.472 15.368 ( 4.453 0.806 3.076) 5.472 16.283 ( 4.190 -4.090 -1.051) 5.949 16.283 ( 4.190 4.090 -1.051) 5.949 16.744 ( -4.143 -7.820 -4.188) 9.791 16.744 ( -4.143 7.820 -4.188) 9.791 16.990 ( 3.066 -7.524 -7.977) 11.386 16.990 ( 3.066 7.524 -7.977) 11.386 17.467 ( -6.989 -8.956 -5.549) 12.643 17.467 ( -6.989 8.956 -5.549) 12.643 18.149 ( 5.364 -5.828 -2.862) 8.422 18.149 ( 5.364 5.828 -2.862) 8.422 18.432 ( -7.101 -3.342 -6.628) 10.273 18.432 ( -7.101 3.342 -6.628) 10.273 21.042 ( -5.215 -1.155 4.033) 6.693 21.042 ( -5.215 1.155 4.033) 6.693 21.685 ( 9.322 -0.581 0.375) 9.348 21.685 ( 9.322 0.581 0.375) 9.348 22.095 ( -7.872 -3.833 2.277) 9.047 22.095 ( -7.872 3.833 2.277) 9.047 24.414 ( 6.776 -6.578 -9.093) 13.110 24.414 ( 6.776 6.578 -9.093) 13.110 ======================= Grid point 125 (50/150) ======================= q-point: (-0.50 -0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.075 ( -0.000 -0.000 12.658) 12.658 4.075 ( 0.000 0.000 12.658) 12.658 5.115 ( 0.000 -0.000 7.887) 7.887 5.115 ( 0.000 0.000 7.887) 7.887 6.027 ( -0.000 -0.000 -6.977) 6.977 6.027 ( 0.000 0.000 -6.977) 6.977 6.122 ( -0.000 0.000 8.401) 8.401 6.122 ( 0.000 0.000 8.401) 8.401 7.718 ( -0.000 -0.000 -11.094) 11.094 7.718 ( -0.000 0.000 -11.094) 11.094 8.041 ( -0.000 -0.000 6.486) 6.486 8.041 ( 0.000 0.000 6.486) 6.486 8.622 ( -0.000 -0.000 -3.027) 3.027 8.622 ( 0.000 0.000 -3.027) 3.027 9.132 ( 0.000 0.000 3.946) 3.946 9.132 ( 0.000 0.000 3.946) 3.946 9.465 ( -0.000 -0.000 -5.789) 5.789 9.465 ( 0.000 0.000 -5.789) 5.789 10.057 ( 0.000 0.000 -9.998) 9.998 10.057 ( 0.000 0.000 -9.998) 9.998 10.355 ( -0.000 0.000 -0.428) 0.428 10.355 ( 0.000 0.000 -0.428) 0.428 11.127 ( -0.000 -0.000 6.411) 6.411 11.127 ( 0.000 0.000 6.411) 6.411 11.172 ( 0.000 -0.000 -4.492) 4.492 11.172 ( 0.000 0.000 -4.492) 4.492 11.791 ( 0.000 0.000 5.285) 5.285 11.791 ( 0.000 0.000 5.285) 5.285 11.853 ( 0.000 0.000 6.041) 6.041 11.853 ( 0.000 0.000 6.041) 6.041 12.767 ( 0.000 0.000 7.002) 7.002 12.767 ( 0.000 0.000 7.002) 7.002 12.943 ( 0.000 -0.000 2.115) 2.115 12.943 ( 0.000 0.000 2.115) 2.115 13.972 ( -0.000 0.000 8.189) 8.189 13.972 ( 0.000 0.000 8.189) 8.189 13.999 ( -0.000 -0.000 3.502) 3.502 13.999 ( 0.000 -0.000 3.502) 3.502 15.415 ( 0.000 0.000 4.152) 4.152 15.415 ( 0.000 0.000 4.152) 4.152 16.337 ( -0.000 -0.000 -3.703) 3.703 16.337 ( -0.000 0.000 -3.703) 3.703 16.682 ( 0.000 -0.000 -4.665) 4.665 16.682 ( 0.000 0.000 -4.665) 4.665 17.042 ( 0.000 -0.000 -6.175) 6.175 17.042 ( 0.000 0.000 -6.175) 6.175 17.376 ( 0.000 -0.000 -4.679) 4.679 17.376 ( 0.000 0.000 -4.679) 4.679 18.272 ( 0.000 -0.000 -9.778) 9.778 18.272 ( 0.000 0.000 -9.778) 9.778 18.295 ( -0.000 -0.000 -1.258) 1.258 18.295 ( -0.000 0.000 -1.258) 1.258 20.989 ( 0.000 -0.000 4.023) 4.023 20.989 ( 0.000 0.000 4.023) 4.023 21.815 ( -0.000 -0.000 0.936) 0.936 21.815 ( 0.000 0.000 0.936) 0.936 21.981 ( -0.000 0.000 2.037) 2.037 21.981 ( 0.000 0.000 2.037) 2.037 24.482 ( 0.000 0.000 -9.184) 9.184 24.482 ( 0.000 0.000 -9.184) 9.184 ======================= Grid point 162 (51/150) ======================= q-point: ( 0.00 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 0.000 0.000 41.014) 41.014 2.189 ( 0.000 0.000 53.392) 53.392 3.153 ( 0.000 0.000 75.633) 75.633 5.267 ( 0.000 0.000 -0.023) 0.023 5.861 ( 0.000 0.000 3.093) 3.093 6.498 ( 0.000 0.000 -14.721) 14.721 6.699 ( 0.000 0.000 -19.279) 19.279 6.907 ( 0.000 0.000 -6.069) 6.069 7.488 ( 0.000 0.000 6.782) 6.782 7.589 ( 0.000 0.000 -22.559) 22.559 7.864 ( 0.000 0.000 2.988) 2.988 7.898 ( 0.000 0.000 7.789) 7.789 8.188 ( 0.000 0.000 -22.719) 22.719 8.557 ( 0.000 0.000 -17.390) 17.390 8.694 ( 0.000 0.000 -22.568) 22.568 8.717 ( 0.000 0.000 8.350) 8.350 9.482 ( 0.000 0.000 -16.661) 16.661 9.806 ( 0.000 0.000 6.702) 6.702 9.893 ( 0.000 0.000 13.202) 13.202 10.230 ( 0.000 0.000 15.811) 15.811 10.250 ( 0.000 0.000 -11.195) 11.195 10.376 ( 0.000 0.000 10.511) 10.511 10.637 ( 0.000 0.000 -19.657) 19.657 11.124 ( 0.000 0.000 0.737) 0.737 11.240 ( 0.000 0.000 0.260) 0.260 11.525 ( 0.000 0.000 19.506) 19.506 11.839 ( 0.000 0.000 31.225) 31.225 11.930 ( 0.000 0.000 -10.387) 10.387 12.455 ( 0.000 0.000 19.885) 19.885 13.165 ( 0.000 0.000 7.752) 7.752 13.174 ( 0.000 0.000 -5.363) 5.363 13.531 ( 0.000 0.000 -4.739) 4.739 13.540 ( 0.000 0.000 -0.680) 0.680 13.744 ( 0.000 0.000 -2.760) 2.760 13.926 ( 0.000 0.000 9.016) 9.016 13.937 ( 0.000 0.000 10.321) 10.321 14.073 ( 0.000 0.000 7.338) 7.338 14.173 ( 0.000 0.000 1.431) 1.431 14.498 ( 0.000 0.000 -7.624) 7.624 14.697 ( 0.000 0.000 2.549) 2.549 15.102 ( 0.000 0.000 0.051) 0.051 15.197 ( 0.000 0.000 9.614) 9.614 16.072 ( 0.000 0.000 5.288) 5.288 16.188 ( 0.000 0.000 5.089) 5.089 16.978 ( 0.000 0.000 -13.962) 13.962 17.213 ( 0.000 0.000 3.072) 3.072 17.339 ( 0.000 0.000 -6.697) 6.697 17.642 ( 0.000 0.000 -22.925) 22.925 18.367 ( 0.000 0.000 -11.923) 11.923 18.397 ( 0.000 0.000 -21.213) 21.213 19.162 ( 0.000 0.000 6.468) 6.468 19.247 ( 0.000 0.000 -8.125) 8.125 20.232 ( 0.000 0.000 3.733) 3.733 21.352 ( 0.000 0.000 -4.928) 4.928 21.804 ( 0.000 0.000 -5.246) 5.246 22.306 ( 0.000 0.000 -1.912) 1.912 22.325 ( 0.000 0.000 -5.460) 5.460 22.329 ( 0.000 0.000 17.933) 17.933 22.686 ( 0.000 0.000 0.322) 0.322 24.716 ( 0.000 0.000 -9.582) 9.582 ======================= Grid point 163 (52/150) ======================= q-point: ( 0.12 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( 27.491 0.000 37.939) 46.852 2.295 ( 10.569 0.000 48.060) 49.209 3.462 ( 32.661 0.000 64.096) 71.937 5.100 ( -14.759 0.000 1.299) 14.816 6.067 ( 18.101 0.000 2.066) 18.218 6.300 ( -30.525 0.000 -16.712) 34.801 6.516 ( 1.884 0.000 -14.461) 14.584 7.142 ( 17.563 0.000 -4.680) 18.176 7.475 ( -1.306 0.000 6.945) 7.066 7.702 ( 7.332 0.000 -20.271) 21.556 7.781 ( -7.983 0.000 -3.034) 8.540 7.919 ( 1.672 0.000 3.208) 3.617 8.264 ( 6.042 0.000 -26.426) 27.108 8.277 ( -13.398 0.000 -3.801) 13.926 8.735 ( 1.837 0.000 9.158) 9.340 9.068 ( 22.861 0.000 -23.298) 32.641 9.605 ( 11.024 0.000 -16.147) 19.552 9.828 ( 2.354 0.000 9.204) 9.501 9.876 ( -0.643 0.000 9.430) 9.452 10.042 ( -15.975 0.000 19.234) 25.003 10.261 ( 0.822 0.000 -9.543) 9.578 10.482 ( 8.383 0.000 6.183) 10.417 10.649 ( 0.285 0.000 -17.955) 17.958 11.078 ( -4.171 0.000 3.272) 5.302 11.204 ( -1.315 0.000 -0.630) 1.458 11.673 ( 11.531 0.000 17.391) 20.867 11.796 ( -9.107 0.000 1.390) 9.213 11.850 ( -0.599 0.000 18.295) 18.304 12.306 ( -12.280 0.000 13.674) 18.379 12.886 ( -13.405 0.000 17.847) 22.321 13.064 ( -9.289 0.000 -6.681) 11.442 13.601 ( 3.976 0.000 0.298) 3.987 13.629 ( 3.512 0.000 -0.573) 3.559 13.798 ( -3.714 0.000 7.807) 8.646 13.908 ( -1.188 0.000 8.674) 8.755 14.079 ( -0.761 0.000 6.528) 6.573 14.092 ( 6.469 0.000 -5.599) 8.555 14.270 ( 11.131 0.000 -8.396) 13.942 14.399 ( -7.908 0.000 -3.680) 8.722 14.711 ( 0.784 0.000 3.423) 3.511 15.198 ( 10.922 0.000 5.202) 12.097 15.328 ( 13.279 0.000 0.816) 13.304 16.105 ( 3.346 0.000 3.711) 4.996 16.203 ( 1.181 0.000 5.097) 5.232 16.913 ( -5.294 0.000 -12.593) 13.661 17.187 ( -2.645 0.000 2.072) 3.359 17.433 ( 8.065 0.000 -8.208) 11.507 17.624 ( -1.693 0.000 -21.018) 21.086 18.340 ( -2.726 0.000 -11.918) 12.226 18.387 ( -1.188 0.000 -21.396) 21.429 18.702 ( -24.000 0.000 8.713) 25.533 19.274 ( -14.766 0.000 -4.819) 15.533 20.447 ( 20.283 0.000 1.752) 20.358 21.356 ( 0.482 0.000 -3.342) 3.377 21.822 ( 1.744 0.000 -5.145) 5.432 22.152 ( -13.026 0.000 0.597) 13.040 22.284 ( -2.168 0.000 -2.059) 2.990 22.303 ( -5.277 0.000 16.366) 17.196 22.901 ( 19.375 0.000 -3.221) 19.641 24.686 ( -3.047 0.000 -10.965) 11.381 ======================= Grid point 164 (53/150) ======================= q-point: ( 0.25 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.605 ( 20.289 0.000 35.956) 41.285 2.618 ( 28.498 0.000 33.159) 43.722 4.395 ( 55.110 0.000 42.559) 69.630 4.724 ( -22.529 0.000 3.556) 22.808 5.624 ( -34.516 0.000 -9.498) 35.799 6.482 ( 18.688 0.000 -6.925) 19.930 6.597 ( 9.513 0.000 -6.276) 11.396 7.409 ( -6.946 0.000 -2.269) 7.307 7.523 ( 18.114 0.000 -2.087) 18.234 7.616 ( -5.213 0.000 -6.076) 8.006 7.801 ( 1.730 0.000 -14.722) 14.823 7.935 ( -1.093 0.000 1.896) 2.189 8.076 ( -7.236 0.000 12.676) 14.596 8.329 ( -1.419 0.000 -27.624) 27.661 8.788 ( 3.440 0.000 10.454) 11.005 9.528 ( 20.786 0.000 -12.700) 24.359 9.674 ( -17.413 0.000 13.860) 22.256 9.769 ( 2.858 0.000 1.152) 3.081 9.918 ( 5.552 0.000 2.336) 6.024 9.969 ( 11.144 0.000 -0.793) 11.172 10.291 ( 3.918 0.000 -10.407) 11.120 10.591 ( -6.490 0.000 -11.193) 12.939 10.638 ( 4.777 0.000 -0.118) 4.778 11.011 ( -1.460 0.000 1.156) 1.863 11.250 ( 7.599 0.000 -1.129) 7.683 11.614 ( -6.765 0.000 1.132) 6.859 11.853 ( -1.448 0.000 2.417) 2.818 11.900 ( 10.217 0.000 12.951) 16.496 12.089 ( -7.178 0.000 14.236) 15.943 12.660 ( -10.895 0.000 20.299) 23.038 12.859 ( -10.246 0.000 -8.037) 13.022 13.568 ( -6.207 0.000 8.626) 10.627 13.580 ( -9.684 0.000 -4.908) 10.856 13.829 ( 5.008 0.000 0.271) 5.015 13.899 ( 0.561 0.000 9.511) 9.527 14.022 ( -2.537 0.000 5.687) 6.227 14.103 ( -2.638 0.000 -1.039) 2.835 14.299 ( -0.636 0.000 7.698) 7.724 14.361 ( -2.539 0.000 -7.377) 7.801 14.707 ( -1.584 0.000 6.999) 7.176 15.437 ( 11.816 0.000 3.884) 12.438 15.739 ( 23.641 0.000 -4.682) 24.100 16.203 ( 6.370 0.000 -0.331) 6.379 16.222 ( 0.900 0.000 3.127) 3.254 16.797 ( -6.222 0.000 -11.250) 12.856 17.107 ( -5.382 0.000 -1.809) 5.678 17.584 ( -1.846 0.000 -11.599) 11.745 17.616 ( 9.719 0.000 -9.727) 13.750 18.261 ( -5.131 0.000 -11.871) 12.933 18.308 ( -8.361 0.000 -7.072) 10.951 18.382 ( -5.933 0.000 -12.947) 14.242 18.822 ( -26.197 0.000 1.954) 26.270 20.881 ( 20.678 0.000 -0.916) 20.698 21.373 ( 1.148 0.000 1.337) 1.762 21.872 ( 3.242 0.000 -4.841) 5.826 21.878 ( -12.833 0.000 3.355) 13.265 22.152 ( -9.345 0.000 16.294) 18.784 22.223 ( -3.828 0.000 -2.470) 4.556 23.347 ( 23.446 0.000 -7.439) 24.598 24.592 ( -6.523 0.000 -12.262) 13.890 ======================= Grid point 165 (54/150) ======================= q-point: ( 0.38 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.082 ( 26.869 0.000 23.526) 35.713 3.239 ( 34.182 0.000 20.896) 40.063 4.220 ( -27.577 0.000 7.403) 28.553 4.724 ( -34.253 0.000 -0.491) 34.257 5.733 ( 55.373 0.000 30.729) 63.328 6.666 ( 7.393 0.000 -17.676) 19.160 6.921 ( 8.359 0.000 -2.094) 8.618 7.284 ( 2.474 0.000 -11.430) 11.695 7.570 ( -21.957 0.000 15.801) 27.051 7.595 ( 0.744 0.000 5.541) 5.590 7.862 ( -4.971 0.000 4.716) 6.852 7.884 ( 11.099 0.000 -21.038) 23.786 7.957 ( -6.188 0.000 15.266) 16.473 8.228 ( -6.561 0.000 -23.951) 24.833 8.873 ( 5.360 0.000 13.017) 14.078 9.284 ( -16.713 0.000 20.935) 26.788 9.836 ( 5.231 0.000 5.888) 7.876 9.991 ( 21.162 0.000 -15.411) 26.179 10.035 ( 0.644 0.000 12.295) 12.312 10.089 ( 6.292 0.000 -10.374) 12.133 10.385 ( -4.056 0.000 -26.598) 26.906 10.576 ( 13.138 0.000 -6.374) 14.603 10.607 ( -7.628 0.000 -5.599) 9.462 10.975 ( -3.660 0.000 -3.912) 5.358 11.523 ( 18.158 0.000 -1.482) 18.219 11.564 ( 1.196 0.000 1.589) 1.988 11.742 ( -7.774 0.000 -0.909) 7.827 12.031 ( 0.870 0.000 6.095) 6.157 12.053 ( 2.152 0.000 10.743) 10.956 12.426 ( -12.704 0.000 17.753) 21.830 12.713 ( -2.110 0.000 -7.620) 7.907 13.233 ( -21.408 0.000 -8.141) 22.904 13.526 ( 3.638 0.000 9.995) 10.636 13.893 ( -2.340 0.000 -5.749) 6.207 13.930 ( 2.316 0.000 10.187) 10.447 14.010 ( -0.439 0.000 8.659) 8.670 14.029 ( -1.357 0.000 6.655) 6.792 14.248 ( -7.206 0.000 -3.110) 7.849 14.359 ( 6.004 0.000 12.745) 14.089 14.639 ( -5.313 0.000 11.231) 12.424 15.671 ( 11.657 0.000 4.042) 12.338 16.018 ( -0.293 0.000 7.893) 7.899 16.350 ( 8.104 0.000 -4.781) 9.409 16.356 ( 16.133 0.000 -9.201) 18.572 16.665 ( -7.074 0.000 -9.980) 12.233 16.962 ( -9.818 0.000 -6.325) 11.679 17.600 ( 5.208 0.000 0.125) 5.209 17.808 ( 9.344 0.000 -10.696) 14.203 18.139 ( -7.010 0.000 -11.704) 13.642 18.191 ( -11.715 0.000 -11.869) 16.677 18.239 ( -6.027 0.000 -8.604) 10.505 18.392 ( -10.903 0.000 -6.830) 12.866 21.219 ( 12.378 0.000 1.082) 12.425 21.399 ( 1.045 0.000 8.658) 8.720 21.692 ( -4.299 0.000 2.493) 4.970 21.948 ( 4.311 0.000 -4.352) 6.126 21.950 ( -10.583 0.000 11.220) 15.424 22.136 ( -4.716 0.000 -3.064) 5.624 23.791 ( 20.592 0.000 -9.586) 22.714 24.420 ( -10.858 0.000 -12.017) 16.196 ======================= Grid point 166 (55/150) ======================= q-point: (-0.50 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.648 ( -29.232 0.000 13.879) 32.359 3.648 ( 29.232 0.000 13.879) 32.359 3.968 ( -38.374 0.000 8.062) 39.212 3.968 ( 38.374 0.000 8.062) 39.212 6.824 ( -49.329 0.000 24.989) 55.298 6.824 ( 49.329 0.000 24.989) 55.298 6.835 ( -9.108 0.000 -15.660) 18.116 6.835 ( 9.108 0.000 -15.660) 18.116 7.518 ( -11.232 0.000 -1.440) 11.324 7.518 ( 11.232 0.000 -1.440) 11.324 7.832 ( -3.969 0.000 14.524) 15.057 7.832 ( 3.969 0.000 14.524) 15.057 8.084 ( -8.500 0.000 -21.408) 23.034 8.084 ( 8.500 0.000 -21.408) 23.034 9.019 ( -9.855 0.000 16.922) 19.583 9.019 ( 9.855 0.000 16.922) 19.583 9.959 ( -5.927 0.000 9.964) 11.593 9.959 ( 5.927 0.000 9.964) 11.593 10.254 ( -7.958 0.000 -18.160) 19.827 10.254 ( 7.958 0.000 -18.160) 19.827 10.366 ( -15.988 0.000 -9.770) 18.736 10.366 ( 15.988 0.000 -9.770) 18.736 10.842 ( -10.249 0.000 -11.417) 15.342 10.842 ( 10.249 0.000 -11.417) 15.342 11.616 ( -4.156 0.000 3.014) 5.134 11.616 ( 4.156 0.000 3.014) 5.134 11.879 ( -15.045 0.000 -0.709) 15.062 11.879 ( 15.045 0.000 -0.709) 15.062 12.179 ( -10.653 0.000 12.341) 16.303 12.179 ( 10.653 0.000 12.341) 16.303 12.847 ( -14.993 0.000 -6.464) 16.327 12.847 ( 14.993 0.000 -6.464) 16.327 13.703 ( -12.195 0.000 4.903) 13.143 13.703 ( 12.195 0.000 4.903) 13.143 13.980 ( -2.331 0.000 9.604) 9.883 13.980 ( 2.331 0.000 9.604) 9.883 14.108 ( -6.455 0.000 0.088) 6.456 14.108 ( 6.455 0.000 0.088) 6.456 14.504 ( -7.722 0.000 13.555) 15.600 14.504 ( 7.722 0.000 13.555) 15.600 15.890 ( -9.772 0.000 6.370) 11.665 15.890 ( 9.772 0.000 6.370) 11.665 16.514 ( -8.054 0.000 -8.020) 11.366 16.514 ( 8.054 0.000 -8.020) 11.366 16.702 ( -16.066 0.000 -8.105) 17.995 16.702 ( 16.066 0.000 -8.105) 17.995 17.822 ( -16.639 0.000 2.208) 16.785 17.822 ( 16.639 0.000 2.208) 16.785 17.985 ( -8.371 0.000 -11.332) 14.088 17.985 ( 8.371 0.000 -11.332) 14.088 18.273 ( -4.120 0.000 -16.011) 16.533 18.273 ( 4.120 0.000 -16.011) 16.533 21.372 ( -4.093 0.000 7.575) 8.610 21.372 ( 4.093 0.000 7.575) 8.610 21.750 ( -8.521 0.000 4.733) 9.747 21.750 ( 8.521 0.000 4.733) 9.747 22.040 ( -4.838 0.000 -3.729) 6.108 22.040 ( 4.838 0.000 -3.729) 6.108 24.155 ( -15.821 0.000 -10.976) 19.255 24.155 ( 15.821 0.000 -10.976) 19.255 ======================= Grid point 171 (56/150) ======================= q-point: ( 0.00 0.12 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( 0.000 16.606 35.368) 39.073 2.108 ( 0.000 1.373 51.367) 51.385 3.681 ( 0.000 43.839 64.061) 77.625 5.323 ( 0.000 4.056 -2.198) 4.613 5.607 ( 0.000 -23.106 2.082) 23.199 6.416 ( 0.000 -7.309 -10.858) 13.089 6.828 ( 0.000 11.253 -21.215) 24.015 6.940 ( 0.000 -3.006 -4.926) 5.771 7.336 ( 0.000 -15.075 5.110) 15.917 7.525 ( 0.000 -0.601 -19.444) 19.453 7.929 ( 0.000 4.063 10.909) 11.641 8.027 ( 0.000 -8.949 -22.545) 24.257 8.143 ( 0.000 21.620 -1.920) 21.705 8.649 ( 0.000 -4.941 -12.731) 13.656 8.664 ( 0.000 9.174 -15.362) 17.893 8.850 ( 0.000 8.387 -4.089) 9.330 9.458 ( 0.000 -2.264 -16.950) 17.100 9.812 ( 0.000 -1.664 11.889) 12.004 9.859 ( 0.000 -0.556 6.088) 6.114 10.212 ( 0.000 -2.061 16.984) 17.108 10.304 ( 0.000 5.443 -9.516) 10.963 10.467 ( 0.000 7.426 8.121) 11.004 10.637 ( 0.000 0.315 -21.653) 21.655 11.017 ( 0.000 -9.452 3.195) 9.978 11.266 ( 0.000 1.576 -0.025) 1.576 11.432 ( 0.000 -6.720 17.619) 18.858 11.778 ( 0.000 -14.157 -5.199) 15.081 11.994 ( 0.000 12.697 29.345) 31.974 12.378 ( 0.000 -6.181 15.383) 16.578 12.992 ( 0.000 -10.286 14.694) 17.936 13.156 ( 0.000 -2.074 -5.242) 5.638 13.540 ( 0.000 -0.578 -3.687) 3.732 13.550 ( 0.000 -1.472 -0.059) 1.473 13.641 ( 0.000 -8.292 8.497) 11.872 13.804 ( 0.000 -1.755 2.543) 3.090 13.848 ( 0.000 -5.131 9.523) 10.818 14.382 ( 0.000 -13.469 1.076) 13.512 14.482 ( 0.000 5.441 -6.996) 8.862 14.507 ( 0.000 15.130 -1.852) 15.243 14.617 ( 0.000 31.150 -3.411) 31.336 15.115 ( 0.000 1.784 0.985) 2.038 15.496 ( 0.000 21.112 5.726) 21.874 16.149 ( 0.000 7.802 4.785) 9.153 16.280 ( 0.000 8.992 3.778) 9.753 16.916 ( 0.000 -4.799 -12.371) 13.269 17.245 ( 0.000 -8.804 -3.602) 9.513 17.271 ( 0.000 3.858 -3.702) 5.347 17.649 ( 0.000 1.524 -18.727) 18.789 18.347 ( 0.000 -2.492 -11.692) 11.955 18.371 ( 0.000 -2.722 -20.331) 20.512 19.040 ( 0.000 -18.291 -2.878) 18.516 19.103 ( 0.000 -6.064 6.264) 8.718 20.309 ( 0.000 8.940 2.406) 9.258 21.349 ( 0.000 -0.278 -4.572) 4.580 21.802 ( 0.000 -2.281 -4.210) 4.788 22.206 ( 0.000 -7.268 13.349) 15.200 22.332 ( 0.000 0.714 -5.230) 5.279 22.527 ( 0.000 16.542 -1.167) 16.584 22.666 ( 0.000 -2.008 0.109) 2.011 24.574 ( 0.000 -12.590 -7.717) 14.767 ======================= Grid point 172 (57/150) ======================= q-point: ( 0.12 0.12 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( 18.386 11.374 37.450) 43.243 2.323 ( 26.251 8.453 39.807) 48.427 3.890 ( 22.606 37.557 56.941) 71.860 5.162 ( -14.616 4.789 -0.736) 15.398 5.775 ( 13.438 -23.798 0.124) 27.330 6.340 ( -10.870 0.232 -8.754) 13.959 6.618 ( -8.583 9.087 -17.529) 21.529 7.142 ( 12.579 -6.405 -3.941) 14.656 7.343 ( 1.077 -14.864 5.158) 15.771 7.558 ( 2.328 -4.563 -16.935) 17.693 7.863 ( -4.005 8.018 -4.643) 10.093 8.040 ( -1.834 -2.879 -9.312) 9.918 8.136 ( -0.454 11.694 0.264) 11.705 8.438 ( -4.707 4.465 -14.452) 15.841 8.790 ( -0.856 5.199 -0.208) 5.273 9.105 ( 22.750 2.180 -18.141) 29.179 9.542 ( 5.364 -5.748 -11.277) 13.748 9.784 ( -0.959 -4.659 11.021) 12.004 9.885 ( 2.949 2.615 2.752) 4.807 10.112 ( -8.882 4.309 16.642) 19.350 10.327 ( 1.810 6.991 -7.571) 10.463 10.518 ( 4.430 2.154 6.642) 8.269 10.634 ( -0.861 -0.913 -19.473) 19.513 10.975 ( -2.715 -7.714 3.158) 8.767 11.263 ( 0.392 3.604 -0.094) 3.627 11.536 ( 6.978 -10.101 14.634) 19.102 11.686 ( -6.019 -11.304 0.335) 12.811 11.966 ( -3.508 8.341 21.392) 23.227 12.269 ( -7.815 -1.861 11.713) 14.203 12.847 ( -9.188 -3.385 17.414) 19.978 13.101 ( -7.417 2.352 -4.993) 9.245 13.466 ( -1.185 -9.296 -0.034) 9.371 13.631 ( -3.158 -5.361 6.650) 9.107 13.696 ( 3.419 -7.110 9.369) 12.248 13.787 ( 2.681 -0.423 1.632) 3.167 13.933 ( 5.736 -7.771 4.354) 10.594 14.282 ( -9.610 -5.360 -1.948) 11.174 14.407 ( -5.838 2.695 -3.663) 7.400 14.533 ( 2.825 20.491 -2.314) 20.813 14.743 ( 9.537 13.691 -2.542) 16.878 15.337 ( 20.089 7.874 -3.539) 21.865 15.510 ( 1.489 18.690 5.504) 19.540 16.173 ( 2.463 6.970 3.356) 8.118 16.275 ( -0.600 6.873 3.490) 7.732 16.873 ( -3.685 -3.053 -11.740) 12.678 17.216 ( -2.515 0.321 -1.411) 2.902 17.344 ( 5.505 -6.750 -6.589) 10.922 17.639 ( -0.489 1.780 -17.890) 17.985 18.312 ( -3.558 -2.601 -11.156) 11.995 18.361 ( -1.072 -3.359 -20.635) 20.934 18.688 ( -19.228 -2.384 5.487) 20.137 19.098 ( -12.122 -14.678 -0.613) 19.046 20.515 ( 18.181 6.904 0.379) 19.451 21.357 ( 0.846 0.142 -2.973) 3.094 21.787 ( -0.900 -3.996 -2.594) 4.848 22.069 ( -10.870 -6.815 5.385) 13.914 22.275 ( -6.118 0.622 5.083) 7.978 22.431 ( -5.275 7.861 2.778) 9.865 22.944 ( 21.006 5.400 -5.431) 22.359 24.577 ( -0.346 -10.021 -10.324) 14.392 ======================= Grid point 173 (58/150) ======================= q-point: ( 0.25 0.12 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.612 ( 26.739 8.871 29.933) 41.105 2.889 ( 26.302 18.951 32.425) 45.851 4.606 ( 45.556 20.828 39.162) 63.583 4.787 ( -21.773 5.028 2.245) 22.458 5.681 ( -26.633 4.295 -6.506) 27.750 6.362 ( 20.607 -11.024 0.997) 23.392 6.607 ( 4.583 1.519 -13.346) 14.192 7.194 ( -6.934 -15.557 -4.181) 17.538 7.473 ( 8.127 -14.661 6.263) 17.895 7.587 ( -0.083 -7.784 -11.385) 13.792 7.848 ( 2.879 15.666 -5.909) 16.989 7.981 ( -2.013 2.666 -4.923) 5.950 8.114 ( -1.753 7.803 3.426) 8.700 8.383 ( -4.208 1.611 -16.828) 17.420 8.786 ( 1.142 0.905 3.943) 4.203 9.484 ( -3.546 -11.511 -2.788) 12.363 9.581 ( 15.978 3.225 -7.359) 17.885 9.880 ( 7.480 -6.241 4.030) 10.542 9.924 ( -4.274 7.189 11.274) 14.038 10.001 ( 6.064 6.142 -4.148) 9.576 10.380 ( 4.618 8.835 -5.835) 11.551 10.533 ( -6.483 -6.608 -2.837) 9.683 10.609 ( 0.151 -1.603 -9.474) 9.610 10.956 ( 0.336 -4.294 -0.567) 4.345 11.306 ( 4.421 2.809 1.524) 5.455 11.539 ( 0.130 -5.934 2.484) 6.434 11.756 ( 8.163 -10.742 11.699) 17.858 11.849 ( -7.357 -1.981 0.742) 7.655 12.167 ( -2.340 6.002 14.505) 15.871 12.660 ( -10.181 0.520 18.431) 21.062 12.923 ( -9.153 4.903 -5.527) 11.763 13.428 ( -3.692 -12.577 -0.784) 13.131 13.499 ( -7.252 -6.356 9.217) 13.340 13.690 ( -5.725 -9.573 7.056) 13.199 13.852 ( 0.436 -2.454 1.474) 2.896 14.018 ( 2.557 -6.180 7.138) 9.782 14.093 ( -4.466 1.424 2.517) 5.321 14.293 ( -5.433 -0.012 2.185) 5.856 14.613 ( 4.855 24.643 -0.645) 25.125 14.905 ( 5.608 12.840 -1.630) 14.106 15.559 ( 3.904 11.443 5.272) 13.190 15.784 ( 20.960 5.081 -3.110) 21.790 16.237 ( 2.122 3.555 -0.221) 4.146 16.272 ( 2.957 4.495 -0.354) 5.392 16.789 ( -4.632 -0.112 -10.717) 11.676 17.137 ( -5.436 2.398 -3.281) 6.787 17.433 ( 2.682 -10.355 -4.885) 11.760 17.674 ( 5.003 2.084 -14.694) 15.661 18.212 ( -5.736 -2.897 -10.304) 12.143 18.318 ( -3.854 -4.788 -20.557) 21.456 18.398 ( -9.696 3.699 -1.184) 10.445 18.720 ( -22.191 -8.757 1.935) 23.935 20.902 ( 18.336 2.176 -1.356) 18.515 21.378 ( 1.017 0.532 2.030) 2.332 21.777 ( -1.190 -6.356 2.189) 6.827 21.850 ( -8.451 -4.874 0.505) 9.769 22.135 ( -7.085 0.644 8.548) 11.121 22.318 ( -6.201 5.759 2.202) 8.744 23.396 ( 22.935 5.057 -8.875) 25.107 24.536 ( -4.124 -5.416 -12.807) 14.504 ======================= Grid point 174 (59/150) ======================= q-point: ( 0.38 0.12 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.205 ( 30.415 12.277 21.171) 39.038 3.419 ( 29.677 17.312 21.549) 40.556 4.299 ( -25.837 7.321 7.825) 27.971 4.866 ( -33.631 14.089 0.381) 36.465 5.771 ( 47.732 3.719 26.128) 54.542 6.725 ( 11.753 4.498 -15.525) 19.985 6.841 ( 14.270 -9.379 1.082) 17.111 7.009 ( -4.922 -18.497 -1.070) 19.171 7.512 ( -9.578 -6.505 -6.946) 13.502 7.536 ( -2.657 -13.516 4.730) 14.565 7.835 ( -3.059 2.980 8.571) 9.576 7.976 ( -7.368 12.405 4.715) 15.179 8.082 ( 3.159 8.798 -8.591) 12.696 8.259 ( -5.328 0.445 -16.394) 17.244 8.851 ( 5.657 -0.617 9.962) 11.472 9.274 ( -13.365 -2.062 13.975) 19.447 9.808 ( 5.816 -1.487 -0.567) 6.030 9.940 ( 2.718 -2.566 -0.845) 3.833 10.064 ( 11.860 -1.190 -6.303) 13.483 10.126 ( 4.753 2.081 -3.399) 6.203 10.398 ( -4.426 -2.650 -13.994) 14.914 10.552 ( -2.835 -0.542 -13.981) 14.276 10.564 ( 9.155 -1.000 -2.040) 9.433 10.905 ( -5.345 -5.587 -5.101) 9.263 11.446 ( 8.009 -3.722 4.166) 9.765 11.685 ( 13.025 6.213 2.420) 14.633 11.696 ( -7.572 -3.096 -4.035) 9.122 11.902 ( 7.297 -9.366 8.369) 14.526 12.133 ( -2.728 4.129 9.741) 10.925 12.429 ( -13.113 1.168 16.454) 21.072 12.788 ( -2.560 6.348 -5.568) 8.823 13.232 ( -17.091 -1.350 -5.588) 18.032 13.413 ( -0.629 -9.935 7.966) 12.750 13.529 ( -4.951 -20.865 2.371) 21.575 13.873 ( 2.270 -4.398 9.943) 11.107 14.013 ( -2.639 -3.531 8.983) 10.006 14.103 ( 1.810 2.828 8.386) 9.033 14.192 ( -4.418 2.022 6.401) 8.036 14.725 ( 6.467 27.973 1.855) 28.770 14.944 ( -1.650 22.243 1.070) 22.330 15.674 ( 7.635 0.561 5.292) 9.307 15.983 ( -2.589 -3.067 7.886) 8.849 16.353 ( 10.202 1.771 -6.604) 12.281 16.427 ( 12.857 5.066 -8.379) 16.160 16.682 ( -6.222 2.004 -9.258) 11.334 16.989 ( -9.884 2.491 -6.610) 12.148 17.508 ( 7.012 -8.085 0.780) 10.731 17.818 ( 8.353 0.311 -13.347) 15.748 18.099 ( -10.617 -5.680 -8.471) 14.722 18.129 ( -12.536 -4.848 -11.889) 17.945 18.274 ( -2.810 3.432 -8.097) 9.232 18.383 ( -8.447 -0.842 -8.961) 12.343 21.194 ( 10.422 -2.427 1.365) 10.788 21.383 ( -0.999 -1.616 8.893) 9.094 21.695 ( -1.815 0.293 1.721) 2.518 21.808 ( -1.164 -6.892 2.803) 7.531 22.027 ( -2.391 1.996 2.946) 4.288 22.188 ( -6.702 3.847 -0.214) 7.731 23.825 ( 19.669 3.367 -10.651) 22.620 24.405 ( -9.191 -1.618 -12.896) 15.919 ======================= Grid point 175 (60/150) ======================= q-point: (-0.50 0.12 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.768 ( -26.577 11.389 15.333) 32.728 3.768 ( 26.577 11.389 15.333) 32.728 4.116 ( -37.903 14.710 7.560) 41.355 4.116 ( 37.903 14.710 7.560) 41.355 6.592 ( -27.382 -11.847 8.177) 30.935 6.592 ( 27.382 -11.847 8.177) 30.935 7.060 ( -21.881 10.368 -1.365) 24.251 7.060 ( 21.881 10.368 -1.365) 24.251 7.355 ( -13.390 -16.020 -2.747) 21.059 7.355 ( 13.390 -16.020 -2.747) 21.059 7.829 ( -3.273 4.689 10.872) 12.284 7.829 ( 3.273 4.689 10.872) 12.284 8.175 ( -4.425 4.213 -13.912) 15.195 8.175 ( 4.425 4.213 -13.912) 15.195 9.017 ( -11.093 0.661 14.414) 18.201 9.017 ( 11.093 0.661 14.414) 18.201 9.922 ( -4.288 -3.076 2.901) 6.022 9.922 ( 4.288 -3.076 2.901) 6.022 10.201 ( -1.708 -4.537 -17.234) 17.903 10.201 ( 1.708 -4.537 -17.234) 17.903 10.405 ( -6.775 -0.139 -3.770) 7.755 10.405 ( 6.775 -0.139 -3.770) 7.755 10.778 ( -8.105 -3.168 -10.869) 13.923 10.778 ( 8.105 -3.168 -10.869) 13.923 11.566 ( -5.218 -3.952 1.067) 6.632 11.566 ( 5.218 -3.952 1.067) 6.632 11.954 ( -10.838 5.234 3.734) 12.602 11.954 ( 10.838 5.234 3.734) 12.602 12.152 ( -13.014 -1.966 12.037) 17.836 12.152 ( 13.014 -1.966 12.037) 17.836 12.893 ( -13.216 3.940 -5.679) 14.914 12.893 ( 13.216 3.940 -5.679) 14.914 13.458 ( -3.541 -19.019 4.383) 19.836 13.458 ( 3.541 -19.019 4.383) 19.836 13.937 ( -4.106 -2.140 10.461) 11.439 13.937 ( 4.106 -2.140 10.461) 11.439 14.132 ( -1.698 2.888 9.303) 9.888 14.132 ( 1.698 2.888 9.303) 9.888 14.858 ( -6.234 27.505 2.729) 28.334 14.858 ( 6.234 27.505 2.729) 28.334 15.845 ( -8.841 -4.362 6.311) 11.705 15.845 ( 8.841 -4.362 6.311) 11.705 16.530 ( -7.918 1.691 -7.740) 11.201 16.530 ( 7.918 1.691 -7.740) 11.201 16.739 ( -14.757 3.510 -8.089) 17.191 16.739 ( 14.757 3.510 -8.089) 17.191 17.745 ( -16.399 -7.237 1.624) 17.998 17.745 ( 16.399 -7.237 1.624) 17.998 17.982 ( -7.799 -0.553 -13.532) 15.628 17.982 ( 7.799 -0.553 -13.532) 15.628 18.284 ( -3.005 0.880 -13.616) 13.971 18.284 ( 3.005 0.880 -13.616) 13.971 21.330 ( -4.257 -4.101 7.493) 9.544 21.330 ( 4.257 -4.101 7.493) 9.544 21.739 ( -4.577 -0.368 3.160) 5.574 21.739 ( 4.577 -0.368 3.160) 5.574 22.065 ( -5.099 1.751 -1.347) 5.557 22.065 ( 5.099 1.751 -1.347) 5.557 24.168 ( -14.612 1.195 -11.931) 18.902 24.168 ( 14.612 1.195 -11.931) 18.902 ======================= Grid point 180 (61/150) ======================= q-point: ( 0.00 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( 0.000 27.856 24.190) 36.893 2.400 ( 0.000 27.607 30.847) 41.396 4.599 ( 0.000 43.241 44.650) 62.156 5.049 ( 0.000 -32.640 1.791) 32.689 5.316 ( 0.000 -4.958 -1.020) 5.062 6.316 ( 0.000 0.480 0.793) 0.928 6.690 ( 0.000 -18.087 -4.544) 18.649 6.940 ( 0.000 -22.973 4.708) 23.450 7.078 ( 0.000 13.199 -21.555) 25.275 7.717 ( 0.000 16.839 -11.060) 20.146 7.937 ( 0.000 0.455 -23.241) 23.245 8.057 ( 0.000 8.411 11.299) 14.086 8.360 ( 0.000 -8.544 3.941) 9.409 8.617 ( 0.000 3.194 -14.873) 15.212 8.833 ( 0.000 6.149 -7.056) 9.360 9.006 ( 0.000 12.506 -9.772) 15.871 9.403 ( 0.000 -3.730 -12.456) 13.002 9.719 ( 0.000 -4.755 1.993) 5.156 9.906 ( 0.000 2.954 2.750) 4.036 10.141 ( 0.000 -4.664 20.340) 20.868 10.419 ( 0.000 3.605 -1.778) 4.020 10.609 ( 0.000 6.692 5.774) 8.839 10.642 ( 0.000 -4.688 -19.127) 19.693 10.837 ( 0.000 -2.089 -4.760) 5.198 11.286 ( 0.000 -0.167 0.230) 0.284 11.296 ( 0.000 -7.564 11.574) 13.826 11.466 ( 0.000 -14.671 2.222) 14.838 12.253 ( 0.000 -6.824 7.999) 10.514 12.268 ( 0.000 14.641 26.330) 30.127 12.825 ( 0.000 -6.947 12.539) 14.335 13.086 ( 0.000 -5.002 1.120) 5.126 13.442 ( 0.000 -10.099 -1.689) 10.240 13.463 ( 0.000 -3.383 12.049) 12.515 13.584 ( 0.000 -1.457 -2.237) 2.670 13.754 ( 0.000 -3.725 8.722) 9.485 13.836 ( 0.000 4.888 0.068) 4.888 14.071 ( 0.000 -13.224 8.968) 15.978 14.446 ( 0.000 -3.742 -6.664) 7.642 14.876 ( 0.000 15.364 -2.773) 15.612 15.197 ( 0.000 6.821 3.700) 7.760 15.276 ( 0.000 30.330 -12.467) 32.792 15.889 ( 0.000 18.531 7.728) 20.078 16.328 ( 0.000 8.395 -0.843) 8.437 16.528 ( 0.000 15.890 1.630) 15.973 16.835 ( 0.000 -2.642 -14.811) 15.045 17.040 ( 0.000 -10.915 1.066) 10.967 17.286 ( 0.000 -3.234 -17.070) 17.374 17.752 ( 0.000 9.654 -6.168) 11.456 18.165 ( 0.000 -16.715 -8.435) 18.722 18.351 ( 0.000 0.267 -15.535) 15.537 18.706 ( 0.000 -12.604 -4.128) 13.262 18.929 ( 0.000 -11.566 5.687) 12.888 20.568 ( 0.000 16.358 -1.113) 16.396 21.343 ( 0.000 -0.352 -3.803) 3.819 21.711 ( 0.000 -5.998 0.806) 6.052 22.015 ( 0.000 -12.049 14.076) 18.529 22.355 ( 0.000 1.636 -4.580) 4.864 22.611 ( 0.000 -3.459 -0.500) 3.495 22.908 ( 0.000 20.800 -7.983) 22.279 24.295 ( 0.000 -15.103 -8.076) 17.126 ======================= Grid point 181 (62/150) ======================= q-point: ( 0.12 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.522 ( 13.638 23.965 29.878) 40.657 2.694 ( 31.209 27.992 21.541) 47.134 4.696 ( 10.391 35.571 37.691) 52.857 5.111 ( -3.858 -16.335 1.462) 16.848 5.346 ( 12.161 -10.330 3.609) 16.359 6.292 ( -1.813 -4.567 2.487) 5.507 6.722 ( -2.487 -6.331 -7.345) 10.010 6.929 ( -3.311 -14.140 -2.366) 14.714 6.996 ( -1.224 -4.279 -8.815) 9.875 7.640 ( -5.936 7.243 -13.676) 16.574 8.000 ( 6.282 7.725 -18.718) 21.202 8.079 ( 1.791 8.473 11.566) 14.449 8.331 ( -1.574 -5.419 2.819) 6.307 8.505 ( -7.415 8.391 -14.676) 18.460 8.941 ( -5.168 10.759 -7.804) 14.261 9.099 ( 18.861 -2.748 -11.138) 22.076 9.415 ( -0.126 -6.660 -1.208) 6.770 9.695 ( 0.012 -2.911 -5.266) 6.017 9.949 ( 3.963 3.041 1.137) 5.123 10.162 ( 0.461 0.413 15.389) 15.402 10.430 ( -0.757 -4.404 9.069) 10.110 10.503 ( -4.329 -0.086 -3.357) 5.478 10.687 ( 1.272 6.545 -19.247) 20.369 10.861 ( 1.876 -0.832 -2.354) 3.123 11.279 ( -1.084 -6.878 8.836) 11.250 11.340 ( 3.083 -6.149 0.558) 6.901 11.441 ( 0.345 -10.245 6.908) 12.362 12.077 ( -12.316 1.374 8.738) 15.163 12.302 ( -0.379 5.758 18.765) 19.633 12.774 ( -3.012 -3.286 12.660) 13.422 13.100 ( -3.144 -3.227 1.198) 4.662 13.301 ( -5.374 -7.020 3.859) 9.646 13.512 ( -3.275 -6.197 11.463) 13.436 13.575 ( -2.239 -5.853 4.942) 7.981 13.776 ( 4.075 -1.324 -0.996) 4.399 13.804 ( -0.311 -4.620 5.442) 7.145 14.158 ( 4.527 -3.670 4.307) 7.247 14.395 ( -4.768 -1.623 -2.786) 5.756 14.914 ( 4.509 13.353 -2.591) 14.330 15.060 ( -2.569 16.224 -2.878) 16.676 15.583 ( 18.768 16.964 -5.422) 25.873 15.884 ( -0.635 18.123 6.673) 19.323 16.337 ( 1.066 7.532 -1.709) 7.796 16.456 ( -6.223 11.385 -0.481) 12.984 16.844 ( -0.008 1.432 -11.360) 11.450 17.084 ( 3.993 -10.706 -0.959) 11.467 17.268 ( -1.773 -3.937 -14.975) 15.585 17.733 ( -1.405 8.634 -7.508) 11.528 18.140 ( -2.483 -16.166 -8.003) 18.209 18.317 ( -3.333 -0.342 -15.882) 16.232 18.599 ( -8.255 -5.510 -4.018) 10.708 18.830 ( -10.326 -12.056 3.311) 16.215 20.709 ( 12.426 12.540 -1.849) 17.751 21.363 ( 1.804 0.406 -2.091) 2.791 21.678 ( -2.457 -6.308 2.056) 7.075 21.896 ( -9.784 -10.916 9.154) 17.282 22.300 ( -5.384 1.933 1.201) 5.845 22.519 ( -6.105 0.680 1.479) 6.318 23.142 ( 18.557 14.288 -9.799) 25.388 24.342 ( 3.681 -13.287 -10.831) 17.533 ======================= Grid point 182 (63/150) ======================= q-point: ( 0.25 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.928 ( 26.538 21.872 23.292) 41.535 3.345 ( 29.916 28.087 23.549) 47.312 4.813 ( -13.664 -5.866 -0.190) 14.871 5.132 ( 24.393 29.696 30.182) 48.866 5.678 ( 7.667 -5.766 2.006) 9.801 6.204 ( -2.525 -6.005 7.299) 9.783 6.611 ( 0.784 -1.365 -8.577) 8.721 6.868 ( -3.230 -11.211 -4.880) 12.647 7.080 ( 5.744 -20.204 2.816) 21.192 7.530 ( -4.908 0.461 -15.815) 16.565 8.078 ( -1.832 8.510 5.752) 10.434 8.146 ( 3.978 5.870 -8.409) 11.000 8.302 ( -0.278 5.231 2.059) 5.628 8.384 ( -4.524 7.942 -13.611) 16.396 8.859 ( -1.954 6.625 -2.673) 7.406 9.245 ( -3.819 -12.240 -3.244) 13.226 9.594 ( 18.122 -4.819 -4.081) 19.190 9.730 ( 1.519 -5.156 -8.347) 9.928 10.027 ( 2.141 2.942 0.456) 3.667 10.141 ( -1.319 6.472 3.631) 7.537 10.329 ( -5.420 -13.211 2.938) 14.579 10.500 ( -1.473 0.281 5.326) 5.533 10.711 ( 2.051 12.736 -20.144) 23.920 10.863 ( -2.139 -3.984 -0.159) 4.525 11.274 ( 3.378 -5.026 7.884) 9.941 11.441 ( 7.395 -7.728 6.092) 12.310 11.518 ( 6.587 -8.713 5.339) 12.158 11.848 ( -9.019 1.546 -0.427) 9.161 12.262 ( -3.132 2.867 16.000) 16.554 12.704 ( -5.721 4.509 14.756) 16.456 12.966 ( -7.020 -3.255 -2.269) 8.063 13.201 ( -6.205 -8.062 3.927) 10.905 13.353 ( -9.565 -7.729 10.245) 16.006 13.513 ( -6.394 -8.559 8.310) 13.535 13.796 ( 0.343 -2.237 4.031) 4.623 13.898 ( 5.605 -3.270 4.253) 7.758 14.171 ( -2.029 4.426 4.157) 6.402 14.313 ( -2.800 0.966 5.503) 6.249 15.061 ( 9.553 13.930 -2.536) 17.081 15.120 ( 7.763 13.489 -4.101) 16.094 15.826 ( -1.712 14.697 4.362) 15.426 15.945 ( 10.653 11.050 2.867) 15.614 16.329 ( -3.608 5.296 -6.107) 8.853 16.385 ( 3.877 7.116 -5.058) 9.552 16.819 ( -2.546 3.161 -8.678) 9.580 17.155 ( 0.300 -2.208 -4.863) 5.349 17.224 ( -0.425 -9.495 -7.076) 11.849 17.732 ( 2.142 4.981 -11.259) 12.497 18.066 ( -5.166 -14.642 -8.697) 17.796 18.219 ( -6.513 -2.027 -15.397) 16.841 18.445 ( -6.664 0.432 -6.508) 9.325 18.561 ( -14.300 -6.776 0.367) 15.828 20.971 ( 11.849 5.050 -1.823) 13.009 21.392 ( 0.029 0.869 4.237) 4.326 21.654 ( 0.974 -5.795 4.341) 7.306 21.713 ( -6.427 -8.591 1.877) 10.892 22.169 ( -6.928 2.525 4.969) 8.892 22.391 ( -6.975 1.297 2.869) 7.653 23.542 ( 20.260 9.659 -11.659) 25.292 24.395 ( 0.821 -8.690 -13.963) 16.467 ======================= Grid point 183 (64/150) ======================= q-point: ( 0.38 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.521 ( 30.396 18.679 20.326) 41.061 3.875 ( 26.168 28.596 18.473) 42.939 4.456 ( -19.613 7.137 9.788) 23.053 5.227 ( -32.101 20.904 2.174) 38.369 5.830 ( 30.624 -0.059 14.710) 33.974 6.511 ( 21.911 -20.180 8.152) 30.883 6.640 ( -5.521 -14.621 -0.857) 15.652 6.919 ( 14.991 9.690 -7.405) 19.325 7.134 ( -2.462 -22.256 7.283) 23.546 7.444 ( -3.686 -0.597 -16.331) 16.752 7.963 ( -6.750 3.663 3.944) 8.633 8.152 ( -7.395 0.972 -0.113) 7.460 8.257 ( -3.044 8.907 -5.978) 11.151 8.327 ( -1.039 14.950 -5.126) 15.838 8.886 ( 4.609 2.863 5.071) 7.427 9.177 ( -3.973 -7.107 0.385) 8.152 9.738 ( 1.550 -6.987 -5.715) 9.159 9.884 ( 7.031 -7.137 -3.200) 10.517 10.042 ( 3.259 0.968 -5.051) 6.088 10.115 ( -1.239 -1.232 -1.846) 2.542 10.236 ( -4.913 -10.345 -10.357) 15.441 10.419 ( -6.113 -7.937 -2.604) 10.351 10.762 ( 3.373 13.335 -7.277) 15.562 10.843 ( 0.971 0.729 -2.629) 2.896 11.378 ( 4.568 -3.708 6.975) 9.125 11.605 ( -0.939 -4.413 -1.875) 4.886 11.670 ( 12.981 -11.306 9.951) 19.884 11.816 ( 11.277 2.576 3.157) 11.990 12.186 ( -5.082 1.328 11.959) 13.062 12.488 ( -15.673 4.072 13.749) 21.243 12.885 ( -1.182 0.595 -0.753) 1.523 13.090 ( -3.697 -9.182 0.436) 9.908 13.179 ( -8.233 -12.885 9.067) 17.777 13.293 ( -12.479 -3.798 0.150) 13.045 13.847 ( 4.586 2.124 10.950) 12.060 13.970 ( 1.223 -0.027 10.040) 10.114 14.147 ( 0.054 1.860 9.511) 9.692 14.253 ( -3.683 2.552 7.957) 9.132 15.259 ( 9.907 22.630 -2.274) 24.808 15.322 ( 10.810 13.473 -5.362) 18.086 15.741 ( -5.243 8.810 6.236) 12.000 15.933 ( -9.498 -0.223 5.625) 11.041 16.416 ( 8.512 4.171 -6.098) 11.271 16.529 ( 10.691 5.407 -10.168) 15.714 16.743 ( -4.626 3.435 -7.615) 9.549 17.039 ( -9.310 1.975 -8.003) 12.434 17.325 ( 8.873 -9.812 -0.812) 13.254 17.821 ( 4.723 -0.615 -12.643) 13.510 17.881 ( -12.608 -12.335 -6.361) 18.751 18.090 ( -5.445 -1.011 -15.186) 16.164 18.328 ( -4.897 1.323 -4.612) 6.856 18.359 ( -5.400 -1.676 -10.511) 11.936 21.140 ( 5.412 -2.562 2.286) 6.409 21.330 ( -5.323 -3.970 9.325) 11.448 21.688 ( 2.729 -1.768 -1.738) 3.687 21.724 ( 4.790 -0.823 4.198) 6.422 22.054 ( -3.561 1.324 3.706) 5.308 22.239 ( -8.166 0.877 2.324) 8.536 23.916 ( 16.738 5.723 -12.861) 21.870 24.356 ( -4.939 -3.370 -14.556) 15.736 ======================= Grid point 184 (65/150) ======================= q-point: (-0.50 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.040 ( -21.822 15.021 18.455) 32.286 4.040 ( 21.822 15.021 18.455) 32.286 4.508 ( -36.059 24.245 7.286) 44.059 4.508 ( 36.059 24.245 7.286) 44.059 6.353 ( -19.868 -13.465 4.904) 24.497 6.353 ( 19.868 -13.465 4.904) 24.497 6.935 ( -16.607 -19.017 6.162) 25.989 6.935 ( 16.607 -19.017 6.162) 25.989 7.297 ( -15.465 7.629 -10.335) 20.104 7.297 ( 15.465 7.629 -10.335) 20.104 7.927 ( -6.288 3.110 4.487) 8.327 7.927 ( 6.288 3.110 4.487) 8.327 8.283 ( -2.714 10.211 -5.224) 11.786 8.283 ( 2.714 10.211 -5.224) 11.786 9.031 ( -9.134 -0.616 7.374) 11.755 9.031 ( 9.134 -0.616 7.374) 11.755 9.848 ( -7.066 -6.131 -7.153) 11.776 9.848 ( 7.066 -6.131 -7.153) 11.776 10.102 ( -2.843 -5.191 -8.940) 10.721 10.102 ( 2.843 -5.191 -8.940) 10.721 10.262 ( -9.018 -9.944 -6.437) 14.888 10.262 ( 9.018 -9.944 -6.437) 14.888 10.837 ( -2.745 7.468 -3.502) 8.693 10.837 ( 2.745 7.468 -3.502) 8.693 11.481 ( -6.680 -4.807 1.095) 8.302 11.481 ( 6.680 -4.807 1.095) 8.302 12.001 ( -14.628 -0.987 10.211) 17.867 12.001 ( 14.628 -0.987 10.211) 17.867 12.135 ( -17.893 -0.342 9.921) 20.462 12.135 ( 17.893 -0.342 9.921) 20.462 12.944 ( -7.955 -0.895 -0.173) 8.007 12.944 ( 7.955 -0.895 -0.173) 8.007 13.138 ( -3.902 -10.159 2.621) 11.194 13.138 ( 3.902 -10.159 2.621) 11.194 13.942 ( -3.838 2.973 12.706) 13.602 13.942 ( 3.838 2.973 12.706) 13.602 14.178 ( -3.065 1.324 9.873) 10.422 14.178 ( 3.065 1.324 9.873) 10.422 15.422 ( -4.050 28.516 -4.618) 29.170 15.422 ( 4.050 28.516 -4.618) 29.170 15.731 ( -7.470 -6.823 6.224) 11.878 15.731 ( 7.470 -6.823 6.224) 11.878 16.575 ( -6.995 2.464 -7.096) 10.264 16.575 ( 6.995 2.464 -7.096) 10.264 16.819 ( -11.974 4.106 -8.122) 15.040 16.819 ( 11.974 4.106 -8.122) 15.040 17.565 ( -14.722 -10.633 -1.145) 18.197 17.565 ( 14.722 -10.633 -1.145) 18.197 17.970 ( -7.001 -0.220 -15.217) 16.752 17.970 ( 7.001 -0.220 -15.217) 16.752 18.294 ( -1.284 -0.195 -9.788) 9.874 18.294 ( 1.284 -0.195 -9.788) 9.874 21.229 ( -4.456 -5.627 7.031) 10.047 21.229 ( 4.456 -5.627 7.031) 10.047 21.754 ( -2.394 1.912 1.832) 3.570 21.754 ( 2.394 1.912 1.832) 3.570 22.083 ( -6.320 -0.085 1.744) 6.557 22.083 ( 6.320 -0.085 1.744) 6.557 24.196 ( -11.145 1.486 -13.864) 17.851 24.196 ( 11.145 1.486 -13.864) 17.851 ======================= Grid point 189 (66/150) ======================= q-point: ( 0.00 0.38 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.936 ( 0.000 34.264 14.158) 37.074 3.092 ( 0.000 40.684 10.745) 42.079 4.366 ( 0.000 -36.689 3.233) 36.831 4.651 ( 0.000 -30.640 -6.450) 31.311 5.739 ( 0.000 41.009 40.323) 57.513 6.384 ( 0.000 -11.007 -0.210) 11.009 6.421 ( 0.000 6.177 8.644) 10.624 6.527 ( 0.000 -17.491 4.598) 18.085 7.310 ( 0.000 10.327 -18.702) 21.363 7.940 ( 0.000 -12.479 -10.458) 16.282 8.060 ( 0.000 16.114 -7.959) 17.973 8.114 ( 0.000 -1.688 -9.135) 9.289 8.228 ( 0.000 7.875 11.303) 13.776 8.519 ( 0.000 -10.854 -8.990) 14.093 8.888 ( 0.000 1.312 -2.132) 2.503 9.251 ( 0.000 -12.244 3.664) 12.781 9.389 ( 0.000 23.119 -8.719) 24.708 9.726 ( 0.000 5.542 -15.638) 16.591 9.932 ( 0.000 -0.990 -2.318) 2.521 10.077 ( 0.000 -1.556 17.655) 17.724 10.314 ( 0.000 -15.030 11.249) 18.773 10.453 ( 0.000 -8.025 -15.236) 17.220 10.743 ( 0.000 7.699 5.264) 9.326 10.958 ( 0.000 6.133 -14.144) 15.417 11.124 ( 0.000 -9.994 6.882) 12.134 11.163 ( 0.000 -8.249 0.225) 8.252 11.435 ( 0.000 10.884 2.547) 11.179 12.072 ( 0.000 -12.857 4.456) 13.608 12.548 ( 0.000 13.583 22.764) 26.508 12.757 ( 0.000 1.490 4.744) 4.972 12.965 ( 0.000 -7.450 12.171) 14.270 13.177 ( 0.000 -15.570 -1.591) 15.651 13.442 ( 0.000 0.770 7.664) 7.703 13.537 ( 0.000 -3.037 -0.667) 3.109 13.723 ( 0.000 0.603 9.482) 9.502 13.880 ( 0.000 -7.084 10.380) 12.567 13.978 ( 0.000 8.981 -2.138) 9.232 14.336 ( 0.000 -7.494 -5.448) 9.265 15.113 ( 0.000 10.198 0.610) 10.216 15.319 ( 0.000 3.105 5.405) 6.233 15.777 ( 0.000 21.230 -7.376) 22.475 16.180 ( 0.000 8.060 11.086) 13.706 16.446 ( 0.000 5.582 -7.419) 9.285 16.772 ( 0.000 -2.008 1.426) 2.463 16.844 ( 0.000 4.024 -20.217) 20.614 16.947 ( 0.000 12.042 1.658) 12.156 17.162 ( 0.000 -8.539 -23.005) 24.538 17.755 ( 0.000 -22.990 -0.594) 22.997 18.006 ( 0.000 15.542 0.638) 15.556 18.377 ( 0.000 2.464 -14.643) 14.849 18.542 ( 0.000 -5.818 -10.714) 12.192 18.660 ( 0.000 -15.665 4.763) 16.373 20.906 ( 0.000 17.399 -2.573) 17.589 21.327 ( 0.000 -1.917 -3.560) 4.043 21.604 ( 0.000 -4.204 5.204) 6.690 21.759 ( 0.000 -13.077 12.138) 17.842 22.397 ( 0.000 2.727 -3.623) 4.535 22.537 ( 0.000 -4.011 -1.418) 4.254 23.305 ( 0.000 19.517 -10.240) 22.040 23.993 ( 0.000 -15.922 -9.871) 18.734 ======================= Grid point 190 (67/150) ======================= q-point: ( 0.12 0.38 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.076 ( 11.845 31.586 16.856) 37.711 3.361 ( 26.714 38.536 8.897) 47.726 4.433 ( 4.181 -33.967 -0.086) 34.223 4.850 ( 20.651 -27.764 -0.401) 34.604 5.703 ( -3.171 33.167 32.575) 46.596 6.194 ( -9.358 -4.582 11.517) 15.531 6.563 ( 7.000 -11.117 7.236) 14.998 6.631 ( 7.074 -2.049 -1.254) 7.471 7.187 ( -11.789 12.615 -15.628) 23.289 7.747 ( -11.349 0.116 -13.320) 17.500 8.071 ( -0.119 -10.353 1.686) 10.490 8.172 ( 0.096 3.816 -12.099) 12.687 8.298 ( 6.560 10.689 7.591) 14.660 8.532 ( 2.647 -3.538 -8.609) 9.677 9.012 ( 8.782 -3.603 -6.625) 11.576 9.191 ( -5.392 -0.994 4.552) 7.126 9.344 ( -3.188 12.266 -2.897) 13.000 9.727 ( 0.631 5.721 -18.420) 19.298 9.970 ( 3.171 -1.678 -4.481) 5.740 10.103 ( 0.435 -9.414 11.190) 14.629 10.250 ( -3.595 -6.222 9.932) 12.259 10.448 ( 0.004 -7.179 -9.427) 11.849 10.772 ( 1.826 4.288 2.175) 5.143 10.992 ( 2.866 7.306 -10.462) 13.079 11.098 ( -1.591 -7.865 7.888) 11.252 11.176 ( 1.430 -7.880 1.349) 8.122 11.440 ( 0.813 8.076 2.758) 8.572 11.995 ( -7.174 -10.211 3.718) 13.021 12.453 ( -7.487 9.388 17.534) 21.251 12.763 ( 1.380 1.694 6.799) 7.141 12.990 ( -2.858 -6.911 11.480) 13.701 13.146 ( -0.426 -8.960 3.777) 9.733 13.419 ( -4.638 -2.370 9.726) 11.033 13.476 ( -5.765 -4.165 3.708) 8.020 13.738 ( 2.049 -0.289 5.674) 6.039 13.782 ( -1.302 -0.364 2.756) 3.069 14.151 ( 9.267 2.400 2.607) 9.922 14.336 ( -0.458 -4.462 -1.529) 4.739 15.111 ( 0.812 8.841 0.155) 8.879 15.286 ( -0.779 5.115 2.809) 5.887 15.924 ( 11.794 16.433 -3.831) 20.587 16.187 ( 0.103 10.710 10.429) 14.949 16.440 ( -0.186 4.631 -8.969) 10.096 16.652 ( -8.046 6.267 -8.205) 13.089 16.887 ( 0.784 -6.269 -0.905) 6.382 16.971 ( 1.512 8.068 -12.286) 14.776 17.157 ( 0.263 -4.593 -17.255) 17.858 17.754 ( -0.322 -21.279 -3.334) 21.541 17.964 ( -3.831 14.071 -0.845) 14.607 18.328 ( -4.817 1.114 -13.823) 14.681 18.504 ( -3.481 -4.307 -10.717) 12.063 18.590 ( -6.453 -12.752 3.154) 14.636 20.983 ( 6.692 14.964 -2.505) 16.582 21.369 ( 3.910 -0.342 -2.112) 4.457 21.565 ( -2.906 -4.901 5.535) 7.944 21.658 ( -8.726 -12.472 9.312) 17.843 22.349 ( -4.622 3.054 -0.084) 5.541 22.487 ( -4.423 -3.131 0.719) 5.466 23.454 ( 13.189 16.622 -11.817) 24.288 24.070 ( 6.662 -14.542 -11.986) 19.988 ======================= Grid point 191 (68/150) ======================= q-point: ( 0.25 0.38 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.413 ( 21.876 26.992 16.935) 38.651 3.985 ( 31.097 36.602 13.092) 49.781 4.500 ( 2.594 -24.080 2.235) 24.322 5.385 ( 28.704 -22.340 4.981) 36.712 5.660 ( 1.403 14.654 16.507) 22.118 6.011 ( -11.102 -7.216 15.845) 20.649 6.646 ( -7.170 1.189 -0.634) 7.296 6.735 ( 7.973 -4.839 7.933) 12.244 6.982 ( -1.916 14.860 -9.860) 17.936 7.564 ( -7.129 0.410 -16.060) 17.576 8.076 ( -5.573 -7.444 -9.775) 13.491 8.102 ( 0.481 -8.347 3.867) 9.212 8.418 ( 4.626 12.092 5.355) 14.011 8.634 ( 5.306 5.915 -7.786) 11.125 9.007 ( -5.969 0.716 0.504) 6.033 9.121 ( -4.011 10.779 -9.108) 14.671 9.383 ( 7.560 -12.672 7.079) 16.366 9.742 ( -0.158 2.728 -19.485) 19.676 9.990 ( -3.424 -9.683 -5.649) 11.721 10.063 ( -0.595 -9.641 -7.985) 12.532 10.244 ( 0.521 4.024 2.830) 4.947 10.437 ( -2.496 -5.819 2.806) 6.926 10.819 ( 3.749 4.032 4.954) 7.406 11.013 ( -0.240 11.735 -8.953) 14.762 11.166 ( 9.513 -8.624 10.528) 16.605 11.222 ( 3.126 -6.914 4.662) 8.906 11.477 ( 3.057 2.193 2.283) 4.401 11.831 ( -7.578 -5.858 2.723) 9.958 12.321 ( -5.285 5.839 13.547) 15.670 12.772 ( -4.110 -11.118 3.077) 12.246 12.846 ( -7.209 6.536 12.691) 15.992 13.112 ( -4.193 -3.799 5.343) 7.782 13.240 ( -11.048 -3.025 10.130) 15.291 13.356 ( -6.670 -7.304 8.738) 13.198 13.795 ( 4.813 1.811 6.039) 7.932 13.866 ( 6.891 -0.907 2.296) 7.320 14.249 ( -0.685 3.388 5.084) 6.148 14.318 ( -0.477 -0.395 5.904) 5.937 15.195 ( 8.119 5.510 -0.959) 9.859 15.342 ( 6.370 3.907 1.753) 7.676 16.100 ( 0.738 12.504 1.033) 12.568 16.188 ( 1.060 12.096 6.253) 13.658 16.436 ( -1.022 5.769 -10.345) 11.889 16.539 ( 0.470 7.936 -11.710) 14.153 16.850 ( -4.160 -2.570 -5.746) 7.545 16.999 ( 1.832 -10.061 -8.558) 13.335 17.179 ( 0.965 4.615 -10.740) 11.729 17.722 ( -3.612 -17.982 -7.230) 19.715 17.889 ( -2.563 9.781 -5.520) 11.520 18.196 ( -7.634 -1.718 -11.933) 14.270 18.418 ( -4.985 -2.972 -11.201) 12.615 18.442 ( -7.288 -4.999 -0.162) 8.839 21.099 ( 3.120 7.937 -0.380) 8.537 21.398 ( -6.443 -1.544 8.912) 11.105 21.542 ( 3.327 -7.298 -2.158) 8.306 21.559 ( 4.056 -3.936 4.614) 7.296 22.230 ( -6.891 3.638 3.601) 8.584 22.375 ( -6.755 -2.572 3.055) 7.847 23.756 ( 15.671 11.744 -13.671) 23.883 24.206 ( 5.871 -10.557 -14.727) 19.047 ======================= Grid point 192 (69/150) ======================= q-point: ( 0.38 0.38 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.899 ( 24.806 19.649 19.336) 37.085 4.451 ( 6.096 10.760 10.935) 16.508 4.556 ( 12.413 19.949 16.251) 28.568 5.570 ( -24.189 7.752 8.975) 26.940 5.757 ( 13.146 -3.563 2.706) 13.886 6.036 ( 19.815 -24.714 7.300) 32.507 6.461 ( -7.180 -4.273 4.557) 9.517 6.771 ( -4.816 -14.426 8.425) 17.386 7.177 ( 16.326 15.572 -6.783) 23.559 7.459 ( -3.316 0.837 -17.542) 17.873 7.942 ( -3.704 -1.193 -3.482) 5.222 8.143 ( 0.045 -2.335 2.133) 3.163 8.470 ( 0.868 10.511 0.252) 10.550 8.639 ( -5.139 8.717 -2.512) 10.426 8.946 ( 0.675 7.322 0.376) 7.362 9.070 ( -0.779 0.340 -4.478) 4.558 9.510 ( 4.090 -16.263 -1.238) 16.815 9.717 ( -1.268 -10.709 -10.029) 14.727 9.896 ( -4.856 -9.032 -13.794) 17.188 10.030 ( -4.661 -9.215 -16.371) 19.356 10.239 ( 0.497 7.320 2.597) 7.783 10.349 ( -4.700 1.179 3.622) 6.049 10.916 ( 4.853 6.589 3.668) 8.968 11.011 ( -0.094 10.473 -5.413) 11.789 11.290 ( 3.547 -5.332 7.743) 10.048 11.414 ( 7.318 -11.998 3.743) 14.543 11.583 ( 11.926 0.816 6.708) 13.708 11.792 ( 6.700 -5.191 6.598) 10.741 12.215 ( -6.785 2.670 11.393) 13.527 12.481 ( -20.018 -7.053 9.442) 23.229 12.839 ( 2.200 1.901 6.420) 7.048 13.021 ( -6.160 -3.725 6.932) 9.994 13.042 ( -5.395 0.076 4.260) 6.874 13.198 ( -8.643 -5.896 5.445) 11.794 13.924 ( 7.329 4.416 9.798) 13.008 13.996 ( 5.366 1.462 6.768) 8.760 14.191 ( -3.230 3.121 10.701) 11.605 14.279 ( -4.049 0.159 7.844) 8.829 15.409 ( 12.037 1.259 -0.037) 12.103 15.505 ( 8.621 0.175 4.972) 9.954 16.021 ( -5.996 16.431 -2.528) 17.672 16.079 ( -10.108 13.858 -4.250) 17.671 16.481 ( 4.641 2.168 -6.490) 8.268 16.660 ( 7.330 8.197 -8.614) 13.969 16.753 ( -3.514 -4.095 -9.629) 11.037 17.017 ( -2.360 -6.583 -6.191) 9.340 17.201 ( 3.701 0.796 -6.172) 7.240 17.583 ( -10.262 -14.474 -6.244) 18.809 17.894 ( 3.174 5.254 -11.463) 13.003 18.074 ( -4.264 -1.215 -14.208) 14.884 18.307 ( -4.784 -2.187 -4.762) 7.096 18.332 ( -4.352 -1.621 -8.294) 9.506 21.112 ( -0.283 0.070 3.949) 3.959 21.236 ( -7.298 -5.195 8.321) 12.226 21.673 ( 7.741 0.507 -0.585) 7.780 21.718 ( 9.263 -0.649 2.073) 9.514 22.092 ( -6.234 2.757 4.261) 8.039 22.222 ( -8.423 -2.398 3.501) 9.432 24.038 ( 12.048 6.544 -14.706) 20.106 24.274 ( 0.561 -4.997 -15.610) 16.400 ======================= Grid point 193 (70/150) ======================= q-point: (-0.50 0.38 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.304 ( -14.466 10.914 20.796) 27.584 4.304 ( 14.466 10.914 20.796) 27.584 5.009 ( -27.826 25.007 8.778) 38.428 5.009 ( 27.826 25.007 8.778) 38.428 6.063 ( -14.029 -14.632 -0.389) 20.275 6.063 ( 14.029 -14.632 -0.389) 20.275 6.575 ( -13.814 -17.464 12.172) 25.377 6.575 ( 13.814 -17.464 12.172) 25.377 7.404 ( -4.570 3.365 -15.889) 16.872 7.404 ( 4.570 3.365 -15.889) 16.872 8.024 ( -10.220 8.140 2.857) 13.374 8.024 ( 10.220 8.140 2.857) 13.374 8.516 ( -4.955 8.525 -2.173) 10.097 8.516 ( 4.955 8.525 -2.173) 10.097 9.016 ( -4.783 2.961 0.116) 5.626 9.016 ( 4.783 2.961 0.116) 5.626 9.618 ( -7.858 -16.544 -8.842) 20.338 9.618 ( 7.858 -16.544 -8.842) 20.338 9.907 ( -5.846 -11.257 -11.572) 17.170 9.907 ( 5.846 -11.257 -11.572) 17.170 10.277 ( -2.751 7.707 -0.258) 8.187 10.277 ( 2.751 7.707 -0.258) 8.187 10.990 ( -2.458 7.306 -0.910) 7.762 10.990 ( 2.458 7.306 -0.910) 7.762 11.374 ( -4.904 -6.165 3.873) 8.778 11.374 ( 4.904 -6.165 3.873) 8.778 11.961 ( -14.611 -1.898 11.188) 18.500 11.961 ( 14.611 -1.898 11.188) 18.500 12.076 ( -13.972 -5.480 8.852) 17.425 12.076 ( 13.972 -5.480 8.852) 17.425 12.899 ( -4.062 0.014 7.402) 8.443 12.899 ( 4.062 0.014 7.402) 8.443 13.054 ( -4.777 -2.464 1.855) 5.686 13.054 ( 4.777 -2.464 1.855) 5.686 14.039 ( -2.587 5.835 11.092) 12.798 14.039 ( 2.587 5.835 11.092) 12.798 14.183 ( -3.824 -0.598 9.461) 10.221 14.183 ( 3.824 -0.598 9.461) 10.221 15.594 ( -3.146 -5.888 6.925) 9.619 15.594 ( 3.146 -5.888 6.925) 9.619 15.934 ( -0.771 22.241 -9.247) 24.099 15.934 ( 0.771 22.241 -9.247) 24.099 16.596 ( -6.591 -1.316 -7.604) 10.149 16.596 ( 6.591 -1.316 -7.604) 10.149 16.886 ( -9.243 2.716 -7.173) 12.010 16.886 ( 9.243 2.716 -7.173) 12.010 17.359 ( -10.833 -9.328 -4.840) 15.093 17.359 ( 10.833 -9.328 -4.840) 15.093 17.987 ( -5.094 1.919 -14.915) 15.877 17.987 ( 5.094 1.919 -14.915) 15.877 18.270 ( -1.231 -2.078 -6.594) 7.023 18.270 ( 1.231 -2.078 -6.594) 7.023 21.133 ( -2.925 -3.727 6.579) 8.107 21.133 ( 2.925 -3.727 6.579) 8.107 21.803 ( -3.291 2.652 1.219) 4.399 21.803 ( 3.291 2.652 1.219) 4.399 22.064 ( -5.497 -1.583 3.540) 6.727 22.064 ( 5.497 -1.583 3.540) 6.727 24.220 ( -5.995 0.915 -15.353) 16.507 24.220 ( 5.995 0.915 -15.353) 16.507 ======================= Grid point 198 (71/150) ======================= q-point: ( 0.00 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.639 ( 0.000 -37.147 7.164) 37.831 3.639 ( 0.000 37.147 7.164) 37.831 3.913 ( 0.000 -41.724 -1.488) 41.751 3.913 ( 0.000 41.724 -1.488) 41.751 6.310 ( 0.000 -3.882 3.214) 5.040 6.310 ( 0.000 3.882 3.214) 5.040 6.360 ( 0.000 -17.253 25.096) 30.454 6.360 ( 0.000 17.253 25.096) 30.454 7.552 ( 0.000 -17.488 -9.731) 20.013 7.552 ( 0.000 17.488 -9.731) 20.013 8.277 ( 0.000 -4.716 0.940) 4.809 8.277 ( 0.000 4.716 0.940) 4.809 8.282 ( 0.000 -12.154 -13.323) 18.034 8.282 ( 0.000 12.154 -13.323) 18.034 8.997 ( 0.000 -11.090 3.401) 11.600 8.997 ( 0.000 11.090 3.401) 11.600 9.837 ( 0.000 -21.687 2.751) 21.860 9.837 ( 0.000 21.687 2.751) 21.860 9.858 ( 0.000 -6.222 -11.036) 12.669 9.858 ( 0.000 6.222 -11.036) 12.669 10.265 ( 0.000 -9.262 1.515) 9.385 10.265 ( 0.000 9.262 1.515) 9.385 10.920 ( 0.000 -10.244 5.483) 11.619 10.920 ( 0.000 10.244 5.483) 11.619 11.045 ( 0.000 -4.611 -5.692) 7.325 11.045 ( 0.000 4.611 -5.692) 7.325 11.754 ( 0.000 -18.453 1.616) 18.524 11.754 ( 0.000 18.453 1.616) 18.524 12.788 ( 0.000 -10.769 18.801) 21.667 12.788 ( 0.000 10.769 18.801) 21.667 12.895 ( 0.000 -11.866 0.076) 11.866 12.895 ( 0.000 11.866 0.076) 11.866 13.478 ( 0.000 -2.674 2.752) 3.837 13.478 ( 0.000 2.674 2.752) 3.837 13.772 ( 0.000 -4.133 10.313) 11.111 13.772 ( 0.000 4.133 10.313) 11.111 14.165 ( 0.000 -9.588 -3.968) 10.377 14.165 ( 0.000 9.588 -3.968) 10.377 15.282 ( 0.000 -6.271 4.389) 7.654 15.282 ( 0.000 6.271 4.389) 7.654 16.111 ( 0.000 -12.395 -0.113) 12.395 16.111 ( 0.000 12.395 -0.113) 12.395 16.620 ( 0.000 -9.942 0.230) 9.945 16.620 ( 0.000 9.942 0.230) 9.945 16.982 ( 0.000 -9.133 -23.514) 25.226 16.982 ( 0.000 9.133 -23.514) 25.226 17.315 ( 0.000 -21.452 0.729) 21.464 17.315 ( 0.000 21.452 0.729) 21.464 18.333 ( 0.000 -17.274 3.320) 17.591 18.333 ( 0.000 17.274 3.320) 17.591 18.445 ( 0.000 -4.318 -13.267) 13.952 18.445 ( 0.000 4.318 -13.267) 13.952 21.207 ( 0.000 -11.777 -3.395) 12.256 21.207 ( 0.000 11.777 -3.395) 12.256 21.581 ( 0.000 -3.272 9.170) 9.736 21.581 ( 0.000 3.272 9.170) 9.736 22.460 ( 0.000 -3.664 -2.513) 4.443 22.460 ( 0.000 3.664 -2.513) 4.443 23.667 ( 0.000 -17.524 -10.677) 20.521 23.667 ( 0.000 17.524 -10.677) 20.521 ======================= Grid point 200 (72/150) ======================= q-point: ( 0.12 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.723 ( 8.517 -32.608 6.866) 34.394 3.723 ( 8.517 32.608 6.866) 34.394 4.169 ( 23.630 -37.371 1.107) 44.229 4.169 ( 23.630 37.371 1.107) 44.229 6.085 ( -11.867 -8.439 16.310) 21.865 6.085 ( -11.867 8.439 16.310) 21.865 6.574 ( 10.399 -7.325 9.287) 15.750 6.574 ( 10.399 7.325 9.287) 15.750 7.482 ( -6.099 -18.893 -8.389) 21.553 7.482 ( -6.099 18.893 -8.389) 21.553 8.100 ( -7.864 -7.924 -6.325) 12.831 8.100 ( -7.864 7.924 -6.325) 12.831 8.473 ( 9.044 -4.614 -4.004) 10.914 8.473 ( 9.044 4.614 -4.004) 10.914 9.032 ( 2.880 -6.913 2.687) 7.957 9.032 ( 2.880 6.913 2.687) 7.957 9.733 ( -7.866 -18.274 -1.197) 19.931 9.733 ( -7.866 18.274 -1.197) 19.931 9.895 ( 1.821 -4.676 -11.658) 12.692 9.895 ( 1.821 4.676 -11.658) 12.692 10.285 ( 2.092 -7.060 1.758) 7.570 10.285 ( 2.092 7.060 1.758) 7.570 10.907 ( -0.271 -9.010 7.498) 11.724 10.907 ( -0.271 9.010 7.498) 11.724 11.090 ( 3.441 -3.121 -5.216) 6.985 11.090 ( 3.441 3.121 -5.216) 6.985 11.712 ( -3.787 -16.811 2.373) 17.395 11.712 ( -3.787 16.811 2.373) 17.395 12.668 ( -7.741 -11.388 10.308) 17.201 12.668 ( -7.741 11.388 10.308) 17.201 12.986 ( 4.249 -6.684 9.383) 12.279 12.986 ( 4.249 6.684 9.383) 12.279 13.416 ( -6.596 -1.758 5.774) 8.941 13.416 ( -6.596 1.758 5.774) 8.941 13.760 ( 0.885 -1.708 5.161) 5.508 13.760 ( 0.885 1.708 5.161) 5.508 14.233 ( 5.037 -5.409 0.058) 7.392 14.233 ( 5.037 5.409 0.058) 7.392 15.265 ( -0.550 -5.906 3.419) 6.847 15.265 ( -0.550 5.906 3.419) 6.847 16.186 ( 6.193 -9.152 1.955) 11.222 16.186 ( 6.193 9.152 1.955) 11.222 16.600 ( -1.627 -9.461 -3.928) 10.373 16.600 ( -1.627 9.461 -3.928) 10.373 16.919 ( -5.219 -7.828 -17.648) 19.999 16.919 ( -5.219 7.828 -17.648) 19.999 17.354 ( 2.842 -18.742 -4.056) 19.385 17.354 ( 2.842 18.742 -4.056) 19.385 18.247 ( -7.345 -12.976 -0.787) 14.931 18.247 ( -7.345 12.976 -0.787) 14.931 18.439 ( -1.326 -1.261 -10.079) 10.244 18.439 ( -1.326 1.261 -10.079) 10.244 21.263 ( 4.820 -12.144 -2.776) 13.357 21.263 ( 4.820 12.144 -2.776) 13.357 21.510 ( -5.779 -0.821 8.250) 10.107 21.510 ( -5.779 0.821 8.250) 10.107 22.417 ( -4.135 -3.732 0.048) 5.570 22.417 ( -4.135 3.732 0.048) 5.570 23.773 ( 9.482 -15.832 -12.381) 22.222 23.773 ( 9.482 15.832 -12.381) 22.222 ======================= Grid point 202 (73/150) ======================= q-point: ( 0.25 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.963 ( 14.833 -28.713 9.389) 33.653 3.963 ( 14.833 28.713 9.389) 33.653 4.736 ( 29.826 -38.311 6.227) 48.950 4.736 ( 29.826 38.311 6.227) 48.950 5.877 ( -8.365 -8.682 14.376) 18.762 5.877 ( -8.365 8.682 14.376) 18.762 6.689 ( -1.114 -3.266 3.880) 5.192 6.689 ( -1.114 3.266 3.880) 5.192 7.382 ( -1.539 -19.915 -8.085) 21.549 7.382 ( -1.539 19.915 -8.085) 21.549 7.984 ( -2.983 -2.313 -3.376) 5.064 7.984 ( -2.983 2.313 -3.376) 5.064 8.608 ( 3.723 -6.275 -1.309) 7.413 8.608 ( 3.723 6.275 -1.309) 7.413 9.091 ( 3.219 -10.746 1.343) 11.298 9.091 ( 3.219 10.746 1.343) 11.298 9.548 ( -10.078 -21.135 -3.575) 23.686 9.548 ( -10.078 21.135 -3.575) 23.686 9.931 ( 0.975 -5.545 -19.711) 20.499 9.931 ( 0.975 5.545 -19.711) 20.499 10.328 ( 1.373 -4.910 3.812) 6.365 10.328 ( 1.373 4.910 3.812) 6.365 10.957 ( 5.889 -9.359 10.201) 15.044 10.957 ( 5.889 9.359 10.201) 15.044 11.158 ( 3.420 -3.251 -3.266) 5.738 11.158 ( 3.420 3.251 -3.266) 5.738 11.630 ( -3.362 -12.055 4.147) 13.185 11.630 ( -3.362 12.055 4.147) 13.185 12.516 ( -7.818 -12.813 8.703) 17.350 12.516 ( -7.818 12.813 8.703) 17.350 13.003 ( -2.544 -7.426 9.379) 12.230 13.003 ( -2.544 7.426 9.379) 12.230 13.246 ( -9.124 -3.437 8.784) 13.123 13.246 ( -9.124 3.437 8.784) 13.123 13.839 ( 6.604 -2.075 4.005) 7.997 13.839 ( 6.604 2.075 4.005) 7.997 14.298 ( 0.584 -1.674 5.560) 5.836 14.298 ( 0.584 1.674 5.560) 5.836 15.307 ( 5.278 -5.327 2.447) 7.888 15.307 ( 5.278 5.327 2.447) 7.888 16.276 ( 1.024 -4.129 4.101) 5.909 16.276 ( 1.024 4.129 4.101) 5.909 16.588 ( 1.048 -7.164 -13.193) 15.050 16.588 ( 1.048 7.164 -13.193) 15.050 16.820 ( -3.441 -5.863 -9.417) 11.615 16.820 ( -3.441 5.863 -9.417) 11.615 17.389 ( -0.135 -15.130 -7.936) 17.086 17.389 ( -0.135 15.130 -7.936) 17.086 18.090 ( -7.019 -9.274 -5.318) 12.789 18.090 ( -7.019 9.274 -5.318) 12.789 18.385 ( -3.942 -1.097 -8.301) 9.255 18.385 ( -3.942 1.097 -8.301) 9.255 21.272 ( -5.985 -9.264 4.280) 11.830 21.272 ( -5.985 9.264 4.280) 11.830 21.503 ( 7.573 -1.681 1.515) 7.904 21.503 ( 7.573 1.681 1.515) 7.904 22.307 ( -6.697 -3.998 3.144) 8.409 22.307 ( -6.697 3.998 3.144) 8.409 23.987 ( 10.740 -11.682 -14.638) 21.589 23.987 ( 10.740 11.682 -14.638) 21.589 ======================= Grid point 204 (74/150) ======================= q-point: ( 0.38 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.265 ( 13.692 -16.613 15.835) 26.725 4.265 ( 13.692 16.613 15.835) 26.725 5.213 ( 14.607 -33.647 13.517) 39.092 5.213 ( 14.607 33.647 13.517) 39.092 5.799 ( 2.140 -4.053 2.352) 5.152 5.799 ( 2.140 4.053 2.352) 5.152 6.526 ( -12.336 -10.392 7.608) 17.834 6.526 ( -12.336 10.392 7.608) 17.834 7.418 ( 2.477 -6.720 -14.605) 16.267 7.418 ( 2.477 6.720 -14.605) 16.267 8.024 ( 7.175 -8.477 1.915) 11.270 8.024 ( 7.175 8.477 1.915) 11.270 8.609 ( -3.200 -5.934 -1.735) 6.961 8.609 ( -3.200 5.934 -1.735) 6.961 9.171 ( 4.505 -16.140 -0.042) 16.757 9.171 ( 4.505 16.140 -0.042) 16.757 9.363 ( -7.501 -21.933 -5.311) 23.780 9.363 ( -7.501 21.933 -5.311) 23.780 9.881 ( -6.143 -5.108 -21.307) 22.755 9.881 ( -6.143 5.108 -21.307) 22.755 10.351 ( 1.723 -3.039 5.474) 6.493 10.351 ( 1.723 3.039 5.474) 6.493 11.069 ( 2.804 -7.201 1.173) 7.816 11.069 ( 2.804 7.201 1.173) 7.816 11.244 ( 4.387 -4.766 5.008) 8.188 11.244 ( 4.387 4.766 5.008) 8.188 11.659 ( 9.020 -6.591 7.283) 13.336 11.659 ( 9.020 6.591 7.283) 13.336 12.314 ( -13.622 -7.533 9.401) 18.184 12.314 ( -13.622 7.533 9.401) 18.184 12.938 ( -2.227 -5.610 7.024) 9.261 12.938 ( -2.227 5.610 7.024) 9.261 13.087 ( -6.440 -4.679 7.614) 11.015 13.087 ( -6.440 4.679 7.614) 11.015 13.990 ( 7.820 -2.086 7.324) 10.915 13.990 ( 7.820 2.086 7.324) 10.915 14.256 ( -4.263 -2.610 9.046) 10.335 14.256 ( -4.263 2.610 9.046) 10.335 15.447 ( 7.187 -3.310 4.498) 9.101 15.447 ( 7.187 3.310 4.498) 9.101 16.238 ( -3.117 -3.075 -4.295) 6.133 16.238 ( -3.117 3.075 -4.295) 6.134 16.582 ( -2.558 -10.359 -12.271) 16.261 16.582 ( -2.558 10.359 -12.271) 16.261 16.840 ( 5.102 -9.691 -5.278) 12.158 16.840 ( 5.102 9.691 -5.278) 12.158 17.331 ( -5.149 -10.623 -7.581) 14.030 17.331 ( -5.149 10.623 -7.581) 14.030 18.011 ( -0.842 -5.477 -11.225) 12.518 18.011 ( -0.842 5.477 -11.225) 12.518 18.295 ( -4.500 -1.305 -6.599) 8.094 18.295 ( -4.500 1.305 -6.599) 8.094 21.147 ( -5.036 -3.439 6.178) 8.681 21.147 ( -5.036 3.439 6.178) 8.681 21.695 ( 10.101 -1.472 0.675) 10.230 21.695 ( 10.101 1.472 0.675) 10.230 22.158 ( -7.888 -3.688 4.059) 9.608 22.158 ( -7.888 3.688 4.059) 9.608 24.164 ( 6.416 -6.154 -15.642) 17.992 24.164 ( 6.416 6.154 -15.642) 17.992 ======================= Grid point 206 (75/150) ======================= q-point: (-0.50 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.421 ( -0.000 -0.000 21.463) 21.463 4.421 ( -0.000 0.000 21.463) 21.463 5.323 ( 0.000 0.000 12.520) 12.520 5.323 ( 0.000 0.000 12.520) 12.520 5.884 ( -0.000 -0.000 -6.047) 6.047 5.884 ( -0.000 0.000 -6.047) 6.047 6.356 ( -0.000 0.000 14.785) 14.785 6.356 ( 0.000 0.000 14.785) 14.785 7.438 ( -0.000 -0.000 -17.069) 17.069 7.438 ( -0.000 0.000 -17.069) 17.069 8.151 ( -0.000 -0.000 4.112) 4.112 8.151 ( 0.000 0.000 4.112) 4.112 8.544 ( -0.000 -0.000 -4.565) 4.565 8.544 ( 0.000 0.000 -4.565) 4.565 9.224 ( 0.000 0.000 3.866) 3.866 9.224 ( 0.000 0.000 3.866) 3.866 9.289 ( 0.000 -0.000 -11.726) 11.726 9.289 ( -0.000 -0.000 -11.726) 11.726 9.786 ( 0.000 0.000 -15.439) 15.439 9.786 ( 0.000 0.000 -15.439) 15.439 10.377 ( 0.000 -0.000 2.871) 2.871 10.377 ( 0.000 0.000 2.871) 2.871 11.085 ( 0.000 -0.000 -3.941) 3.941 11.085 ( 0.000 0.000 -3.941) 3.941 11.282 ( -0.000 -0.000 8.683) 8.683 11.282 ( -0.000 0.000 8.683) 8.683 11.948 ( -0.000 0.000 10.369) 10.369 11.948 ( 0.000 0.000 10.369) 10.369 11.999 ( -0.000 0.000 8.286) 8.286 11.999 ( 0.000 0.000 8.286) 8.286 12.927 ( 0.000 0.000 8.213) 8.213 12.927 ( 0.000 0.000 8.213) 8.213 13.012 ( 0.000 -0.000 4.756) 4.756 13.012 ( 0.000 0.000 4.756) 4.756 14.113 ( 0.000 -0.000 8.069) 8.069 14.113 ( 0.000 0.000 8.069) 8.069 14.168 ( -0.000 -0.000 10.830) 10.830 14.168 ( 0.000 0.000 10.830) 10.830 15.530 ( 0.000 0.000 7.110) 7.110 15.530 ( 0.000 0.000 7.110) 7.110 16.202 ( -0.000 -0.000 -10.425) 10.425 16.202 ( -0.000 0.000 -10.425) 10.425 16.544 ( 0.000 -0.000 -9.335) 9.335 16.544 ( 0.000 0.000 -9.335) 9.335 16.919 ( 0.000 -0.000 -4.922) 4.922 16.919 ( 0.000 0.000 -4.922) 4.922 17.255 ( 0.000 0.000 -7.142) 7.142 17.255 ( -0.000 0.000 -7.142) 7.142 18.017 ( 0.000 -0.000 -15.130) 15.130 18.017 ( 0.000 0.000 -15.130) 15.130 18.240 ( -0.000 -0.000 -4.623) 4.623 18.240 ( -0.000 0.000 -4.623) 4.623 21.095 ( 0.000 0.000 6.403) 6.403 21.095 ( 0.000 0.000 6.403) 6.403 21.835 ( -0.000 -0.000 0.839) 0.839 21.835 ( 0.000 0.000 0.839) 0.839 22.043 ( -0.000 0.000 4.247) 4.247 22.043 ( 0.000 0.000 4.247) 4.247 24.229 ( 0.000 0.000 -15.860) 15.860 24.229 ( 0.000 0.000 -15.860) 15.860 ======================= Grid point 243 (76/150) ======================= q-point: ( 0.00 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( 0.000 0.000 35.941) 35.941 3.205 ( 0.000 0.000 48.861) 48.861 4.552 ( 0.000 0.000 64.351) 64.351 5.279 ( 0.000 0.000 1.299) 1.299 5.934 ( 0.000 0.000 4.433) 4.433 6.181 ( 0.000 0.000 -16.198) 16.198 6.298 ( 0.000 0.000 -20.142) 20.142 6.752 ( 0.000 0.000 -9.499) 9.499 7.195 ( 0.000 0.000 -16.979) 16.979 7.554 ( 0.000 0.000 -7.351) 7.351 7.783 ( 0.000 0.000 -16.465) 16.465 7.888 ( 0.000 0.000 1.158) 1.158 7.934 ( 0.000 0.000 -1.579) 1.579 8.242 ( 0.000 0.000 -17.525) 17.525 8.501 ( 0.000 0.000 7.672) 7.672 8.830 ( 0.000 0.000 2.340) 2.340 9.191 ( 0.000 0.000 -12.399) 12.399 9.868 ( 0.000 0.000 -23.161) 23.161 9.877 ( 0.000 0.000 3.468) 3.468 10.189 ( 0.000 0.000 13.563) 13.563 10.426 ( 0.000 0.000 -4.927) 4.927 10.516 ( 0.000 0.000 12.756) 12.756 10.557 ( 0.000 0.000 8.879) 8.879 11.029 ( 0.000 0.000 -10.970) 10.970 11.266 ( 0.000 0.000 2.594) 2.594 11.722 ( 0.000 0.000 -9.525) 9.525 11.923 ( 0.000 0.000 19.012) 19.012 12.422 ( 0.000 0.000 26.581) 26.581 12.833 ( 0.000 0.000 17.042) 17.042 13.054 ( 0.000 0.000 -5.705) 5.705 13.370 ( 0.000 0.000 12.570) 12.570 13.418 ( 0.000 0.000 -6.463) 6.463 13.550 ( 0.000 0.000 1.626) 1.626 13.701 ( 0.000 0.000 -1.229) 1.229 14.071 ( 0.000 0.000 3.883) 3.883 14.138 ( 0.000 0.000 8.975) 8.975 14.214 ( 0.000 0.000 2.977) 2.977 14.252 ( 0.000 0.000 10.755) 10.755 14.336 ( 0.000 0.000 -5.440) 5.440 14.751 ( 0.000 0.000 2.840) 2.840 15.110 ( 0.000 0.000 0.816) 0.816 15.422 ( 0.000 0.000 12.354) 12.354 16.153 ( 0.000 0.000 2.226) 2.226 16.294 ( 0.000 0.000 4.781) 4.781 16.650 ( 0.000 0.000 -18.932) 18.932 17.021 ( 0.000 0.000 -24.634) 24.634 17.197 ( 0.000 0.000 -7.056) 7.056 17.438 ( 0.000 0.000 4.934) 4.934 17.954 ( 0.000 0.000 -22.085) 22.085 18.100 ( 0.000 0.000 -14.579) 14.579 19.065 ( 0.000 0.000 -10.048) 10.048 19.250 ( 0.000 0.000 2.347) 2.347 20.335 ( 0.000 0.000 6.801) 6.801 21.251 ( 0.000 0.000 -5.759) 5.759 21.702 ( 0.000 0.000 -4.833) 4.833 22.218 ( 0.000 0.000 -5.200) 5.200 22.259 ( 0.000 0.000 -2.713) 2.713 22.683 ( 0.000 0.000 -0.533) 0.533 22.699 ( 0.000 0.000 19.350) 19.350 24.489 ( 0.000 0.000 -13.279) 13.279 ======================= Grid point 244 (77/150) ======================= q-point: ( 0.12 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.798 ( 26.956 0.000 35.557) 44.620 3.227 ( 2.767 0.000 45.484) 45.568 4.674 ( 14.505 0.000 55.650) 57.510 5.143 ( -12.403 0.000 3.142) 12.795 5.988 ( -23.645 0.000 -14.020) 27.489 6.050 ( 6.980 0.000 -8.770) 11.209 6.279 ( 12.587 0.000 -3.283) 13.008 7.001 ( 17.755 0.000 -8.667) 19.757 7.335 ( 12.852 0.000 -16.911) 21.240 7.389 ( -15.785 0.000 -20.141) 25.590 7.740 ( -2.084 0.000 7.738) 8.014 7.803 ( 1.563 0.000 -18.344) 18.410 8.028 ( 1.832 0.000 7.727) 7.941 8.414 ( 3.046 0.000 6.653) 7.317 8.610 ( 18.448 0.000 -18.095) 25.841 8.851 ( 2.367 0.000 2.216) 3.242 9.305 ( 10.463 0.000 -13.512) 17.089 9.818 ( -1.402 0.000 -13.314) 13.387 9.959 ( 4.250 0.000 -4.166) 5.951 10.137 ( -2.695 0.000 6.424) 6.967 10.398 ( -11.589 0.000 15.549) 19.393 10.520 ( 6.838 0.000 2.112) 7.157 10.614 ( 4.590 0.000 8.446) 9.613 11.006 ( -2.375 0.000 -10.700) 10.961 11.204 ( -3.424 0.000 0.868) 3.532 11.662 ( -5.309 0.000 -7.769) 9.410 12.010 ( 6.715 0.000 15.445) 16.842 12.325 ( -13.097 0.000 23.396) 26.813 12.587 ( -14.019 0.000 13.830) 19.692 12.932 ( -10.035 0.000 -5.704) 11.543 13.211 ( -7.434 0.000 13.434) 15.354 13.592 ( 0.459 0.000 -1.342) 1.419 13.596 ( 6.493 0.000 -1.957) 6.782 13.842 ( 6.322 0.000 -1.604) 6.522 14.077 ( 1.878 0.000 5.058) 5.396 14.142 ( 0.141 0.000 5.512) 5.514 14.167 ( -4.949 0.000 8.860) 10.149 14.188 ( -0.737 0.000 -2.150) 2.273 14.391 ( 3.983 0.000 5.791) 7.028 14.778 ( 2.505 0.000 3.172) 4.041 15.272 ( 15.826 0.000 1.717) 15.919 15.454 ( 3.384 0.000 10.763) 11.282 16.159 ( 0.641 0.000 0.900) 1.105 16.305 ( 0.915 0.000 4.428) 4.522 16.617 ( -3.044 0.000 -16.845) 17.118 17.039 ( 1.667 0.000 -22.845) 22.906 17.257 ( 5.618 0.000 -9.022) 10.628 17.372 ( -6.214 0.000 2.235) 6.604 17.937 ( -1.823 0.000 -22.662) 22.735 18.072 ( -2.728 0.000 -14.598) 14.851 18.789 ( -19.495 0.000 0.221) 19.496 19.186 ( -11.374 0.000 -3.403) 11.872 20.521 ( 16.737 0.000 5.307) 17.558 21.283 ( 3.334 0.000 -4.403) 5.523 21.721 ( 1.893 0.000 -4.791) 5.151 22.123 ( -8.753 0.000 -2.539) 9.113 22.234 ( -2.429 0.000 -2.828) 3.728 22.652 ( -4.925 0.000 18.153) 18.809 22.844 ( 14.732 0.000 -2.313) 14.912 24.442 ( -4.345 0.000 -13.683) 14.356 ======================= Grid point 245 (78/150) ======================= q-point: ( 0.25 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.322 ( 23.259 0.000 36.706) 43.455 3.340 ( 9.085 0.000 37.313) 38.403 4.823 ( -19.033 0.000 6.627) 20.153 5.119 ( 14.417 0.000 22.616) 26.820 5.575 ( -1.501 0.000 9.782) 9.897 6.148 ( 4.470 0.000 -20.412) 20.896 6.668 ( 22.437 0.000 8.126) 23.863 7.054 ( -15.302 0.000 -23.634) 28.156 7.299 ( 11.066 0.000 -14.361) 18.130 7.667 ( 17.321 0.000 -6.451) 18.483 7.758 ( 2.506 0.000 11.391) 11.664 7.822 ( 0.277 0.000 -18.785) 18.787 8.036 ( -0.866 0.000 8.010) 8.056 8.384 ( -3.384 0.000 15.260) 15.631 8.914 ( 5.537 0.000 0.959) 5.620 9.097 ( 24.706 0.000 -22.123) 33.163 9.541 ( 11.227 0.000 -16.305) 19.796 9.819 ( 1.288 0.000 -16.422) 16.472 10.017 ( 1.874 0.000 2.230) 2.913 10.091 ( -17.386 0.000 20.656) 26.999 10.150 ( 4.300 0.000 1.094) 4.437 10.612 ( -0.212 0.000 8.761) 8.764 10.663 ( -1.814 0.000 3.194) 3.673 10.929 ( -5.102 0.000 -10.699) 11.854 11.238 ( 8.290 0.000 -0.039) 8.290 11.556 ( -3.787 0.000 -4.003) 5.510 11.971 ( -15.383 0.000 9.258) 17.954 12.124 ( 3.599 0.000 8.777) 9.487 12.416 ( -6.745 0.000 17.038) 18.324 12.722 ( -9.799 0.000 -4.963) 10.984 13.041 ( -10.627 0.000 16.843) 19.915 13.444 ( -15.222 0.000 -8.226) 17.302 13.633 ( -1.279 0.000 -2.233) 2.573 13.858 ( -3.152 0.000 2.311) 3.908 14.092 ( -0.410 0.000 5.839) 5.853 14.106 ( 2.411 0.000 3.027) 3.870 14.199 ( 2.773 0.000 14.897) 15.153 14.244 ( 2.977 0.000 -4.000) 4.987 14.489 ( 6.380 0.000 11.964) 13.558 14.838 ( 2.911 0.000 5.791) 6.482 15.564 ( 7.949 0.000 7.878) 11.191 15.690 ( 23.999 0.000 -0.233) 24.000 16.182 ( 1.758 0.000 -2.666) 3.194 16.310 ( -1.199 0.000 3.951) 4.129 16.538 ( -4.649 0.000 -13.951) 14.705 17.051 ( -3.367 0.000 -9.477) 10.058 17.248 ( -2.442 0.000 -13.633) 13.850 17.398 ( 8.052 0.000 -11.842) 14.320 17.878 ( -4.171 0.000 -24.146) 24.503 17.993 ( -5.073 0.000 -14.624) 15.479 18.423 ( -15.803 0.000 4.346) 16.390 18.842 ( -20.590 0.000 0.570) 20.598 20.901 ( 19.376 0.000 2.339) 19.517 21.387 ( 7.263 0.000 -0.226) 7.266 21.775 ( 3.548 0.000 -4.651) 5.850 21.912 ( -11.430 0.000 0.787) 11.457 22.166 ( -4.290 0.000 -3.141) 5.317 22.488 ( -11.388 0.000 17.288) 20.701 23.206 ( 20.000 0.000 -6.546) 21.044 24.329 ( -6.926 0.000 -14.198) 15.798 ======================= Grid point 246 (79/150) ======================= q-point: ( 0.38 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.595 ( 16.313 0.000 27.624) 32.081 3.757 ( 22.013 0.000 30.349) 37.492 4.408 ( -21.989 0.000 11.678) 24.898 4.774 ( -27.572 0.000 6.217) 28.264 6.262 ( 7.280 0.000 -22.291) 23.450 6.295 ( 48.476 0.000 21.319) 52.957 6.696 ( -13.688 0.000 -20.808) 24.906 7.192 ( 21.979 0.000 5.586) 22.678 7.445 ( 1.544 0.000 -18.413) 18.478 7.747 ( -2.846 0.000 -13.875) 14.164 7.770 ( -3.905 0.000 9.099) 9.902 7.920 ( 1.514 0.000 7.938) 8.081 8.034 ( 2.899 0.000 12.520) 12.851 8.297 ( -5.618 0.000 16.579) 17.505 9.048 ( 8.286 0.000 3.841) 9.133 9.447 ( 0.992 0.000 -12.350) 12.390 9.715 ( 6.819 0.000 -16.982) 18.300 9.852 ( 1.284 0.000 -20.734) 20.774 9.880 ( 5.834 0.000 12.492) 13.787 10.068 ( 3.436 0.000 2.664) 4.348 10.272 ( 5.257 0.000 5.105) 7.328 10.479 ( -7.780 0.000 2.106) 8.060 10.522 ( -11.819 0.000 -2.256) 12.032 10.800 ( -8.971 0.000 -13.728) 16.399 11.508 ( 17.110 0.000 -0.090) 17.110 11.584 ( 6.525 0.000 2.801) 7.101 11.811 ( -2.539 0.000 5.346) 5.919 12.105 ( -6.874 0.000 1.068) 6.957 12.297 ( -2.971 0.000 13.578) 13.899 12.607 ( 0.139 0.000 -2.551) 2.555 12.763 ( -17.071 0.000 15.476) 23.042 13.075 ( -19.432 0.000 -7.850) 20.958 13.633 ( 2.231 0.000 -0.744) 2.352 13.781 ( -3.724 0.000 -4.039) 5.494 14.118 ( 2.450 0.000 8.608) 8.950 14.157 ( 1.999 0.000 6.456) 6.759 14.217 ( -1.015 0.000 12.057) 12.100 14.249 ( -2.011 0.000 3.667) 4.182 14.647 ( 8.735 0.000 16.425) 18.603 14.866 ( -0.645 0.000 11.023) 11.042 15.763 ( 11.680 0.000 4.811) 12.632 16.141 ( 14.297 0.000 2.836) 14.575 16.235 ( 3.708 0.000 -7.181) 8.082 16.248 ( 0.537 0.000 -1.012) 1.145 16.436 ( -5.478 0.000 -12.281) 13.447 16.869 ( -12.544 0.000 -2.904) 12.876 17.339 ( 9.231 0.000 -23.319) 25.079 17.564 ( 8.394 0.000 -13.509) 15.904 17.761 ( -7.891 0.000 -25.799) 26.979 17.874 ( -6.790 0.000 -14.566) 16.071 18.198 ( -5.990 0.000 4.871) 7.721 18.447 ( -17.448 0.000 5.152) 18.193 21.239 ( 14.002 0.000 0.749) 14.022 21.578 ( 10.405 0.000 8.549) 13.467 21.698 ( -8.150 0.000 -0.699) 8.179 21.859 ( 4.766 0.000 -4.392) 6.481 22.069 ( -5.278 0.000 -3.571) 6.373 22.216 ( -15.413 0.000 14.591) 21.224 23.596 ( 18.415 0.000 -9.700) 20.813 24.163 ( -9.966 0.000 -13.631) 16.885 ======================= Grid point 247 (80/150) ======================= q-point: (-0.50 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.973 ( -21.052 0.000 18.724) 28.174 3.973 ( 21.052 0.000 18.724) 28.174 4.233 ( -25.878 0.000 18.356) 31.728 4.233 ( 25.878 0.000 18.356) 31.728 6.444 ( -11.052 0.000 -22.548) 25.111 6.444 ( 11.052 0.000 -22.548) 25.111 7.148 ( -32.380 0.000 -0.243) 32.381 7.148 ( 32.380 0.000 -0.243) 32.381 7.573 ( -15.147 0.000 6.666) 16.549 7.573 ( 15.147 0.000 6.666) 16.549 7.808 ( -8.113 0.000 1.124) 8.191 7.808 ( 8.113 0.000 1.124) 8.191 8.158 ( -7.810 0.000 16.557) 18.307 8.158 ( 7.810 0.000 16.557) 18.307 9.252 ( -12.187 0.000 4.741) 13.076 9.252 ( 12.187 0.000 4.741) 13.076 9.829 ( -4.025 0.000 -20.154) 20.552 9.829 ( 4.025 0.000 -20.154) 20.552 10.179 ( -8.109 0.000 7.458) 11.017 10.179 ( 8.109 0.000 7.458) 11.017 10.210 ( -18.784 0.000 -3.827) 19.170 10.210 ( 18.784 0.000 -3.827) 19.170 10.580 ( -11.796 0.000 -13.207) 17.708 10.580 ( 11.796 0.000 -13.207) 17.708 11.733 ( -6.736 0.000 7.618) 10.169 11.733 ( 6.736 0.000 7.618) 10.169 11.857 ( -16.481 0.000 -1.370) 16.538 11.857 ( 16.481 0.000 -1.370) 16.538 12.418 ( -14.833 0.000 11.534) 18.790 12.418 ( 14.833 0.000 11.534) 18.790 12.743 ( -12.656 0.000 -4.146) 13.317 12.743 ( 12.656 0.000 -4.146) 13.317 13.706 ( -4.109 0.000 -3.567) 5.441 13.706 ( 4.109 0.000 -3.567) 5.441 14.174 ( -2.849 0.000 10.080) 10.475 14.174 ( 2.849 0.000 10.080) 10.475 14.197 ( -2.458 0.000 7.983) 8.353 14.197 ( 2.458 0.000 7.983) 8.353 14.800 ( -5.896 0.000 15.672) 16.745 14.800 ( 5.896 0.000 15.672) 16.745 16.007 ( -12.035 0.000 4.816) 12.962 16.007 ( 12.035 0.000 4.816) 12.962 16.327 ( -5.294 0.000 -10.557) 11.810 16.327 ( 5.294 0.000 -10.557) 11.810 16.575 ( -17.164 0.000 -4.435) 17.728 16.575 ( 17.164 0.000 -4.435) 17.728 17.560 ( -11.769 0.000 -24.781) 27.434 17.560 ( 11.769 0.000 -24.781) 27.434 17.727 ( -7.866 0.000 -14.278) 16.302 17.727 ( 7.866 0.000 -14.278) 16.302 18.201 ( -6.414 0.000 5.723) 8.596 18.201 ( 6.414 0.000 5.723) 8.596 21.473 ( -10.252 0.000 2.322) 10.512 21.473 ( 10.252 0.000 2.322) 10.512 21.896 ( -16.091 0.000 9.803) 18.842 21.896 ( 16.091 0.000 9.803) 18.842 21.961 ( -5.390 0.000 -4.016) 6.722 21.961 ( 5.390 0.000 -4.016) 6.722 23.923 ( -14.234 0.000 -12.003) 18.620 23.923 ( 14.234 0.000 -12.003) 18.620 ======================= Grid point 252 (81/150) ======================= q-point: ( 0.00 0.12 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( 0.000 8.797 32.817) 33.975 3.122 ( 0.000 -4.546 49.799) 50.006 4.850 ( 0.000 23.552 48.502) 53.918 5.338 ( 0.000 7.320 7.310) 10.345 5.645 ( 0.000 -24.950 1.529) 24.997 6.196 ( 0.000 1.817 -10.842) 10.993 6.413 ( 0.000 11.017 -19.986) 22.822 6.830 ( 0.000 -3.032 -5.620) 6.385 7.159 ( 0.000 6.087 -15.837) 16.967 7.422 ( 0.000 -13.630 0.008) 13.630 7.585 ( 0.000 -11.464 -20.309) 23.321 8.061 ( 0.000 14.227 1.207) 14.278 8.106 ( 0.000 14.290 -5.569) 15.336 8.386 ( 0.000 7.698 -8.527) 11.488 8.502 ( 0.000 2.259 1.713) 2.835 8.831 ( 0.000 -0.184 -1.103) 1.118 9.157 ( 0.000 -3.366 -13.013) 13.441 9.900 ( 0.000 4.365 -25.045) 25.422 9.904 ( 0.000 1.910 2.373) 3.046 10.122 ( 0.000 -6.725 14.034) 15.562 10.377 ( 0.000 -3.005 -3.599) 4.688 10.570 ( 0.000 2.723 12.598) 12.889 10.620 ( 0.000 5.682 8.572) 10.284 10.972 ( 0.000 -5.353 -8.611) 10.139 11.285 ( 0.000 1.551 2.389) 2.848 11.649 ( 0.000 -6.961 -6.234) 9.344 11.815 ( 0.000 -9.360 19.810) 21.910 12.498 ( 0.000 6.317 18.519) 19.566 12.660 ( 0.000 -14.407 12.131) 18.834 13.081 ( 0.000 2.363 0.089) 2.365 13.276 ( 0.000 -8.144 14.378) 16.524 13.422 ( 0.000 0.573 -6.938) 6.961 13.583 ( 0.000 -1.070 3.366) 3.532 13.724 ( 0.000 2.419 0.401) 2.452 13.980 ( 0.000 -5.777 4.632) 7.404 14.007 ( 0.000 -6.058 15.647) 16.778 14.300 ( 0.000 1.360 -10.748) 10.834 14.400 ( 0.000 2.306 3.120) 3.880 14.500 ( 0.000 15.489 1.413) 15.553 14.694 ( 0.000 7.137 6.428) 9.605 15.139 ( 0.000 3.469 1.495) 3.777 15.640 ( 0.000 18.155 8.257) 19.944 16.209 ( 0.000 4.887 0.777) 4.949 16.368 ( 0.000 7.454 4.045) 8.481 16.609 ( 0.000 -3.955 -18.613) 19.028 16.987 ( 0.000 -3.593 -22.792) 23.073 17.170 ( 0.000 -2.706 -3.311) 4.276 17.503 ( 0.000 6.729 2.545) 7.194 17.940 ( 0.000 -1.513 -21.723) 21.776 18.088 ( 0.000 -1.293 -13.948) 14.008 18.923 ( 0.000 -13.412 -7.953) 15.593 19.185 ( 0.000 -6.581 2.050) 6.893 20.390 ( 0.000 6.118 5.817) 8.442 21.250 ( 0.000 0.010 -5.706) 5.706 21.719 ( 0.000 0.820 -3.943) 4.027 22.229 ( 0.000 1.141 -5.010) 5.138 22.328 ( 0.000 5.225 -1.152) 5.350 22.659 ( 0.000 -2.398 -0.704) 2.499 22.668 ( 0.000 -1.530 15.418) 15.494 24.370 ( 0.000 -11.288 -12.541) 16.873 ======================= Grid point 253 (82/150) ======================= q-point: ( 0.12 0.12 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.874 ( 24.807 8.123 33.049) 42.114 3.189 ( 9.124 -1.455 44.658) 45.604 4.929 ( 9.017 19.168 40.481) 45.689 5.206 ( -11.591 8.314 10.016) 17.429 5.770 ( 7.351 -19.020 -0.733) 20.404 6.148 ( -5.363 7.070 -10.778) 13.961 6.324 ( -0.852 7.684 -10.975) 13.425 7.025 ( 12.081 -12.383 -7.862) 19.002 7.200 ( 1.859 -0.567 -15.373) 15.495 7.387 ( 1.252 0.480 -9.068) 9.166 7.582 ( 0.756 -11.167 -9.370) 14.597 7.936 ( -3.620 11.656 -7.088) 14.114 8.192 ( 0.432 14.403 3.549) 14.840 8.388 ( 0.125 -1.417 8.093) 8.217 8.707 ( 15.415 4.017 -13.234) 20.709 8.832 ( 3.431 0.520 -4.121) 5.388 9.285 ( 10.977 -2.678 -12.215) 16.639 9.871 ( -1.760 4.635 -17.227) 17.927 9.933 ( 1.430 -1.684 -0.899) 2.385 10.081 ( -2.037 -4.891 4.725) 7.100 10.355 ( -5.030 -2.771 6.351) 8.562 10.588 ( 3.235 4.348 9.133) 10.620 10.660 ( 2.264 3.948 9.325) 10.376 10.937 ( -2.985 -5.934 -8.108) 10.482 11.257 ( -0.463 4.295 0.379) 4.337 11.595 ( -4.311 -6.675 -4.080) 8.932 11.899 ( 6.376 -9.554 17.178) 20.664 12.322 ( -21.845 -5.158 13.936) 26.420 12.516 ( -3.606 0.145 11.148) 11.718 13.038 ( -7.806 6.914 0.533) 10.441 13.159 ( -6.599 -5.237 12.228) 14.849 13.472 ( 1.545 -6.388 1.113) 6.666 13.642 ( 2.496 -0.973 -2.134) 3.425 13.815 ( 4.984 -0.914 1.337) 5.240 13.954 ( -0.551 -6.791 10.862) 12.822 14.036 ( 0.770 -7.592 6.453) 9.993 14.222 ( -3.874 3.380 -1.137) 5.265 14.399 ( -1.348 6.409 3.536) 7.443 14.499 ( 2.246 13.385 -0.185) 13.574 14.773 ( 6.656 4.833 3.485) 8.934 15.325 ( 17.157 6.006 1.038) 18.207 15.644 ( 0.614 16.453 7.753) 18.198 16.210 ( 0.142 4.385 -0.606) 4.429 16.358 ( -1.156 4.969 3.782) 6.351 16.593 ( -1.535 -1.901 -16.243) 16.426 17.004 ( 1.518 -3.587 -21.030) 21.388 17.213 ( 3.860 -3.968 -4.661) 7.236 17.446 ( -5.133 7.008 -0.616) 8.709 17.922 ( -1.897 -1.513 -22.245) 22.377 18.058 ( -2.958 -1.588 -13.878) 14.278 18.720 ( -16.046 -7.440 -2.007) 17.801 19.081 ( -11.743 -9.239 -0.665) 14.956 20.564 ( 15.490 4.692 4.325) 16.752 21.288 ( 3.736 0.441 -4.381) 5.775 21.721 ( 0.544 -0.401 -3.478) 3.543 22.096 ( -10.264 -1.993 -1.128) 10.516 22.301 ( -3.475 4.793 -1.823) 6.194 22.632 ( -3.905 -1.896 15.647) 16.238 22.848 ( 16.213 1.309 -4.261) 16.814 24.341 ( -2.830 -9.761 -13.475) 16.877 ======================= Grid point 254 (83/150) ======================= q-point: ( 0.25 0.12 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.260 ( 16.684 2.952 34.444) 38.385 3.567 ( 22.517 13.852 34.803) 43.706 4.873 ( -16.925 3.999 6.885) 18.704 5.266 ( 9.170 14.169 19.335) 25.666 5.672 ( -0.809 8.643 10.664) 13.750 6.206 ( 7.377 4.649 -15.422) 17.716 6.516 ( 19.314 -10.533 3.480) 22.273 6.965 ( -12.572 -5.536 -17.205) 22.017 7.298 ( 7.511 -14.141 -14.826) 21.822 7.607 ( 0.888 -12.610 -1.365) 12.714 7.663 ( 19.611 9.156 -2.720) 21.814 7.897 ( -1.362 7.096 -7.099) 10.129 8.164 ( -2.331 10.998 4.042) 11.947 8.369 ( -2.344 -0.773 12.344) 12.588 8.838 ( 4.954 -5.822 -0.176) 7.646 9.136 ( 17.035 1.645 -18.904) 25.500 9.510 ( 9.722 -4.897 -9.405) 14.386 9.834 ( -1.509 -1.104 -16.200) 16.307 9.965 ( 2.331 0.932 -0.626) 2.587 10.084 ( 2.328 -5.188 -2.375) 6.162 10.197 ( -8.293 6.333 12.017) 15.915 10.629 ( -0.983 0.314 8.109) 8.175 10.658 ( -4.124 0.012 6.881) 8.022 10.872 ( -3.850 -3.626 -7.709) 9.348 11.325 ( 7.132 6.689 0.933) 9.822 11.551 ( 2.342 -1.026 -0.761) 2.668 11.870 ( -16.993 -7.371 4.516) 19.065 12.026 ( 3.280 -10.300 12.526) 16.546 12.437 ( -5.160 3.511 11.190) 12.813 12.830 ( -10.535 7.997 0.011) 13.226 13.034 ( -7.870 -0.900 15.161) 17.105 13.401 ( -8.872 -5.762 -2.010) 10.768 13.565 ( -7.958 -4.031 -3.945) 9.754 13.774 ( -10.457 -7.453 4.687) 13.670 13.984 ( 6.115 -2.425 8.549) 10.786 14.103 ( 5.245 -7.973 1.837) 9.718 14.237 ( 3.175 3.345 12.226) 13.067 14.358 ( -1.941 9.177 4.922) 10.593 14.617 ( 8.551 13.525 2.296) 16.166 14.913 ( 6.456 6.424 1.906) 9.305 15.673 ( 3.907 9.681 5.016) 11.582 15.750 ( 22.394 7.052 0.777) 23.491 16.219 ( 1.093 3.293 -3.973) 5.275 16.309 ( -4.131 -0.549 3.194) 5.251 16.551 ( -2.655 1.893 -12.469) 12.888 17.020 ( -1.669 -3.104 -12.170) 12.670 17.254 ( -1.065 -0.885 -8.440) 8.553 17.402 ( 4.302 1.866 -10.993) 11.952 17.859 ( -4.548 -1.735 -23.384) 23.885 17.974 ( -5.246 -2.246 -13.771) 14.907 18.405 ( -13.984 -2.277 0.815) 14.191 18.755 ( -19.141 -7.851 1.629) 20.753 20.914 ( 17.689 1.513 2.070) 17.874 21.399 ( 7.421 1.170 -0.231) 7.516 21.751 ( 2.475 -2.412 -2.863) 4.488 21.874 ( -11.301 -3.541 1.191) 11.902 22.208 ( -5.520 3.308 -0.656) 6.469 22.494 ( -9.769 0.483 14.277) 17.306 23.223 ( 19.995 2.050 -8.181) 21.701 24.262 ( -5.115 -6.496 -14.735) 16.896 ======================= Grid point 255 (84/150) ======================= q-point: ( 0.38 0.12 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.657 ( 23.000 8.434 24.826) 34.878 3.951 ( 17.455 16.707 30.269) 38.730 4.511 ( -18.702 9.629 13.554) 25.024 4.913 ( -28.234 13.833 4.991) 31.834 6.189 ( 24.656 -2.857 3.823) 25.113 6.442 ( 25.511 9.307 -4.284) 27.492 6.702 ( -12.449 -0.460 -17.819) 21.742 6.941 ( 19.919 -16.927 0.705) 26.149 7.418 ( 2.163 -9.067 -8.536) 12.639 7.566 ( -5.727 -13.914 0.491) 15.054 7.865 ( -0.728 7.650 -4.372) 8.841 7.963 ( 6.943 3.321 4.553) 8.942 8.132 ( 0.306 7.162 7.654) 10.487 8.281 ( -6.354 0.510 14.063) 15.440 8.984 ( 9.447 -4.326 2.565) 10.702 9.312 ( -0.240 -10.494 -10.270) 14.685 9.662 ( 6.649 -8.202 -10.551) 14.927 9.815 ( -0.502 1.703 -20.695) 20.771 10.001 ( -0.912 -4.307 1.974) 4.824 10.095 ( -2.652 8.198 4.798) 9.862 10.196 ( 8.757 -4.330 -3.467) 10.366 10.498 ( -6.222 4.724 5.975) 9.836 10.560 ( -5.469 -1.867 -0.115) 5.780 10.754 ( -8.278 -0.568 -7.673) 11.302 11.502 ( 9.098 -0.239 1.615) 9.243 11.621 ( -2.352 -1.129 -1.190) 2.867 11.779 ( 12.533 1.654 4.555) 13.437 12.083 ( 2.964 -4.555 8.154) 9.799 12.314 ( -6.406 3.364 9.415) 11.874 12.676 ( -5.013 4.625 3.679) 7.749 12.795 ( -14.523 4.585 10.263) 18.365 13.118 ( -17.876 3.423 -5.796) 19.101 13.465 ( -0.366 -14.863 -1.607) 14.954 13.608 ( -5.885 -12.590 4.416) 14.583 14.081 ( 3.814 -1.432 10.801) 11.544 14.173 ( 1.005 -2.089 7.671) 8.013 14.294 ( 2.062 4.889 9.772) 11.119 14.332 ( -0.808 7.680 7.305) 10.630 14.801 ( 9.165 15.096 6.767) 18.913 14.996 ( 1.246 11.271 4.024) 12.032 15.782 ( 7.592 1.984 4.963) 9.285 16.128 ( 1.529 -1.935 5.938) 6.430 16.244 ( 8.001 0.959 -3.882) 8.945 16.270 ( 6.252 2.795 -8.590) 10.986 16.480 ( -4.514 4.117 -10.380) 12.045 16.879 ( -11.273 0.760 -4.312) 12.093 17.319 ( 8.003 -1.908 -19.610) 21.266 17.544 ( 8.327 -1.875 -12.346) 15.009 17.732 ( -8.376 -2.589 -24.194) 25.733 17.856 ( -6.573 -2.377 -13.653) 15.338 18.200 ( -6.058 -0.107 0.687) 6.098 18.391 ( -15.717 -4.854 4.297) 17.002 21.222 ( 12.882 -1.558 1.325) 13.043 21.564 ( 4.967 -1.467 8.726) 10.148 21.680 ( -3.867 -1.645 -2.043) 4.672 21.819 ( 3.692 -3.124 -1.498) 5.063 22.092 ( -5.651 2.303 0.565) 6.129 22.265 ( -12.432 3.662 9.867) 16.289 23.606 ( 17.737 1.076 -11.003) 20.901 24.129 ( -8.485 -3.291 -14.536) 17.150 ======================= Grid point 256 (85/150) ======================= q-point: (-0.50 0.12 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.113 ( -20.319 13.439 18.753) 30.743 4.113 ( 20.319 13.439 18.753) 30.743 4.365 ( -24.007 13.080 17.737) 32.589 4.365 ( 24.007 13.080 17.737) 32.589 6.460 ( -11.035 0.944 -17.777) 20.945 6.460 ( 11.035 0.944 -17.777) 20.945 7.077 ( -20.319 -8.657 -2.259) 22.201 7.077 ( 20.319 -8.657 -2.259) 22.201 7.393 ( -7.234 -9.826 5.368) 13.330 7.393 ( 7.234 -9.826 5.368) 13.330 7.929 ( -6.742 5.719 2.521) 9.193 7.929 ( 6.742 5.719 2.521) 9.193 8.178 ( -3.508 2.299 12.704) 13.378 8.178 ( 3.508 2.299 12.704) 13.378 9.190 ( -10.070 -5.374 1.219) 11.479 9.190 ( 10.070 -5.374 1.219) 11.479 9.785 ( -4.656 -7.775 -21.742) 23.555 9.785 ( 4.656 -7.775 -21.742) 23.555 9.994 ( -3.633 -2.486 5.936) 7.390 9.994 ( 3.633 -2.486 5.936) 7.390 10.396 ( -9.697 -2.808 -3.629) 10.728 10.396 ( 9.697 -2.808 -3.629) 10.728 10.571 ( -8.828 7.713 -4.995) 12.743 10.571 ( 8.828 7.713 -4.995) 12.743 11.600 ( -0.810 -7.017 1.443) 7.209 11.600 ( 0.810 -7.017 1.443) 7.209 12.040 ( -10.692 11.324 5.159) 16.407 12.040 ( 10.692 11.324 5.159) 16.407 12.389 ( -16.743 -2.571 11.394) 20.415 12.389 ( 16.743 -2.571 11.394) 20.415 12.802 ( -11.362 5.517 -3.589) 13.130 12.802 ( 11.362 5.517 -3.589) 13.130 13.513 ( -4.009 -15.496 1.370) 16.064 13.513 ( 4.009 -15.496 1.370) 16.064 14.149 ( -2.864 -0.004 11.053) 11.418 14.149 ( 2.864 -0.004 11.053) 11.418 14.318 ( -0.712 6.608 8.639) 10.900 14.318 ( 0.712 6.608 8.639) 10.900 14.953 ( -5.402 14.557 7.024) 17.042 14.953 ( 5.402 14.557 7.024) 17.042 15.965 ( -10.163 -3.974 5.064) 12.030 15.965 ( 10.163 -3.974 5.064) 12.030 16.356 ( -5.468 2.744 -9.563) 11.353 16.356 ( 5.468 2.744 -9.563) 11.353 16.606 ( -15.879 2.990 -5.020) 16.920 16.606 ( 15.879 2.990 -5.020) 16.920 17.527 ( -11.531 -3.207 -22.622) 25.593 17.527 ( 11.531 -3.207 -22.622) 25.593 17.711 ( -7.996 -2.005 -12.711) 15.150 17.711 ( 7.996 -2.005 -12.711) 15.150 18.181 ( -4.678 -1.572 2.488) 5.527 18.181 ( 4.678 -1.572 2.488) 5.527 21.439 ( -9.540 -3.392 3.144) 10.602 21.439 ( 9.540 -3.392 3.144) 10.602 21.819 ( -6.813 -3.294 3.966) 8.544 21.819 ( 6.813 -3.294 3.966) 8.544 22.059 ( -5.545 5.462 1.877) 8.006 22.059 ( 5.545 5.462 1.877) 8.006 23.915 ( -13.151 -0.752 -13.097) 18.576 23.915 ( 13.151 -0.752 -13.097) 18.576 ======================= Grid point 261 (86/150) ======================= q-point: ( 0.00 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.819 ( 0.000 17.505 25.012) 30.529 3.155 ( 0.000 9.435 42.347) 43.386 5.019 ( 0.000 -9.662 4.793) 10.786 5.074 ( 0.000 -32.062 0.529) 32.067 5.769 ( 0.000 34.788 35.396) 49.630 6.273 ( 0.000 6.960 -3.362) 7.730 6.612 ( 0.000 -13.672 -2.639) 13.924 6.689 ( 0.000 16.195 -16.322) 22.993 7.029 ( 0.000 -21.606 2.847) 21.793 7.488 ( 0.000 19.420 -10.156) 21.915 7.493 ( 0.000 2.817 -20.069) 20.266 8.273 ( 0.000 -3.085 -12.048) 12.436 8.313 ( 0.000 10.254 11.040) 15.067 8.505 ( 0.000 3.826 2.938) 4.824 8.652 ( 0.000 11.454 -7.901) 13.914 8.856 ( 0.000 7.255 -5.983) 9.404 9.094 ( 0.000 -0.821 -14.949) 14.971 9.871 ( 0.000 -9.360 1.050) 9.419 9.969 ( 0.000 -5.774 10.976) 12.402 10.037 ( 0.000 6.717 -28.205) 28.994 10.339 ( 0.000 -0.004 -7.019) 7.019 10.572 ( 0.000 -2.605 16.798) 16.998 10.753 ( 0.000 7.745 9.779) 12.474 10.855 ( 0.000 -5.312 -0.801) 5.372 11.302 ( 0.000 -1.304 2.099) 2.471 11.490 ( 0.000 -7.157 0.753) 7.196 11.607 ( 0.000 -11.386 18.534) 21.752 12.374 ( 0.000 -13.534 4.391) 14.229 12.637 ( 0.000 7.743 7.318) 10.654 13.064 ( 0.000 -12.868 11.133) 17.015 13.114 ( 0.000 0.056 3.986) 3.987 13.448 ( 0.000 -12.184 2.695) 12.478 13.454 ( 0.000 3.091 -2.227) 3.810 13.796 ( 0.000 4.526 4.654) 6.492 13.902 ( 0.000 -1.686 6.295) 6.516 13.913 ( 0.000 -3.760 15.293) 15.749 14.261 ( 0.000 -9.022 10.137) 13.570 14.302 ( 0.000 -1.375 -7.418) 7.544 14.817 ( 0.000 15.925 -2.521) 16.123 15.108 ( 0.000 26.437 -4.953) 26.897 15.263 ( 0.000 8.913 3.038) 9.416 16.030 ( 0.000 20.542 5.252) 21.203 16.291 ( 0.000 2.053 -2.658) 3.359 16.511 ( 0.000 -5.439 -18.770) 19.542 16.574 ( 0.000 13.166 2.002) 13.317 16.879 ( 0.000 -7.368 -20.744) 22.014 17.097 ( 0.000 -4.482 4.761) 6.538 17.698 ( 0.000 12.958 -0.589) 12.971 17.877 ( 0.000 -6.180 -18.321) 19.335 18.057 ( 0.000 -1.035 -13.292) 13.332 18.612 ( 0.000 -16.323 -5.703) 17.290 18.997 ( 0.000 -12.488 1.243) 12.550 20.580 ( 0.000 12.873 2.288) 13.075 21.250 ( 0.000 -0.178 -5.724) 5.726 21.716 ( 0.000 -0.863 0.087) 0.868 22.263 ( 0.000 2.410 -4.477) 5.085 22.294 ( 0.000 -9.969 12.702) 16.147 22.594 ( 0.000 -4.184 -1.193) 4.351 22.780 ( 0.000 13.454 -3.655) 13.941 24.093 ( 0.000 -16.051 -12.141) 20.126 ======================= Grid point 262 (87/150) ======================= q-point: ( 0.12 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.135 ( 21.791 18.966 26.079) 38.919 3.251 ( 16.556 8.571 37.158) 41.572 4.962 ( -2.363 -15.523 3.835) 16.163 5.324 ( 18.758 -18.395 3.336) 26.483 5.712 ( -3.060 30.202 31.442) 43.705 6.282 ( 0.607 6.733 -2.609) 7.247 6.582 ( -7.788 16.078 -7.403) 19.338 6.685 ( 3.993 -14.108 -9.540) 17.493 7.017 ( -1.524 -17.598 -2.054) 17.783 7.397 ( -3.729 0.496 -8.443) 9.243 7.644 ( 10.504 15.419 -14.172) 23.429 8.155 ( -5.315 6.247 -10.737) 13.512 8.379 ( 1.874 3.541 12.427) 13.057 8.459 ( -3.646 4.676 3.412) 6.841 8.769 ( 1.077 10.611 -9.876) 14.535 8.871 ( 10.534 1.073 -9.473) 14.208 9.214 ( 9.193 -2.624 -11.932) 15.290 9.800 ( -6.014 -10.565 1.042) 12.201 9.935 ( -1.893 -4.103 2.673) 5.250 10.080 ( 2.888 5.381 -24.479) 25.229 10.313 ( -2.527 -0.875 -1.683) 3.160 10.620 ( 4.189 -1.515 13.840) 14.539 10.728 ( -5.266 1.467 10.706) 12.021 10.857 ( 2.446 1.370 -0.344) 2.824 11.325 ( 3.670 -0.061 0.821) 3.761 11.434 ( -3.600 -6.669 3.702) 8.435 11.678 ( 5.040 -12.654 16.877) 21.688 12.166 ( -17.804 -7.394 2.460) 19.435 12.610 ( -3.047 6.438 8.492) 11.083 12.977 ( -2.401 -10.774 6.655) 12.889 13.161 ( -6.939 3.170 6.847) 10.251 13.344 ( 0.547 -7.247 1.734) 7.472 13.575 ( 2.896 -4.595 -1.099) 5.541 13.809 ( -3.717 -2.549 8.084) 9.256 13.860 ( 2.626 -1.158 12.942) 13.256 13.909 ( -1.733 -3.559 4.632) 6.093 14.259 ( 1.235 -0.427 6.875) 6.998 14.367 ( 4.887 -2.365 0.951) 5.512 14.857 ( 4.178 15.258 -3.077) 16.117 14.997 ( -3.249 17.502 -2.278) 17.946 15.525 ( 18.341 13.901 -1.000) 23.036 16.006 ( -2.240 19.135 4.498) 19.784 16.276 ( -1.403 1.091 -5.092) 5.394 16.443 ( -5.168 1.278 -4.098) 6.718 16.607 ( 1.348 5.490 -10.757) 12.152 16.907 ( 2.645 -5.562 -17.174) 18.245 17.113 ( 1.654 -6.065 2.842) 6.899 17.635 ( -5.769 11.934 -3.345) 13.671 17.861 ( -1.783 -5.885 -18.171) 19.183 18.018 ( -3.789 -1.416 -13.142) 13.751 18.511 ( -8.882 -12.345 -5.005) 16.010 18.876 ( -11.391 -11.516 1.016) 16.229 20.710 ( 11.660 10.180 1.795) 15.583 21.298 ( 4.743 0.495 -4.488) 6.549 21.697 ( -1.287 -1.872 0.353) 2.299 22.032 ( -13.513 -5.548 3.622) 15.050 22.352 ( -1.834 0.286 3.240) 3.734 22.583 ( -1.805 -3.190 6.438) 7.408 22.951 ( 15.255 9.893 -9.091) 20.328 24.097 ( 0.309 -14.291 -13.758) 19.840 ======================= Grid point 263 (88/150) ======================= q-point: ( 0.25 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.453 ( 19.142 16.039 28.810) 38.127 3.864 ( 31.064 17.194 27.695) 45.029 4.893 ( -5.497 -4.638 8.747) 11.324 5.576 ( 1.496 11.285 6.019) 12.877 5.808 ( 10.120 4.808 16.942) 20.312 6.271 ( 3.443 3.581 -0.867) 5.043 6.518 ( 5.910 11.520 -1.824) 13.075 6.733 ( -1.502 -16.929 -6.311) 18.130 7.005 ( 2.814 -11.547 -13.948) 18.324 7.358 ( -1.001 -8.589 0.460) 8.659 7.845 ( 6.481 5.207 -10.032) 13.029 8.105 ( 0.905 12.001 -10.652) 16.072 8.343 ( -4.468 1.807 8.006) 9.345 8.414 ( -1.660 9.431 7.089) 11.915 8.796 ( 4.986 3.802 -3.084) 6.988 9.090 ( 5.730 -5.926 -10.866) 13.639 9.381 ( 6.856 -6.109 -10.369) 13.850 9.716 ( -0.785 -9.486 -8.664) 12.871 9.887 ( -2.656 -9.296 -1.611) 9.801 10.115 ( -0.716 3.595 -15.367) 15.798 10.272 ( -0.764 -1.802 0.109) 1.960 10.609 ( -4.978 4.175 6.742) 9.364 10.674 ( -0.358 -0.278 10.434) 10.444 10.885 ( -0.984 5.122 3.175) 6.106 11.412 ( 2.318 -2.648 5.602) 6.616 11.472 ( 9.795 -2.744 0.969) 10.218 11.763 ( 1.556 -14.031 12.374) 18.772 11.825 ( -9.662 2.057 1.760) 10.034 12.521 ( -5.453 3.606 8.813) 10.973 12.949 ( -6.047 -2.347 0.990) 6.562 12.981 ( -3.865 0.514 11.683) 12.317 13.264 ( -9.633 -5.112 3.322) 11.400 13.517 ( -7.691 -2.435 0.839) 8.111 13.609 ( -15.374 -8.321 6.549) 18.668 13.967 ( 5.737 -0.273 11.130) 12.525 13.983 ( 9.341 -2.806 4.772) 10.858 14.311 ( 3.253 3.772 10.068) 11.233 14.442 ( 1.639 1.293 7.936) 8.206 14.982 ( 8.384 19.221 -6.241) 21.879 15.048 ( 7.558 8.404 -1.626) 11.419 15.869 ( 8.327 10.463 -0.667) 13.389 15.990 ( 7.538 15.278 1.867) 17.139 16.231 ( -3.952 -2.689 -6.566) 8.122 16.333 ( -4.407 3.697 0.586) 5.782 16.607 ( -1.300 2.191 -13.053) 13.299 16.953 ( 0.739 -2.181 -11.327) 11.558 17.166 ( 3.447 -7.726 -0.467) 8.473 17.515 ( -4.371 8.823 -10.455) 14.362 17.797 ( -4.952 -6.270 -18.496) 20.148 17.915 ( -6.215 -2.214 -12.872) 14.464 18.319 ( -9.100 -5.997 -5.263) 12.103 18.592 ( -15.759 -8.078 1.314) 17.758 20.972 ( 13.039 4.814 1.526) 13.983 21.431 ( 8.143 1.969 -0.550) 8.396 21.688 ( 0.147 -3.848 0.590) 3.896 21.777 ( -10.616 -6.399 3.503) 12.881 22.265 ( -5.929 2.451 3.594) 7.354 22.495 ( -7.085 -0.850 8.560) 11.144 23.301 ( 18.366 6.167 -12.148) 22.867 24.095 ( -0.910 -10.050 -16.069) 18.974 ======================= Grid point 264 (89/150) ======================= q-point: ( 0.38 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.930 ( 27.535 18.253 21.362) 39.341 4.335 ( 17.009 21.639 26.109) 37.938 4.734 ( -9.969 11.595 18.244) 23.805 5.271 ( -27.275 20.956 2.823) 34.511 6.104 ( 18.853 -8.173 10.669) 23.153 6.538 ( 15.973 -5.136 -4.758) 17.440 6.625 ( -6.585 -6.607 -6.529) 11.385 6.763 ( 14.650 2.928 -4.505) 15.604 7.150 ( 9.692 -15.178 -8.927) 20.100 7.314 ( -3.576 -8.680 6.668) 11.515 7.869 ( -0.914 -3.856 -6.988) 8.034 8.123 ( -4.248 6.330 -4.140) 8.675 8.276 ( -0.110 10.079 7.445) 12.531 8.370 ( -2.626 8.742 5.647) 10.733 8.948 ( 8.109 0.194 0.245) 8.115 9.089 ( -2.169 -11.467 -7.314) 13.773 9.482 ( 3.414 -10.149 -14.064) 17.676 9.688 ( -5.192 -11.366 -25.606) 28.493 9.904 ( 5.272 -10.214 2.557) 11.775 10.093 ( 1.428 0.819 -3.582) 3.942 10.209 ( -7.448 -5.215 2.548) 9.442 10.451 ( -12.033 0.520 6.707) 13.786 10.699 ( 5.134 12.396 1.286) 13.479 10.843 ( -2.071 7.137 2.288) 7.776 11.470 ( 1.410 -4.885 1.451) 5.288 11.539 ( -1.736 -2.359 -2.355) 3.759 11.888 ( 17.140 5.098 4.340) 18.401 11.936 ( 13.453 -8.591 14.376) 21.482 12.401 ( -6.939 4.051 9.287) 12.281 12.731 ( -14.866 0.569 9.060) 17.419 12.930 ( -5.850 6.433 5.617) 10.352 13.112 ( -1.297 -7.539 1.936) 7.891 13.229 ( -16.713 -3.469 -3.190) 17.365 13.379 ( -8.295 -8.888 7.756) 14.421 14.089 ( 5.948 2.076 12.767) 14.237 14.142 ( 5.379 -0.428 8.120) 9.749 14.366 ( 2.064 2.618 10.982) 11.477 14.438 ( -1.514 2.881 10.661) 11.147 15.173 ( 9.629 20.577 -5.906) 23.474 15.226 ( 8.511 11.051 -3.533) 14.389 15.849 ( -2.555 5.073 3.806) 6.838 16.043 ( -9.717 -5.775 4.283) 12.088 16.321 ( 3.003 3.450 -6.135) 7.653 16.342 ( 15.563 7.494 -5.362) 18.087 16.554 ( -3.512 1.533 -11.654) 12.268 16.892 ( -7.353 1.127 -6.153) 9.654 17.251 ( 6.211 -5.907 -6.922) 11.018 17.524 ( 4.692 0.915 -15.156) 15.892 17.654 ( -9.233 -6.394 -17.132) 20.485 17.789 ( -6.140 -2.819 -13.081) 14.723 18.178 ( -4.619 -2.201 -5.882) 7.796 18.304 ( -11.876 -3.461 0.063) 12.371 21.192 ( 8.980 -1.038 2.819) 9.469 21.508 ( -6.848 -4.635 7.923) 11.452 21.651 ( 6.946 -0.493 -1.518) 7.127 21.773 ( 4.526 -1.478 0.770) 4.823 22.143 ( -5.365 2.580 4.257) 7.319 22.318 ( -10.016 1.268 6.527) 12.022 23.643 ( 15.363 2.897 -14.066) 21.030 24.044 ( -4.657 -5.210 -16.527) 17.944 ======================= Grid point 265 (90/150) ======================= q-point: (-0.50 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.439 ( -17.813 17.996 20.296) 32.452 4.439 ( 17.813 17.996 20.296) 32.452 4.720 ( -22.177 22.525 15.102) 35.032 4.720 ( 22.177 22.525 15.102) 35.032 6.414 ( -12.107 -8.629 -1.463) 14.939 6.414 ( 12.107 -8.629 -1.463) 14.939 6.857 ( -8.836 -8.588 -9.774) 15.727 6.857 ( 8.836 -8.588 -9.774) 15.727 7.269 ( -2.059 -6.180 4.347) 7.832 7.269 ( 2.059 -6.180 4.347) 7.832 7.944 ( -9.576 -1.016 -0.848) 9.667 7.944 ( 9.576 -1.016 -0.848) 9.667 8.313 ( -2.686 10.926 6.767) 13.130 8.313 ( 2.686 10.926 6.767) 13.130 9.058 ( -2.855 -8.029 -4.996) 9.878 9.058 ( 2.855 -8.029 -4.996) 9.878 9.560 ( -5.660 -13.086 -20.122) 24.661 9.560 ( 5.660 -13.086 -20.122) 24.661 10.030 ( -7.942 -1.484 3.449) 8.784 10.030 ( 7.942 -1.484 3.449) 8.784 10.221 ( -10.057 -4.666 -0.146) 11.088 10.221 ( 10.057 -4.666 -0.146) 11.088 10.797 ( -3.396 11.019 0.097) 11.531 10.797 ( 3.396 11.019 0.097) 11.531 11.496 ( -1.979 -3.679 0.063) 4.178 11.496 ( 1.979 -3.679 0.063) 4.178 12.206 ( -13.470 4.081 9.925) 17.222 12.206 ( 13.470 4.081 9.925) 17.222 12.334 ( -22.736 -2.785 9.959) 24.977 12.334 ( 22.736 -2.785 9.959) 24.977 12.925 ( -7.453 6.142 -1.255) 9.739 12.925 ( 7.453 6.142 -1.255) 9.739 13.226 ( -6.839 -11.385 5.489) 14.371 13.226 ( 6.839 -11.385 5.489) 14.371 14.177 ( -1.921 2.909 11.374) 11.896 14.177 ( 1.921 2.909 11.374) 11.896 14.400 ( -1.790 1.763 11.406) 11.679 14.400 ( 1.790 1.763 11.406) 11.679 15.306 ( -1.975 19.969 -5.924) 20.923 15.306 ( 1.975 19.969 -5.924) 20.923 15.867 ( -5.719 -5.593 6.343) 10.209 15.867 ( 5.719 -5.593 6.343) 10.209 16.413 ( -5.464 2.181 -9.319) 11.021 16.413 ( 5.464 2.181 -9.319) 11.021 16.680 ( -13.046 4.384 -5.420) 14.791 16.680 ( 13.046 4.384 -5.420) 14.791 17.430 ( -10.939 -7.245 -13.498) 18.824 17.430 ( 10.939 -7.245 -13.498) 18.824 17.662 ( -6.776 -1.639 -13.610) 15.291 17.662 ( 6.776 -1.639 -13.610) 15.291 18.155 ( -2.828 -1.181 -3.926) 4.981 18.155 ( 2.828 -1.181 -3.926) 4.981 21.351 ( -7.660 -5.062 4.938) 10.425 21.351 ( 7.660 -5.062 4.938) 10.425 21.795 ( -4.456 0.549 1.984) 4.909 21.795 ( 4.456 0.549 1.984) 4.909 22.137 ( -6.237 2.305 4.010) 7.764 22.137 ( 6.237 2.305 4.010) 7.764 23.898 ( -10.056 -0.824 -15.573) 18.555 23.898 ( 10.056 -0.824 -15.573) 18.555 ======================= Grid point 270 (91/150) ======================= q-point: ( 0.00 0.38 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.239 ( 0.000 25.270 15.849) 29.829 3.493 ( 0.000 24.174 27.842) 36.872 4.427 ( 0.000 -33.443 2.772) 33.558 4.628 ( 0.000 -27.225 4.786) 27.643 6.379 ( 0.000 20.324 7.439) 21.643 6.399 ( 0.000 -6.665 1.997) 6.958 6.481 ( 0.000 13.798 6.611) 15.300 6.627 ( 0.000 -17.660 4.914) 18.331 7.044 ( 0.000 22.088 -1.787) 22.160 7.649 ( 0.000 10.458 -14.872) 18.181 7.871 ( 0.000 18.847 -9.641) 21.170 8.078 ( 0.000 -13.835 1.801) 13.951 8.363 ( 0.000 -15.094 -6.937) 16.612 8.407 ( 0.000 -3.399 3.158) 4.640 8.858 ( 0.000 12.308 2.076) 12.481 9.194 ( 0.000 22.679 -8.768) 24.315 9.233 ( 0.000 13.282 -10.706) 17.060 9.588 ( 0.000 -16.294 3.812) 16.734 9.837 ( 0.000 -9.709 -2.905) 10.134 9.984 ( 0.000 -12.460 -25.249) 28.156 10.427 ( 0.000 6.680 -2.996) 7.321 10.508 ( 0.000 -2.547 19.671) 19.835 10.806 ( 0.000 0.778 0.337) 0.848 10.927 ( 0.000 10.141 12.814) 16.342 11.151 ( 0.000 -12.258 -0.614) 12.273 11.378 ( 0.000 -11.970 16.846) 20.666 11.515 ( 0.000 9.805 4.467) 10.775 12.124 ( 0.000 -13.732 1.062) 13.773 12.795 ( 0.000 8.162 0.503) 8.178 12.853 ( 0.000 -5.818 4.636) 7.439 13.067 ( 0.000 -4.652 -0.523) 4.681 13.158 ( 0.000 -15.866 0.073) 15.866 13.546 ( 0.000 6.036 8.477) 10.406 13.791 ( 0.000 -5.099 18.707) 19.389 13.916 ( 0.000 2.828 9.647) 10.053 13.949 ( 0.000 7.066 -0.622) 7.093 14.112 ( 0.000 -6.534 12.714) 14.295 14.235 ( 0.000 -5.488 -4.123) 6.864 15.117 ( 0.000 14.706 -0.226) 14.708 15.416 ( 0.000 4.068 4.305) 5.923 15.603 ( 0.000 23.248 -8.966) 24.917 16.234 ( 0.000 -7.185 -9.112) 11.604 16.423 ( 0.000 17.822 7.717) 19.421 16.439 ( 0.000 -0.425 -20.848) 20.852 16.707 ( 0.000 -9.809 -20.778) 22.977 16.828 ( 0.000 7.510 1.218) 7.608 17.033 ( 0.000 2.493 8.105) 8.480 17.658 ( 0.000 -15.895 -8.210) 17.890 17.997 ( 0.000 17.312 -1.513) 17.378 18.080 ( 0.000 3.445 -14.173) 14.586 18.345 ( 0.000 -10.586 -8.927) 13.847 18.707 ( 0.000 -16.865 0.140) 16.866 20.864 ( 0.000 15.140 -1.662) 15.231 21.231 ( 0.000 -2.422 -5.990) 6.462 21.708 ( 0.000 0.926 5.628) 5.703 22.032 ( 0.000 -14.709 14.827) 20.885 22.323 ( 0.000 3.716 -3.702) 5.245 22.502 ( 0.000 -4.968 -1.930) 5.330 23.095 ( 0.000 17.339 -10.530) 20.286 23.768 ( 0.000 -16.897 -12.589) 21.071 ======================= Grid point 271 (92/150) ======================= q-point: ( 0.12 0.38 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.521 ( 16.543 18.599 25.787) 35.841 3.610 ( 21.724 28.817 16.299) 39.598 4.502 ( 5.745 -27.139 7.538) 28.746 4.870 ( 23.527 -28.513 2.353) 37.041 6.181 ( -11.355 11.344 11.676) 19.848 6.417 ( -4.297 3.102 9.950) 11.274 6.544 ( 5.083 3.850 -6.995) 9.465 6.686 ( 4.554 -11.015 0.930) 11.956 6.991 ( -4.954 24.097 1.812) 24.668 7.513 ( -10.089 8.728 -9.263) 16.240 7.918 ( 0.875 9.612 -10.216) 14.055 8.081 ( 1.215 -9.802 -0.827) 9.911 8.366 ( 2.377 -8.735 -7.035) 11.465 8.475 ( 4.924 -0.084 4.630) 6.760 8.926 ( 4.854 7.832 0.089) 9.215 9.130 ( -5.488 21.541 -7.555) 23.477 9.279 ( 3.799 9.614 -13.329) 16.868 9.543 ( -3.629 -14.158 3.979) 15.148 9.792 ( -4.334 -10.284 -6.500) 12.915 9.982 ( -0.660 -15.026 -20.790) 25.660 10.384 ( -3.880 5.920 -0.134) 7.080 10.554 ( 4.083 -4.075 17.949) 18.853 10.793 ( -0.111 6.302 2.532) 6.792 10.965 ( 2.693 6.863 5.581) 9.247 11.174 ( 2.412 -9.513 1.111) 9.877 11.378 ( 1.250 -10.403 16.523) 19.565 11.528 ( 0.931 6.249 5.523) 8.392 12.030 ( -8.374 -8.964 0.361) 12.272 12.685 ( -8.350 0.274 6.361) 10.500 12.830 ( -0.686 -1.820 -0.982) 2.179 13.132 ( -1.666 -6.090 3.737) 7.337 13.205 ( 6.589 -5.495 0.905) 8.627 13.530 ( -2.037 1.138 4.798) 5.335 13.710 ( -8.805 -5.828 15.527) 18.777 13.875 ( -0.024 2.456 8.011) 8.379 13.923 ( -0.332 2.000 9.858) 10.064 14.232 ( 8.514 -1.009 6.483) 10.749 14.320 ( 6.867 -3.276 0.263) 7.613 15.116 ( 0.688 12.830 0.350) 12.854 15.313 ( -4.047 10.419 -0.293) 11.181 15.816 ( 14.798 14.812 -5.723) 21.705 16.225 ( -1.470 -1.898 -12.056) 12.293 16.389 ( -2.930 15.345 6.675) 16.989 16.416 ( -2.445 -2.126 -14.097) 14.465 16.661 ( -3.927 -4.654 -17.748) 18.764 16.872 ( 4.059 -0.391 -1.787) 4.452 17.029 ( -0.409 3.432 5.045) 6.115 17.630 ( -2.773 -15.274 -8.816) 17.852 17.917 ( -7.390 13.986 -3.986) 16.313 18.041 ( -4.054 3.844 -13.632) 14.733 18.304 ( -3.724 -7.797 -8.813) 12.343 18.621 ( -8.029 -14.658 -0.416) 16.718 20.948 ( 7.588 13.454 -1.124) 15.487 21.293 ( 6.076 -1.735 -5.113) 8.128 21.664 ( -3.414 -0.882 5.014) 6.130 21.865 ( -12.651 -10.573 9.997) 19.281 22.364 ( 0.576 1.827 1.998) 2.768 22.507 ( -0.342 -4.364 1.713) 4.701 23.204 ( 10.339 14.815 -12.976) 22.243 23.805 ( 3.437 -15.317 -14.474) 21.352 ======================= Grid point 272 (93/150) ======================= q-point: ( 0.25 0.38 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.831 ( 20.019 21.125 24.270) 37.895 4.280 ( 34.491 26.004 16.230) 46.143 4.654 ( 10.374 -18.366 13.338) 24.956 5.434 ( 28.342 -22.940 0.945) 36.475 5.975 ( -7.917 8.467 13.404) 17.721 6.260 ( -12.013 -4.156 8.108) 15.077 6.615 ( 1.092 3.904 -5.385) 6.740 6.752 ( 2.002 -4.943 -5.409) 7.596 6.922 ( 0.844 19.968 1.564) 20.047 7.340 ( -6.459 3.549 -2.189) 7.688 7.872 ( -3.990 -0.991 -8.944) 9.844 8.118 ( 2.183 -8.979 -2.064) 9.468 8.461 ( 4.829 7.670 -6.101) 10.926 8.559 ( 2.847 1.776 3.621) 4.937 8.947 ( -2.787 8.616 -7.473) 11.741 9.042 ( -2.868 6.775 2.103) 7.652 9.330 ( -0.367 0.873 -19.942) 19.965 9.516 ( 2.299 -8.840 -2.602) 9.497 9.676 ( -6.610 -11.673 -8.404) 15.830 9.936 ( -3.728 -18.623 -10.050) 21.488 10.309 ( -2.838 6.975 2.219) 7.850 10.625 ( 0.904 -4.804 13.648) 14.497 10.822 ( 3.190 12.582 0.164) 12.981 11.004 ( 0.557 5.300 2.687) 5.968 11.257 ( 6.123 -6.243 3.448) 9.400 11.469 ( 7.739 -12.946 15.642) 21.729 11.543 ( 1.237 5.216 3.724) 6.527 11.868 ( -5.034 -1.731 1.967) 5.675 12.550 ( -5.057 0.840 8.911) 10.280 12.793 ( -2.911 -7.974 -0.270) 8.493 13.073 ( -4.989 5.160 9.258) 11.714 13.204 ( -5.828 -1.916 3.891) 7.265 13.449 ( -7.303 -3.721 5.276) 9.748 13.474 ( -13.311 -5.457 7.252) 16.111 13.964 ( 8.674 1.318 8.348) 12.111 13.989 ( 6.480 0.881 11.923) 13.598 14.371 ( 4.529 2.353 7.156) 8.789 14.442 ( 4.008 -1.071 6.657) 7.844 15.186 ( 6.961 8.999 0.200) 11.378 15.331 ( 6.116 10.646 -3.337) 12.723 16.045 ( 1.750 5.905 -6.626) 9.046 16.188 ( -1.341 6.868 -7.803) 10.481 16.309 ( -0.692 5.868 -10.879) 12.380 16.381 ( -0.651 3.430 4.787) 5.925 16.577 ( -4.076 -3.177 -16.646) 17.430 16.971 ( 4.546 -11.205 1.032) 12.136 17.018 ( -0.078 8.385 -3.381) 9.041 17.551 ( -5.094 -13.074 -10.223) 17.361 17.746 ( -8.346 9.375 -8.308) 15.052 17.922 ( -7.400 1.863 -13.818) 15.786 18.216 ( -4.670 -3.334 -8.848) 10.545 18.426 ( -10.512 -9.289 -2.109) 14.186 21.109 ( 6.937 9.099 1.121) 11.497 21.458 ( 9.860 -0.861 -3.242) 10.415 21.591 ( -8.888 -5.631 6.950) 12.610 21.651 ( -1.487 -5.006 4.876) 7.144 22.315 ( -4.950 2.935 4.795) 7.490 22.454 ( -5.251 -3.168 5.462) 8.212 23.460 ( 14.032 9.740 -15.632) 23.154 23.885 ( 3.937 -11.137 -17.215) 20.878 ======================= Grid point 273 (94/150) ======================= q-point: ( 0.38 0.38 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.308 ( 26.381 19.050 21.326) 38.906 4.724 ( 10.796 10.476 16.309) 22.187 4.953 ( 14.446 16.731 23.548) 32.297 5.645 ( -16.030 14.626 0.188) 21.701 5.896 ( 4.347 -11.066 10.070) 15.580 6.183 ( 7.251 -23.902 7.090) 25.965 6.612 ( 2.817 2.464 7.012) 7.948 6.821 ( 3.336 -4.904 -4.249) 7.296 6.988 ( 4.011 4.827 -16.671) 17.813 7.240 ( -4.795 -3.193 3.530) 6.756 7.840 ( 3.297 3.931 -5.913) 7.828 8.154 ( -0.200 -1.634 -2.147) 2.705 8.469 ( -2.523 6.245 -0.381) 6.746 8.585 ( -1.004 7.958 -2.998) 8.563 8.921 ( 0.111 -0.006 -8.764) 8.764 8.967 ( -3.455 1.549 0.110) 3.788 9.290 ( -2.056 -8.859 -18.402) 20.527 9.457 ( -8.856 -11.465 -25.105) 28.985 9.680 ( 6.620 -10.159 4.382) 12.893 9.872 ( -2.400 -17.484 -2.544) 17.830 10.279 ( 0.170 10.154 2.997) 10.588 10.531 ( -9.138 2.444 11.728) 15.067 10.913 ( 4.202 8.917 -2.416) 10.149 10.984 ( -1.533 6.134 1.150) 6.427 11.378 ( 5.060 -2.446 1.724) 5.878 11.502 ( -2.342 -3.508 4.584) 6.229 11.780 ( 20.283 -4.110 11.325) 23.591 11.928 ( 11.113 -2.817 8.202) 14.096 12.449 ( -6.773 1.383 11.465) 13.388 12.643 ( -15.074 -8.152 6.597) 18.363 12.986 ( -0.335 3.191 8.119) 8.730 13.085 ( -4.454 1.975 3.619) 6.069 13.188 ( -12.313 -0.674 4.923) 13.278 13.289 ( -9.273 -2.648 4.352) 10.581 14.141 ( 8.157 2.466 11.865) 14.608 14.155 ( 8.473 1.367 8.781) 12.279 14.408 ( -0.404 1.889 10.315) 10.495 14.459 ( -1.960 -0.229 10.332) 10.519 15.388 ( 12.525 7.060 -1.840) 14.495 15.529 ( 12.458 10.684 -4.756) 17.087 15.914 ( -10.910 2.028 -4.390) 11.934 16.029 ( -11.052 6.314 -2.478) 12.967 16.352 ( 0.746 -0.216 -8.151) 8.188 16.481 ( -1.099 -8.383 -16.519) 18.557 16.545 ( 10.099 12.075 -1.405) 15.804 16.946 ( -5.229 2.044 -1.542) 5.823 17.099 ( 6.002 -6.424 -3.456) 9.446 17.426 ( -7.768 -12.133 -9.501) 17.258 17.639 ( -1.480 6.286 -13.335) 14.817 17.778 ( -6.257 0.615 -14.521) 15.824 18.137 ( -2.804 -1.300 -8.888) 9.410 18.235 ( -8.013 -4.089 -4.999) 10.291 21.199 ( 2.819 1.964 4.586) 5.730 21.392 ( -8.460 -6.626 6.829) 12.733 21.668 ( 10.061 1.815 0.319) 10.229 21.747 ( 7.709 -1.509 0.764) 7.893 22.194 ( -6.206 2.851 5.754) 8.931 22.310 ( -8.654 -1.920 5.753) 10.568 23.719 ( 11.142 4.698 -16.949) 20.820 23.934 ( 0.391 -5.813 -18.134) 19.047 ======================= Grid point 274 (95/150) ======================= q-point: (-0.50 0.38 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.749 ( -12.151 12.475 22.863) 28.740 4.749 ( 12.151 12.475 22.863) 28.740 5.205 ( -18.691 25.612 11.569) 33.752 5.205 ( 18.691 25.612 11.569) 33.752 6.120 ( -11.921 -18.184 5.752) 22.491 6.120 ( 11.921 -18.184 5.752) 22.491 6.777 ( -8.321 -4.137 3.046) 9.779 6.777 ( 8.321 -4.137 3.046) 9.779 7.106 ( -7.942 -7.047 -8.723) 13.741 7.106 ( 7.942 -7.047 -8.723) 13.741 8.023 ( -11.866 9.036 -3.170) 15.248 8.023 ( 11.866 9.036 -3.170) 15.248 8.499 ( -5.542 3.857 -0.123) 6.753 8.499 ( 5.542 3.857 -0.123) 6.753 8.932 ( -1.288 -1.090 -8.293) 8.463 8.932 ( 1.288 -1.090 -8.293) 8.463 9.305 ( -4.630 -12.320 -20.384) 24.264 9.305 ( 4.630 -12.320 -20.384) 24.264 9.806 ( -5.010 -13.963 1.093) 14.875 9.806 ( 5.010 -13.963 1.093) 14.875 10.349 ( -7.218 9.785 6.563) 13.817 10.349 ( 7.218 9.785 6.563) 13.817 10.961 ( -1.266 5.469 -1.786) 5.890 10.961 ( 1.266 5.469 -1.786) 5.890 11.453 ( -2.678 -0.953 3.496) 4.505 11.453 ( 2.678 -0.953 3.496) 4.505 12.208 ( -2.539 -1.840 12.377) 12.768 12.208 ( 2.539 -1.840 12.377) 12.768 12.250 ( -10.003 -6.250 9.193) 14.954 12.250 ( 10.003 -6.250 9.193) 14.954 13.020 ( -2.805 3.762 4.116) 6.242 13.020 ( 2.805 3.762 4.116) 6.242 13.119 ( -6.486 -0.843 4.941) 8.198 13.119 ( 6.486 -0.843 4.941) 8.198 14.252 ( -0.745 4.093 10.426) 11.225 14.252 ( 0.745 4.093 10.426) 11.225 14.401 ( -1.821 -1.054 11.706) 11.894 14.401 ( 1.821 -1.054 11.706) 11.894 15.650 ( -12.506 9.695 -7.368) 17.455 15.650 ( 12.506 9.695 -7.368) 17.455 15.797 ( -11.543 3.258 1.600) 12.101 15.797 ( 11.543 3.258 1.600) 12.101 16.401 ( -4.063 -3.916 -12.018) 13.277 16.401 ( 4.063 -3.916 -12.018) 13.277 16.782 ( -10.763 6.160 -3.040) 12.768 16.782 ( 10.763 6.160 -3.040) 12.768 17.249 ( -8.954 -10.130 -5.828) 14.722 17.249 ( 8.954 -10.130 -5.828) 14.722 17.677 ( -4.091 2.585 -15.336) 16.081 17.677 ( 4.091 2.585 -15.336) 16.081 18.128 ( -2.416 -1.601 -7.693) 8.221 18.128 ( 2.416 -1.601 -7.693) 8.221 21.264 ( -4.485 -3.431 6.332) 8.484 21.264 ( 4.485 -3.431 6.332) 8.484 21.822 ( -3.311 1.694 0.558) 3.761 21.822 ( 3.311 1.694 0.558) 3.761 22.154 ( -4.575 -0.148 5.694) 7.306 22.154 ( 4.575 -0.148 5.694) 7.306 23.886 ( -5.426 -0.426 -17.774) 18.589 23.886 ( 5.426 -0.426 -17.774) 18.589 ======================= Grid point 279 (96/150) ======================= q-point: ( 0.00 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.793 ( 0.000 -30.926 8.018) 31.948 3.793 ( 0.000 30.926 8.018) 31.948 4.044 ( 0.000 -30.711 14.187) 33.830 4.044 ( 0.000 30.711 14.187) 33.830 6.388 ( 0.000 -5.996 4.581) 7.546 6.388 ( 0.000 5.996 4.581) 7.546 6.595 ( 0.000 -3.988 -2.821) 4.885 6.595 ( 0.000 3.988 -2.821) 4.885 7.550 ( 0.000 -24.332 9.414) 26.090 7.550 ( 0.000 24.332 9.414) 26.090 8.046 ( 0.000 -14.139 -9.245) 16.893 8.046 ( 0.000 14.139 -9.245) 16.893 8.206 ( 0.000 -14.919 -6.687) 16.349 8.206 ( 0.000 14.919 -6.687) 16.349 9.176 ( 0.000 -17.925 11.219) 21.146 9.176 ( 0.000 17.925 11.219) 21.146 9.591 ( 0.000 -14.385 -12.413) 19.000 9.591 ( 0.000 14.385 -12.413) 19.000 9.637 ( 0.000 -21.382 -16.844) 27.220 9.637 ( 0.000 21.382 -16.844) 27.220 10.491 ( 0.000 -0.510 15.013) 15.022 10.491 ( 0.000 0.510 15.013) 15.022 10.915 ( 0.000 -10.261 -6.216) 11.997 10.915 ( 0.000 10.261 -6.216) 11.997 11.144 ( 0.000 -11.785 15.250) 19.273 11.144 ( 0.000 11.785 15.250) 19.273 11.806 ( 0.000 -17.705 3.073) 17.970 11.806 ( 0.000 17.705 3.073) 17.970 12.895 ( 0.000 -9.384 -0.038) 9.384 12.895 ( 0.000 9.384 -0.038) 9.384 12.947 ( 0.000 -7.239 -2.160) 7.554 12.947 ( 0.000 7.239 -2.160) 7.554 13.673 ( 0.000 -6.564 15.233) 16.587 13.673 ( 0.000 6.564 15.233) 16.587 13.997 ( 0.000 -5.191 12.063) 13.132 13.997 ( 0.000 5.191 12.063) 13.132 14.101 ( 0.000 -7.794 -2.058) 8.061 14.101 ( 0.000 7.794 -2.058) 8.061 15.363 ( 0.000 -9.070 3.392) 9.684 15.363 ( 0.000 9.070 3.392) 9.684 15.995 ( 0.000 -16.536 -9.327) 18.985 15.995 ( 0.000 16.536 -9.327) 18.985 16.522 ( 0.000 -8.140 -21.728) 23.202 16.522 ( 0.000 8.140 -21.728) 23.202 16.725 ( 0.000 -12.274 6.799) 14.031 16.725 ( 0.000 12.274 6.799) 14.031 17.305 ( 0.000 -18.757 -0.675) 18.769 17.305 ( 0.000 18.757 -0.675) 18.769 18.181 ( 0.000 -6.702 -12.583) 14.257 18.181 ( 0.000 6.702 -12.583) 14.257 18.355 ( 0.000 -18.706 -0.951) 18.730 18.355 ( 0.000 18.706 -0.951) 18.730 21.120 ( 0.000 -9.720 -5.132) 10.992 21.120 ( 0.000 9.720 -5.132) 10.992 21.791 ( 0.000 -8.483 11.693) 14.446 21.791 ( 0.000 8.483 11.693) 14.446 22.406 ( 0.000 -4.714 -2.808) 5.487 22.406 ( 0.000 4.714 -2.808) 5.487 23.435 ( 0.000 -17.255 -12.436) 21.270 23.435 ( 0.000 17.255 -12.436) 21.270 ======================= Grid point 281 (97/150) ======================= q-point: ( 0.12 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.944 ( 12.648 -21.718 14.801) 29.167 3.944 ( 12.648 21.718 14.801) 29.167 4.263 ( 22.522 -29.541 8.199) 38.041 4.263 ( 22.522 29.541 8.199) 38.041 6.313 ( -6.820 -7.210 7.828) 12.640 6.313 ( -6.820 7.210 7.828) 12.640 6.633 ( 3.012 -2.440 -5.533) 6.756 6.633 ( 3.012 2.440 -5.533) 6.756 7.475 ( -7.034 -19.290 7.042) 21.707 7.475 ( -7.034 19.290 7.042) 21.707 7.953 ( -4.744 -5.867 -6.224) 9.781 7.953 ( -4.744 5.867 -6.224) 9.781 8.357 ( 10.282 -8.153 -7.325) 15.028 8.357 ( 10.282 8.153 -7.325) 15.028 9.184 ( -0.287 -15.450 9.626) 18.206 9.184 ( -0.287 15.450 9.626) 18.206 9.532 ( -4.606 -6.678 -20.475) 22.023 9.532 ( -4.606 6.678 -20.475) 22.023 9.619 ( -2.209 -14.925 -7.535) 16.865 9.619 ( -2.209 14.925 -7.535) 16.865 10.478 ( -0.745 -3.922 12.865) 13.470 10.478 ( -0.745 3.922 12.865) 13.470 10.944 ( 2.947 -8.399 -5.263) 10.341 10.944 ( 2.947 8.399 -5.263) 10.341 11.168 ( 2.471 -8.838 14.575) 17.223 11.168 ( 2.471 8.838 14.575) 17.223 11.774 ( -2.832 -15.533 3.360) 16.143 11.774 ( -2.832 15.533 3.360) 16.143 12.751 ( -7.140 -6.637 0.594) 9.767 12.751 ( -7.140 6.637 0.594) 9.767 13.105 ( 7.490 -3.989 -0.046) 8.486 13.105 ( 7.490 3.989 -0.046) 8.486 13.601 ( -7.376 -5.154 12.205) 15.163 13.601 ( -7.376 5.154 12.205) 15.163 13.927 ( -1.332 -1.860 11.144) 11.376 13.927 ( -1.332 1.860 11.144) 11.376 14.251 ( 9.626 -2.933 2.032) 10.266 14.251 ( 9.626 2.933 2.032) 10.266 15.332 ( -1.703 -7.316 3.035) 8.102 15.332 ( -1.703 7.316 3.035) 8.102 16.085 ( 7.364 -11.930 -10.541) 17.540 16.085 ( 7.364 11.930 -10.541) 17.540 16.469 ( -5.021 -6.851 -15.852) 17.984 16.469 ( -5.021 6.851 -15.852) 17.984 16.715 ( -0.695 -11.638 2.924) 12.020 16.715 ( -0.695 11.638 2.924) 12.020 17.293 ( -1.170 -17.655 -2.093) 17.817 17.293 ( -1.170 17.655 -2.093) 17.817 18.097 ( -7.848 -3.897 -11.353) 14.341 18.097 ( -7.848 3.897 -11.353) 14.341 18.327 ( -2.808 -13.345 -3.305) 14.033 18.327 ( -2.808 13.345 -3.305) 14.033 21.189 ( 6.398 -9.622 -4.368) 12.353 21.189 ( 6.398 9.622 -4.368) 12.353 21.695 ( -7.825 -5.092 9.888) 13.599 21.695 ( -7.825 5.092 9.888) 13.599 22.423 ( 0.342 -3.945 0.867) 4.054 22.423 ( 0.342 3.945 0.867) 4.054 23.503 ( 6.531 -15.519 -14.466) 22.198 23.503 ( 6.531 15.519 -14.466) 22.198 ======================= Grid point 283 (98/150) ======================= q-point: ( 0.25 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.251 ( 18.009 -21.639 19.153) 34.050 4.251 ( 18.009 21.639 19.153) 34.050 4.861 ( 33.803 -31.951 6.522) 46.969 4.861 ( 33.803 31.951 6.522) 46.969 6.132 ( -11.268 -8.143 10.347) 17.330 6.132 ( -11.268 8.143 10.347) 17.330 6.687 ( 1.963 -2.029 -5.388) 6.083 6.687 ( 1.963 2.029 -5.388) 6.083 7.299 ( -9.645 -12.108 0.900) 15.506 7.299 ( -9.645 12.108 0.900) 15.506 7.916 ( 1.554 -8.323 -2.708) 8.890 7.916 ( 1.554 8.323 -2.708) 8.890 8.534 ( 6.132 -2.395 -5.917) 8.851 8.534 ( 6.132 2.395 -5.917) 8.851 9.126 ( -5.095 -8.345 0.285) 9.781 9.126 ( -5.095 8.345 0.285) 9.781 9.414 ( -7.887 -11.394 -19.673) 24.063 9.414 ( -7.887 11.394 -19.673) 24.063 9.584 ( -0.065 -12.368 -1.752) 12.491 9.584 ( -0.065 12.368 -1.752) 12.491 10.478 ( 0.480 -9.315 8.617) 12.698 10.478 ( 0.480 9.315 8.617) 12.698 11.012 ( 2.875 -5.567 -2.696) 6.821 11.012 ( 2.875 5.567 -2.696) 6.821 11.257 ( 6.955 -6.583 12.063) 15.402 11.257 ( 6.955 6.583 12.063) 15.402 11.720 ( -1.319 -11.016 4.556) 11.994 11.720 ( -1.319 11.016 4.556) 11.994 12.637 ( -4.623 -7.630 4.167) 9.846 12.637 ( -4.623 7.630 4.167) 9.846 13.163 ( -2.467 -3.320 5.392) 6.796 13.163 ( -2.467 3.320 5.392) 6.796 13.409 ( -10.466 -0.591 7.206) 12.720 13.409 ( -10.466 0.591 7.206) 12.720 13.992 ( 7.312 -0.861 11.151) 13.362 13.992 ( 7.312 0.861 11.151) 13.362 14.410 ( 5.242 -1.854 5.619) 7.905 14.410 ( 5.242 1.854 5.619) 7.905 15.355 ( 4.980 -6.436 2.188) 8.426 15.355 ( 4.980 6.436 2.188) 8.426 16.195 ( 0.223 -9.919 -15.904) 18.745 16.195 ( 0.223 9.919 -15.904) 18.745 16.358 ( -3.736 -7.863 -6.607) 10.929 16.358 ( -3.736 7.863 -6.607) 10.929 16.717 ( 1.606 -13.666 0.007) 13.760 16.717 ( 1.606 13.666 0.007) 13.760 17.259 ( -2.298 -14.782 -4.924) 15.749 17.259 ( -2.298 14.782 -4.924) 15.749 17.908 ( -9.870 -4.993 -11.237) 15.767 17.908 ( -9.870 4.993 -11.237) 15.767 18.249 ( -4.729 -7.159 -6.327) 10.661 18.249 ( -4.729 7.159 -6.327) 10.661 21.313 ( 2.834 -11.046 -0.081) 11.404 21.313 ( 2.834 11.046 -0.081) 11.404 21.579 ( -0.323 -2.677 5.787) 6.384 21.579 ( -0.323 2.677 5.787) 6.384 22.382 ( -4.570 -3.823 4.688) 7.582 22.382 ( -4.570 3.823 4.688) 7.582 23.667 ( 8.913 -11.082 -17.231) 22.342 23.667 ( 8.913 11.082 -17.231) 22.342 ======================= Grid point 285 (99/150) ======================= q-point: ( 0.38 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.636 ( 19.169 -13.383 20.942) 31.386 4.636 ( 19.169 13.383 20.942) 31.386 5.460 ( 22.046 -28.514 11.140) 37.725 5.460 ( 22.046 28.514 11.140) 37.725 5.884 ( -11.653 -7.948 6.405) 15.491 5.884 ( -11.653 7.948 6.405) 15.491 6.700 ( -0.573 -6.585 6.409) 9.207 6.700 ( -0.573 6.585 6.409) 9.207 7.130 ( -6.574 -7.052 -10.922) 14.568 7.130 ( -6.574 7.052 -10.922) 14.568 8.024 ( 8.957 -11.377 -2.036) 14.623 8.024 ( 8.957 11.377 -2.036) 14.623 8.557 ( -4.171 -5.398 -3.762) 7.791 8.557 ( -4.171 5.398 -3.762) 7.791 9.039 ( -2.358 -5.312 -10.103) 11.655 9.039 ( -2.358 5.312 -10.103) 11.655 9.233 ( -9.083 -9.978 -17.030) 21.728 9.233 ( -9.083 9.978 -17.030) 21.728 9.613 ( 2.204 -5.557 1.412) 6.143 9.613 ( 2.204 5.557 1.412) 6.143 10.474 ( -0.899 -7.881 6.296) 10.127 10.474 ( -0.899 7.881 6.296) 10.127 11.030 ( -0.883 -2.174 -2.564) 3.475 11.030 ( -0.883 2.174 -2.564) 3.475 11.402 ( 5.133 -4.647 8.026) 10.600 11.402 ( 5.133 4.647 8.026) 10.600 11.815 ( 12.962 -6.285 8.597) 16.776 11.815 ( 12.962 6.285 8.597) 16.776 12.506 ( -11.038 -5.124 9.615) 15.509 12.506 ( -11.038 5.124 9.615) 15.509 13.067 ( -3.625 -3.619 6.366) 8.172 13.067 ( -3.625 3.619 6.366) 8.172 13.226 ( -7.788 -3.535 5.271) 10.047 13.226 ( -7.788 3.535 5.271) 10.047 14.170 ( 9.216 -0.385 10.276) 13.809 14.170 ( 9.216 0.385 10.276) 13.809 14.441 ( -1.771 -1.440 9.364) 9.638 14.441 ( -1.771 1.440 9.364) 9.638 15.522 ( 10.449 -6.458 2.457) 12.527 15.522 ( 10.449 6.458 2.457) 12.527 16.069 ( -9.117 -6.963 -12.690) 17.107 16.069 ( -9.117 6.963 -12.690) 17.107 16.338 ( -0.821 -1.963 -11.024) 11.227 16.338 ( -0.821 1.963 -11.024) 11.227 16.794 ( 5.544 -12.668 0.477) 13.836 16.794 ( 5.544 12.668 0.477) 13.836 17.189 ( -4.849 -10.815 -6.224) 13.387 17.189 ( -4.849 10.815 -6.224) 13.387 17.754 ( -4.720 -4.024 -13.250) 14.630 17.754 ( -4.720 4.024 -13.250) 14.630 18.154 ( -4.226 -3.276 -8.180) 9.773 18.154 ( -4.226 3.276 -8.180) 9.773 21.271 ( -3.806 -5.289 6.025) 8.874 21.271 ( -3.806 5.289 6.025) 8.874 21.710 ( 9.766 -2.236 0.711) 10.044 21.710 ( 9.766 2.236 0.711) 10.044 22.255 ( -7.490 -3.257 5.829) 10.034 22.255 ( -7.490 3.257 5.829) 10.034 23.821 ( 5.861 -5.644 -18.371) 20.092 23.821 ( 5.861 5.644 -18.371) 20.092 ======================= Grid point 287 (100/150) ======================= q-point: (-0.50 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.881 ( -0.000 -0.000 23.838) 23.838 4.881 ( -0.000 0.000 23.838) 23.838 5.582 ( 0.000 -0.000 13.067) 13.067 5.582 ( 0.000 0.000 13.067) 13.067 5.832 ( -0.000 -0.000 1.603) 1.603 5.832 ( -0.000 0.000 1.603) 1.603 6.687 ( -0.000 0.000 18.319) 18.319 6.687 ( 0.000 0.000 18.319) 18.319 7.061 ( 0.000 -0.000 -20.471) 20.471 7.061 ( -0.000 0.000 -20.471) 20.471 8.178 ( -0.000 -0.000 -2.318) 2.318 8.178 ( 0.000 0.000 -2.318) 2.318 8.451 ( 0.000 -0.000 -4.812) 4.812 8.451 ( 0.000 0.000 -4.812) 4.812 9.035 ( 0.000 0.000 -12.657) 12.657 9.035 ( -0.000 0.000 -12.657) 12.657 9.117 ( 0.000 -0.000 -17.324) 17.324 9.117 ( 0.000 0.000 -17.324) 17.324 9.640 ( -0.000 -0.000 3.988) 3.988 9.640 ( 0.000 0.000 3.988) 3.988 10.461 ( 0.000 -0.000 5.187) 5.187 10.461 ( 0.000 0.000 5.187) 5.187 11.013 ( 0.000 0.000 -3.651) 3.651 11.013 ( 0.000 0.000 -3.651) 3.651 11.447 ( -0.000 -0.000 7.378) 7.378 11.447 ( -0.000 0.000 7.378) 7.378 12.166 ( -0.000 0.000 8.296) 8.296 12.166 ( 0.000 0.000 8.296) 8.296 12.187 ( -0.000 0.000 13.402) 13.402 12.187 ( 0.000 0.000 13.402) 13.402 13.067 ( -0.000 0.000 5.721) 5.721 13.067 ( 0.000 0.000 5.721) 5.721 13.116 ( 0.000 0.000 5.305) 5.305 13.116 ( 0.000 0.000 5.305) 5.305 14.301 ( 0.000 -0.000 9.942) 9.942 14.301 ( 0.000 0.000 9.942) 9.942 14.385 ( -0.000 -0.000 11.065) 11.065 14.385 ( 0.000 0.000 11.065) 11.065 15.671 ( 0.000 0.000 6.280) 6.280 15.671 ( 0.000 0.000 6.280) 6.280 15.941 ( -0.000 -0.000 -14.832) 14.832 15.941 ( 0.000 0.000 -14.832) 14.832 16.322 ( 0.000 -0.000 -12.624) 12.624 16.322 ( 0.000 0.000 -12.624) 12.624 16.875 ( 0.000 -0.000 0.587) 0.587 16.875 ( 0.000 0.000 0.587) 0.587 17.114 ( -0.000 -0.000 -6.595) 6.595 17.114 ( -0.000 0.000 -6.595) 6.595 17.714 ( 0.000 0.000 -14.576) 14.576 17.714 ( 0.000 0.000 -14.576) 14.576 18.107 ( 0.000 -0.000 -8.794) 8.794 18.107 ( 0.000 0.000 -8.794) 8.794 21.229 ( 0.000 0.000 6.832) 6.832 21.229 ( 0.000 0.000 6.832) 6.832 21.842 ( -0.000 0.000 -0.135) 0.135 21.842 ( 0.000 0.000 -0.135) 0.135 22.149 ( 0.000 0.000 6.478) 6.478 22.149 ( 0.000 0.000 6.478) 6.478 23.882 ( 0.000 0.000 -18.597) 18.597 23.882 ( 0.000 0.000 -18.597) 18.597 ======================= Grid point 324 (101/150) ======================= q-point: ( 0.00 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.102 ( 0.000 0.000 26.565) 26.565 4.091 ( 0.000 0.000 39.810) 39.810 5.297 ( 0.000 0.000 -1.294) 1.294 5.581 ( 0.000 0.000 34.674) 34.674 5.927 ( 0.000 0.000 -6.632) 6.632 5.958 ( 0.000 0.000 -11.694) 11.694 6.037 ( 0.000 0.000 5.913) 5.913 6.547 ( 0.000 0.000 -10.448) 10.448 6.924 ( 0.000 0.000 -10.355) 10.355 7.239 ( 0.000 0.000 -18.081) 18.081 7.533 ( 0.000 0.000 -29.359) 29.359 7.637 ( 0.000 0.000 4.551) 4.551 8.085 ( 0.000 0.000 13.989) 13.989 8.259 ( 0.000 0.000 9.666) 9.666 8.629 ( 0.000 0.000 2.849) 2.849 8.810 ( 0.000 0.000 -4.163) 4.163 8.997 ( 0.000 0.000 -7.215) 7.215 9.443 ( 0.000 0.000 -19.111) 19.111 9.953 ( 0.000 0.000 3.903) 3.903 10.356 ( 0.000 0.000 -2.890) 2.890 10.409 ( 0.000 0.000 8.592) 8.592 10.695 ( 0.000 0.000 -21.061) 21.061 10.720 ( 0.000 0.000 7.673) 7.673 10.751 ( 0.000 0.000 10.623) 10.623 11.338 ( 0.000 0.000 4.286) 4.286 11.590 ( 0.000 0.000 -3.818) 3.818 12.189 ( 0.000 0.000 5.847) 5.847 12.847 ( 0.000 0.000 15.728) 15.728 13.025 ( 0.000 0.000 4.965) 4.965 13.092 ( 0.000 0.000 8.961) 8.961 13.288 ( 0.000 0.000 -6.421) 6.421 13.592 ( 0.000 0.000 2.222) 2.222 13.640 ( 0.000 0.000 13.739) 13.739 13.705 ( 0.000 0.000 1.677) 1.677 14.016 ( 0.000 0.000 -13.579) 13.579 14.113 ( 0.000 0.000 0.687) 0.687 14.296 ( 0.000 0.000 5.210) 5.210 14.486 ( 0.000 0.000 12.151) 12.151 14.535 ( 0.000 0.000 17.336) 17.336 14.804 ( 0.000 0.000 2.361) 2.361 15.136 ( 0.000 0.000 1.787) 1.787 15.665 ( 0.000 0.000 12.107) 12.107 16.141 ( 0.000 0.000 -3.404) 3.404 16.251 ( 0.000 0.000 -20.638) 20.638 16.332 ( 0.000 0.000 -2.027) 2.027 16.509 ( 0.000 0.000 -24.615) 24.615 17.086 ( 0.000 0.000 -3.698) 3.698 17.588 ( 0.000 0.000 8.223) 8.223 17.588 ( 0.000 0.000 -13.542) 13.542 17.820 ( 0.000 0.000 -12.843) 12.843 18.869 ( 0.000 0.000 -9.176) 9.176 19.260 ( 0.000 0.000 -1.053) 1.053 20.500 ( 0.000 0.000 9.648) 9.648 21.114 ( 0.000 0.000 -8.144) 8.144 21.622 ( 0.000 0.000 -3.142) 3.142 22.129 ( 0.000 0.000 -3.609) 3.609 22.206 ( 0.000 0.000 -2.439) 2.439 22.669 ( 0.000 0.000 -0.798) 0.798 23.086 ( 0.000 0.000 19.684) 19.684 24.198 ( 0.000 0.000 -16.002) 16.002 ======================= Grid point 325 (102/150) ======================= q-point: ( 0.12 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.431 ( 28.774 0.000 27.389) 39.726 4.059 ( -2.277 0.000 37.845) 37.913 5.210 ( -8.447 0.000 2.179) 8.724 5.508 ( -6.114 0.000 24.300) 25.057 5.777 ( -9.710 0.000 -6.433) 11.647 5.785 ( -5.020 0.000 -12.279) 13.266 6.380 ( 23.929 0.000 9.958) 25.919 6.857 ( 17.039 0.000 -5.564) 17.925 6.949 ( -19.247 0.000 -22.009) 29.238 7.041 ( 16.623 0.000 -11.533) 20.232 7.628 ( -0.367 0.000 3.118) 3.140 7.747 ( 11.308 0.000 -14.954) 18.748 8.183 ( 5.993 0.000 8.502) 10.402 8.308 ( 8.772 0.000 3.906) 9.602 8.640 ( 0.660 0.000 4.445) 4.494 8.824 ( 1.917 0.000 -4.690) 5.067 9.086 ( 7.494 0.000 -8.308) 11.188 9.470 ( 2.637 0.000 -16.648) 16.855 9.986 ( 3.420 0.000 2.689) 4.351 10.183 ( -7.394 0.000 -0.699) 7.427 10.587 ( 4.209 0.000 -6.222) 7.512 10.626 ( -6.872 0.000 8.208) 10.705 10.724 ( 6.293 0.000 -7.401) 9.715 10.835 ( 3.964 0.000 12.559) 13.170 11.238 ( -7.054 0.000 2.313) 7.423 11.553 ( -3.081 0.000 -3.189) 4.434 12.214 ( 1.508 0.000 3.614) 3.916 12.700 ( -26.705 0.000 12.479) 29.477 12.838 ( -3.957 0.000 12.503) 13.114 12.902 ( -10.012 0.000 4.441) 10.952 13.339 ( 0.461 0.000 -1.078) 1.173 13.531 ( -8.339 0.000 -5.542) 10.013 13.612 ( -1.079 0.000 4.340) 4.472 13.859 ( 7.946 0.000 3.647) 8.743 14.069 ( 5.173 0.000 -4.538) 6.881 14.104 ( -0.130 0.000 -3.008) 3.011 14.263 ( -2.383 0.000 9.270) 9.572 14.508 ( 1.824 0.000 18.632) 18.721 14.588 ( 5.538 0.000 11.760) 12.999 14.835 ( 3.239 0.000 2.647) 4.183 15.299 ( 15.311 0.000 1.341) 15.369 15.685 ( 2.151 0.000 11.918) 12.111 16.082 ( -3.821 0.000 -10.931) 11.579 16.306 ( 3.107 0.000 -11.834) 12.235 16.327 ( -0.256 0.000 -4.410) 4.417 16.549 ( 3.684 0.000 -22.276) 22.579 17.105 ( 2.089 0.000 -5.699) 6.070 17.484 ( -9.824 0.000 5.783) 11.400 17.555 ( -3.571 0.000 -13.792) 14.247 17.792 ( -2.810 0.000 -12.912) 13.214 18.733 ( -11.817 0.000 -4.718) 12.724 19.145 ( -10.995 0.000 -1.093) 11.050 20.649 ( 13.433 0.000 7.491) 15.380 21.174 ( 6.034 0.000 -6.691) 9.010 21.641 ( 1.922 0.000 -3.153) 3.692 22.072 ( -5.523 0.000 -2.257) 5.967 22.179 ( -2.600 0.000 -2.501) 3.607 22.788 ( 10.984 0.000 -1.805) 11.131 23.033 ( -5.417 0.000 18.660) 19.430 24.149 ( -4.462 0.000 -15.795) 16.413 ======================= Grid point 326 (103/150) ======================= q-point: ( 0.25 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.013 ( 24.744 0.000 31.754) 40.257 4.045 ( 1.691 0.000 33.222) 33.265 4.979 ( -14.148 0.000 8.288) 16.396 5.288 ( -15.586 0.000 3.425) 15.958 5.746 ( 0.871 0.000 -18.999) 19.019 5.858 ( 19.956 0.000 7.241) 21.229 6.572 ( -18.048 0.000 -23.119) 29.329 6.902 ( 26.883 0.000 14.400) 30.497 7.028 ( 4.724 0.000 -15.189) 15.907 7.528 ( 18.305 0.000 3.064) 18.559 7.689 ( 13.155 0.000 -0.735) 13.176 7.918 ( 6.234 0.000 1.127) 6.335 8.215 ( -0.091 0.000 8.825) 8.825 8.600 ( 5.162 0.000 2.237) 5.626 8.688 ( 14.410 0.000 -7.377) 16.188 8.909 ( 7.042 0.000 -5.289) 8.807 9.232 ( 6.404 0.000 -12.848) 14.355 9.527 ( 2.084 0.000 -11.926) 12.107 10.060 ( 0.537 0.000 0.281) 0.606 10.120 ( 4.144 0.000 -2.371) 4.774 10.432 ( -12.527 0.000 13.015) 18.064 10.570 ( -3.042 0.000 -18.065) 18.320 10.777 ( -10.018 0.000 7.998) 12.819 10.873 ( 2.801 0.000 10.249) 10.625 11.252 ( 9.659 0.000 1.500) 9.775 11.514 ( 0.949 0.000 -0.470) 1.059 12.152 ( -23.305 0.000 7.815) 24.580 12.207 ( -3.038 0.000 -0.779) 3.136 12.707 ( -8.247 0.000 4.091) 9.207 12.731 ( -7.684 0.000 14.343) 16.272 13.265 ( -16.789 0.000 -9.821) 19.450 13.303 ( -5.820 0.000 9.246) 10.925 13.543 ( -4.550 0.000 -4.597) 6.468 13.861 ( -6.380 0.000 -2.813) 6.972 14.178 ( 5.142 0.000 3.535) 6.239 14.199 ( 8.908 0.000 0.514) 8.923 14.256 ( 1.775 0.000 10.023) 10.179 14.514 ( -1.508 0.000 15.052) 15.128 14.771 ( 11.660 0.000 15.933) 19.744 14.934 ( 6.342 0.000 4.379) 7.706 15.649 ( 14.992 0.000 0.749) 15.011 15.788 ( 11.563 0.000 9.474) 14.948 16.022 ( -1.883 0.000 -14.788) 14.908 16.322 ( -0.794 0.000 -4.648) 4.715 16.328 ( -1.356 0.000 -5.854) 6.009 16.648 ( 6.276 0.000 -21.412) 22.313 17.176 ( 5.004 0.000 -9.847) 11.046 17.217 ( -16.124 0.000 2.852) 16.374 17.450 ( -6.880 0.000 -17.628) 18.923 17.711 ( -5.183 0.000 -13.096) 14.085 18.479 ( -11.925 0.000 1.270) 11.992 18.862 ( -16.237 0.000 1.456) 16.302 20.958 ( 15.955 0.000 3.181) 16.269 21.359 ( 12.617 0.000 -2.491) 12.861 21.697 ( 3.637 0.000 -3.164) 4.821 21.923 ( -8.962 0.000 0.465) 8.974 22.106 ( -4.577 0.000 -2.662) 5.295 22.821 ( -12.658 0.000 15.663) 20.138 23.100 ( 15.834 0.000 -3.677) 16.256 24.040 ( -6.244 0.000 -14.715) 15.985 ======================= Grid point 327 (104/150) ======================= q-point: ( 0.38 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.145 ( 8.434 0.000 27.369) 28.639 4.380 ( 14.130 0.000 30.938) 34.012 4.673 ( -15.912 0.000 14.545) 21.558 4.960 ( -16.445 0.000 11.555) 20.099 5.814 ( 5.924 0.000 -22.256) 23.031 6.241 ( -15.020 0.000 -23.599) 27.973 6.417 ( 29.944 0.000 -7.328) 30.828 7.054 ( -3.080 0.000 -20.817) 21.044 7.397 ( 21.824 0.000 13.807) 25.824 7.746 ( 13.164 0.000 14.077) 19.273 7.946 ( -4.803 0.000 8.100) 9.417 8.063 ( 12.602 0.000 4.300) 13.315 8.272 ( 7.071 0.000 9.447) 11.800 8.566 ( -4.239 0.000 9.888) 10.759 9.004 ( 11.455 0.000 -8.652) 14.355 9.123 ( 12.038 0.000 -13.650) 18.200 9.342 ( 5.077 0.000 -16.573) 17.333 9.527 ( -2.177 0.000 -13.194) 13.372 10.074 ( 2.875 0.000 -3.250) 4.339 10.197 ( -7.631 0.000 15.048) 16.872 10.253 ( 6.985 0.000 -2.521) 7.426 10.470 ( -8.056 0.000 -12.655) 15.001 10.527 ( -14.307 0.000 2.174) 14.471 10.706 ( -16.473 0.000 10.706) 19.646 11.521 ( 15.560 0.000 1.352) 15.619 11.659 ( 12.766 0.000 3.701) 13.292 11.908 ( -2.244 0.000 4.194) 4.757 12.079 ( -9.755 0.000 -3.046) 10.219 12.568 ( -6.403 0.000 12.971) 14.466 12.609 ( -0.989 0.000 2.286) 2.491 12.925 ( -15.868 0.000 -7.295) 17.465 13.016 ( -20.779 0.000 9.816) 22.981 13.540 ( 3.423 0.000 -5.771) 6.710 13.731 ( -5.788 0.000 -2.246) 6.209 14.275 ( 4.812 0.000 7.193) 8.654 14.308 ( 3.164 0.000 7.978) 8.582 14.346 ( 4.305 0.000 5.466) 6.958 14.458 ( -3.812 0.000 11.606) 12.216 14.984 ( 8.563 0.000 15.632) 17.824 15.058 ( 5.027 0.000 9.377) 10.640 15.850 ( 9.614 0.000 3.825) 10.347 16.023 ( 2.421 0.000 -14.684) 14.882 16.151 ( 19.646 0.000 0.567) 19.654 16.252 ( -5.893 0.000 -5.238) 7.884 16.258 ( -6.205 0.000 -1.018) 6.288 16.794 ( 4.063 0.000 -14.697) 15.248 16.897 ( -10.825 0.000 -8.772) 13.933 17.281 ( -10.106 0.000 -21.242) 23.524 17.298 ( 7.061 0.000 -12.558) 14.407 17.590 ( -6.805 0.000 -13.318) 14.956 18.309 ( -4.203 0.000 4.996) 6.529 18.546 ( -14.299 0.000 4.677) 15.044 21.246 ( 12.898 0.000 0.016) 12.898 21.632 ( 6.330 0.000 -1.878) 6.603 21.771 ( 1.864 0.000 6.835) 7.085 21.783 ( 4.945 0.000 -3.136) 5.856 22.003 ( -5.597 0.000 -2.862) 6.286 22.498 ( -18.826 0.000 13.277) 23.037 23.424 ( 15.623 0.000 -7.314) 17.251 23.899 ( -8.201 0.000 -12.545) 14.988 ======================= Grid point 328 (105/150) ======================= q-point: (-0.50 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.371 ( -13.810 0.000 20.985) 25.122 4.371 ( 13.810 0.000 20.985) 25.122 4.652 ( -14.247 0.000 22.492) 26.625 4.652 ( 14.247 0.000 22.492) 26.625 5.982 ( -10.826 0.000 -23.527) 25.898 5.982 ( 10.826 0.000 -23.527) 25.898 6.878 ( -15.342 0.000 -18.957) 24.388 6.878 ( 15.342 0.000 -18.957) 24.388 7.753 ( -13.863 0.000 10.758) 17.548 7.753 ( 13.863 0.000 10.758) 17.548 8.051 ( -12.610 0.000 15.168) 19.725 8.051 ( 12.610 0.000 15.168) 19.725 8.441 ( -8.216 0.000 11.144) 13.846 8.441 ( 8.216 0.000 11.144) 13.846 9.186 ( -5.682 0.000 -9.251) 10.857 9.186 ( 5.682 0.000 -9.251) 10.857 9.448 ( -5.288 0.000 -17.009) 17.812 9.448 ( 5.288 0.000 -17.009) 17.812 10.212 ( -11.046 0.000 -5.838) 12.494 10.212 ( 11.046 0.000 -5.838) 12.494 10.245 ( -11.606 0.000 5.714) 12.936 10.245 ( 11.606 0.000 5.714) 12.936 10.441 ( -9.281 0.000 1.103) 9.346 10.441 ( 9.281 0.000 1.103) 9.346 11.830 ( -14.698 0.000 -1.244) 14.751 11.830 ( 14.698 0.000 -1.244) 14.751 11.876 ( -5.724 0.000 6.066) 8.340 11.876 ( 5.724 0.000 6.066) 8.340 12.623 ( -14.228 0.000 8.874) 16.769 12.623 ( 14.228 0.000 8.874) 16.769 12.679 ( -8.106 0.000 -2.394) 8.452 12.679 ( 8.106 0.000 -2.394) 8.452 13.627 ( -4.869 0.000 -3.319) 5.893 13.627 ( 4.869 0.000 -3.319) 5.893 14.365 ( -1.816 0.000 7.936) 8.141 14.365 ( 1.816 0.000 7.936) 8.141 14.371 ( -4.724 0.000 9.461) 10.575 14.371 ( 4.724 0.000 9.461) 10.575 15.092 ( -2.002 0.000 12.940) 13.094 15.092 ( 2.002 0.000 12.940) 13.094 16.066 ( -11.350 0.000 1.324) 11.427 16.066 ( 11.350 0.000 1.324) 11.427 16.119 ( -6.603 0.000 -9.717) 11.748 16.119 ( 6.603 0.000 -9.717) 11.748 16.527 ( -17.417 0.000 -0.738) 17.432 16.527 ( 17.417 0.000 -0.738) 17.432 17.055 ( -12.068 0.000 -23.698) 26.594 17.055 ( 12.068 0.000 -23.698) 26.594 17.446 ( -7.511 0.000 -13.347) 15.315 17.446 ( 7.511 0.000 -13.347) 15.315 18.332 ( -6.422 0.000 6.152) 8.893 18.332 ( 6.422 0.000 6.152) 8.893 21.483 ( -11.045 0.000 -0.610) 11.062 21.483 ( 11.045 0.000 -0.610) 11.062 21.890 ( -5.662 0.000 -3.035) 6.424 21.890 ( 5.662 0.000 -3.035) 6.424 22.101 ( -20.323 0.000 9.864) 22.590 22.101 ( 20.323 0.000 9.864) 22.590 23.701 ( -11.912 0.000 -9.984) 15.543 23.701 ( 11.912 0.000 -9.984) 15.543 ======================= Grid point 333 (106/150) ======================= q-point: ( 0.00 0.12 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.140 ( 0.000 4.026 24.735) 25.060 4.033 ( 0.000 -4.761 41.386) 41.659 5.261 ( 0.000 -3.003 4.840) 5.696 5.660 ( 0.000 -28.448 -0.182) 28.449 5.678 ( 0.000 10.358 4.610) 11.338 6.055 ( 0.000 9.660 -13.577) 16.663 6.179 ( 0.000 20.979 14.894) 25.728 6.753 ( 0.000 0.191 -1.304) 1.318 6.893 ( 0.000 9.730 -10.872) 14.590 7.275 ( 0.000 -10.983 -12.176) 16.397 7.283 ( 0.000 0.143 -12.741) 12.742 7.884 ( 0.000 12.221 -8.626) 14.959 8.145 ( 0.000 7.778 8.997) 11.893 8.414 ( 0.000 13.927 7.325) 15.735 8.586 ( 0.000 -2.181 2.769) 3.524 8.771 ( 0.000 -4.585 -4.632) 6.517 8.950 ( 0.000 -4.620 -7.958) 9.202 9.448 ( 0.000 1.728 -20.103) 20.177 9.938 ( 0.000 -2.431 1.420) 2.816 10.297 ( 0.000 -5.458 -4.160) 6.862 10.368 ( 0.000 -4.160 10.487) 11.282 10.649 ( 0.000 -1.463 -15.129) 15.200 10.819 ( 0.000 6.446 11.036) 12.781 10.832 ( 0.000 7.332 5.713) 9.295 11.354 ( 0.000 1.323 4.091) 4.300 11.565 ( 0.000 -2.512 -2.417) 3.486 12.141 ( 0.000 -5.402 10.488) 11.797 12.673 ( 0.000 -7.870 4.290) 8.963 12.842 ( 0.000 -19.927 6.548) 20.975 13.192 ( 0.000 -0.121 2.334) 2.337 13.314 ( 0.000 10.736 1.785) 10.884 13.539 ( 0.000 -9.971 10.903) 14.775 13.667 ( 0.000 0.553 4.599) 4.632 13.731 ( 0.000 2.786 0.938) 2.939 14.061 ( 0.000 -3.924 4.099) 5.674 14.070 ( 0.000 3.943 -12.031) 12.661 14.282 ( 0.000 -0.713 9.669) 9.695 14.512 ( 0.000 0.812 7.570) 7.613 14.619 ( 0.000 7.949 11.868) 14.284 14.800 ( 0.000 3.876 3.690) 5.351 15.177 ( 0.000 4.579 2.342) 5.143 15.806 ( 0.000 12.405 8.316) 14.935 16.175 ( 0.000 3.293 -3.728) 4.974 16.199 ( 0.000 -4.700 -21.775) 22.277 16.396 ( 0.000 6.451 -2.117) 6.790 16.535 ( 0.000 1.699 -21.152) 21.220 17.130 ( 0.000 3.931 -0.713) 3.995 17.575 ( 0.000 -1.214 -13.745) 13.799 17.609 ( 0.000 2.593 6.567) 7.060 17.825 ( 0.000 0.370 -11.804) 11.810 18.758 ( 0.000 -10.679 -7.986) 13.335 19.189 ( 0.000 -7.152 -1.317) 7.273 20.535 ( 0.000 3.812 8.638) 9.442 21.115 ( 0.000 0.124 -7.979) 7.980 21.655 ( 0.000 2.968 -2.437) 3.841 22.143 ( 0.000 1.446 -3.495) 3.782 22.274 ( 0.000 6.651 -3.094) 7.335 22.642 ( 0.000 -2.676 -0.904) 2.824 23.019 ( 0.000 -6.748 18.833) 20.005 24.090 ( 0.000 -10.479 -15.632) 18.820 ======================= Grid point 334 (107/150) ======================= q-point: ( 0.12 0.12 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.465 ( 28.142 3.793 25.709) 38.305 4.016 ( 0.297 -3.412 37.840) 37.995 5.211 ( -5.201 -0.660 5.074) 7.296 5.528 ( -5.802 1.184 -0.878) 5.986 5.837 ( 1.816 2.831 1.851) 3.839 6.006 ( -4.687 15.169 6.536) 17.169 6.202 ( 13.452 -2.081 -2.437) 13.828 6.851 ( 0.905 -8.748 -8.797) 12.439 6.942 ( -8.297 -1.554 -13.097) 15.581 7.124 ( 15.189 7.939 -9.678) 19.682 7.503 ( 9.120 -1.553 0.243) 9.255 7.870 ( 0.325 5.447 -2.459) 5.986 8.257 ( 5.518 8.217 2.996) 10.342 8.468 ( 7.769 12.345 3.359) 14.968 8.612 ( 2.309 -0.683 2.717) 3.630 8.750 ( 0.393 -6.243 -4.845) 7.912 9.078 ( 9.992 -1.902 -8.694) 13.381 9.459 ( 1.137 -0.147 -18.868) 18.903 9.949 ( 1.063 -3.887 1.027) 4.159 10.151 ( -7.163 -2.996 0.306) 7.770 10.442 ( -0.218 -8.838 -1.429) 8.956 10.713 ( 2.904 -0.310 -8.202) 8.706 10.755 ( 0.159 6.596 6.842) 9.505 10.909 ( 2.344 6.546 13.593) 15.268 11.284 ( -3.349 4.232 1.910) 5.725 11.534 ( -2.280 -2.009 -1.936) 3.603 12.175 ( 2.116 -4.502 8.037) 9.452 12.513 ( -23.434 -15.984 6.101) 29.015 12.674 ( -3.581 -5.310 7.659) 9.984 13.148 ( -10.740 11.332 8.625) 17.837 13.259 ( 0.077 -6.897 -2.373) 7.294 13.544 ( -0.095 -6.313 4.836) 7.953 13.578 ( -7.797 3.072 -3.218) 8.977 13.865 ( 9.268 0.849 3.807) 10.055 14.031 ( -2.453 -5.311 -0.661) 5.888 14.086 ( -1.097 0.052 0.265) 1.130 14.364 ( 8.196 7.652 9.375) 14.615 14.537 ( 3.916 -1.939 9.017) 10.020 14.590 ( -2.413 6.279 11.471) 13.298 14.841 ( 4.458 2.324 3.178) 5.947 15.350 ( 15.499 5.506 1.204) 16.492 15.805 ( 0.179 10.683 8.002) 13.349 16.092 ( -3.930 0.553 -13.040) 13.630 16.283 ( 3.844 -1.511 -11.496) 12.216 16.375 ( -1.459 4.599 -4.646) 6.698 16.586 ( 4.278 3.220 -17.597) 18.394 17.139 ( 1.145 2.917 -2.491) 4.003 17.499 ( -9.314 1.387 0.941) 9.464 17.549 ( -4.041 0.028 -10.957) 11.678 17.796 ( -2.919 0.230 -11.822) 12.179 18.641 ( -10.433 -9.046 -4.913) 14.657 19.070 ( -11.191 -7.393 -0.687) 13.431 20.676 ( 12.688 2.953 6.733) 14.664 21.179 ( 6.349 0.478 -6.585) 9.159 21.662 ( 0.940 1.916 -2.306) 3.142 22.063 ( -7.106 -0.462 -1.803) 7.346 22.252 ( -2.452 6.414 -2.600) 7.342 22.776 ( 12.105 -1.033 -2.844) 12.477 22.974 ( -4.682 -5.784 18.126) 19.594 24.050 ( -3.612 -9.646 -15.753) 18.822 ======================= Grid point 335 (108/150) ======================= q-point: ( 0.25 0.12 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.929 ( 12.369 -0.720 32.218) 34.519 4.209 ( 20.579 9.021 28.732) 36.475 5.051 ( -10.478 6.282 9.804) 15.664 5.373 ( -12.050 8.674 -0.851) 14.871 5.831 ( 2.311 8.983 -8.691) 12.711 6.029 ( 10.575 14.863 3.174) 18.516 6.543 ( -2.462 -8.812 -11.924) 15.029 6.698 ( 11.114 -5.972 2.861) 12.937 6.996 ( 6.968 -9.172 -15.585) 19.379 7.454 ( 12.152 -14.188 -7.301) 20.057 7.718 ( 13.579 14.105 7.398) 20.930 7.927 ( 5.618 -3.079 5.695) 8.572 8.286 ( -0.224 7.249 5.640) 9.188 8.564 ( -1.306 -3.239 6.139) 7.063 8.765 ( 11.070 1.827 -6.704) 13.070 8.857 ( 10.993 0.725 -6.862) 12.979 9.263 ( 7.308 0.419 -14.039) 15.833 9.485 ( 0.843 -4.268 -14.402) 15.045 9.973 ( 0.990 -6.566 1.359) 6.778 10.070 ( -0.178 -4.121 -1.530) 4.400 10.367 ( -6.384 -5.722 -1.957) 8.794 10.633 ( -6.322 3.702 -1.065) 7.403 10.779 ( -5.196 1.981 5.337) 7.707 10.923 ( 0.586 4.634 11.412) 12.331 11.351 ( 8.092 7.641 1.440) 11.222 11.540 ( 5.361 2.749 -0.029) 6.025 11.971 ( -23.746 -13.435 4.604) 27.669 12.210 ( -1.307 -2.981 4.673) 5.695 12.603 ( -3.972 -3.242 7.706) 9.256 12.911 ( -11.558 9.908 7.117) 16.805 13.263 ( -0.861 -5.082 6.365) 8.190 13.326 ( -16.319 5.073 -6.753) 18.375 13.464 ( -8.433 -5.606 -1.423) 10.225 13.827 ( -9.376 -3.628 -0.855) 10.090 14.137 ( 8.217 -3.863 3.052) 9.578 14.155 ( 9.372 -0.572 7.424) 11.970 14.431 ( 0.063 11.473 6.640) 13.256 14.542 ( -1.920 4.035 12.132) 12.929 14.751 ( 13.919 -1.429 11.229) 17.941 14.963 ( 7.207 3.026 3.509) 8.568 15.694 ( 14.633 4.485 -1.028) 15.340 15.847 ( 6.992 5.143 4.634) 9.839 16.043 ( -0.402 2.301 -11.891) 12.118 16.317 ( -1.699 -0.401 -3.889) 4.263 16.351 ( -0.522 1.929 -7.889) 8.138 16.682 ( 5.240 3.550 -16.159) 17.354 17.178 ( -0.377 0.157 -3.982) 4.003 17.251 ( -11.086 3.233 -2.599) 11.837 17.441 ( -6.901 -0.592 -17.244) 18.583 17.713 ( -5.250 -0.066 -11.913) 13.019 18.411 ( -11.101 -6.780 -0.207) 13.009 18.788 ( -15.960 -7.135 1.652) 17.560 20.968 ( 15.085 1.210 3.125) 15.453 21.367 ( 12.495 0.857 -2.666) 12.805 21.699 ( 2.766 0.110 -2.162) 3.512 21.890 ( -9.617 -2.582 0.551) 9.973 22.178 ( -4.706 6.145 -1.697) 7.923 22.798 ( -11.837 -2.415 15.361) 19.542 23.086 ( 16.483 -1.038 -5.228) 17.324 23.963 ( -4.928 -7.482 -15.210) 17.652 ======================= Grid point 336 (109/150) ======================= q-point: ( 0.38 0.12 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.172 ( 14.428 4.977 26.531) 30.607 4.543 ( 11.453 13.570 27.838) 33.019 4.818 ( -12.535 13.897 16.611) 25.024 5.063 ( -16.890 10.487 9.278) 21.939 5.907 ( 5.241 8.868 -18.401) 21.088 6.250 ( -8.122 1.897 -21.680) 23.229 6.506 ( 21.250 7.173 -6.358) 23.312 6.965 ( 3.870 -11.182 -6.339) 13.424 7.205 ( 15.481 -10.961 0.286) 18.971 7.661 ( 7.355 -17.752 4.274) 19.685 7.893 ( 5.138 3.525 7.677) 9.888 8.109 ( 9.524 0.441 8.739) 12.933 8.316 ( 3.705 3.498 7.743) 9.269 8.502 ( -4.647 -4.375 7.554) 9.889 8.957 ( 8.744 -3.900 -5.326) 10.956 9.054 ( 5.525 -4.908 -11.174) 13.397 9.355 ( 2.205 -3.228 -19.741) 20.125 9.467 ( -2.840 -6.135 -11.235) 13.112 10.023 ( 5.788 -2.093 1.554) 6.348 10.122 ( 3.443 -8.631 -3.073) 9.787 10.232 ( -5.527 -0.439 -0.505) 5.567 10.488 ( -8.766 4.343 0.324) 9.788 10.642 ( -8.058 8.045 5.850) 12.801 10.786 ( -11.842 6.879 8.418) 16.076 11.511 ( 7.171 -0.540 -0.644) 7.220 11.630 ( -2.323 -8.175 1.503) 8.631 11.850 ( 16.088 3.772 2.427) 16.702 12.182 ( -0.677 4.849 2.418) 5.460 12.525 ( -3.441 -1.910 10.938) 11.625 12.729 ( -5.344 9.132 3.369) 11.105 12.954 ( -19.376 2.777 -1.305) 19.617 13.054 ( -19.204 3.793 3.852) 19.951 13.418 ( 4.338 -11.021 -2.011) 12.014 13.662 ( -7.081 -6.599 0.955) 9.726 14.266 ( 5.846 0.250 7.331) 9.380 14.331 ( 5.334 -0.790 7.670) 9.376 14.437 ( 1.111 9.492 6.090) 11.333 14.505 ( -1.861 4.806 9.275) 10.610 14.991 ( 9.350 1.026 10.056) 13.769 15.096 ( 4.886 3.864 7.107) 9.451 15.848 ( 6.400 -0.148 0.369) 6.413 16.040 ( 5.624 1.057 -12.189) 13.466 16.190 ( 10.579 1.818 -1.655) 10.861 16.222 ( -1.671 1.552 2.327) 3.258 16.315 ( -3.954 2.828 -6.307) 7.963 16.783 ( 0.631 -0.619 -9.808) 9.848 16.936 ( -8.197 4.226 -11.540) 14.772 17.269 ( -8.962 -0.996 -19.965) 21.907 17.317 ( 5.852 1.481 -11.381) 12.882 17.594 ( -6.532 -0.005 -12.119) 13.767 18.249 ( -4.147 -5.826 3.100) 7.794 18.478 ( -14.015 -6.537 4.110) 16.001 21.242 ( 12.284 -0.321 0.643) 12.305 21.627 ( 4.407 -0.631 -2.109) 4.926 21.719 ( 1.065 -3.764 5.644) 6.867 21.778 ( 4.322 -0.483 -2.247) 4.895 22.082 ( -3.954 6.347 -0.489) 7.494 22.502 ( -17.099 0.250 12.367) 21.104 23.409 ( 15.164 -1.311 -8.385) 17.377 23.848 ( -6.950 -4.907 -13.330) 15.813 ======================= Grid point 337 (110/150) ======================= q-point: (-0.50 0.12 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.494 ( -16.390 12.061 19.814) 28.402 4.494 ( 16.390 12.061 19.814) 28.402 4.778 ( -10.812 12.345 22.030) 27.470 4.778 ( 10.812 12.345 22.030) 27.470 6.050 ( -9.090 6.543 -21.775) 24.486 6.050 ( 9.090 6.543 -21.775) 24.486 6.875 ( -11.802 -0.944 -15.121) 19.205 6.875 ( 11.802 -0.944 -15.121) 19.205 7.547 ( -15.507 -15.860 9.480) 24.122 7.547 ( 15.507 -15.860 9.480) 24.122 8.108 ( -10.729 1.272 12.247) 16.331 8.108 ( 10.729 1.272 12.247) 16.331 8.405 ( -4.552 -2.496 8.440) 9.909 8.405 ( 4.552 -2.496 8.440) 9.909 9.079 ( -2.660 -9.744 -10.954) 14.900 9.079 ( 2.660 -9.744 -10.954) 14.900 9.395 ( -3.184 -5.782 -15.269) 16.635 9.395 ( 3.184 -5.782 -15.269) 16.635 10.163 ( -2.570 -4.152 1.495) 5.107 10.163 ( 2.570 -4.152 1.495) 5.107 10.228 ( -13.490 1.222 -0.536) 13.555 10.228 ( 13.490 1.222 -0.536) 13.555 10.611 ( -5.452 12.553 3.776) 14.198 10.611 ( 5.452 12.553 3.776) 14.198 11.605 ( -2.403 -10.149 -0.769) 10.458 11.605 ( 2.403 -10.149 -0.769) 10.458 12.148 ( -7.692 14.563 5.178) 17.265 12.148 ( 7.692 14.563 5.178) 17.265 12.582 ( -14.012 -3.201 7.396) 16.164 12.582 ( 14.012 -3.201 7.396) 16.164 12.750 ( -8.239 6.089 -1.527) 10.358 12.750 ( 8.239 6.089 -1.527) 10.358 13.531 ( -6.300 -8.808 0.897) 10.866 13.531 ( 6.300 -8.808 0.897) 10.866 14.354 ( -2.375 0.493 8.943) 9.266 14.354 ( 2.375 0.493 8.943) 9.266 14.469 ( -1.724 7.332 6.901) 10.216 14.469 ( 1.724 7.332 6.901) 10.216 15.116 ( -2.988 2.736 8.464) 9.384 15.116 ( 2.988 2.736 8.464) 9.384 16.017 ( -10.065 -3.281 -0.596) 10.603 16.017 ( 10.065 -3.281 -0.596) 10.603 16.179 ( -7.584 3.875 -6.920) 10.973 16.179 ( 7.584 3.875 -6.920) 10.973 16.548 ( -16.178 2.164 -1.061) 16.356 16.548 ( 16.178 2.164 -1.061) 16.356 17.056 ( -11.024 0.581 -22.312) 24.893 17.056 ( 11.024 0.581 -22.312) 24.893 17.457 ( -7.150 0.665 -12.083) 14.056 17.457 ( 7.150 0.665 -12.083) 14.056 18.269 ( -6.187 -6.051 4.760) 9.877 18.269 ( 6.187 -6.051 4.760) 9.877 21.466 ( -10.515 -1.674 0.172) 10.649 21.466 ( 10.515 -1.674 0.172) 10.649 21.850 ( -2.069 -2.663 -0.557) 3.418 21.850 ( 2.069 -2.663 -0.557) 3.418 22.162 ( -14.613 4.773 7.416) 17.068 22.162 ( 14.613 4.773 7.416) 17.068 23.672 ( -10.997 -2.739 -10.916) 15.734 23.672 ( 10.997 -2.739 -10.916) 15.734 ======================= Grid point 342 (111/150) ======================= q-point: ( 0.00 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.271 ( 0.000 9.760 19.741) 22.022 3.976 ( 0.000 0.727 38.808) 38.814 5.066 ( 0.000 -31.221 -1.296) 31.248 5.141 ( 0.000 -10.871 8.504) 13.803 5.946 ( 0.000 15.072 -10.586) 18.418 6.264 ( 0.000 10.188 -9.683) 14.055 6.604 ( 0.000 -9.074 2.019) 9.296 6.639 ( 0.000 25.076 9.927) 26.970 6.995 ( 0.000 -11.078 -6.374) 12.781 7.256 ( 0.000 10.065 -0.308) 10.070 7.359 ( 0.000 15.217 -3.069) 15.523 8.067 ( 0.000 6.205 -6.222) 8.787 8.386 ( 0.000 13.329 -1.342) 13.396 8.560 ( 0.000 -10.335 1.360) 10.424 8.611 ( 0.000 3.566 0.862) 3.669 8.772 ( 0.000 14.611 -1.799) 14.722 8.872 ( 0.000 1.043 -6.925) 7.003 9.517 ( 0.000 3.369 -23.110) 23.354 9.823 ( 0.000 -9.671 -2.265) 9.932 10.199 ( 0.000 -1.808 -5.758) 6.035 10.238 ( 0.000 -9.633 12.709) 15.947 10.651 ( 0.000 1.767 -10.429) 10.578 10.952 ( 0.000 3.718 12.028) 12.589 10.985 ( 0.000 10.306 12.748) 16.393 11.365 ( 0.000 -1.927 3.568) 4.056 11.507 ( 0.000 -1.869 0.920) 2.083 11.974 ( 0.000 -11.080 16.996) 20.289 12.439 ( 0.000 -19.469 2.577) 19.639 12.614 ( 0.000 1.218 -4.785) 4.938 13.092 ( 0.000 -6.908 -7.790) 10.412 13.252 ( 0.000 -17.854 7.701) 19.444 13.520 ( 0.000 -14.861 3.346) 15.233 13.571 ( 0.000 12.289 11.758) 17.008 13.816 ( 0.000 5.846 0.167) 5.849 14.021 ( 0.000 0.889 5.978) 6.044 14.100 ( 0.000 -1.363 -4.515) 4.717 14.280 ( 0.000 -0.347 8.537) 8.544 14.470 ( 0.000 -4.251 11.037) 11.827 14.830 ( 0.000 13.432 5.526) 14.524 15.045 ( 0.000 18.926 -2.593) 19.102 15.323 ( 0.000 9.930 3.311) 10.468 16.040 ( 0.000 7.575 -3.986) 8.560 16.090 ( 0.000 -5.794 -22.325) 23.065 16.280 ( 0.000 9.113 2.219) 9.379 16.532 ( 0.000 -2.913 -14.428) 14.719 16.576 ( 0.000 11.544 -2.461) 11.804 17.203 ( 0.000 2.462 5.180) 5.735 17.546 ( 0.000 -1.614 -13.322) 13.420 17.714 ( 0.000 8.795 2.057) 9.032 17.830 ( 0.000 0.213 -9.270) 9.272 18.490 ( 0.000 -15.618 -6.062) 16.753 18.986 ( 0.000 -13.442 -2.012) 13.592 20.654 ( 0.000 8.359 5.122) 9.803 21.117 ( 0.000 -0.086 -7.557) 7.557 21.724 ( 0.000 4.051 0.753) 4.121 22.186 ( 0.000 2.959 -3.176) 4.341 22.419 ( 0.000 5.124 -0.541) 5.152 22.569 ( 0.000 -4.700 -1.203) 4.851 22.859 ( 0.000 -6.853 12.089) 13.896 23.824 ( 0.000 -15.712 -14.847) 21.617 ======================= Grid point 343 (112/150) ======================= q-point: ( 0.12 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.598 ( 28.357 10.265 20.448) 36.437 3.985 ( 4.080 1.663 34.334) 34.616 5.097 ( 1.860 -13.918 9.290) 16.837 5.348 ( 17.603 -17.417 0.696) 24.773 5.950 ( 1.241 11.842 -6.969) 13.796 6.240 ( -1.874 11.233 -6.848) 13.289 6.494 ( -7.002 13.377 2.621) 15.324 6.659 ( 0.570 -0.397 2.817) 2.901 6.887 ( -10.023 -4.582 -5.681) 12.399 7.231 ( 2.369 5.262 -11.042) 12.459 7.582 ( 14.945 8.847 7.103) 18.764 8.004 ( -4.199 7.698 -2.826) 9.212 8.472 ( 3.060 8.836 -4.892) 10.553 8.522 ( -1.759 -7.306 2.421) 7.895 8.666 ( 4.943 5.837 1.732) 7.842 8.751 ( 3.029 7.512 -2.214) 8.396 9.024 ( 10.101 -0.342 -7.782) 12.756 9.483 ( -3.352 1.213 -22.311) 22.594 9.822 ( 0.416 -9.225 -4.257) 10.168 10.073 ( -7.297 -5.171 3.860) 9.741 10.290 ( 1.070 -4.878 0.659) 5.037 10.714 ( 3.663 1.241 -5.764) 6.942 10.883 ( -2.279 5.954 10.211) 12.038 11.038 ( -0.368 5.629 14.058) 15.148 11.362 ( 3.331 0.916 2.397) 4.205 11.483 ( -1.476 -1.178 1.556) 2.447 12.020 ( 3.266 -11.666 15.821) 19.926 12.206 ( -19.346 -13.084 1.816) 23.426 12.636 ( -0.383 1.357 -2.347) 2.738 13.035 ( -2.684 -13.188 -2.133) 13.626 13.306 ( -9.856 0.016 5.951) 11.514 13.370 ( 4.629 -10.743 1.043) 11.744 13.610 ( -3.455 1.377 4.710) 6.001 13.896 ( 6.703 3.159 1.980) 7.670 13.976 ( -7.160 -0.744 2.654) 7.672 14.079 ( 0.408 0.249 7.532) 7.548 14.405 ( 12.410 -2.702 3.962) 13.305 14.489 ( 1.750 -1.943 12.088) 12.368 14.841 ( -0.113 15.277 3.291) 15.628 14.985 ( -1.014 13.506 0.875) 13.572 15.516 ( 15.126 10.972 -0.257) 18.688 15.986 ( -3.762 2.945 -10.430) 11.472 16.096 ( -0.480 1.050 -11.074) 11.134 16.300 ( 1.705 5.217 -3.062) 6.284 16.469 ( -3.877 2.838 -6.676) 8.225 16.665 ( 6.078 5.737 -7.625) 11.314 17.187 ( -1.304 1.100 3.882) 4.241 17.499 ( -5.088 -1.110 -12.846) 13.862 17.626 ( -8.006 8.297 -1.330) 11.607 17.795 ( -3.457 -0.245 -9.136) 9.771 18.408 ( -7.457 -13.700 -4.928) 16.358 18.871 ( -10.687 -12.705 -1.283) 16.651 20.772 ( 10.629 6.952 4.225) 13.385 21.189 ( 7.073 0.395 -6.312) 9.489 21.705 ( -1.270 2.399 0.585) 2.777 22.055 ( -10.532 -0.703 -0.320) 10.561 22.382 ( -2.649 5.338 -0.059) 5.960 22.744 ( 12.035 -4.760 0.477) 12.950 22.852 ( 0.121 -2.366 7.665) 8.023 23.804 ( -1.651 -14.601 -15.726) 21.523 ======================= Grid point 344 (113/150) ======================= q-point: ( 0.25 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.025 ( 14.254 10.620 27.970) 33.140 4.377 ( 30.251 8.806 22.454) 38.689 5.146 ( 2.727 0.615 15.357) 15.609 5.561 ( -0.957 6.495 -3.043) 7.236 6.023 ( 3.670 5.886 -2.267) 7.298 6.275 ( 7.684 5.669 6.274) 11.425 6.409 ( -1.460 5.642 -9.720) 11.333 6.683 ( 4.873 -15.715 -9.695) 19.097 6.739 ( -1.162 5.575 -0.686) 5.736 7.294 ( 3.091 -2.155 -8.960) 9.720 7.826 ( 5.104 -3.907 5.803) 8.660 7.984 ( 5.566 10.859 0.689) 12.222 8.455 ( -1.743 -2.180 -3.058) 4.140 8.476 ( -3.840 4.901 5.788) 8.501 8.793 ( 7.216 3.967 1.565) 8.382 8.890 ( 6.633 -1.026 -7.070) 9.748 9.181 ( 4.531 -8.399 -11.786) 15.165 9.387 ( -6.021 -5.084 -17.776) 19.444 9.868 ( 4.553 -5.114 -6.491) 9.435 9.961 ( -3.195 -6.976 3.359) 8.376 10.274 ( -2.414 -1.505 -0.706) 2.931 10.708 ( -2.720 5.604 3.415) 7.104 10.859 ( -2.151 4.481 7.675) 9.144 11.016 ( -0.588 3.845 8.347) 9.209 11.475 ( 2.798 5.225 0.604) 5.957 11.534 ( 6.628 -8.754 5.571) 12.313 11.783 ( -15.137 -1.148 -0.568) 15.191 12.084 ( 2.735 -8.588 13.065) 15.873 12.601 ( -2.354 2.526 1.022) 3.601 12.985 ( -3.919 -8.444 0.957) 9.358 13.155 ( -2.652 1.079 6.451) 7.058 13.359 ( -10.054 -3.475 6.491) 12.462 13.439 ( -11.250 2.770 -5.636) 12.884 13.730 ( -13.889 -5.379 2.676) 15.133 14.085 ( 10.755 -0.015 6.507) 12.570 14.179 ( 8.111 2.159 8.782) 12.148 14.514 ( 1.809 0.238 9.199) 9.378 14.644 ( 5.073 -1.388 10.900) 12.103 14.864 ( 7.034 16.092 -4.179) 18.052 15.064 ( 7.335 7.992 4.000) 11.563 15.817 ( 10.757 7.622 -4.316) 13.872 15.929 ( 0.589 2.054 -11.811) 12.003 16.094 ( 1.881 1.234 -4.269) 4.826 16.332 ( 1.261 2.102 -6.644) 7.082 16.381 ( -5.061 2.003 -2.056) 5.818 16.781 ( 4.527 6.219 -6.649) 10.167 17.171 ( -0.273 -1.882 0.531) 1.975 17.321 ( -11.410 3.407 -9.473) 15.216 17.461 ( -7.624 3.941 -12.513) 15.173 17.699 ( -5.893 -1.328 -8.848) 10.714 18.237 ( -8.591 -10.073 -3.124) 13.603 18.605 ( -14.940 -11.143 0.101) 18.639 21.017 ( 12.665 4.159 2.719) 13.605 21.388 ( 12.358 0.950 -3.156) 12.790 21.697 ( 0.746 -0.325 0.316) 0.873 21.832 ( -10.924 -3.509 1.934) 11.636 22.307 ( -4.880 6.275 1.112) 8.026 22.724 ( -8.490 -5.166 13.708) 16.932 23.083 ( 16.172 1.470 -9.401) 18.764 23.771 ( -1.651 -11.426 -16.422) 20.074 ======================= Grid point 345 (114/150) ======================= q-point: ( 0.38 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.372 ( 20.788 15.145 23.050) 34.537 4.824 ( 13.656 14.113 21.987) 29.481 5.151 ( -3.675 18.156 21.953) 28.724 5.348 ( -17.150 17.338 4.714) 24.839 6.109 ( 4.943 8.930 -8.809) 13.482 6.320 ( -5.960 4.125 -19.209) 20.532 6.524 ( 17.188 -9.504 3.463) 19.943 6.764 ( 2.864 -3.440 1.632) 4.764 7.008 ( 18.517 -11.672 -6.479) 22.828 7.361 ( 3.896 -6.756 -3.711) 8.637 7.834 ( 0.729 -7.053 4.042) 8.162 8.129 ( 3.267 -0.154 5.369) 6.287 8.407 ( -1.274 6.575 4.135) 7.871 8.436 ( -0.339 -1.859 1.341) 2.317 8.891 ( -0.361 -3.825 -9.571) 10.313 8.918 ( -2.698 -9.042 -6.893) 11.685 9.203 ( -0.708 -10.792 -16.747) 19.936 9.282 ( -3.543 -11.384 -10.004) 15.564 9.944 ( 2.707 -8.819 0.715) 9.253 10.005 ( 7.167 -3.461 -3.892) 8.859 10.213 ( -2.596 2.480 1.123) 3.762 10.650 ( -7.619 10.411 9.546) 16.049 10.790 ( -3.151 5.897 6.706) 9.470 10.921 ( -6.716 6.176 5.465) 10.635 11.429 ( -2.317 -8.627 -3.835) 9.721 11.519 ( 0.258 1.465 -1.291) 1.969 11.975 ( 20.887 4.616 4.374) 21.833 12.192 ( 9.772 -2.941 10.170) 14.407 12.551 ( -3.339 4.817 6.183) 8.519 12.854 ( -9.782 -0.106 4.612) 10.815 13.039 ( -16.789 6.321 3.488) 18.275 13.140 ( -17.046 2.587 -4.767) 17.888 13.202 ( 4.867 -6.047 7.145) 10.550 13.506 ( -8.830 -8.372 4.329) 12.916 14.279 ( 7.932 1.180 6.655) 10.421 14.336 ( 6.005 1.131 9.948) 11.675 14.554 ( 2.180 3.127 8.229) 9.069 14.640 ( -2.166 4.970 8.443) 10.034 15.072 ( 10.229 9.018 -3.715) 14.134 15.212 ( 5.553 8.102 3.177) 10.324 15.854 ( 0.969 0.878 -4.996) 5.164 16.026 ( 2.592 -3.272 -5.908) 7.234 16.173 ( -0.646 -0.530 -5.062) 5.130 16.314 ( -1.589 -3.880 -10.422) 11.234 16.370 ( 8.032 10.338 4.463) 13.831 16.806 ( -3.587 3.671 -2.951) 5.920 17.059 ( -5.794 7.700 -11.027) 14.644 17.237 ( -3.286 -2.936 -15.031) 15.663 17.348 ( 0.356 2.070 -10.109) 10.325 17.574 ( -6.331 -2.122 -8.800) 11.046 18.106 ( -3.633 -7.961 -1.819) 8.938 18.316 ( -13.095 -9.465 0.792) 16.177 21.244 ( 9.854 0.804 2.205) 10.130 21.588 ( -5.184 -3.896 -0.110) 6.486 21.672 ( 8.160 -0.396 3.677) 8.959 21.767 ( 4.258 -0.651 -1.047) 4.433 22.207 ( -3.915 5.940 2.647) 7.591 22.497 ( -13.370 -1.014 10.593) 17.088 23.386 ( 13.533 -0.673 -11.335) 17.666 23.724 ( -3.666 -7.308 -15.225) 17.281 ======================= Grid point 346 (115/150) ======================= q-point: (-0.50 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.807 ( -19.852 18.709 17.658) 32.495 4.807 ( 19.852 18.709 17.658) 32.495 5.095 ( -6.254 18.809 20.290) 28.365 5.095 ( 6.254 18.809 20.290) 28.365 6.206 ( -5.183 8.081 -16.983) 19.508 6.206 ( 5.183 8.081 -16.983) 19.508 6.775 ( -4.312 -10.769 -0.193) 11.602 6.775 ( 4.312 -10.769 -0.193) 11.602 7.299 ( -11.649 -6.921 -1.063) 13.591 7.299 ( 11.649 -6.921 -1.063) 13.591 8.005 ( -13.433 -9.484 7.126) 17.921 8.005 ( 13.433 -9.484 7.126) 17.921 8.430 ( -1.180 4.631 3.587) 5.975 8.430 ( 1.180 4.631 3.587) 5.975 8.853 ( -1.945 -12.209 -15.426) 19.769 8.853 ( 1.945 -12.209 -15.426) 19.769 9.226 ( -2.480 -11.232 -10.774) 15.761 9.226 ( 2.480 -11.232 -10.774) 15.761 10.030 ( -4.711 -8.254 -3.473) 10.119 10.030 ( 4.711 -8.254 -3.473) 10.119 10.342 ( -15.925 8.535 10.863) 21.082 10.342 ( 15.925 8.535 10.863) 21.082 10.829 ( -3.937 8.510 2.267) 9.647 10.829 ( 3.937 8.510 2.267) 9.647 11.473 ( -3.942 -2.844 -2.271) 5.365 11.473 ( 3.942 -2.844 -2.271) 5.365 12.376 ( -14.035 7.171 7.070) 17.274 12.376 ( 14.035 7.171 7.070) 17.274 12.511 ( -19.749 -3.624 7.239) 21.344 12.511 ( 19.749 -3.624 7.239) 21.344 12.900 ( -3.275 8.814 -1.296) 9.492 12.900 ( 3.275 8.814 -1.296) 9.492 13.342 ( -7.889 -8.907 5.917) 13.289 13.342 ( 7.889 -8.907 5.917) 13.289 14.381 ( -1.742 2.119 8.369) 8.807 14.381 ( 1.742 2.119 8.369) 8.807 14.596 ( -2.087 4.178 8.223) 9.456 14.596 ( 2.087 4.178 8.223) 9.456 15.224 ( -4.336 9.006 -1.956) 10.185 15.224 ( 4.336 9.006 -1.956) 10.185 15.946 ( -7.535 -4.069 0.890) 8.610 15.946 ( 7.535 -4.069 0.890) 8.610 16.222 ( -6.031 -0.474 -8.739) 10.629 16.222 ( 6.031 -0.474 -8.739) 10.629 16.619 ( -12.846 5.449 -0.713) 13.972 16.619 ( 12.846 5.449 -0.713) 13.972 17.098 ( -7.050 3.595 -17.219) 18.950 17.098 ( 7.050 3.595 -17.219) 18.950 17.449 ( -6.319 -1.717 -8.584) 10.796 17.449 ( 6.319 -1.717 -8.584) 10.796 18.122 ( -5.547 -8.201 -0.136) 9.902 18.122 ( 5.547 -8.201 -0.136) 9.902 21.422 ( -8.524 -2.670 2.373) 9.242 21.422 ( 8.524 -2.670 2.373) 9.242 21.817 ( -2.426 -0.533 0.144) 2.488 21.817 ( 2.426 -0.533 0.144) 2.488 22.246 ( -9.400 3.299 6.609) 11.955 22.246 ( 9.400 3.299 6.609) 11.955 23.606 ( -8.428 -3.571 -13.278) 16.127 23.606 ( 8.428 -3.571 -13.278) 16.127 ======================= Grid point 351 (116/150) ======================= q-point: ( 0.00 0.38 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.532 ( 0.000 17.107 12.999) 21.486 4.099 ( 0.000 11.916 30.964) 33.178 4.468 ( 0.000 -29.390 1.255) 29.417 4.827 ( 0.000 -20.049 14.258) 24.602 6.211 ( 0.000 11.702 -12.997) 17.489 6.414 ( 0.000 3.959 -12.677) 13.281 6.465 ( 0.000 -4.058 4.487) 6.050 6.697 ( 0.000 -15.147 1.595) 15.231 7.160 ( 0.000 27.916 -3.509) 28.136 7.571 ( 0.000 17.943 12.042) 21.610 7.712 ( 0.000 18.785 -5.855) 19.676 8.114 ( 0.000 -1.662 2.128) 2.700 8.253 ( 0.000 -19.038 -3.884) 19.430 8.378 ( 0.000 -12.497 -3.421) 12.957 8.814 ( 0.000 17.463 -9.308) 19.789 9.072 ( 0.000 14.078 -4.448) 14.764 9.116 ( 0.000 19.128 0.015) 19.128 9.486 ( 0.000 -6.634 -21.937) 22.918 9.576 ( 0.000 -14.280 -1.191) 14.330 9.980 ( 0.000 -16.750 12.187) 20.715 10.325 ( 0.000 14.449 -4.242) 15.059 10.721 ( 0.000 5.422 -4.352) 6.953 10.935 ( 0.000 -6.036 15.159) 16.316 11.189 ( 0.000 -14.945 4.158) 15.513 11.213 ( 0.000 12.726 15.023) 19.689 11.592 ( 0.000 10.376 3.121) 10.836 11.734 ( 0.000 -13.071 18.116) 22.339 12.125 ( 0.000 -13.276 -0.685) 13.294 12.685 ( 0.000 5.397 -8.516) 10.082 12.936 ( 0.000 -11.487 3.629) 12.046 12.950 ( 0.000 -7.399 -9.933) 12.386 13.172 ( 0.000 -18.338 0.900) 18.360 13.776 ( 0.000 8.860 11.335) 14.387 13.953 ( 0.000 7.802 1.122) 7.882 14.037 ( 0.000 -4.656 3.192) 5.645 14.094 ( 0.000 5.939 7.974) 9.943 14.231 ( 0.000 -4.786 4.693) 6.703 14.365 ( 0.000 -6.366 12.391) 13.930 15.122 ( 0.000 15.498 1.483) 15.569 15.446 ( 0.000 20.544 -6.810) 21.643 15.487 ( 0.000 3.391 2.817) 4.408 16.026 ( 0.000 1.666 -19.444) 19.515 16.032 ( 0.000 -6.936 -9.898) 12.086 16.407 ( 0.000 -9.680 -9.783) 13.763 16.535 ( 0.000 14.451 3.006) 14.761 16.800 ( 0.000 8.507 -3.736) 9.291 17.214 ( 0.000 0.660 8.505) 8.530 17.498 ( 0.000 -4.640 -6.202) 7.746 17.854 ( 0.000 3.177 -8.136) 8.735 17.959 ( 0.000 15.901 -1.941) 16.019 18.192 ( 0.000 -13.899 -6.508) 15.347 18.676 ( 0.000 -17.845 -2.834) 18.069 20.845 ( 0.000 10.310 -0.092) 10.310 21.101 ( 0.000 -2.021 -6.779) 7.073 21.827 ( 0.000 7.129 6.079) 9.369 22.258 ( 0.000 4.412 -2.714) 5.180 22.315 ( 0.000 -14.030 12.729) 18.944 22.466 ( 0.000 -5.645 -1.652) 5.881 22.915 ( 0.000 11.513 -6.682) 13.312 23.506 ( 0.000 -16.412 -13.655) 21.350 ======================= Grid point 352 (117/150) ======================= q-point: ( 0.12 0.38 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.867 ( 30.750 16.672 13.031) 37.328 4.114 ( 4.942 11.797 27.351) 30.194 4.704 ( 16.259 -22.444 10.950) 29.799 4.961 ( 16.253 -22.525 8.204) 28.963 6.187 ( -2.413 10.962 -10.310) 15.241 6.369 ( -3.474 0.676 -9.478) 10.117 6.479 ( 0.487 0.337 0.681) 0.903 6.682 ( -1.991 -12.148 0.096) 12.311 7.078 ( -6.588 26.938 -1.025) 27.751 7.493 ( -5.180 18.521 5.560) 20.020 7.783 ( 3.319 9.262 -1.629) 9.973 8.084 ( -1.945 -1.261 1.747) 2.903 8.252 ( 1.843 -13.723 -4.153) 14.455 8.481 ( 7.859 -11.176 -1.808) 13.781 8.859 ( 1.660 13.803 -14.646) 20.194 8.977 ( -4.204 15.531 0.895) 16.115 9.123 ( -2.960 6.536 -5.502) 9.042 9.436 ( -5.336 -6.409 -14.175) 16.446 9.627 ( 5.386 -8.239 -6.456) 11.772 9.900 ( -6.173 -12.884 10.298) 17.611 10.349 ( 1.290 11.138 -1.346) 11.293 10.780 ( 4.738 5.447 -2.505) 7.642 10.921 ( -1.205 -4.844 14.238) 15.088 11.071 ( -5.750 -5.782 5.148) 9.644 11.306 ( 4.937 2.393 11.395) 12.647 11.585 ( -0.002 9.466 3.704) 10.165 11.747 ( -0.226 -14.387 15.378) 21.059 12.031 ( -7.205 -7.310 0.541) 10.278 12.692 ( -1.447 2.994 -5.425) 6.363 12.788 ( -3.551 -9.110 -2.296) 10.044 13.159 ( 7.589 -9.896 -2.645) 12.748 13.171 ( 3.103 -10.088 -0.157) 10.556 13.690 ( -8.131 6.103 9.547) 13.946 13.922 ( -10.632 -4.170 5.365) 12.618 14.009 ( 4.714 6.823 4.758) 9.561 14.124 ( 2.858 3.411 10.042) 10.984 14.341 ( 9.982 -3.297 1.041) 10.564 14.417 ( 4.950 -5.083 10.496) 12.669 15.132 ( 1.187 14.592 1.730) 14.742 15.297 ( -5.290 14.314 -0.238) 15.262 15.714 ( 12.696 6.526 -5.270) 15.217 15.974 ( -2.031 0.449 -13.402) 13.563 16.067 ( 0.403 -3.440 -15.153) 15.543 16.397 ( -1.913 -6.105 -8.791) 10.872 16.525 ( -0.507 11.709 4.474) 12.545 16.812 ( 1.894 5.919 -4.496) 7.670 17.178 ( -3.432 0.231 7.527) 8.275 17.459 ( -3.804 -4.364 -6.772) 8.909 17.800 ( -6.057 3.225 -6.914) 9.741 17.853 ( -8.927 11.733 -5.252) 15.650 18.160 ( -3.333 -9.588 -5.851) 11.717 18.582 ( -8.762 -16.496 -3.009) 18.919 20.938 ( 8.580 9.468 0.187) 12.779 21.182 ( 7.778 -1.659 -5.792) 9.838 21.764 ( -4.881 3.979 4.785) 7.909 22.008 ( -14.056 -4.908 4.114) 15.446 22.431 ( 2.294 0.645 4.101) 4.743 22.582 ( 6.976 -8.263 6.283) 12.507 22.964 ( 5.892 10.925 -10.391) 16.188 23.508 ( 0.587 -15.275 -15.338) 21.655 ======================= Grid point 353 (118/150) ======================= q-point: ( 0.25 0.38 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.321 ( 16.483 18.348 23.895) 34.341 4.595 ( 34.941 14.799 14.772) 40.719 5.006 ( 18.306 -13.887 20.980) 31.114 5.445 ( 25.108 -18.592 0.627) 31.248 6.120 ( -4.023 6.820 -1.865) 8.135 6.292 ( -3.688 -3.919 -3.952) 6.677 6.477 ( -0.247 4.928 -4.484) 6.667 6.605 ( -4.774 -3.470 -9.549) 11.226 6.960 ( -4.229 19.987 5.212) 21.083 7.425 ( -1.412 13.375 2.986) 13.777 7.771 ( -3.418 -3.129 0.507) 4.661 8.075 ( 0.758 -3.485 -0.437) 3.593 8.346 ( 6.691 -1.323 -5.117) 8.526 8.590 ( -0.093 -4.208 -0.473) 4.236 8.808 ( -1.916 4.985 -9.202) 10.640 8.951 ( -3.478 4.676 -8.808) 10.562 9.012 ( -6.468 -6.283 -13.669) 16.376 9.291 ( -8.762 -5.012 -9.198) 13.656 9.738 ( 3.779 -6.814 -0.910) 7.844 9.814 ( -0.285 -7.562 5.691) 9.469 10.356 ( -0.331 9.403 2.324) 9.692 10.851 ( -3.234 -4.448 6.939) 8.854 10.868 ( 2.281 5.933 3.077) 7.062 11.058 ( 2.195 0.681 5.121) 5.613 11.368 ( -1.191 -2.260 6.674) 7.147 11.599 ( 0.929 8.229 2.138) 8.553 11.701 ( 0.651 -10.595 5.105) 11.779 11.977 ( 3.494 -3.313 10.487) 11.539 12.653 ( -0.739 1.337 1.284) 1.995 12.775 ( 0.695 -7.334 -1.257) 7.473 13.190 ( 0.420 -0.352 2.921) 2.972 13.272 ( -1.027 -4.367 2.179) 4.988 13.479 ( -11.807 2.357 2.577) 12.313 13.639 ( -16.632 -4.218 6.156) 18.230 14.136 ( 8.356 4.459 8.621) 12.807 14.220 ( 6.453 1.565 9.637) 11.703 14.504 ( 5.894 -0.668 5.524) 8.105 14.576 ( 8.342 -4.290 5.618) 10.934 15.179 ( 4.174 14.183 -2.263) 14.956 15.280 ( 3.932 12.403 2.346) 13.221 15.867 ( 0.293 -3.284 -12.122) 12.562 16.024 ( 6.289 9.063 -8.004) 13.629 16.040 ( -0.898 -6.570 -13.615) 15.144 16.313 ( -6.082 -3.479 -7.525) 10.282 16.522 ( 0.755 10.859 6.169) 12.512 16.897 ( 5.919 2.456 -4.731) 7.966 17.093 ( -4.502 -2.487 5.024) 7.190 17.353 ( -6.639 -2.291 -8.183) 10.784 17.589 ( -12.135 7.413 -7.096) 15.892 17.695 ( -7.732 2.379 -8.438) 11.689 18.068 ( -5.350 -5.430 -6.197) 9.824 18.363 ( -12.280 -13.266 -3.768) 18.466 21.135 ( 9.721 7.705 1.400) 12.483 21.386 ( 11.715 -1.824 -3.523) 12.369 21.688 ( -2.151 -0.442 3.227) 3.904 21.753 ( -10.183 -4.173 4.481) 11.882 22.411 ( -3.850 4.600 4.949) 7.777 22.609 ( -4.171 -6.042 10.344) 12.685 23.161 ( 12.444 6.491 -14.093) 19.889 23.541 ( 2.516 -11.708 -17.333) 21.068 ======================= Grid point 354 (119/150) ======================= q-point: ( 0.38 0.38 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.726 ( 23.122 19.619 20.664) 36.696 5.067 ( 15.104 9.301 17.342) 24.807 5.450 ( 15.161 11.312 25.232) 31.536 5.653 ( -6.546 10.982 0.996) 12.824 6.066 ( 2.723 -8.756 5.164) 10.524 6.281 ( 0.627 -13.057 1.090) 13.118 6.492 ( 2.393 5.226 -12.013) 13.318 6.626 ( 7.462 -4.440 -15.696) 17.938 6.936 ( 3.920 6.274 11.513) 13.685 7.394 ( -4.230 1.465 5.222) 6.878 7.735 ( 2.644 0.853 -2.630) 3.825 8.080 ( -1.949 -3.485 -3.145) 5.083 8.440 ( -1.205 1.876 -3.072) 3.796 8.516 ( -0.098 -0.164 -4.783) 4.787 8.771 ( -8.946 -6.507 -18.974) 21.963 8.793 ( -6.571 0.722 -5.635) 8.686 8.937 ( 0.205 -14.798 -15.417) 21.371 9.110 ( -8.407 -7.013 -7.698) 13.383 9.795 ( 3.893 -5.515 6.113) 9.107 9.874 ( 3.311 -7.751 2.669) 8.841 10.361 ( 2.112 10.533 4.384) 11.603 10.749 ( -9.132 -4.699 9.014) 13.665 10.893 ( -0.298 7.662 0.920) 7.723 11.011 ( -5.415 2.639 2.297) 6.447 11.373 ( 5.536 3.431 -2.471) 6.966 11.566 ( -2.719 1.994 1.813) 3.828 11.948 ( 20.098 -4.040 5.870) 21.323 12.146 ( 12.977 -3.718 12.271) 18.243 12.644 ( -2.853 2.579 7.741) 8.644 12.742 ( -7.583 -5.760 3.625) 10.190 13.135 ( -6.717 2.221 5.979) 9.263 13.156 ( -5.037 3.753 3.205) 7.052 13.240 ( -10.992 2.847 2.038) 11.536 13.371 ( -8.487 -5.141 3.217) 10.431 14.317 ( 8.633 2.548 7.032) 11.422 14.359 ( 6.609 0.903 9.096) 11.280 14.590 ( 2.445 0.940 8.094) 8.507 14.654 ( -0.113 -1.917 8.325) 8.544 15.316 ( 8.696 13.316 -7.487) 17.578 15.410 ( 6.853 11.617 -0.829) 13.513 15.843 ( -1.221 -3.999 -6.368) 7.618 15.950 ( -5.082 -2.718 -5.377) 7.882 16.156 ( 2.479 -3.387 -12.344) 13.038 16.189 ( -5.003 -5.308 -8.290) 11.042 16.595 ( 6.860 12.282 5.154) 14.983 16.925 ( -5.381 8.157 -0.690) 9.797 17.075 ( 3.040 -9.171 -0.191) 9.664 17.219 ( -5.554 0.472 -10.360) 11.764 17.410 ( -4.461 4.887 -9.394) 11.490 17.543 ( -6.993 0.243 -8.350) 10.895 17.974 ( -3.225 -4.591 -7.366) 9.259 18.127 ( -10.582 -9.437 -5.455) 15.192 21.284 ( 5.115 3.417 3.741) 7.200 21.489 ( -5.494 -5.788 3.040) 8.539 21.687 ( 8.681 1.509 1.409) 8.924 21.750 ( 5.678 -1.159 -0.391) 5.808 22.308 ( -5.252 4.508 5.668) 8.946 22.458 ( -9.768 -2.907 9.016) 13.607 23.397 ( 10.241 1.996 -14.841) 18.141 23.582 ( 0.758 -6.889 -16.898) 18.264 ======================= Grid point 355 (120/150) ======================= q-point: (-0.50 0.38 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.158 ( -14.429 14.986 18.107) 27.580 5.158 ( 14.429 14.986 18.107) 27.580 5.478 ( -2.922 20.004 14.963) 25.151 5.478 ( 2.922 20.004 14.963) 25.151 6.227 ( -6.475 -10.816 0.727) 12.627 6.227 ( 6.475 -10.816 0.727) 12.627 6.611 ( -7.742 0.590 -8.155) 11.260 6.611 ( 7.742 0.590 -8.155) 11.260 7.188 ( -15.554 -7.749 8.625) 19.400 7.188 ( 15.554 -7.749 8.625) 19.400 7.918 ( -12.827 3.488 -6.051) 14.605 7.918 ( 12.827 3.488 -6.051) 14.605 8.466 ( -6.398 -5.327 -4.819) 9.619 8.466 ( 6.398 -5.327 -4.819) 9.619 8.686 ( -3.916 -1.362 -15.849) 16.382 8.686 ( 3.916 -1.362 -15.849) 16.382 8.985 ( -4.117 -11.865 -9.043) 15.476 8.985 ( 4.117 -11.865 -9.043) 15.476 9.878 ( -3.095 -6.502 4.955) 8.741 9.878 ( 3.095 -6.502 4.955) 8.741 10.500 ( -11.940 6.447 7.802) 15.652 10.500 ( 11.940 6.447 7.802) 15.652 10.924 ( -3.385 1.756 -1.872) 4.248 10.924 ( 3.385 1.756 -1.872) 4.248 11.496 ( -4.976 4.198 0.902) 6.572 11.496 ( 4.976 4.198 0.902) 6.572 12.381 ( -20.266 -4.636 6.488) 21.779 12.381 ( 20.266 -4.636 6.488) 21.779 12.471 ( -16.650 -1.134 10.861) 19.911 12.471 ( 16.650 -1.134 10.861) 19.911 13.068 ( -1.336 7.529 1.246) 7.747 13.068 ( 1.336 7.529 1.246) 7.747 13.228 ( -5.702 -2.712 5.377) 8.294 13.228 ( 5.702 -2.712 5.377) 8.294 14.429 ( -1.171 2.435 6.411) 6.958 14.429 ( 1.171 2.435 6.411) 6.958 14.621 ( -1.806 -0.761 10.412) 10.594 14.621 ( 1.806 -0.761 10.412) 10.594 15.457 ( -3.384 13.545 -8.587) 16.390 15.457 ( 3.384 13.545 -8.587) 16.390 15.857 ( -3.286 -5.258 0.983) 6.278 15.857 ( 3.286 -5.258 0.983) 6.278 16.153 ( -1.152 -5.592 -11.464) 12.807 16.153 ( 1.152 -5.592 -11.464) 12.807 16.766 ( -9.259 9.330 1.314) 13.210 16.766 ( 9.259 9.330 1.314) 13.210 17.132 ( -3.580 -2.939 -6.464) 7.951 17.132 ( 3.580 -2.939 -6.464) 7.951 17.427 ( -4.555 1.404 -8.877) 10.076 17.427 ( 4.555 1.404 -8.877) 10.076 17.975 ( -3.966 -6.282 -7.323) 10.431 17.975 ( 3.966 -6.282 -7.323) 10.431 21.374 ( -4.890 -1.942 4.624) 7.005 21.374 ( 4.890 -1.942 4.624) 7.005 21.821 ( -1.926 0.632 -0.595) 2.112 21.821 ( 1.926 0.632 -0.595) 2.112 22.286 ( -4.993 0.958 7.328) 8.919 22.286 ( 4.993 0.958 7.328) 8.919 23.547 ( -4.584 -2.256 -15.740) 16.548 23.547 ( 4.584 -2.256 -15.740) 16.548 ======================= Grid point 360 (121/150) ======================= q-point: ( 0.00 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.939 ( 0.000 -24.308 6.343) 25.122 3.939 ( 0.000 24.308 6.343) 25.122 4.421 ( 0.000 -19.994 21.943) 29.686 4.421 ( 0.000 19.994 21.943) 29.686 6.391 ( 0.000 -5.977 -14.075) 15.291 6.391 ( 0.000 5.977 -14.075) 15.291 6.480 ( 0.000 -6.109 4.353) 7.501 6.480 ( 0.000 6.109 4.353) 7.501 7.666 ( 0.000 -18.801 -1.773) 18.884 7.666 ( 0.000 18.801 -1.773) 18.884 8.017 ( 0.000 -4.459 6.588) 7.955 8.017 ( 0.000 4.459 6.588) 7.955 8.071 ( 0.000 -17.625 -5.986) 18.613 8.071 ( 0.000 17.625 -5.986) 18.613 9.170 ( 0.000 -16.872 -10.176) 19.703 9.170 ( 0.000 16.872 -10.176) 19.703 9.310 ( 0.000 -10.585 -14.192) 17.705 9.310 ( 0.000 10.585 -14.192) 17.705 9.607 ( 0.000 -19.721 11.612) 22.885 9.607 ( 0.000 19.721 11.612) 22.885 10.669 ( 0.000 -17.312 0.009) 17.312 10.669 ( 0.000 17.312 0.009) 17.312 10.906 ( 0.000 -10.900 7.801) 13.403 10.906 ( 0.000 10.900 7.801) 13.403 11.472 ( 0.000 -13.566 16.955) 21.714 11.472 ( 0.000 13.566 16.955) 21.714 11.856 ( 0.000 -14.822 1.721) 14.921 11.856 ( 0.000 14.822 1.721) 14.921 12.808 ( 0.000 -6.928 -9.989) 12.157 12.808 ( 0.000 6.928 -9.989) 12.157 12.895 ( 0.000 -7.641 0.104) 7.641 12.895 ( 0.000 7.641 0.104) 7.641 13.926 ( 0.000 -6.625 7.836) 10.261 13.926 ( 0.000 6.625 7.836) 10.261 14.106 ( 0.000 -7.510 2.950) 8.069 14.106 ( 0.000 7.510 2.950) 8.069 14.228 ( 0.000 -7.329 10.705) 12.973 14.228 ( 0.000 7.329 10.705) 12.973 15.394 ( 0.000 -11.152 -0.639) 11.171 15.394 ( 0.000 11.152 -0.639) 11.171 15.807 ( 0.000 -15.584 -8.879) 17.936 15.807 ( 0.000 15.584 -8.879) 17.936 16.183 ( 0.000 -11.956 -11.284) 16.440 16.183 ( 0.000 11.956 -11.284) 16.440 16.781 ( 0.000 -9.327 -1.537) 9.453 16.781 ( 0.000 9.327 -1.537) 9.453 17.338 ( 0.000 -10.364 4.262) 11.206 17.338 ( 0.000 10.364 4.262) 11.206 17.971 ( 0.000 -8.638 -8.396) 12.047 17.971 ( 0.000 8.638 -8.396) 12.047 18.309 ( 0.000 -19.086 -3.194) 19.352 18.309 ( 0.000 19.086 -3.194) 19.352 21.019 ( 0.000 -6.728 -4.677) 8.194 21.019 ( 0.000 6.728 -4.677) 8.194 22.025 ( 0.000 -13.375 11.470) 17.619 22.025 ( 0.000 13.375 11.470) 17.619 22.356 ( 0.000 -5.453 -2.181) 5.873 22.356 ( 0.000 5.453 -2.181) 5.873 23.192 ( 0.000 -15.576 -11.695) 19.478 23.192 ( 0.000 15.576 -11.695) 19.478 ======================= Grid point 362 (122/150) ======================= q-point: ( 0.12 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.213 ( 24.845 -16.087 9.862) 31.198 4.213 ( 24.845 16.087 9.862) 31.198 4.524 ( 11.113 -17.896 18.544) 28.065 4.524 ( 11.113 17.896 18.544) 28.065 6.343 ( -4.012 -3.846 -9.184) 10.734 6.343 ( -4.012 3.846 -9.184) 10.734 6.510 ( 1.830 -3.885 -0.098) 4.296 6.510 ( 1.830 3.885 -0.098) 4.296 7.573 ( -8.119 -19.447 0.686) 21.085 7.573 ( -8.119 19.447 0.686) 21.085 7.931 ( -3.904 -12.613 2.852) 13.508 7.931 ( -3.904 12.613 2.852) 13.508 8.230 ( 10.199 -11.295 -4.193) 15.786 8.230 ( 10.199 11.295 -4.193) 15.786 9.105 ( -7.038 -9.313 -17.733) 21.230 9.105 ( -7.038 9.313 -17.733) 21.230 9.262 ( -4.294 -11.713 -5.239) 13.531 9.262 ( -4.294 11.713 -5.239) 13.531 9.639 ( 2.774 -10.503 8.845) 14.009 9.639 ( 2.774 10.503 8.845) 14.009 10.652 ( -2.261 -17.680 2.486) 17.997 10.652 ( -2.261 17.680 2.486) 17.997 10.924 ( 3.019 -7.657 5.041) 9.652 10.924 ( 3.019 7.657 5.041) 9.652 11.476 ( 0.068 -11.947 15.185) 19.322 11.476 ( 0.068 11.947 15.185) 19.322 11.829 ( -2.142 -13.062 2.180) 13.415 11.829 ( -2.142 13.062 2.180) 13.415 12.720 ( -3.882 -2.088 -3.881) 5.873 12.720 ( -3.882 2.088 -3.881) 5.873 13.048 ( 9.624 -1.361 -3.670) 10.389 13.048 ( 9.624 1.361 -3.670) 10.389 13.816 ( -10.199 -6.287 8.831) 14.884 13.816 ( -10.199 6.287 8.831) 14.884 14.132 ( 2.653 -4.182 7.398) 8.903 14.132 ( 2.653 4.182 7.398) 8.903 14.325 ( 8.453 -2.993 5.439) 10.488 14.325 ( 8.453 2.993 5.439) 10.488 15.371 ( -1.327 -7.516 0.738) 7.668 15.371 ( -1.327 7.516 0.738) 7.668 15.847 ( 2.834 -10.010 -11.942) 15.838 15.847 ( 2.834 10.010 -11.942) 15.838 16.199 ( 1.323 -11.982 -9.321) 15.239 16.199 ( 1.323 11.982 -9.321) 15.239 16.759 ( -1.650 -9.889 -0.759) 10.055 16.759 ( -1.650 9.889 -0.759) 10.055 17.302 ( -3.468 -10.295 3.215) 11.329 17.302 ( -3.468 10.295 3.215) 11.329 17.895 ( -7.282 -6.045 -8.261) 12.562 17.895 ( -7.282 6.045 -8.261) 12.562 18.250 ( -5.446 -16.204 -4.338) 17.637 18.250 ( -5.446 16.204 -4.338) 17.637 21.104 ( 7.997 -6.561 -3.904) 11.056 21.104 ( 7.997 6.561 -3.904) 11.056 21.875 ( -10.696 -7.279 7.586) 14.998 21.875 ( -10.696 7.279 7.586) 14.998 22.465 ( 6.067 -3.665 3.781) 8.033 22.465 ( 6.067 3.665 3.781) 8.033 23.217 ( 3.089 -14.292 -14.043) 20.273 23.217 ( 3.089 14.292 -14.043) 20.273 ======================= Grid point 364 (123/150) ======================= q-point: ( 0.25 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.681 ( 18.880 -17.735 22.958) 34.613 4.681 ( 18.880 17.735 22.958) 34.613 4.988 ( 35.067 -24.149 6.070) 43.008 4.988 ( 35.067 24.149 6.070) 43.008 6.234 ( -7.405 -3.907 -1.779) 8.559 6.234 ( -7.405 3.907 -1.779) 8.559 6.534 ( 0.735 -2.033 -6.941) 7.270 6.534 ( 0.735 2.033 -6.941) 7.270 7.388 ( -9.729 -19.196 6.880) 22.594 7.388 ( -9.729 19.196 6.880) 22.594 7.886 ( -0.201 -14.559 -0.900) 14.589 7.886 ( -0.201 14.559 -0.900) 14.589 8.420 ( 7.775 -8.692 -4.610) 12.540 8.420 ( 7.775 8.692 -4.610) 12.540 8.909 ( -11.515 -3.909 -21.105) 24.358 8.909 ( -11.515 3.909 -21.105) 24.358 9.136 ( -8.568 -11.063 -4.833) 14.804 9.136 ( -8.568 11.063 -4.833) 14.804 9.696 ( 2.903 -3.192 8.393) 9.437 9.696 ( 2.903 3.192 8.393) 9.437 10.602 ( -1.921 -14.633 3.179) 15.097 10.602 ( -1.921 14.633 3.179) 15.097 11.020 ( 4.545 -5.244 4.351) 8.191 11.020 ( 4.545 5.244 4.351) 8.191 11.464 ( -0.747 -10.212 6.733) 12.255 11.464 ( -0.747 10.212 6.733) 12.255 11.819 ( 2.961 -11.943 6.163) 13.761 11.819 ( 2.961 11.943 6.163) 13.761 12.691 ( 0.710 -3.598 1.331) 3.901 12.691 ( 0.710 3.598 1.331) 3.901 13.198 ( 4.178 -2.621 -0.980) 5.028 13.198 ( 4.178 2.621 -0.980) 5.028 13.552 ( -15.368 -4.580 7.279) 17.610 13.552 ( -15.368 4.580 7.279) 17.610 14.216 ( 5.951 -2.544 9.866) 11.799 14.216 ( 5.951 2.544 9.866) 11.799 14.509 ( 8.448 -1.791 3.811) 9.439 14.509 ( 8.448 1.791 3.811) 9.439 15.385 ( 3.594 -4.605 0.946) 5.918 15.385 ( 3.594 4.605 0.946) 5.918 15.877 ( -0.243 -6.862 -13.767) 15.384 15.877 ( -0.243 6.862 -13.767) 15.384 16.202 ( -1.976 -7.888 -8.234) 11.573 16.202 ( -1.976 7.888 -8.234) 11.573 16.757 ( 2.336 -12.130 1.768) 12.478 16.757 ( 2.336 12.130 1.768) 12.478 17.213 ( -5.090 -10.009 0.497) 11.240 17.213 ( -5.090 10.009 0.497) 11.240 17.707 ( -10.579 -3.793 -8.289) 13.965 17.707 ( -10.579 3.793 -8.289) 13.965 18.116 ( -7.491 -10.270 -6.940) 14.483 18.116 ( -7.491 10.270 -6.940) 14.483 21.294 ( 9.164 -7.420 -1.380) 11.872 21.294 ( 9.164 7.420 -1.380) 11.872 21.694 ( -5.736 -1.519 5.104) 7.826 21.694 ( -5.736 1.519 5.104) 7.826 22.501 ( -2.720 -4.925 7.517) 9.389 22.501 ( -2.720 4.925 7.517) 9.389 23.326 ( 7.282 -10.027 -16.816) 20.889 23.326 ( 7.282 10.027 -16.816) 20.889 ======================= Grid point 366 (124/150) ======================= q-point: ( 0.38 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.058 ( 18.875 -11.486 20.824) 30.361 5.058 ( 18.875 11.486 20.824) 30.361 5.658 ( 26.898 -10.197 8.792) 30.080 5.658 ( 26.898 10.197 8.792) 30.080 6.029 ( -12.741 -6.258 7.401) 16.009 6.029 ( -12.741 6.258 7.401) 16.009 6.573 ( 4.386 -2.745 -15.416) 16.262 6.573 ( 4.386 2.745 -15.416) 16.262 7.199 ( -9.172 -16.478 14.382) 23.717 7.199 ( -9.172 16.478 14.382) 23.717 7.934 ( 5.052 -12.878 -6.962) 15.487 7.934 ( 5.052 12.878 -6.962) 15.487 8.471 ( -5.395 -2.723 -4.808) 7.722 8.471 ( -5.395 2.723 -4.808) 7.722 8.719 ( -4.140 -5.074 -22.051) 23.003 8.719 ( -4.140 5.074 -22.051) 23.003 8.949 ( -8.757 -9.780 -6.961) 14.859 8.949 ( -8.757 9.780 -6.961) 14.859 9.763 ( 3.626 -2.527 9.440) 10.423 9.763 ( 3.626 2.527 9.440) 10.423 10.576 ( -0.933 -10.838 3.479) 11.421 10.576 ( -0.933 10.838 3.479) 11.421 11.008 ( -5.106 -3.131 0.656) 6.026 11.008 ( -5.106 3.131 0.656) 6.026 11.506 ( 4.335 -7.713 2.202) 9.118 11.506 ( 4.335 7.713 2.202) 9.118 11.997 ( 15.101 -8.736 9.313) 19.775 11.997 ( 15.101 8.736 9.313) 19.775 12.679 ( -5.446 -2.583 7.536) 9.650 12.679 ( -5.446 2.583 7.536) 9.650 13.184 ( -4.890 -1.316 4.913) 7.055 13.184 ( -4.890 1.316 4.913) 7.055 13.290 ( -7.765 -3.185 1.845) 8.593 13.290 ( -7.765 3.185 1.845) 8.593 14.359 ( 7.560 -1.210 7.767) 10.907 14.359 ( 7.560 1.210 7.767) 10.907 14.612 ( 1.521 -1.760 7.519) 7.870 14.612 ( 1.521 1.760 7.519) 7.870 15.520 ( 9.197 -5.227 -2.592) 10.891 15.520 ( 9.197 5.227 -2.592) 10.891 15.832 ( -4.210 -7.438 -9.368) 12.681 15.832 ( -4.210 7.438 -9.368) 12.681 16.130 ( -4.173 -2.429 -9.866) 10.984 16.130 ( -4.173 2.429 -9.866) 10.984 16.844 ( 5.544 -12.954 3.666) 14.560 16.844 ( 5.544 12.954 3.666) 14.560 17.106 ( -5.659 -9.431 -1.700) 11.129 17.106 ( -5.659 9.431 -1.700) 11.129 17.526 ( -6.349 -4.264 -9.294) 12.036 17.526 ( -6.349 4.264 -9.294) 12.036 17.973 ( -6.157 -5.024 -9.666) 12.513 17.973 ( -6.157 5.024 -9.666) 12.513 21.374 ( -0.865 -5.621 4.212) 7.077 21.374 ( -0.865 5.621 4.212) 7.077 21.721 ( 7.384 -1.741 0.335) 7.594 21.721 ( 7.384 1.741 0.335) 7.594 22.390 ( -7.149 -3.894 7.638) 11.163 22.390 ( -7.149 3.894 7.638) 11.163 23.465 ( 5.638 -4.870 -16.948) 18.513 23.465 ( 5.638 4.870 -16.948) 18.513 ======================= Grid point 368 (125/150) ======================= q-point: (-0.50 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.315 ( 0.000 -0.000 19.458) 19.458 5.315 ( -0.000 0.000 19.458) 19.458 5.814 ( 0.000 -0.000 9.772) 9.772 5.814 ( -0.000 0.000 9.772) 9.772 5.952 ( 0.000 -0.000 8.855) 8.855 5.952 ( 0.000 0.000 8.855) 8.855 6.669 ( -0.000 -0.000 -17.361) 17.361 6.669 ( -0.000 0.000 -17.361) 17.361 7.069 ( 0.000 0.000 20.214) 20.214 7.069 ( 0.000 0.000 20.214) 20.214 8.031 ( 0.000 -0.000 -12.204) 12.204 8.031 ( 0.000 0.000 -12.204) 12.204 8.331 ( 0.000 0.000 -9.240) 9.240 8.331 ( -0.000 0.000 -9.240) 9.240 8.715 ( -0.000 0.000 -18.502) 18.502 8.715 ( 0.000 0.000 -18.502) 18.502 8.845 ( 0.000 -0.000 -5.862) 5.862 8.845 ( 0.000 0.000 -5.862) 5.862 9.808 ( 0.000 0.000 10.088) 10.088 9.808 ( 0.000 0.000 10.088) 10.088 10.566 ( 0.000 0.000 4.979) 4.979 10.566 ( -0.000 0.000 4.979) 4.979 10.935 ( 0.000 0.000 -4.169) 4.169 10.935 ( 0.000 0.000 -4.169) 4.169 11.558 ( -0.000 -0.000 3.725) 3.725 11.558 ( -0.000 0.000 3.725) 3.725 12.314 ( -0.000 0.000 6.374) 6.374 12.314 ( 0.000 0.000 6.374) 6.374 12.456 ( -0.000 0.000 13.031) 13.031 12.456 ( 0.000 0.000 13.031) 13.031 13.154 ( -0.000 -0.000 3.196) 3.196 13.154 ( 0.000 0.000 3.196) 3.196 13.203 ( 0.000 -0.000 3.258) 3.258 13.203 ( 0.000 0.000 3.258) 3.258 14.457 ( 0.000 -0.000 4.843) 4.843 14.457 ( -0.000 0.000 4.843) 4.843 14.606 ( -0.000 -0.000 11.152) 11.152 14.606 ( 0.000 0.000 11.152) 11.152 15.674 ( 0.000 -0.000 -10.724) 10.724 15.674 ( 0.000 0.000 -10.724) 10.724 15.740 ( -0.000 -0.000 -0.244) 0.244 15.740 ( 0.000 0.000 -0.244) 0.244 16.079 ( -0.000 -0.000 -10.617) 10.617 16.079 ( 0.000 0.000 -10.617) 10.617 16.934 ( 0.000 -0.000 5.061) 5.061 16.934 ( 0.000 0.000 5.061) 5.061 17.013 ( -0.000 -0.000 -3.314) 3.314 17.013 ( -0.000 0.000 -3.314) 3.314 17.468 ( 0.000 0.000 -9.933) 9.933 17.468 ( 0.000 0.000 -9.933) 9.933 17.904 ( 0.000 -0.000 -11.115) 11.115 17.904 ( 0.000 0.000 -11.115) 11.115 21.354 ( 0.000 0.000 5.526) 5.526 21.354 ( 0.000 0.000 5.526) 5.526 21.830 ( -0.000 0.000 -1.055) 1.055 21.830 ( 0.000 0.000 -1.055) 1.055 22.293 ( 0.000 0.000 7.824) 7.824 22.293 ( 0.000 0.000 7.824) 7.824 23.524 ( 0.000 0.000 -16.761) 16.761 23.524 ( 0.000 0.000 -16.761) 16.761 ======================= Grid point 405 (126/150) ======================= q-point: ( 0.00 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.479 ( 0.000 0.000 10.363) 10.363 4.735 ( 0.000 0.000 24.677) 24.677 5.148 ( 0.000 0.000 -13.306) 13.306 5.705 ( 0.000 0.000 -4.397) 4.397 5.994 ( 0.000 0.000 9.848) 9.848 6.041 ( 0.000 0.000 6.162) 6.162 6.147 ( 0.000 0.000 4.037) 4.037 6.383 ( 0.000 0.000 -4.968) 4.968 6.787 ( 0.000 0.000 -3.525) 3.525 6.955 ( 0.000 0.000 -8.773) 8.773 6.987 ( 0.000 0.000 -21.163) 21.163 7.927 ( 0.000 0.000 16.883) 16.883 8.357 ( 0.000 0.000 12.119) 12.119 8.462 ( 0.000 0.000 9.629) 9.629 8.591 ( 0.000 0.000 -6.005) 6.005 8.685 ( 0.000 0.000 -7.558) 7.558 8.904 ( 0.000 0.000 -2.316) 2.316 9.127 ( 0.000 0.000 -11.564) 11.564 10.014 ( 0.000 0.000 1.837) 1.837 10.257 ( 0.000 0.000 -8.923) 8.923 10.375 ( 0.000 0.000 -5.072) 5.072 10.524 ( 0.000 0.000 2.948) 2.948 10.819 ( 0.000 0.000 2.408) 2.408 10.935 ( 0.000 0.000 6.140) 6.140 11.409 ( 0.000 0.000 2.202) 2.202 11.550 ( 0.000 0.000 -0.744) 0.744 12.188 ( 0.000 0.000 -2.507) 2.507 13.057 ( 0.000 0.000 6.823) 6.823 13.172 ( 0.000 0.000 -5.313) 5.313 13.201 ( 0.000 0.000 2.566) 2.566 13.226 ( 0.000 0.000 11.383) 11.383 13.626 ( 0.000 0.000 0.966) 0.966 13.741 ( 0.000 0.000 -12.084) 12.084 13.747 ( 0.000 0.000 1.670) 1.670 13.861 ( 0.000 0.000 7.142) 7.142 14.105 ( 0.000 0.000 -1.163) 1.163 14.395 ( 0.000 0.000 3.542) 3.542 14.684 ( 0.000 0.000 6.297) 6.297 14.838 ( 0.000 0.000 0.920) 0.920 14.852 ( 0.000 0.000 11.648) 11.648 15.175 ( 0.000 0.000 1.715) 1.715 15.892 ( 0.000 0.000 9.895) 9.895 15.894 ( 0.000 0.000 -12.619) 12.619 16.056 ( 0.000 0.000 -3.486) 3.486 16.128 ( 0.000 0.000 -11.620) 11.620 16.212 ( 0.000 0.000 -8.188) 8.188 17.049 ( 0.000 0.000 -0.493) 0.493 17.435 ( 0.000 0.000 -2.902) 2.902 17.630 ( 0.000 0.000 -5.445) 5.445 17.717 ( 0.000 0.000 3.863) 3.863 18.731 ( 0.000 0.000 -3.981) 3.981 19.231 ( 0.000 0.000 -1.184) 1.184 20.704 ( 0.000 0.000 10.500) 10.500 20.933 ( 0.000 0.000 -9.826) 9.826 21.580 ( 0.000 0.000 -1.051) 1.051 22.080 ( 0.000 0.000 -1.267) 1.267 22.170 ( 0.000 0.000 -0.987) 0.987 22.657 ( 0.000 0.000 -0.368) 0.368 23.466 ( 0.000 0.000 18.080) 18.080 23.867 ( 0.000 0.000 -16.844) 16.844 ======================= Grid point 406 (127/150) ======================= q-point: ( 0.12 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.826 ( 31.192 0.000 11.017) 33.080 4.692 ( -3.682 0.000 25.765) 26.027 5.103 ( -3.839 0.000 -14.060) 14.574 5.669 ( -14.598 0.000 1.916) 14.723 5.709 ( -13.035 0.000 3.326) 13.453 5.732 ( -3.659 0.000 -2.706) 4.551 6.551 ( -9.562 0.000 -6.678) 11.663 6.648 ( 20.190 0.000 5.713) 20.983 6.747 ( 5.925 0.000 -4.199) 7.262 6.914 ( 27.033 0.000 -2.611) 27.159 7.344 ( 17.950 0.000 -17.884) 25.338 7.878 ( -3.315 0.000 14.253) 14.633 8.401 ( 2.118 0.000 11.274) 11.471 8.468 ( 2.638 0.000 7.529) 7.978 8.634 ( 3.964 0.000 -4.593) 6.067 8.695 ( 1.295 0.000 -6.700) 6.824 9.009 ( 7.037 0.000 1.766) 7.255 9.178 ( 6.071 0.000 -13.113) 14.450 10.022 ( 0.799 0.000 0.275) 0.845 10.164 ( -8.169 0.000 0.112) 8.170 10.276 ( -1.552 0.000 -12.308) 12.406 10.739 ( -5.836 0.000 2.989) 6.557 10.778 ( 15.841 0.000 2.974) 16.118 11.044 ( 7.808 0.000 6.897) 10.418 11.275 ( -11.817 0.000 0.864) 11.849 11.520 ( -2.222 0.000 -0.610) 2.304 12.192 ( -0.304 0.000 -2.711) 2.728 12.828 ( -26.028 0.000 2.394) 26.138 13.061 ( -2.457 0.000 8.228) 8.587 13.093 ( -11.443 0.000 12.585) 17.009 13.261 ( 3.191 0.000 -4.744) 5.717 13.361 ( -14.821 0.000 -11.078) 18.504 13.702 ( -2.527 0.000 3.297) 4.154 13.943 ( -2.623 0.000 3.611) 4.463 14.010 ( 13.789 0.000 -1.334) 13.854 14.034 ( 1.700 0.000 -3.346) 3.753 14.436 ( 1.948 0.000 6.123) 6.425 14.783 ( 7.212 0.000 6.559) 9.748 14.801 ( -0.069 0.000 5.871) 5.871 14.916 ( 5.336 0.000 7.350) 9.083 15.326 ( 14.199 0.000 1.154) 14.246 15.799 ( -6.339 0.000 -12.186) 13.737 15.904 ( 1.472 0.000 9.169) 9.286 16.088 ( -1.415 0.000 -11.793) 11.877 16.161 ( 6.876 0.000 -3.963) 7.936 16.290 ( 5.269 0.000 -7.473) 9.144 17.040 ( -0.700 0.000 -1.248) 1.431 17.372 ( -6.116 0.000 -3.723) 7.160 17.596 ( -11.672 0.000 3.151) 12.090 17.600 ( -2.954 0.000 -5.501) 6.244 18.651 ( -7.276 0.000 -2.593) 7.724 19.130 ( -9.494 0.000 -0.483) 9.507 20.804 ( 8.940 0.000 7.382) 11.594 21.029 ( 9.724 0.000 -7.107) 12.044 21.599 ( 1.893 0.000 -1.064) 2.171 22.041 ( -3.908 0.000 -0.834) 3.996 22.143 ( -2.673 0.000 -1.005) 2.856 22.761 ( 9.837 0.000 -0.768) 9.867 23.387 ( -8.268 0.000 15.749) 17.788 23.835 ( -2.627 0.000 -14.699) 14.932 ======================= Grid point 407 (128/150) ======================= q-point: ( 0.25 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.499 ( 30.076 0.000 14.646) 33.452 4.630 ( -1.589 0.000 25.592) 25.641 5.015 ( -4.928 0.000 -10.167) 11.298 5.357 ( -12.759 0.000 2.855) 13.075 5.512 ( -6.841 0.000 -1.489) 7.001 5.837 ( 12.487 0.000 -4.426) 13.248 6.174 ( -19.153 0.000 -14.270) 23.884 6.764 ( -0.850 0.000 -8.397) 8.440 7.248 ( 28.805 0.000 19.650) 34.869 7.554 ( 31.957 0.000 -1.513) 31.993 7.698 ( 18.103 0.000 -19.487) 26.598 7.863 ( 3.196 0.000 11.310) 11.753 8.372 ( -3.175 0.000 6.409) 7.153 8.614 ( 8.911 0.000 4.515) 9.990 8.705 ( 3.191 0.000 0.201) 3.197 8.777 ( 7.300 0.000 -6.842) 10.005 9.099 ( 2.872 0.000 -0.334) 2.892 9.324 ( 4.982 0.000 -8.515) 9.865 10.025 ( -1.759 0.000 -2.135) 2.766 10.070 ( 0.251 0.000 -3.623) 3.632 10.288 ( 3.027 0.000 -6.530) 7.198 10.598 ( -8.481 0.000 4.054) 9.400 10.921 ( -17.786 0.000 4.659) 18.386 11.032 ( 6.345 0.000 4.499) 7.778 11.289 ( 11.969 0.000 1.618) 12.078 11.517 ( 3.583 0.000 0.313) 3.596 12.148 ( -4.433 0.000 -2.916) 5.306 12.256 ( -26.643 0.000 2.582) 26.768 12.855 ( -11.127 0.000 9.706) 14.765 12.953 ( -8.470 0.000 6.991) 10.983 13.061 ( -15.085 0.000 -10.622) 18.449 13.348 ( 5.514 0.000 -2.653) 6.119 13.575 ( -15.945 0.000 6.959) 17.397 13.756 ( -5.624 0.000 -6.909) 8.909 14.216 ( 10.558 0.000 0.802) 10.588 14.230 ( 8.808 0.000 1.494) 8.933 14.455 ( 0.649 0.000 7.179) 7.208 14.731 ( -4.046 0.000 5.722) 7.008 14.977 ( 7.638 0.000 3.292) 8.317 15.125 ( 15.333 0.000 14.172) 20.880 15.659 ( 16.541 0.000 0.506) 16.548 15.686 ( -4.288 0.000 -15.550) 16.130 15.972 ( 6.325 0.000 7.363) 9.707 16.107 ( 3.389 0.000 -10.935) 11.448 16.257 ( 1.657 0.000 -2.007) 2.603 16.384 ( 3.889 0.000 -6.857) 7.883 17.040 ( 1.356 0.000 -3.434) 3.692 17.200 ( -11.125 0.000 -4.888) 12.152 17.286 ( -18.112 0.000 0.821) 18.130 17.515 ( -5.438 0.000 -5.661) 7.850 18.487 ( -7.977 0.000 -0.071) 7.977 18.888 ( -13.803 0.000 0.881) 13.832 21.013 ( 11.364 0.000 1.891) 11.520 21.307 ( 17.230 0.000 -1.947) 17.340 21.654 ( 3.607 0.000 -1.095) 3.769 21.931 ( -6.648 0.000 0.263) 6.654 22.068 ( -4.691 0.000 -1.049) 4.807 22.989 ( 7.515 0.000 0.312) 7.521 23.153 ( -10.364 0.000 8.320) 13.291 23.779 ( -2.984 0.000 -9.688) 10.137 ======================= Grid point 408 (129/150) ======================= q-point: ( 0.38 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.649 ( 3.507 0.000 22.511) 22.783 4.888 ( 10.423 0.000 17.051) 19.984 4.900 ( -6.766 0.000 2.669) 7.273 5.158 ( -7.720 0.000 6.060) 9.815 5.451 ( 1.176 0.000 -10.374) 10.441 5.821 ( -15.855 0.000 -16.167) 22.645 6.216 ( 21.651 0.000 -8.292) 23.184 6.715 ( -4.500 0.000 -10.770) 11.672 7.697 ( 16.383 0.000 14.633) 21.967 8.013 ( 7.465 0.000 -3.746) 8.352 8.035 ( 13.519 0.000 9.776) 16.683 8.098 ( 20.327 0.000 0.114) 20.327 8.360 ( 6.306 0.000 0.933) 6.374 8.672 ( -1.746 0.000 1.474) 2.285 8.862 ( 10.003 0.000 -1.565) 10.125 8.946 ( 8.284 0.000 -5.709) 10.061 9.145 ( 2.000 0.000 -3.241) 3.809 9.319 ( -4.600 0.000 -7.045) 8.414 10.017 ( 1.899 0.000 -0.782) 2.054 10.103 ( 2.046 0.000 -8.695) 8.932 10.367 ( 3.713 0.000 -0.178) 3.717 10.413 ( -8.688 0.000 6.056) 10.590 10.570 ( -15.865 0.000 1.396) 15.926 10.875 ( -20.720 0.000 4.868) 21.284 11.553 ( 13.702 0.000 1.320) 13.766 11.706 ( 14.614 0.000 1.011) 14.649 11.970 ( -1.767 0.000 1.816) 2.534 12.017 ( -8.527 0.000 -2.238) 8.816 12.680 ( -5.814 0.000 4.603) 7.415 12.766 ( -8.393 0.000 5.870) 10.242 12.791 ( -11.125 0.000 -6.151) 12.712 13.139 ( -24.093 0.000 2.600) 24.233 13.468 ( 6.285 0.000 -1.071) 6.375 13.685 ( -3.806 0.000 -1.976) 4.288 14.385 ( 7.109 0.000 3.253) 7.818 14.396 ( 6.872 0.000 1.823) 7.110 14.478 ( 1.406 0.000 5.171) 5.359 14.637 ( -5.389 0.000 5.290) 7.552 15.127 ( 7.602 0.000 2.539) 8.015 15.345 ( 2.252 0.000 15.191) 15.357 15.711 ( 9.713 0.000 -15.232) 18.065 15.904 ( 8.923 0.000 1.444) 9.039 16.170 ( 1.088 0.000 -3.920) 4.069 16.200 ( -7.453 0.000 -0.871) 7.503 16.204 ( 14.863 0.000 2.290) 15.038 16.473 ( 7.118 0.000 -10.223) 12.457 16.886 ( -18.447 0.000 1.463) 18.505 16.976 ( -13.588 0.000 -8.937) 16.264 17.109 ( 5.495 0.000 -5.465) 7.750 17.389 ( -7.059 0.000 -5.882) 9.188 18.377 ( -2.152 0.000 1.751) 2.774 18.616 ( -12.613 0.000 2.004) 12.771 21.244 ( 11.640 0.000 -0.110) 11.640 21.597 ( 3.583 0.000 -1.117) 3.753 21.740 ( 4.951 0.000 -1.121) 5.076 21.872 ( 8.680 0.000 2.853) 9.137 21.963 ( -5.704 0.000 -1.096) 5.808 22.704 ( -21.984 0.000 6.299) 22.868 23.322 ( 13.228 0.000 -2.677) 13.496 23.701 ( -5.343 0.000 -6.177) 8.167 ======================= Grid point 409 (130/150) ======================= q-point: (-0.50 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.758 ( -6.902 0.000 15.351) 16.831 4.758 ( 6.902 0.000 15.351) 16.831 5.029 ( -5.754 0.000 12.382) 13.654 5.029 ( 5.754 0.000 12.382) 13.654 5.562 ( -9.663 0.000 -16.186) 18.852 5.562 ( 9.663 0.000 -16.186) 18.852 6.560 ( -11.985 0.000 -10.472) 15.915 6.560 ( 11.985 0.000 -10.472) 15.915 7.948 ( -9.366 0.000 7.012) 11.700 7.948 ( 9.366 0.000 7.012) 11.700 8.268 ( -4.495 0.000 5.777) 7.319 8.268 ( 4.495 0.000 5.777) 7.319 8.569 ( -9.077 0.000 1.886) 9.271 8.569 ( 9.077 0.000 1.886) 9.271 9.014 ( -3.113 0.000 -5.422) 6.252 9.014 ( 3.113 0.000 -5.422) 6.252 9.206 ( -4.966 0.000 -6.543) 8.214 9.206 ( 4.966 0.000 -6.543) 8.214 10.094 ( -3.993 0.000 -3.694) 5.440 10.094 ( 3.993 0.000 -3.694) 5.440 10.350 ( -4.402 0.000 3.358) 5.536 10.350 ( 4.402 0.000 3.358) 5.536 10.491 ( -12.376 0.000 1.868) 12.516 10.491 ( 12.376 0.000 1.868) 12.516 11.812 ( -11.946 0.000 -0.486) 11.955 11.812 ( 11.946 0.000 -0.486) 11.955 11.956 ( -5.797 0.000 1.980) 6.125 11.956 ( 5.797 0.000 1.980) 6.125 12.647 ( -2.828 0.000 -0.829) 2.947 12.647 ( 2.828 0.000 -0.829) 2.947 12.750 ( -10.526 0.000 3.474) 11.085 12.750 ( 10.526 0.000 3.474) 11.085 13.589 ( -5.625 0.000 -0.734) 5.673 13.589 ( 5.625 0.000 -0.734) 5.673 14.482 ( -1.748 0.000 3.323) 3.755 14.482 ( 1.748 0.000 3.323) 3.755 14.519 ( -6.357 0.000 4.501) 7.789 14.519 ( 6.357 0.000 4.501) 7.789 15.273 ( -6.624 0.000 4.655) 8.095 15.273 ( 6.624 0.000 4.655) 8.095 15.980 ( -13.850 0.000 -3.641) 14.321 15.980 ( 13.850 0.000 -3.641) 14.321 16.075 ( -8.192 0.000 0.043) 8.192 16.075 ( 8.192 0.000 0.043) 8.192 16.527 ( -15.952 0.000 0.332) 15.956 16.527 ( 15.952 0.000 0.332) 15.956 16.703 ( -12.727 0.000 -10.135) 16.269 16.703 ( 12.727 0.000 -10.135) 16.269 17.243 ( -7.386 0.000 -6.003) 9.518 17.243 ( 7.386 0.000 -6.003) 9.518 18.420 ( -6.417 0.000 2.400) 6.851 18.420 ( 6.417 0.000 2.400) 6.851 21.468 ( -10.477 0.000 -0.542) 10.491 21.468 ( 10.477 0.000 -0.542) 10.491 21.848 ( -5.723 0.000 -1.124) 5.832 21.848 ( 5.723 0.000 -1.124) 5.832 22.249 ( -22.811 0.000 4.286) 23.211 22.249 ( 22.811 0.000 4.286) 23.211 23.554 ( -9.596 0.000 -4.190) 10.470 23.554 ( 9.596 0.000 -4.190) 10.470 ======================= Grid point 414 (131/150) ======================= q-point: ( 0.00 0.12 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.492 ( 0.000 1.561 9.731) 9.855 4.725 ( 0.000 -3.635 28.257) 28.490 5.178 ( 0.000 4.072 -14.690) 15.244 5.644 ( 0.000 -31.266 -0.904) 31.279 5.693 ( 0.000 -0.795 4.398) 4.470 5.829 ( 0.000 5.495 -8.174) 9.850 6.526 ( 0.000 21.835 16.566) 27.408 6.742 ( 0.000 8.418 -3.973) 9.309 6.804 ( 0.000 4.889 6.498) 8.132 6.940 ( 0.000 1.375 -21.242) 21.287 7.012 ( 0.000 9.484 -12.847) 15.969 7.989 ( 0.000 5.714 12.688) 13.915 8.362 ( 0.000 -0.587 11.198) 11.214 8.542 ( 0.000 5.643 1.085) 5.747 8.554 ( 0.000 0.228 -5.876) 5.880 8.723 ( 0.000 4.087 4.361) 5.977 8.842 ( 0.000 -5.948 -2.838) 6.590 9.099 ( 0.000 -1.765 -14.879) 14.983 9.964 ( 0.000 -5.275 0.916) 5.354 10.193 ( 0.000 -5.038 -6.159) 7.957 10.377 ( 0.000 0.681 -6.730) 6.764 10.514 ( 0.000 -1.732 3.881) 4.250 10.931 ( 0.000 9.761 2.644) 10.113 11.009 ( 0.000 7.238 6.345) 9.625 11.423 ( 0.000 1.002 2.258) 2.471 11.538 ( 0.000 -1.159 -0.623) 1.316 12.194 ( 0.000 0.419 -1.757) 1.806 12.842 ( 0.000 -13.000 11.664) 17.466 12.928 ( 0.000 -21.573 2.170) 21.682 13.061 ( 0.000 -8.953 -9.842) 13.305 13.470 ( 0.000 15.338 6.611) 16.702 13.675 ( 0.000 -2.969 3.183) 4.353 13.739 ( 0.000 -10.583 1.945) 10.761 13.764 ( 0.000 2.357 1.903) 3.029 13.854 ( 0.000 8.436 -8.436) 11.930 14.140 ( 0.000 1.293 2.958) 3.228 14.397 ( 0.000 -0.049 2.939) 2.940 14.660 ( 0.000 1.193 5.925) 6.044 14.826 ( 0.000 -0.316 -0.782) 0.844 14.884 ( 0.000 3.554 10.499) 11.084 15.229 ( 0.000 5.682 2.423) 6.177 15.827 ( 0.000 -5.455 -12.841) 13.951 15.958 ( 0.000 2.176 5.844) 6.236 16.106 ( 0.000 9.017 -1.613) 9.160 16.206 ( 0.000 6.200 -10.255) 11.983 16.289 ( 0.000 6.998 -6.739) 9.715 17.130 ( 0.000 7.323 0.286) 7.328 17.415 ( 0.000 -1.864 -3.210) 3.712 17.654 ( 0.000 2.252 -4.766) 5.272 17.717 ( 0.000 0.400 3.367) 3.391 18.638 ( 0.000 -9.166 -3.506) 9.814 19.156 ( 0.000 -7.541 -1.297) 7.652 20.720 ( 0.000 1.639 9.413) 9.554 20.942 ( 0.000 0.908 -9.077) 9.123 21.623 ( 0.000 4.268 -0.767) 4.336 22.095 ( 0.000 1.593 -1.232) 2.014 22.228 ( 0.000 5.684 -1.322) 5.836 22.628 ( 0.000 -2.815 -0.403) 2.844 23.392 ( 0.000 -7.809 18.553) 20.129 23.761 ( 0.000 -10.143 -17.409) 20.148 ======================= Grid point 415 (132/150) ======================= q-point: ( 0.12 0.12 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.837 ( 31.086 1.422 10.447) 32.825 4.650 ( -5.062 -6.114 25.471) 26.679 5.133 ( -3.025 5.028 -14.134) 15.303 5.494 ( -6.783 -1.132 1.446) 7.027 5.768 ( 1.525 5.959 -2.098) 6.499 6.171 ( 21.532 -15.531 2.407) 26.657 6.231 ( -10.243 18.105 7.404) 22.080 6.588 ( -17.355 2.301 -16.046) 23.748 6.770 ( 0.231 0.367 -2.963) 2.994 7.076 ( 15.389 -5.083 3.332) 16.546 7.424 ( 25.154 15.624 -10.037) 31.266 7.947 ( -2.607 5.519 9.731) 11.487 8.391 ( 1.400 -1.411 8.761) 8.984 8.560 ( 3.118 5.278 0.699) 6.170 8.607 ( 5.177 1.749 -4.526) 7.095 8.713 ( -0.867 2.777 5.133) 5.900 8.963 ( 8.704 -4.721 -1.314) 9.989 9.129 ( 3.854 -4.027 -14.823) 15.837 9.970 ( 0.733 -6.176 0.815) 6.273 10.141 ( -5.371 -2.356 -0.385) 5.878 10.235 ( -5.331 -1.228 -10.360) 11.716 10.732 ( 11.874 -3.496 3.254) 12.799 10.849 ( -3.911 8.535 2.437) 9.699 11.135 ( 7.262 8.384 7.839) 13.583 11.308 ( -8.457 2.750 -0.003) 8.893 11.511 ( -1.748 -0.790 -0.535) 1.991 12.200 ( -0.466 0.690 -2.076) 2.237 12.618 ( -21.886 -17.218 3.485) 28.064 12.861 ( -3.150 -10.714 9.965) 14.967 13.130 ( 3.211 -11.038 -8.162) 14.099 13.314 ( -12.626 10.065 7.120) 17.647 13.457 ( -11.581 7.120 -6.384) 15.019 13.660 ( -2.342 -5.217 3.562) 6.737 13.937 ( 10.243 -1.873 2.613) 10.736 14.002 ( -9.134 -0.034 -1.765) 9.303 14.090 ( 9.519 4.889 0.326) 10.706 14.509 ( 7.563 5.385 4.851) 10.475 14.697 ( 4.742 -4.752 6.276) 9.190 14.793 ( -1.973 -0.654 2.674) 3.387 14.944 ( 5.646 3.354 8.230) 10.529 15.372 ( 13.154 4.804 1.025) 14.042 15.747 ( -5.549 -3.560 -11.757) 13.480 16.010 ( 2.953 4.168 7.030) 8.690 16.103 ( -0.282 4.058 -6.221) 7.433 16.198 ( 1.649 6.152 -8.812) 10.873 16.377 ( 6.106 7.198 -5.775) 11.065 17.114 ( -1.329 6.671 -0.362) 6.812 17.354 ( -6.016 -1.752 -3.960) 7.413 17.595 ( -11.720 0.249 2.562) 12.000 17.624 ( -3.105 2.167 -4.774) 6.093 18.562 ( -6.921 -8.738 -2.392) 11.400 19.055 ( -9.520 -7.543 -0.569) 12.159 20.816 ( 8.716 1.362 6.573) 11.001 21.040 ( 9.816 1.087 -6.532) 11.841 21.632 ( 1.019 3.238 -0.749) 3.476 22.036 ( -5.483 -0.007 -0.734) 5.532 22.213 ( -1.775 6.437 -1.127) 6.772 22.737 ( 10.171 -2.318 -1.029) 10.482 23.328 ( -7.016 -6.151 16.631) 19.070 23.730 ( -2.313 -10.129 -15.735) 18.856 ======================= Grid point 416 (133/150) ======================= q-point: ( 0.25 0.12 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.478 ( 21.189 -0.890 20.129) 29.240 4.650 ( 11.905 0.204 14.955) 19.116 5.084 ( -1.727 8.980 -9.915) 13.488 5.347 ( -8.247 7.014 0.617) 10.844 5.803 ( -1.912 15.157 9.234) 17.851 5.986 ( -0.974 16.753 -5.441) 17.641 6.220 ( -15.415 5.075 -15.408) 22.378 6.740 ( 5.372 -7.966 -7.807) 12.380 6.880 ( 27.167 -18.952 7.919) 34.058 7.343 ( 12.524 -17.516 -3.376) 21.796 7.916 ( 17.475 11.523 4.358) 21.381 7.956 ( 9.123 4.207 0.840) 10.081 8.377 ( -2.231 0.051 4.845) 5.334 8.666 ( 2.658 -0.967 0.900) 2.968 8.698 ( 3.286 3.492 2.985) 5.648 8.756 ( 8.664 2.607 -4.509) 10.109 9.076 ( 3.320 -3.176 -3.143) 5.566 9.247 ( 4.930 -7.818 -9.615) 13.337 10.003 ( 2.662 -6.624 1.186) 7.237 10.047 ( -2.216 -1.725 -0.018) 2.808 10.169 ( -2.542 -2.364 -9.517) 10.131 10.743 ( -4.767 7.941 5.770) 10.912 10.842 ( -7.233 -2.098 0.740) 7.568 11.113 ( -0.774 4.148 6.008) 7.342 11.369 ( 7.348 6.119 0.280) 9.566 11.548 ( 8.592 4.008 0.507) 9.494 12.023 ( -23.693 -12.086 0.668) 26.606 12.237 ( -5.791 -0.523 -0.042) 5.815 12.772 ( -5.272 -6.622 7.689) 11.435 13.022 ( -11.203 4.459 1.527) 12.154 13.172 ( -13.650 8.025 -4.741) 16.528 13.281 ( 3.461 -4.752 -1.834) 6.158 13.568 ( -12.985 -0.978 8.681) 15.650 13.738 ( -8.577 -1.842 -7.298) 11.411 14.189 ( 11.981 -1.670 1.727) 12.219 14.259 ( 7.638 2.073 2.518) 8.305 14.569 ( 0.046 11.230 5.722) 12.603 14.720 ( -3.001 -1.233 5.195) 6.124 14.909 ( 10.358 -7.054 2.323) 12.746 15.132 ( 13.363 2.170 12.497) 18.425 15.639 ( -1.933 -2.494 -12.239) 12.639 15.685 ( 13.588 1.897 -3.016) 14.047 16.074 ( 4.498 5.038 6.737) 9.539 16.126 ( 3.213 2.981 -7.776) 8.926 16.242 ( 1.231 1.954 -5.534) 5.996 16.483 ( 3.859 8.386 -5.066) 10.531 17.098 ( 0.423 4.959 -2.326) 5.493 17.184 ( -10.908 -1.425 -4.932) 12.055 17.283 ( -18.036 0.214 0.092) 18.037 17.538 ( -5.450 2.039 -4.946) 7.637 18.404 ( -7.772 -8.111 -0.291) 11.237 18.813 ( -13.864 -7.582 0.727) 15.819 21.023 ( 11.272 1.105 1.879) 11.480 21.314 ( 16.683 0.692 -1.965) 16.813 21.669 ( 2.776 1.402 -0.767) 3.204 21.897 ( -7.911 -2.285 0.163) 8.236 22.153 ( -3.981 7.290 -0.685) 8.335 22.973 ( 8.180 -1.492 -0.253) 8.319 23.115 ( -9.804 -3.888 8.901) 13.800 23.691 ( -1.800 -8.690 -10.442) 13.704 ======================= Grid point 417 (134/150) ======================= q-point: ( 0.38 0.12 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.673 ( 9.041 3.144 22.911) 24.831 4.956 ( 6.216 7.261 7.765) 12.314 5.073 ( 1.115 15.211 5.815) 16.323 5.182 ( -7.176 6.677 1.868) 9.978 5.690 ( -4.729 18.932 0.205) 19.515 5.859 ( -12.901 4.081 -15.019) 20.215 6.308 ( 18.395 9.059 -9.555) 22.621 6.727 ( -3.206 1.197 -9.292) 9.902 7.419 ( 20.932 -22.780 13.318) 33.682 7.630 ( 14.834 -23.552 -6.792) 28.651 8.082 ( 10.624 1.180 7.574) 13.100 8.272 ( 8.083 2.172 5.930) 10.258 8.371 ( 5.481 0.245 -0.964) 5.570 8.620 ( -4.383 -4.027 4.726) 7.600 8.809 ( 2.949 -5.222 -6.713) 9.002 8.881 ( 1.348 -5.053 -6.623) 8.439 9.143 ( 4.094 -1.679 -1.900) 4.816 9.274 ( -1.042 -4.909 -7.012) 8.623 10.020 ( 0.507 -2.117 -0.885) 2.350 10.103 ( -2.342 -9.325 -3.803) 10.339 10.130 ( 6.997 1.677 -0.343) 7.203 10.596 ( -7.810 6.919 5.122) 11.624 10.705 ( -4.458 12.190 0.818) 13.005 10.940 ( -19.624 5.403 5.073) 20.977 11.488 ( 5.577 -3.124 -1.118) 6.489 11.662 ( -6.322 -15.805 1.253) 17.068 11.872 ( 19.676 10.001 0.105) 22.072 12.211 ( 1.788 7.519 0.764) 7.766 12.690 ( -2.101 -2.595 4.794) 5.842 12.802 ( -11.009 7.434 3.459) 13.727 12.868 ( -13.868 7.028 -4.242) 16.116 13.128 ( -24.052 -1.601 1.353) 24.143 13.420 ( 6.562 -4.171 1.746) 7.969 13.652 ( -3.877 -3.717 -1.357) 5.540 14.379 ( 7.036 -0.055 3.982) 8.085 14.412 ( 6.938 1.159 0.789) 7.078 14.568 ( 0.197 8.914 5.100) 10.272 14.651 ( -3.837 1.383 4.387) 5.991 15.089 ( 8.243 -3.773 1.558) 9.198 15.328 ( 1.218 -0.920 13.173) 13.261 15.677 ( 10.456 -2.265 -13.460) 17.194 15.938 ( 10.124 2.098 -0.294) 10.343 16.155 ( -3.165 -3.932 -2.038) 5.444 16.196 ( 0.073 1.929 -4.063) 4.498 16.282 ( 10.270 7.402 3.278) 13.077 16.545 ( 4.369 7.230 -8.316) 11.854 16.883 ( -17.759 0.040 1.061) 17.790 16.972 ( -13.119 -0.082 -9.068) 15.948 17.154 ( 4.830 3.879 -4.605) 7.719 17.414 ( -6.818 2.174 -5.148) 8.816 18.296 ( -2.150 -7.986 1.311) 8.374 18.539 ( -12.753 -7.737 1.697) 15.013 21.249 ( 11.247 0.616 0.166) 11.265 21.594 ( 3.232 -0.336 -0.933) 3.381 21.743 ( 4.488 0.243 -0.990) 4.602 21.790 ( 3.092 -4.567 1.611) 5.746 22.084 ( -0.844 8.357 0.366) 8.408 22.701 ( -20.610 -0.367 6.299) 21.554 23.292 ( 12.862 -2.891 -3.095) 13.541 23.637 ( -4.126 -6.226 -6.657) 10.005 ======================= Grid point 418 (135/150) ======================= q-point: (-0.50 0.12 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.874 ( -9.895 11.191 16.646) 22.366 4.874 ( 9.895 11.191 16.646) 22.366 5.110 ( -1.536 8.661 7.156) 11.339 5.110 ( 1.536 8.661 7.156) 11.339 5.679 ( -4.260 10.719 -12.354) 16.901 5.679 ( 4.260 10.719 -12.354) 16.901 6.603 ( -9.979 4.801 -9.411) 14.532 6.603 ( 9.979 4.801 -9.411) 14.532 7.713 ( -7.550 -20.333 5.516) 22.380 7.713 ( 7.550 -20.333 5.516) 22.380 8.309 ( -6.609 1.626 6.346) 9.306 8.309 ( 6.609 1.626 6.346) 9.306 8.507 ( -5.902 -6.067 3.085) 9.009 8.507 ( 5.902 -6.067 3.085) 9.009 8.828 ( -2.651 -14.843 -10.959) 18.640 8.828 ( 2.651 -14.843 -10.959) 18.640 9.231 ( -3.650 -0.903 -2.708) 4.634 9.231 ( 3.650 -0.903 -2.708) 4.634 10.039 ( -2.106 -4.428 -4.209) 6.461 10.039 ( 2.106 -4.428 -4.209) 6.461 10.389 ( -16.615 5.741 6.039) 18.587 10.389 ( 16.615 5.741 6.039) 18.587 10.655 ( -2.956 12.180 0.676) 12.552 10.655 ( 2.956 12.180 0.676) 12.552 11.586 ( -3.893 -12.151 -0.745) 12.781 11.586 ( 3.893 -12.151 -0.745) 12.781 12.222 ( -7.834 15.954 2.045) 17.890 12.222 ( 7.834 15.954 2.045) 17.890 12.652 ( -4.632 -0.772 0.462) 4.719 12.652 ( 4.632 -0.772 0.462) 4.719 12.758 ( -8.495 2.428 1.535) 8.967 12.758 ( 8.495 2.428 1.535) 8.967 13.552 ( -6.090 -3.977 0.862) 7.325 13.552 ( 6.090 -3.977 0.862) 7.325 14.476 ( -1.596 -0.080 3.113) 3.499 14.476 ( 1.596 -0.080 3.113) 3.499 14.583 ( -2.092 6.012 3.727) 7.376 14.583 ( 2.092 6.012 3.727) 7.376 15.243 ( -6.990 -2.508 3.535) 8.225 15.243 ( 6.990 -2.508 3.535) 8.225 15.953 ( -13.925 -2.042 -3.211) 14.436 15.953 ( 13.925 -2.042 -3.211) 14.436 16.119 ( -7.770 2.695 -0.580) 8.244 16.119 ( 7.770 2.695 -0.580) 8.244 16.553 ( -15.049 2.886 1.380) 15.386 16.553 ( 15.049 2.886 1.380) 15.386 16.717 ( -11.744 2.079 -10.551) 15.923 16.717 ( 11.744 2.079 -10.551) 15.923 17.275 ( -6.865 2.865 -5.268) 9.115 17.275 ( 6.865 2.865 -5.268) 9.115 18.339 ( -6.529 -7.970 1.970) 10.489 18.339 ( 6.529 -7.970 1.970) 10.489 21.463 ( -10.031 -0.464 -0.200) 10.044 21.463 ( 10.031 -0.464 -0.200) 10.044 21.832 ( -3.483 -1.278 -0.696) 3.775 21.832 ( 3.483 -1.278 -0.696) 3.775 22.287 ( -19.334 3.453 3.906) 20.024 22.287 ( 19.334 3.453 3.906) 20.024 23.511 ( -8.727 -4.148 -4.610) 10.707 23.511 ( 8.727 -4.148 -4.610) 10.707 ======================= Grid point 423 (136/150) ======================= q-point: ( 0.00 0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.555 ( 0.000 5.370 7.922) 9.570 4.608 ( 0.000 -5.147 22.061) 22.654 5.036 ( 0.000 -30.305 -1.192) 30.329 5.255 ( 0.000 -0.259 -1.136) 1.165 5.801 ( 0.000 10.027 2.033) 10.231 6.008 ( 0.000 9.686 -13.688) 16.768 6.686 ( 0.000 -6.697 5.904) 8.928 6.692 ( 0.000 7.036 -0.454) 7.051 6.838 ( 0.000 -4.269 -8.068) 9.128 7.297 ( 0.000 26.549 -1.126) 26.573 7.320 ( 0.000 16.853 -1.244) 16.899 8.116 ( 0.000 6.403 7.880) 10.153 8.383 ( 0.000 6.361 0.911) 6.425 8.536 ( 0.000 -8.977 -2.880) 9.428 8.590 ( 0.000 -6.764 -1.560) 6.942 8.794 ( 0.000 10.080 -2.064) 10.289 8.821 ( 0.000 5.236 6.461) 8.316 9.146 ( 0.000 7.245 -13.973) 15.740 9.808 ( 0.000 -10.289 0.240) 10.291 10.129 ( 0.000 0.550 -1.340) 1.448 10.419 ( 0.000 -8.696 4.935) 9.998 10.430 ( 0.000 5.335 -8.239) 9.816 11.127 ( 0.000 8.284 4.651) 9.501 11.201 ( 0.000 12.041 7.151) 14.004 11.419 ( 0.000 -2.686 1.546) 3.099 11.520 ( 0.000 0.585 0.360) 0.687 12.181 ( 0.000 -2.970 2.643) 3.976 12.479 ( 0.000 -22.679 1.245) 22.714 12.623 ( 0.000 -8.400 8.059) 11.640 12.881 ( 0.000 -8.754 -12.190) 15.008 13.361 ( 0.000 -20.944 3.081) 21.169 13.556 ( 0.000 -14.934 0.459) 14.941 13.753 ( 0.000 13.204 4.095) 13.824 13.830 ( 0.000 4.328 2.092) 4.807 13.997 ( 0.000 5.153 -3.808) 6.407 14.120 ( 0.000 0.360 3.139) 3.159 14.375 ( 0.000 -2.571 1.496) 2.975 14.685 ( 0.000 -3.352 9.357) 9.939 14.966 ( 0.000 16.634 -5.244) 17.441 14.999 ( 0.000 8.023 7.601) 11.052 15.401 ( 0.000 11.520 4.242) 12.276 15.712 ( 0.000 -5.615 -13.434) 14.560 15.958 ( 0.000 -1.385 -2.707) 3.041 16.311 ( 0.000 3.167 -6.918) 7.609 16.353 ( 0.000 12.737 4.981) 13.676 16.476 ( 0.000 12.255 -6.748) 13.990 17.284 ( 0.000 6.605 2.845) 7.192 17.376 ( 0.000 -0.959 -4.412) 4.515 17.705 ( 0.000 2.718 -3.164) 4.171 17.759 ( 0.000 4.782 1.679) 5.069 18.398 ( 0.000 -14.634 -2.690) 14.879 18.943 ( 0.000 -14.053 -1.587) 14.142 20.772 ( 0.000 3.829 6.143) 7.239 20.965 ( 0.000 1.320 -7.059) 7.182 21.740 ( 0.000 7.596 0.617) 7.621 22.143 ( 0.000 3.222 -1.133) 3.416 22.376 ( 0.000 8.678 -1.871) 8.878 22.551 ( 0.000 -4.957 -0.501) 4.982 23.156 ( 0.000 -15.802 15.812) 22.355 23.518 ( 0.000 -13.492 -15.507) 20.555 ======================= Grid point 424 (137/150) ======================= q-point: ( 0.12 0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.898 ( 31.115 5.277 8.517) 32.688 4.516 ( -2.780 -4.647 16.554) 17.417 5.233 ( 6.183 -2.801 3.613) 7.689 5.375 ( 15.981 -13.935 -0.882) 21.221 5.829 ( 4.255 4.920 2.059) 6.822 6.026 ( 3.612 5.968 -12.344) 14.178 6.495 ( -12.001 5.323 -2.274) 13.324 6.718 ( -4.334 -2.769 3.782) 6.384 6.863 ( -4.561 7.704 1.784) 9.129 7.013 ( -2.490 15.221 -9.937) 18.347 7.685 ( 17.143 8.777 1.007) 19.285 8.066 ( -3.685 6.217 5.563) 9.120 8.396 ( 0.261 2.666 -1.080) 2.889 8.566 ( 4.367 -5.828 2.116) 7.584 8.679 ( 5.957 0.621 -0.465) 6.007 8.801 ( 1.422 1.573 5.998) 6.361 8.890 ( 5.402 4.754 -4.152) 8.308 9.108 ( -3.146 3.540 -14.942) 15.675 9.789 ( -0.924 -10.516 -0.128) 10.557 10.121 ( -2.980 0.841 3.261) 4.496 10.236 ( -4.650 0.187 -6.359) 7.880 10.663 ( 10.763 -2.004 0.506) 10.960 11.032 ( -4.570 9.281 4.140) 11.143 11.264 ( -6.734 0.316 7.275) 9.918 11.395 ( 7.359 7.729 0.568) 10.687 11.501 ( -0.875 0.845 0.424) 1.288 12.206 ( -0.357 -0.930 1.478) 1.782 12.245 ( -17.437 -19.472 2.532) 26.261 12.671 ( 0.693 -7.800 7.944) 11.154 12.893 ( 1.739 -12.272 -10.627) 16.327 13.380 ( -8.645 -4.951 1.835) 10.130 13.395 ( 1.128 -14.011 0.893) 14.084 13.685 ( -8.447 9.556 1.665) 12.863 13.932 ( 8.013 2.112 2.493) 8.654 14.006 ( -7.902 -0.341 -0.197) 7.912 14.172 ( 8.526 4.495 2.070) 9.858 14.458 ( 10.365 -6.359 1.650) 12.271 14.689 ( 0.132 -3.678 6.813) 7.744 14.916 ( -3.272 15.451 0.681) 15.809 15.063 ( 5.507 9.120 6.376) 12.416 15.518 ( 10.277 9.745 0.925) 14.193 15.681 ( -2.774 -2.892 -12.830) 13.441 15.967 ( 0.889 -4.399 -3.749) 5.848 16.267 ( -1.813 6.215 -2.546) 6.957 16.390 ( 0.697 12.637 1.101) 12.704 16.534 ( 6.049 8.506 -5.931) 12.004 17.249 ( -3.301 5.088 2.399) 6.522 17.320 ( -5.369 -0.091 -4.929) 7.289 17.632 ( -11.997 4.518 0.694) 12.839 17.672 ( -3.357 2.406 -3.153) 5.196 18.335 ( -5.821 -13.630 -2.068) 14.964 18.843 ( -9.412 -13.887 -1.037) 16.808 20.864 ( 8.364 3.638 4.292) 10.080 21.067 ( 9.891 1.416 -5.131) 11.232 21.717 ( -1.631 5.295 0.440) 5.558 22.045 ( -8.387 0.693 -0.412) 8.426 22.372 ( -1.043 9.163 -0.521) 9.237 22.680 ( 11.455 -3.139 -2.288) 12.096 23.145 ( -2.530 -12.360 16.878) 21.073 23.481 ( -2.484 -14.063 -16.871) 22.104 ======================= Grid point 425 (138/150) ======================= q-point: ( 0.25 0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.509 ( 16.374 5.302 19.237) 25.812 4.673 ( 26.457 3.563 4.818) 27.127 5.336 ( 6.043 13.075 0.548) 14.414 5.541 ( -0.970 8.368 1.629) 8.580 5.986 ( 9.196 0.383 4.474) 10.234 6.229 ( -12.033 8.793 -5.947) 16.046 6.330 ( 24.964 -17.568 -5.409) 31.001 6.474 ( -13.469 11.563 -5.245) 18.511 6.840 ( 2.188 7.660 7.516) 10.953 7.083 ( 4.920 -3.769 -10.349) 12.063 7.944 ( 6.104 -3.724 5.993) 9.330 8.047 ( 5.180 3.608 0.095) 6.313 8.387 ( -0.815 0.635 -1.139) 1.538 8.627 ( -0.616 -5.933 8.361) 10.270 8.740 ( -0.460 2.891 -3.553) 4.603 8.866 ( 1.135 2.520 0.828) 2.885 8.978 ( 4.176 -9.347 -4.867) 11.335 9.070 ( 0.784 -3.928 -14.023) 14.584 9.821 ( 4.772 -7.115 -0.067) 8.568 10.020 ( -4.777 -2.694 2.525) 6.038 10.220 ( 0.434 5.407 -3.551) 6.483 10.789 ( 0.713 3.292 3.682) 4.991 10.964 ( -2.957 8.413 2.624) 9.295 11.131 ( -1.614 -2.972 2.736) 4.350 11.471 ( 0.430 5.259 -0.393) 5.291 11.651 ( 10.143 0.669 5.076) 11.362 11.769 ( -21.711 -8.683 -1.218) 23.415 12.237 ( 1.398 -0.191 2.440) 2.818 12.650 ( -1.465 -4.613 4.007) 6.283 12.947 ( 2.766 -11.061 -3.639) 11.968 13.248 ( -4.078 2.058 2.792) 5.354 13.349 ( -11.916 5.393 -2.648) 13.345 13.503 ( -5.863 -4.329 6.671) 9.880 13.709 ( -16.029 -0.422 -3.398) 16.391 14.193 ( 12.948 2.392 3.104) 13.528 14.300 ( 6.091 2.170 3.224) 7.225 14.665 ( 1.644 -3.797 5.437) 6.833 14.748 ( 10.092 -7.917 -0.484) 12.836 14.861 ( -0.489 16.724 3.157) 17.026 15.225 ( 10.218 7.168 10.027) 16.010 15.606 ( -3.019 -0.572 -13.924) 14.259 15.759 ( 11.542 5.648 -2.680) 13.127 15.997 ( 2.321 -7.495 -4.878) 9.239 16.248 ( -0.555 3.283 -1.150) 3.523 16.399 ( 1.312 12.586 1.697) 12.768 16.667 ( 5.783 9.232 -4.437) 11.763 17.150 ( -8.132 -1.253 -3.427) 8.914 17.192 ( -5.815 3.753 -1.026) 6.997 17.331 ( -15.714 5.402 -2.329) 16.779 17.579 ( -5.765 1.738 -3.097) 6.770 18.196 ( -7.188 -12.206 -1.014) 14.201 18.603 ( -13.805 -13.577 -0.147) 19.364 21.065 ( 10.945 3.434 1.617) 11.585 21.331 ( 15.506 0.798 -1.928) 15.646 21.701 ( 0.485 1.685 0.108) 1.757 21.855 ( -9.794 -2.112 0.521) 10.033 22.321 ( -3.811 9.420 0.419) 10.170 22.940 ( 9.565 -1.437 -2.164) 9.912 23.004 ( -7.635 -7.298 10.380) 14.809 23.469 ( 1.053 -13.051 -12.557) 18.141 ======================= Grid point 426 (139/150) ======================= q-point: ( 0.38 0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.805 ( 16.900 10.930 18.627) 27.423 5.127 ( 15.016 9.887 3.941) 18.406 5.424 ( -5.881 16.306 3.810) 17.748 5.449 ( -1.350 20.941 5.728) 21.752 5.948 ( -9.351 6.480 -12.495) 16.899 6.071 ( -8.673 15.177 5.153) 18.224 6.491 ( 17.533 3.629 -6.959) 19.210 6.756 ( 7.389 -1.417 -2.755) 8.012 6.996 ( 17.041 -12.797 6.438) 22.263 7.208 ( 8.544 -14.250 -9.327) 19.054 8.004 ( 4.042 -8.180 11.360) 14.570 8.216 ( 8.345 -5.427 -1.308) 10.040 8.380 ( 0.538 0.410 -2.319) 2.416 8.547 ( -6.318 -4.964 7.683) 11.117 8.634 ( -9.977 -10.489 -9.693) 17.421 8.755 ( -10.285 -8.780 -9.133) 16.318 9.075 ( 3.988 -6.827 -0.366) 7.915 9.114 ( 1.869 -9.488 -5.945) 11.352 9.944 ( 4.095 -4.400 -0.255) 6.016 9.963 ( 0.474 -2.688 -0.597) 2.794 10.257 ( 5.666 7.795 1.857) 9.814 10.770 ( -0.932 10.168 3.002) 10.643 10.905 ( -3.440 7.012 3.576) 8.590 11.038 ( -16.879 3.820 4.699) 17.932 11.356 ( -2.612 -13.325 -2.765) 13.858 11.480 ( -0.845 2.817 -1.895) 3.499 12.047 ( 22.303 4.724 2.282) 22.912 12.312 ( 7.093 3.419 2.343) 8.215 12.648 ( 0.682 0.918 3.111) 3.314 12.929 ( -7.320 -1.500 2.976) 8.043 13.027 ( -14.562 7.819 -3.887) 16.979 13.098 ( -18.005 3.675 0.824) 18.394 13.357 ( -0.723 -1.610 6.523) 6.758 13.533 ( -4.051 -7.925 -1.186) 8.979 14.389 ( 6.618 1.093 4.431) 8.039 14.441 ( 6.356 1.546 0.544) 6.564 14.679 ( 1.285 1.650 3.325) 3.928 14.775 ( -2.244 8.214 5.311) 10.035 15.024 ( 10.603 0.692 -1.236) 10.697 15.342 ( -2.211 2.996 7.581) 8.446 15.654 ( 10.427 0.119 -10.575) 14.852 15.956 ( 7.982 -0.779 -1.151) 8.102 16.042 ( 0.538 -7.090 -6.148) 9.400 16.209 ( -3.528 -1.558 -1.537) 4.152 16.479 ( 6.843 11.872 5.257) 14.677 16.733 ( 1.448 10.731 -4.994) 11.925 16.915 ( -14.231 4.055 -1.477) 14.871 16.992 ( -11.013 2.712 -8.351) 14.085 17.229 ( 3.029 3.156 -2.897) 5.246 17.453 ( -6.533 1.330 -3.152) 7.374 18.089 ( -2.494 -12.270 -0.238) 12.523 18.328 ( -12.861 -13.336 0.367) 18.530 21.275 ( 9.727 2.132 0.837) 9.994 21.578 ( 1.074 -1.567 -0.323) 1.927 21.724 ( 3.403 -2.043 1.287) 4.173 21.746 ( 3.659 -0.040 -0.707) 3.727 22.251 ( -1.575 8.430 1.434) 8.694 22.683 ( -17.130 -1.660 6.456) 18.381 23.223 ( 11.826 -3.675 -4.461) 13.163 23.479 ( -0.969 -9.230 -7.947) 12.218 ======================= Grid point 427 (140/150) ======================= q-point: (-0.50 0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.155 ( -16.367 16.644 16.872) 28.802 5.155 ( 16.367 16.644 16.872) 28.802 5.362 ( -8.084 16.036 1.705) 18.039 5.362 ( 8.084 16.036 1.705) 18.039 5.910 ( -5.052 11.132 -8.741) 15.028 5.910 ( 5.052 11.132 -8.741) 15.028 6.753 ( -5.878 8.955 -1.912) 10.881 6.753 ( 5.878 8.955 -1.912) 10.881 7.281 ( -6.889 -19.896 -0.228) 21.056 7.281 ( 6.889 -19.896 -0.228) 21.056 8.190 ( -13.445 -14.109 10.984) 22.372 8.190 ( 13.445 -14.109 10.984) 22.372 8.439 ( -6.673 -2.252 -4.549) 8.384 8.439 ( 6.673 -2.252 -4.549) 8.384 8.537 ( -7.868 -11.307 -11.193) 17.749 8.537 ( 7.868 -11.307 -11.193) 17.749 9.123 ( -1.015 -9.858 -1.606) 10.039 9.123 ( 1.015 -9.858 -1.606) 10.039 9.974 ( -1.665 -1.810 -1.515) 2.888 9.974 ( 1.665 -1.810 -1.515) 2.888 10.526 ( -19.746 6.757 5.764) 21.651 10.526 ( 19.746 6.757 5.764) 21.651 10.863 ( -2.753 6.956 0.887) 7.534 10.863 ( 2.753 6.956 0.887) 7.534 11.426 ( -4.514 -2.678 -1.770) 5.539 11.426 ( 4.514 -2.678 -1.770) 5.539 12.481 ( -8.622 8.997 3.193) 12.864 12.481 ( 8.622 8.997 3.193) 12.864 12.598 ( -14.372 -3.646 1.635) 14.917 12.598 ( 14.372 -3.646 1.635) 14.917 12.881 ( -3.789 9.592 -0.401) 10.321 12.881 ( 3.789 9.592 -0.401) 10.321 13.438 ( -5.528 -6.994 3.055) 9.424 13.438 ( 5.528 -6.994 3.055) 9.424 14.480 ( -2.101 0.397 1.918) 2.872 14.480 ( 2.101 0.397 1.918) 2.872 14.726 ( -2.775 7.007 4.218) 8.637 14.726 ( 2.775 7.007 4.218) 8.637 15.216 ( -8.575 1.329 0.278) 8.682 15.216 ( 8.575 1.329 0.278) 8.682 15.902 ( -11.518 -3.439 -3.270) 12.457 15.902 ( 11.518 -3.439 -3.270) 12.457 16.122 ( -6.104 -3.132 -1.675) 7.062 16.122 ( 6.104 -3.132 -1.675) 7.062 16.652 ( -10.291 7.417 4.004) 13.302 16.652 ( 10.291 7.417 4.004) 13.302 16.814 ( -6.342 7.857 -10.714) 14.722 16.814 ( 6.342 7.857 -10.714) 14.722 17.328 ( -5.952 1.842 -3.327) 7.063 17.328 ( 5.952 1.842 -3.327) 7.063 18.127 ( -6.457 -13.083 0.315) 14.593 18.127 ( 6.457 -13.083 0.315) 14.593 21.452 ( -8.264 -0.686 0.744) 8.326 21.452 ( 8.264 -0.686 0.744) 8.326 21.811 ( -1.196 -0.645 -0.386) 1.413 21.811 ( 1.196 -0.645 -0.386) 1.413 22.361 ( -13.173 3.555 3.777) 14.158 22.361 ( 13.173 3.555 3.777) 14.158 23.408 ( -6.439 -5.858 -5.799) 10.459 23.408 ( 6.439 -5.858 -5.799) 10.459 ======================= Grid point 432 (141/150) ======================= q-point: ( 0.00 0.38 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.720 ( 0.000 11.902 5.275) 13.018 4.479 ( 0.000 -26.208 0.093) 26.208 4.604 ( 0.000 5.320 16.515) 17.351 5.101 ( 0.000 -13.942 9.734) 17.004 5.999 ( 0.000 9.075 -5.213) 10.465 6.142 ( 0.000 3.562 -12.363) 12.866 6.561 ( 0.000 -4.680 4.447) 6.456 6.683 ( 0.000 -9.469 -2.348) 9.756 7.034 ( 0.000 26.215 -4.475) 26.595 7.645 ( 0.000 17.034 -1.305) 17.084 7.764 ( 0.000 18.540 3.616) 18.890 8.189 ( 0.000 -8.331 3.354) 8.981 8.217 ( 0.000 -12.339 0.552) 12.352 8.325 ( 0.000 -15.791 -1.499) 15.861 8.652 ( 0.000 17.514 -4.805) 18.161 8.951 ( 0.000 8.195 -6.378) 10.384 9.083 ( 0.000 11.589 -2.289) 11.813 9.239 ( 0.000 -0.775 -3.471) 3.556 9.616 ( 0.000 -5.114 2.799) 5.830 10.167 ( 0.000 -16.758 5.380) 17.601 10.285 ( 0.000 15.634 -0.166) 15.635 10.587 ( 0.000 9.737 -5.643) 11.253 11.171 ( 0.000 -4.417 6.722) 8.043 11.262 ( 0.000 -13.300 2.245) 13.488 11.465 ( 0.000 14.630 8.417) 16.879 11.635 ( 0.000 11.046 1.207) 11.112 12.033 ( 0.000 -11.907 9.613) 15.303 12.107 ( 0.000 -14.432 -0.769) 14.453 12.552 ( 0.000 0.850 -2.425) 2.570 12.729 ( 0.000 -6.744 -10.415) 12.408 12.989 ( 0.000 -14.421 1.505) 14.499 13.184 ( 0.000 -19.998 0.319) 20.001 13.922 ( 0.000 4.938 2.897) 5.725 13.983 ( 0.000 10.202 1.735) 10.349 14.045 ( 0.000 -0.034 -0.101) 0.107 14.209 ( 0.000 7.887 3.206) 8.513 14.293 ( 0.000 -5.684 0.740) 5.732 14.566 ( 0.000 -8.012 6.485) 10.308 15.176 ( 0.000 9.516 2.734) 9.901 15.338 ( 0.000 19.266 -3.564) 19.593 15.509 ( 0.000 -5.220 -1.078) 5.331 15.762 ( 0.000 14.453 -5.629) 15.510 15.884 ( 0.000 -6.932 -4.207) 8.108 16.285 ( 0.000 -6.368 -3.123) 7.092 16.568 ( 0.000 9.753 1.095) 9.814 16.705 ( 0.000 8.028 -4.267) 9.092 17.329 ( 0.000 2.216 2.752) 3.534 17.437 ( 0.000 3.477 -0.665) 3.540 17.758 ( 0.000 2.938 -2.067) 3.593 17.933 ( 0.000 13.216 -0.611) 13.230 18.098 ( 0.000 -15.098 -2.648) 15.328 18.622 ( 0.000 -18.297 -1.881) 18.394 20.864 ( 0.000 5.140 1.805) 5.448 20.981 ( 0.000 -0.053 -4.611) 4.612 21.927 ( 0.000 11.882 3.222) 12.311 22.221 ( 0.000 4.747 -0.988) 4.849 22.442 ( 0.000 -5.979 -0.648) 6.014 22.475 ( 0.000 -4.108 2.778) 4.959 22.886 ( 0.000 -5.116 3.581) 6.245 23.255 ( 0.000 -13.299 -10.030) 16.657 ======================= Grid point 433 (142/150) ======================= q-point: ( 0.12 0.38 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.058 ( 31.238 11.328 5.471) 33.675 4.501 ( 6.192 0.989 9.266) 11.188 4.896 ( 23.655 -17.540 8.400) 30.623 5.175 ( 7.813 -13.773 8.892) 18.160 5.985 ( -1.191 8.561 -5.351) 10.166 6.124 ( -1.353 2.937 -12.065) 12.490 6.529 ( -3.783 -1.843 1.505) 4.469 6.658 ( -2.915 -6.428 -0.981) 7.126 7.039 ( 0.806 22.551 -1.332) 22.605 7.515 ( -8.735 25.705 -1.263) 27.178 7.837 ( 3.755 5.866 2.854) 7.526 8.132 ( -4.265 -1.550 1.424) 4.756 8.223 ( 2.592 -16.748 0.990) 16.977 8.458 ( 9.544 -13.513 -0.277) 16.546 8.626 ( -2.661 8.846 -6.997) 11.588 8.979 ( -5.490 7.982 -1.657) 9.828 9.010 ( -1.231 4.155 -3.011) 5.277 9.173 ( -5.297 2.351 -7.629) 9.580 9.658 ( 4.184 -0.471 3.170) 5.270 10.055 ( -7.854 -10.590 4.713) 14.002 10.326 ( 2.704 12.291 -1.433) 12.667 10.712 ( 10.245 6.151 -2.021) 12.119 11.126 ( -8.038 -8.420 4.883) 12.623 11.155 ( -3.939 -3.425 3.067) 6.054 11.523 ( 4.730 7.623 7.820) 11.901 11.630 ( -0.456 10.571 1.344) 10.666 11.916 ( -12.719 -13.356 1.017) 18.471 12.115 ( 2.357 -9.097 6.486) 11.418 12.596 ( 2.325 0.064 -1.172) 2.604 12.685 ( -0.834 -7.618 -7.535) 10.747 13.110 ( 9.050 -11.718 -1.085) 14.845 13.186 ( 1.229 -13.378 0.564) 13.446 13.850 ( -9.970 6.717 5.260) 13.122 13.976 ( -8.097 0.581 1.627) 8.279 14.053 ( 7.909 6.068 -0.227) 9.971 14.276 ( 4.381 5.943 3.741) 8.277 14.337 ( 8.168 -6.041 -0.444) 10.169 14.574 ( 0.850 -7.244 4.420) 8.529 15.196 ( 1.088 11.378 3.891) 12.074 15.314 ( -0.014 15.090 1.214) 15.139 15.567 ( 3.536 -4.263 -8.143) 9.848 15.799 ( 3.274 12.105 -2.213) 12.733 15.861 ( -1.231 -4.858 -6.258) 8.017 16.290 ( -0.574 -4.505 -2.567) 5.217 16.594 ( 2.352 7.957 3.371) 8.956 16.700 ( 0.776 6.570 -5.776) 8.783 17.279 ( -4.853 2.288 2.293) 5.834 17.390 ( -4.522 3.319 -0.810) 5.668 17.714 ( -4.345 2.150 -1.845) 5.186 17.783 ( -12.998 9.297 -1.870) 16.090 18.078 ( -3.045 -10.082 -2.237) 10.767 18.528 ( -8.880 -17.843 -1.829) 20.014 20.955 ( 8.442 5.315 1.213) 10.049 21.083 ( 9.699 -0.178 -3.513) 10.317 21.837 ( -6.580 6.977 2.185) 9.836 22.047 ( -12.356 -1.098 0.617) 12.420 22.519 ( 3.799 3.838 5.105) 7.431 22.642 ( 12.333 -0.828 -4.066) 13.013 22.908 ( 1.808 -7.619 7.226) 10.656 23.214 ( -3.082 -13.053 -13.404) 18.962 ======================= Grid point 434 (143/150) ======================= q-point: ( 0.25 0.38 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.711 ( 18.870 15.245 13.636) 27.828 4.808 ( 33.109 10.374 4.706) 35.014 5.385 ( 23.373 -11.474 13.570) 29.361 5.477 ( 21.710 -15.220 2.239) 26.607 5.969 ( 0.218 5.176 -6.164) 8.052 6.134 ( 5.005 -2.628 -10.807) 12.197 6.394 ( -9.484 4.556 -2.928) 10.921 6.543 ( -9.027 -1.772 0.911) 9.244 7.072 ( 2.398 18.242 4.421) 18.923 7.373 ( -4.700 25.941 -4.388) 26.726 7.877 ( 0.142 -5.504 6.829) 8.773 8.071 ( -1.564 -2.941 -2.593) 4.221 8.301 ( 4.726 -8.477 1.535) 9.826 8.523 ( -6.359 -0.007 -5.057) 8.125 8.660 ( 7.876 -15.426 -2.996) 17.578 8.733 ( -15.173 -9.201 -8.539) 19.692 8.924 ( -9.568 6.517 0.916) 11.613 9.107 ( -3.013 1.822 -7.550) 8.331 9.774 ( 7.037 1.355 2.666) 7.646 9.930 ( -3.728 -5.845 3.780) 7.896 10.370 ( 1.567 10.203 -0.760) 10.351 10.931 ( -7.802 -11.270 1.837) 13.830 10.940 ( 11.155 8.819 4.196) 14.826 11.134 ( -0.048 4.678 0.360) 4.692 11.499 ( -16.956 -5.987 6.235) 19.032 11.627 ( -2.246 7.476 -0.448) 7.818 11.719 ( 7.433 -2.551 -0.679) 7.888 12.186 ( 4.972 -6.748 7.273) 11.098 12.635 ( 3.719 2.625 -1.422) 4.769 12.746 ( 4.951 -6.383 -1.515) 8.219 13.228 ( 1.787 -4.134 1.192) 4.659 13.269 ( 5.672 -7.957 -1.127) 9.837 13.566 ( -17.661 6.527 4.158) 19.282 13.706 ( -17.010 -0.536 0.954) 17.045 14.268 ( 11.026 4.703 3.772) 12.566 14.344 ( 4.486 2.113 2.948) 5.769 14.578 ( 10.142 -4.245 1.931) 11.163 14.618 ( 5.961 -5.533 -0.572) 8.153 15.190 ( -0.616 15.923 3.815) 16.385 15.392 ( 6.537 8.697 6.223) 12.534 15.602 ( 0.276 -0.475 -11.621) 11.634 15.824 ( 0.200 -9.874 -7.360) 12.317 15.905 ( 3.914 9.068 -3.365) 10.434 16.238 ( -4.429 -4.329 -1.242) 6.317 16.629 ( 2.121 9.606 4.355) 10.758 16.795 ( 7.585 2.833 -4.867) 9.447 17.151 ( -7.402 2.572 0.887) 7.886 17.269 ( -7.231 3.148 -0.867) 7.934 17.480 ( -15.314 8.923 -3.326) 18.033 17.599 ( -7.071 0.534 -1.802) 7.316 17.978 ( -6.329 -8.128 -2.595) 10.623 18.301 ( -12.999 -16.615 -1.935) 21.184 21.158 ( 10.734 5.866 0.747) 12.255 21.332 ( 14.034 -1.169 -1.638) 14.178 21.732 ( -3.120 1.453 1.170) 3.635 21.810 ( -10.552 -2.515 1.344) 10.930 22.506 ( -4.151 9.136 3.810) 10.734 22.842 ( -4.810 -8.838 11.399) 15.205 22.937 ( 10.760 1.727 -6.713) 12.800 23.218 ( 4.216 -11.837 -14.199) 18.961 ======================= Grid point 435 (144/150) ======================= q-point: ( 0.38 0.38 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.096 ( 20.801 18.067 14.786) 31.268 5.330 ( 19.215 10.235 5.759) 22.519 5.686 ( -1.086 8.403 3.364) 9.116 5.840 ( 7.200 15.631 9.706) 19.758 6.008 ( 2.100 -3.047 -8.778) 9.526 6.241 ( -4.731 2.248 0.341) 5.249 6.344 ( 6.648 -9.081 -2.721) 11.579 6.474 ( 19.860 -17.640 -2.334) 26.666 7.133 ( 3.894 16.890 6.938) 18.670 7.321 ( -1.456 20.539 -7.786) 22.014 7.849 ( -2.179 -8.028 12.169) 14.741 8.060 ( -0.859 -11.200 -2.872) 11.594 8.321 ( -12.478 -9.769 -10.450) 18.982 8.370 ( -4.308 -4.314 -3.733) 7.148 8.454 ( -5.914 -10.050 -8.547) 14.458 8.668 ( -8.782 -1.676 -4.603) 10.056 8.831 ( 3.216 -9.878 0.688) 10.411 8.996 ( -6.468 -6.088 -3.997) 9.741 9.903 ( 3.944 -0.471 4.136) 5.735 9.930 ( 4.068 -0.921 1.519) 4.439 10.415 ( 4.613 8.566 0.991) 9.779 10.837 ( -1.799 -8.896 0.969) 9.128 10.982 ( -9.305 4.553 6.468) 12.213 11.062 ( -16.724 -0.473 1.203) 16.774 11.294 ( 11.397 8.050 -4.052) 14.530 11.580 ( -2.306 4.623 -0.052) 5.167 12.032 ( 20.908 -2.243 2.413) 21.166 12.333 ( 10.437 -3.596 5.372) 12.277 12.740 ( 4.220 5.725 2.052) 7.402 12.791 ( -3.990 -5.113 1.314) 6.617 13.193 ( -16.692 7.865 0.514) 18.460 13.202 ( -5.390 3.515 1.511) 6.610 13.316 ( -1.841 -4.177 4.560) 6.452 13.397 ( -9.254 -4.177 -0.749) 10.181 14.417 ( 5.108 1.655 3.134) 6.217 14.460 ( 4.541 0.163 0.989) 4.650 14.703 ( 6.302 0.850 2.787) 6.943 14.781 ( 4.834 -3.575 4.107) 7.281 15.222 ( 4.416 15.189 -0.560) 15.828 15.451 ( -2.801 7.563 1.971) 8.303 15.665 ( 7.597 -0.156 -7.053) 10.367 15.836 ( 0.622 -10.172 -5.247) 11.462 15.964 ( 2.289 -1.003 -5.158) 5.732 16.127 ( -6.344 -6.301 -0.475) 8.954 16.712 ( 5.741 11.241 5.537) 13.783 16.911 ( 1.359 6.553 -2.030) 6.994 17.016 ( -4.872 3.758 -3.265) 6.966 17.099 ( -9.450 7.382 -2.450) 12.239 17.281 ( -2.159 3.573 -3.100) 5.200 17.454 ( -6.954 -1.185 -1.448) 7.202 17.862 ( -4.121 -9.434 -3.354) 10.827 18.043 ( -12.036 -14.918 -2.489) 19.329 21.337 ( 6.558 4.220 1.456) 7.933 21.525 ( -0.501 -3.950 0.796) 4.061 21.709 ( 5.054 0.268 0.620) 5.099 21.740 ( 3.708 -0.623 -0.397) 3.781 22.405 ( -4.412 7.270 3.314) 9.126 22.630 ( -12.656 -3.894 6.534) 14.766 23.171 ( 9.887 -1.122 -6.741) 12.018 23.306 ( 2.984 -7.792 -9.182) 12.407 ======================= Grid point 436 (145/150) ======================= q-point: (-0.50 0.38 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.488 ( -15.651 15.687 15.434) 27.005 5.488 ( 15.651 15.687 15.434) 27.005 5.677 ( -13.602 15.190 1.070) 20.418 5.677 ( 13.602 15.190 1.070) 20.418 6.065 ( -6.666 3.493 -9.423) 12.060 6.065 ( 6.666 3.493 -9.423) 12.060 6.679 ( -7.344 -14.907 8.337) 18.592 6.679 ( 7.344 -14.907 8.337) 18.592 7.251 ( -6.835 15.113 -2.711) 16.807 7.251 ( 6.835 15.113 -2.711) 16.807 7.902 ( -10.802 -12.567 6.854) 17.933 7.902 ( 10.802 -12.567 6.854) 17.933 8.214 ( -4.306 -13.910 -16.838) 22.261 8.214 ( 4.306 -13.910 -16.838) 22.261 8.513 ( -5.866 0.888 -2.173) 6.318 8.513 ( 5.866 0.888 -2.173) 6.318 8.899 ( -3.516 -10.838 -1.544) 11.498 8.899 ( 3.516 -10.838 -1.544) 11.498 9.964 ( -1.763 0.404 2.816) 3.347 9.964 ( 1.763 0.404 2.816) 3.347 10.620 ( -15.951 2.621 3.471) 16.533 10.620 ( 15.951 2.621 3.471) 16.533 10.893 ( -4.682 -2.103 -0.983) 5.226 10.893 ( 4.682 -2.103 -0.983) 5.226 11.498 ( -6.994 7.776 -0.268) 10.462 11.498 ( 6.994 7.776 -0.268) 10.462 12.475 ( -19.379 -5.477 2.705) 20.319 12.475 ( 19.379 -5.477 2.705) 20.319 12.625 ( -12.626 3.375 4.085) 13.693 12.625 ( 12.626 3.375 4.085) 13.693 13.081 ( -4.562 9.250 0.229) 10.317 13.081 ( 4.562 9.250 0.229) 10.317 13.311 ( -2.498 -5.318 2.512) 6.389 13.311 ( 2.498 -5.318 2.512) 6.389 14.488 ( -1.458 0.339 0.447) 1.562 14.488 ( 1.458 0.339 0.447) 1.562 14.798 ( -2.446 0.549 6.109) 6.603 14.798 ( 2.446 0.549 6.109) 6.603 15.343 ( -6.704 11.142 -2.985) 13.342 15.343 ( 6.704 11.142 -2.985) 13.342 15.809 ( -4.711 -6.581 -3.733) 8.913 15.809 ( 4.711 -6.581 -3.733) 8.913 16.017 ( -3.828 -6.021 -2.406) 7.530 16.017 ( 3.828 -6.021 -2.406) 7.530 16.833 ( -6.160 10.253 5.146) 13.021 16.833 ( 6.160 10.253 5.146) 13.021 16.986 ( -1.347 7.896 -7.531) 10.994 16.986 ( 1.347 7.896 -7.531) 10.994 17.335 ( -5.051 -0.761 -1.440) 5.307 17.335 ( 5.051 -0.761 -1.440) 5.307 17.863 ( -4.953 -12.743 -3.350) 14.076 17.863 ( 4.953 -12.743 -3.350) 14.076 21.439 ( -4.751 -0.488 1.819) 5.111 21.439 ( 4.751 -0.488 1.819) 5.111 21.807 ( -0.660 0.094 -0.579) 0.883 21.807 ( 0.660 0.094 -0.579) 0.883 22.414 ( -6.796 1.773 4.350) 8.261 22.414 ( 6.796 1.773 4.350) 8.261 23.305 ( -3.370 -4.072 -7.299) 9.012 23.305 ( 3.370 -4.072 -7.299) 9.012 ======================= Grid point 441 (146/150) ======================= q-point: ( 0.00 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.028 ( 0.000 -19.606 2.429) 19.756 4.028 ( 0.000 19.606 2.429) 19.756 4.805 ( 0.000 -14.268 13.181) 19.425 4.805 ( 0.000 14.268 13.181) 19.425 6.134 ( 0.000 -4.193 -9.256) 10.161 6.134 ( 0.000 4.193 -9.256) 10.161 6.545 ( 0.000 -3.486 1.824) 3.935 6.545 ( 0.000 3.486 1.824) 3.935 7.601 ( 0.000 -28.915 -2.439) 29.017 7.601 ( 0.000 28.915 -2.439) 29.017 7.989 ( 0.000 -17.899 -2.093) 18.021 7.989 ( 0.000 17.899 -2.093) 18.021 8.129 ( 0.000 -8.512 2.755) 8.947 8.129 ( 0.000 8.512 2.755) 8.947 9.002 ( 0.000 -15.791 -4.995) 16.563 9.002 ( 0.000 15.791 -4.995) 16.563 9.126 ( 0.000 -8.887 -4.254) 9.853 9.126 ( 0.000 8.887 -4.254) 9.853 9.799 ( 0.000 -19.028 5.707) 19.866 9.799 ( 0.000 19.028 5.707) 19.866 10.628 ( 0.000 -12.695 -1.734) 12.813 10.628 ( 0.000 12.695 -1.734) 12.813 11.064 ( 0.000 -2.846 5.058) 5.804 11.064 ( 0.000 2.846 5.058) 5.804 11.760 ( 0.000 -15.122 9.853) 18.049 11.760 ( 0.000 15.122 9.853) 18.049 11.873 ( 0.000 -11.657 0.233) 11.659 11.873 ( 0.000 11.657 0.233) 11.659 12.615 ( 0.000 -4.879 -7.352) 8.824 12.615 ( 0.000 4.879 -7.352) 8.824 12.898 ( 0.000 -6.325 0.080) 6.326 12.898 ( 0.000 6.325 0.080) 6.326 14.007 ( 0.000 -3.465 1.933) 3.967 14.007 ( 0.000 3.465 1.933) 3.967 14.159 ( 0.000 -7.932 1.057) 8.003 14.159 ( 0.000 7.932 1.057) 8.003 14.389 ( 0.000 -9.699 4.654) 10.757 14.389 ( 0.000 9.699 4.654) 10.757 15.358 ( 0.000 -8.888 -1.743) 9.057 15.358 ( 0.000 8.888 -1.743) 9.057 15.674 ( 0.000 -14.391 -3.812) 14.887 15.674 ( 0.000 14.391 -3.812) 14.887 16.071 ( 0.000 -14.680 -1.588) 14.766 16.071 ( 0.000 14.680 -1.588) 14.766 16.724 ( 0.000 -5.140 -2.422) 5.682 16.724 ( 0.000 5.140 -2.422) 5.682 17.424 ( 0.000 -4.937 2.948) 5.750 17.424 ( 0.000 4.937 2.948) 5.750 17.856 ( 0.000 -8.459 -3.028) 8.984 17.856 ( 0.000 8.459 -3.028) 8.984 18.253 ( 0.000 -18.586 -1.792) 18.672 18.253 ( 0.000 18.586 -1.792) 18.672 20.951 ( 0.000 -3.199 -1.907) 3.724 20.951 ( 0.000 3.199 -1.907) 3.724 22.211 ( 0.000 -16.703 5.943) 17.729 22.211 ( 0.000 16.703 5.943) 17.729 22.325 ( 0.000 -5.813 -0.818) 5.871 22.325 ( 0.000 5.813 -0.818) 5.871 23.004 ( 0.000 -11.777 -5.970) 13.203 23.004 ( 0.000 11.777 -5.970) 13.203 ======================= Grid point 443 (147/150) ======================= q-point: ( 0.12 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.333 ( 28.745 -15.687 2.868) 32.872 4.333 ( 28.745 15.687 2.868) 32.872 4.880 ( 7.494 -12.930 12.900) 19.742 4.880 ( 7.494 12.930 12.900) 19.742 6.115 ( -1.592 -3.940 -9.011) 9.963 6.115 ( -1.592 3.940 -9.011) 9.963 6.539 ( -1.165 -3.806 0.947) 4.092 6.539 ( -1.165 3.806 0.947) 4.092 7.572 ( -2.193 -27.631 0.282) 27.720 7.572 ( -2.193 27.631 0.282) 27.720 7.944 ( -3.924 -17.270 -1.292) 17.757 7.944 ( -3.924 17.270 -1.292) 17.757 8.212 ( 6.966 -10.898 0.868) 12.963 8.212 ( 6.966 10.898 0.868) 12.963 8.838 ( -11.734 -11.700 -7.521) 18.197 8.838 ( -11.734 11.700 -7.521) 18.197 9.175 ( -0.340 -5.080 -2.426) 5.640 9.175 ( -0.340 5.080 -2.426) 5.640 9.795 ( 0.298 -13.040 4.726) 13.873 9.795 ( 0.298 13.040 4.726) 13.873 10.646 ( 0.601 -16.471 -0.818) 16.502 10.646 ( 0.601 16.471 -0.818) 16.502 11.048 ( 0.562 -6.861 4.466) 8.206 11.048 ( 0.562 6.861 4.466) 8.206 11.702 ( -6.672 -9.553 5.857) 13.041 11.702 ( -6.672 9.553 5.857) 13.041 11.875 ( 1.183 -13.994 2.669) 14.296 11.875 ( 1.183 13.994 2.669) 14.296 12.619 ( 1.416 -1.132 -4.514) 4.865 12.619 ( 1.416 1.132 -4.514) 4.865 13.000 ( 8.671 -2.295 -1.031) 9.029 13.000 ( 8.671 2.295 -1.031) 9.029 13.948 ( -9.183 -3.295 4.184) 10.616 13.948 ( -9.183 3.295 4.184) 10.616 14.196 ( 6.630 -7.584 0.177) 10.075 14.196 ( 6.630 7.584 0.177) 10.075 14.422 ( 3.191 -7.935 2.981) 9.057 14.422 ( 3.191 7.935 2.981) 9.057 15.384 ( 2.399 -7.588 1.162) 8.043 15.384 ( 2.399 7.588 1.162) 8.043 15.655 ( -1.428 -12.174 -6.515) 13.881 15.655 ( -1.428 12.174 -6.515) 13.881 16.102 ( 1.934 -13.653 -1.569) 13.878 16.102 ( 1.934 13.653 -1.569) 13.878 16.718 ( 0.143 -4.067 -1.831) 4.462 16.718 ( 0.143 4.067 -1.831) 4.462 17.374 ( -4.786 -5.032 2.644) 7.431 17.374 ( -4.786 5.032 2.644) 7.431 17.783 ( -7.081 -5.537 -2.929) 9.454 17.783 ( -7.081 5.537 -2.929) 9.454 18.177 ( -7.073 -16.557 -2.308) 18.152 18.177 ( -7.073 16.557 -2.308) 18.152 21.048 ( 9.109 -3.533 -1.577) 9.897 21.048 ( 9.109 3.533 -1.577) 9.897 21.976 ( -12.765 -6.251 2.506) 14.433 21.976 ( -12.765 6.251 2.506) 14.433 22.568 ( 12.643 -3.943 5.309) 14.268 22.568 ( 12.643 3.943 5.309) 14.268 22.976 ( -1.881 -10.615 -8.786) 13.907 22.976 ( -1.881 10.615 -8.786) 13.907 ======================= Grid point 445 (148/150) ======================= q-point: ( 0.25 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.053 ( 36.387 -8.268 7.724) 38.106 5.053 ( 36.387 8.268 7.724) 38.106 5.104 ( 18.434 -10.825 8.709) 23.084 5.104 ( 18.434 10.826 8.709) 23.084 6.090 ( -0.362 -4.276 -8.131) 9.194 6.090 ( -0.362 4.276 -8.131) 9.194 6.467 ( -6.745 -4.318 -1.132) 8.088 6.467 ( -6.745 4.318 -1.132) 8.088 7.536 ( -1.253 -24.569 6.397) 25.419 7.536 ( -1.253 24.569 6.397) 25.419 7.857 ( -4.246 -18.804 -1.918) 19.372 7.857 ( -4.246 18.804 -1.918) 19.372 8.354 ( 5.801 -12.460 -2.597) 13.988 8.354 ( 5.801 12.460 -2.597) 13.988 8.583 ( -13.321 -4.863 -8.899) 16.742 8.583 ( -13.321 4.863 -8.899) 16.742 9.066 ( -9.730 -5.896 -2.086) 11.567 9.066 ( -9.730 5.896 -2.086) 11.567 9.829 ( 3.086 -3.969 3.867) 6.343 9.829 ( 3.086 3.969 3.867) 6.343 10.625 ( -1.859 -15.607 0.146) 15.718 10.625 ( -1.859 15.607 0.146) 15.718 11.136 ( 5.799 -6.088 4.968) 9.766 11.136 ( 5.799 6.088 4.968) 9.766 11.507 ( -10.105 -7.548 -0.723) 12.634 11.507 ( -10.105 7.548 -0.723) 12.634 11.945 ( 6.224 -15.854 4.692) 17.666 11.945 ( 6.224 15.854 4.692) 17.666 12.695 ( 5.816 -2.165 -0.445) 6.222 12.695 ( 5.816 2.165 -0.445) 6.222 13.170 ( 6.864 -0.970 -1.051) 7.012 13.170 ( 6.864 0.970 -1.051) 7.012 13.669 ( -17.453 -3.584 3.630) 18.183 13.669 ( -17.453 3.584 3.630) 18.183 14.349 ( 6.396 -2.548 3.409) 7.683 14.349 ( 6.396 2.548 3.409) 7.683 14.541 ( 9.249 -1.460 -0.142) 9.365 14.541 ( 9.249 1.460 -0.142) 9.365 15.440 ( 2.840 -7.446 5.846) 9.884 15.440 ( 2.840 7.446 5.846) 9.884 15.641 ( 0.400 -7.228 -10.900) 13.084 15.641 ( 0.400 7.228 -10.900) 13.084 16.094 ( -3.213 -9.489 -2.196) 10.256 16.094 ( -3.213 9.489 -2.196) 10.256 16.767 ( 5.202 -4.761 -0.135) 7.053 16.767 ( 5.202 4.761 -0.135) 7.053 17.250 ( -7.096 -5.185 1.839) 8.979 17.250 ( -7.096 5.185 1.839) 8.979 17.596 ( -10.824 -2.216 -2.787) 11.394 17.596 ( -10.824 2.216 -2.787) 11.394 18.002 ( -9.864 -11.499 -3.624) 15.578 18.002 ( -9.864 11.499 -3.624) 15.578 21.272 ( 11.914 -4.965 -0.648) 12.923 21.272 ( 11.914 4.965 -0.648) 12.923 21.764 ( -7.761 -2.018 1.799) 8.218 21.764 ( -7.761 2.018 1.799) 8.218 22.674 ( -3.474 -8.313 8.903) 12.666 22.674 ( -3.474 8.313 8.903) 12.666 23.026 ( 8.022 -7.435 -12.204) 16.388 23.026 ( 8.022 7.435 -12.204) 16.388 ======================= Grid point 447 (149/150) ======================= q-point: ( 0.38 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.413 ( 17.101 -8.158 13.055) 23.009 5.413 ( 17.101 8.158 13.055) 23.009 5.767 ( 21.742 -6.471 1.004) 22.707 5.767 ( 21.742 6.471 1.004) 22.707 6.150 ( 4.224 -10.438 4.304) 12.055 6.150 ( 4.224 10.438 4.304) 12.055 6.297 ( -2.827 -2.055 -9.532) 10.153 6.297 ( -2.827 2.055 -9.532) 10.153 7.512 ( -1.779 -17.433 13.988) 22.422 7.512 ( -1.779 17.433 13.988) 22.422 7.793 ( -1.867 -15.952 -5.506) 16.979 7.793 ( -1.867 15.952 -5.506) 16.979 8.236 ( -15.999 -2.389 -15.467) 22.381 8.236 ( -15.999 2.389 -15.467) 22.381 8.485 ( 2.406 -9.243 -1.813) 9.722 8.485 ( 2.406 9.243 -1.813) 9.722 8.867 ( -8.098 -6.621 -1.982) 10.647 8.867 ( -8.098 6.621 -1.982) 10.647 9.912 ( 4.742 -1.025 4.478) 6.602 9.912 ( 4.742 1.025 4.478) 6.602 10.609 ( 0.695 -11.512 0.339) 11.538 10.609 ( 0.695 11.512 0.339) 11.538 11.043 ( -12.970 -1.739 1.803) 13.210 11.043 ( -12.970 1.739 1.803) 13.210 11.511 ( 7.555 -10.703 -0.640) 13.116 11.511 ( 7.555 10.703 -0.640) 13.116 12.142 ( 14.010 -12.225 4.304) 19.086 12.142 ( 14.010 12.225 4.304) 19.086 12.787 ( 0.103 -1.718 2.972) 3.435 12.787 ( 0.103 1.718 2.972) 3.435 13.238 ( -0.857 -1.793 0.750) 2.124 13.238 ( -0.857 1.793 0.750) 2.124 13.325 ( -12.919 -4.607 1.575) 13.806 13.325 ( -12.919 4.607 1.575) 13.806 14.448 ( 3.881 -1.261 1.498) 4.347 14.448 ( 3.881 1.261 1.498) 4.347 14.725 ( 7.131 -1.831 3.350) 8.088 14.725 ( 7.131 1.831 3.350) 8.088 15.497 ( 3.157 -10.093 2.219) 10.805 15.497 ( 3.157 10.093 2.219) 10.805 15.662 ( 0.956 -5.995 -8.541) 10.479 15.662 ( 0.956 5.995 -8.541) 10.479 16.002 ( -4.653 -5.169 -2.497) 7.389 16.002 ( -4.653 5.169 -2.497) 7.389 16.897 ( 6.495 -6.965 1.259) 9.606 16.897 ( 6.495 6.965 1.259) 9.606 17.119 ( -5.537 -5.185 1.765) 7.788 17.119 ( -5.537 5.185 1.765) 7.788 17.400 ( -7.469 -5.550 -3.305) 9.875 17.400 ( -7.469 5.550 -3.305) 9.875 17.810 ( -8.578 -6.108 -5.383) 11.826 17.810 ( -8.578 6.108 -5.383) 11.826 21.432 ( 2.288 -5.183 1.520) 5.866 21.432 ( 2.288 5.183 1.520) 5.866 21.723 ( 4.566 -0.941 0.015) 4.662 21.723 ( 4.566 0.941 0.015) 4.662 22.533 ( -8.224 -5.822 5.459) 11.460 22.533 ( -8.224 5.822 5.459) 11.460 23.193 ( 6.793 -3.519 -8.830) 11.683 23.193 ( 6.793 3.519 -8.830) 11.683 ======================= Grid point 449 (150/150) ======================= q-point: (-0.50 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.658 ( 0.000 0.000 15.417) 15.417 5.658 ( 0.000 0.000 15.417) 15.417 5.949 ( -0.000 -0.000 3.591) 3.591 5.949 ( -0.000 0.000 3.591) 3.591 5.984 ( 0.000 -0.000 -8.931) 8.931 5.984 ( 0.000 0.000 -8.931) 8.931 6.507 ( -0.000 -0.000 1.516) 1.516 6.507 ( -0.000 0.000 1.516) 1.516 7.472 ( 0.000 -0.000 18.995) 18.995 7.472 ( 0.000 -0.000 18.995) 18.995 7.781 ( 0.000 0.000 -9.474) 9.474 7.781 ( 0.000 0.000 -9.474) 9.474 8.023 ( -0.000 0.000 -18.582) 18.582 8.023 ( 0.000 0.000 -18.582) 18.582 8.511 ( 0.000 -0.000 -3.438) 3.438 8.511 ( 0.000 0.000 -3.438) 3.438 8.785 ( 0.000 -0.000 -1.049) 1.049 8.785 ( -0.000 0.000 -1.049) 1.049 9.972 ( 0.000 0.000 5.090) 5.090 9.972 ( 0.000 0.000 5.090) 5.090 10.640 ( 0.000 0.000 2.118) 2.118 10.640 ( 0.000 0.000 2.118) 2.118 10.863 ( -0.000 0.000 -2.440) 2.440 10.863 ( 0.000 0.000 -2.440) 2.440 11.600 ( 0.000 0.000 0.874) 0.874 11.600 ( -0.000 -0.000 0.874) 0.874 12.404 ( -0.000 0.000 2.471) 2.471 12.404 ( 0.000 0.000 2.471) 2.471 12.657 ( -0.000 0.000 6.059) 6.059 12.657 ( 0.000 0.000 6.059) 6.059 13.194 ( 0.000 -0.000 0.923) 0.923 13.194 ( -0.000 0.000 0.923) 0.923 13.243 ( 0.000 -0.000 0.875) 0.875 13.243 ( 0.000 0.000 0.875) 0.875 14.491 ( 0.000 0.000 -0.235) 0.235 14.491 ( 0.000 0.000 -0.235) 0.235 14.795 ( -0.000 0.000 6.345) 6.345 14.795 ( 0.000 0.000 6.345) 6.345 15.542 ( 0.000 0.000 -2.903) 2.903 15.542 ( 0.000 0.000 -2.903) 2.903 15.666 ( -0.000 -0.000 -4.618) 4.618 15.666 ( 0.000 0.000 -4.618) 4.618 15.951 ( -0.000 0.000 -2.532) 2.532 15.951 ( 0.000 0.000 -2.532) 2.532 16.981 ( 0.000 -0.000 -0.361) 0.361 16.981 ( 0.000 0.000 -0.361) 0.361 17.044 ( -0.000 -0.000 4.486) 4.486 17.044 ( -0.000 0.000 4.486) 4.486 17.331 ( 0.000 0.000 -3.657) 3.657 17.331 ( 0.000 0.000 -3.657) 3.657 17.710 ( 0.000 -0.000 -6.735) 6.735 17.710 ( 0.000 0.000 -6.735) 6.735 21.434 ( 0.000 0.000 2.294) 2.294 21.434 ( 0.000 0.000 2.294) 2.294 21.809 ( 0.000 0.000 -0.747) 0.747 21.809 ( 0.000 0.000 -0.747) 0.747 22.430 ( 0.000 0.000 4.762) 4.762 22.430 ( 0.000 0.000 4.762) 4.762 23.264 ( 0.000 0.000 -8.031) 8.031 23.264 ( 0.000 0.000 -8.031) 8.031 =================== 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 3/42240 10.0 5691.251 3233.260 3410.017 0.000 0.000 0.000 3/42240 20.0 2781.468 2376.416 3740.117 0.000 0.000 0.000 3/42240 30.0 1400.475 1077.947 1615.253 0.000 0.000 0.000 3/42240 40.0 738.382 522.452 770.301 0.000 0.000 0.000 3/42240 50.0 413.549 281.064 400.057 0.000 0.000 0.000 3/42240 60.0 250.045 167.505 229.656 0.000 0.000 0.000 3/42240 70.0 162.475 108.889 144.232 0.000 0.000 0.000 3/42240 80.0 112.445 75.923 97.607 0.000 0.000 0.000 3/42240 90.0 82.070 55.974 70.187 0.000 0.000 0.000 3/42240 100.0 62.599 43.146 53.004 0.000 0.000 0.000 3/42240 110.0 49.516 34.470 41.648 0.000 0.000 0.000 3/42240 120.0 40.362 28.352 33.797 0.000 0.000 0.000 3/42240 130.0 33.731 23.884 28.160 0.000 0.000 0.000 3/42240 140.0 28.780 20.523 23.980 0.000 0.000 0.000 3/42240 150.0 24.988 17.928 20.793 0.000 0.000 0.000 3/42240 160.0 22.016 15.881 18.305 0.000 0.000 0.000 3/42240 170.0 19.641 14.235 16.322 0.000 0.000 0.000 3/42240 180.0 17.710 12.888 14.713 0.000 0.000 0.000 3/42240 190.0 16.116 11.770 13.386 0.000 0.000 0.000 3/42240 200.0 14.782 10.830 12.277 0.000 0.000 0.000 3/42240 210.0 13.651 10.030 11.337 0.000 0.000 0.000 3/42240 220.0 12.683 9.341 10.533 0.000 0.000 0.000 3/42240 230.0 11.845 8.743 9.837 0.000 0.000 0.000 3/42240 240.0 11.114 8.220 9.231 0.000 0.000 0.000 3/42240 250.0 10.471 7.758 8.697 0.000 0.000 0.000 3/42240 260.0 9.902 7.347 8.224 0.000 0.000 0.000 3/42240 270.0 9.394 6.980 7.802 0.000 0.000 0.000 3/42240 280.0 8.938 6.649 7.424 0.000 0.000 0.000 3/42240 290.0 8.526 6.350 7.082 0.000 0.000 0.000 3/42240 300.0 8.153 6.079 6.772 0.000 0.000 0.000 3/42240 310.0 7.813 5.831 6.490 0.000 0.000 0.000 3/42240 320.0 7.502 5.603 6.232 0.000 0.000 0.000 3/42240 330.0 7.217 5.394 5.994 0.000 0.000 0.000 3/42240 340.0 6.953 5.200 5.775 0.000 0.000 0.000 3/42240 350.0 6.710 5.021 5.573 0.000 0.000 0.000 3/42240 360.0 6.483 4.855 5.385 0.000 0.000 0.000 3/42240 370.0 6.273 4.700 5.210 0.000 0.000 0.000 3/42240 380.0 6.077 4.555 5.047 0.000 0.000 0.000 3/42240 390.0 5.893 4.419 4.894 0.000 0.000 0.000 3/42240 400.0 5.721 4.291 4.751 0.000 0.000 0.000 3/42240 410.0 5.559 4.171 4.616 0.000 0.000 0.000 3/42240 420.0 5.406 4.058 4.490 0.000 0.000 0.000 3/42240 430.0 5.262 3.952 4.370 0.000 0.000 0.000 3/42240 440.0 5.126 3.851 4.257 0.000 0.000 0.000 3/42240 450.0 4.998 3.755 4.150 0.000 0.000 0.000 3/42240 460.0 4.876 3.664 4.049 0.000 0.000 0.000 3/42240 470.0 4.760 3.578 3.952 0.000 0.000 0.000 3/42240 480.0 4.649 3.495 3.860 0.000 0.000 0.000 3/42240 490.0 4.544 3.417 3.773 0.000 0.000 0.000 3/42240 500.0 4.444 3.342 3.690 0.000 0.000 0.000 3/42240 510.0 4.348 3.271 3.610 0.000 0.000 0.000 3/42240 520.0 4.257 3.203 3.534 0.000 0.000 0.000 3/42240 530.0 4.169 3.137 3.461 0.000 0.000 0.000 3/42240 540.0 4.085 3.075 3.392 0.000 0.000 0.000 3/42240 550.0 4.005 3.014 3.325 0.000 0.000 0.000 3/42240 560.0 3.928 2.957 3.261 0.000 0.000 0.000 3/42240 570.0 3.854 2.901 3.199 0.000 0.000 0.000 3/42240 580.0 3.782 2.848 3.140 0.000 0.000 0.000 3/42240 590.0 3.714 2.797 3.083 0.000 0.000 0.000 3/42240 600.0 3.647 2.747 3.028 0.000 0.000 0.000 3/42240 610.0 3.584 2.699 2.975 0.000 0.000 0.000 3/42240 620.0 3.522 2.653 2.924 0.000 0.000 0.000 3/42240 630.0 3.463 2.609 2.875 0.000 0.000 0.000 3/42240 640.0 3.406 2.566 2.827 0.000 0.000 0.000 3/42240 650.0 3.350 2.524 2.781 0.000 0.000 0.000 3/42240 660.0 3.297 2.484 2.737 0.000 0.000 0.000 3/42240 670.0 3.245 2.445 2.694 0.000 0.000 0.000 3/42240 680.0 3.195 2.408 2.652 0.000 0.000 0.000 3/42240 690.0 3.146 2.371 2.612 0.000 0.000 0.000 3/42240 700.0 3.099 2.336 2.572 0.000 0.000 0.000 3/42240 710.0 3.054 2.302 2.534 0.000 0.000 0.000 3/42240 720.0 3.009 2.268 2.498 0.000 0.000 0.000 3/42240 730.0 2.966 2.236 2.462 0.000 0.000 0.000 3/42240 740.0 2.925 2.205 2.427 0.000 0.000 0.000 3/42240 750.0 2.884 2.174 2.394 0.000 0.000 0.000 3/42240 760.0 2.844 2.145 2.361 0.000 0.000 0.000 3/42240 770.0 2.806 2.116 2.329 0.000 0.000 0.000 3/42240 780.0 2.769 2.088 2.298 0.000 0.000 0.000 3/42240 790.0 2.732 2.060 2.268 0.000 0.000 0.000 3/42240 800.0 2.697 2.034 2.238 0.000 0.000 0.000 3/42240 810.0 2.663 2.008 2.210 0.000 0.000 0.000 3/42240 820.0 2.629 1.983 2.182 0.000 0.000 0.000 3/42240 830.0 2.596 1.958 2.155 0.000 0.000 0.000 3/42240 840.0 2.565 1.934 2.128 0.000 0.000 0.000 3/42240 850.0 2.533 1.911 2.103 0.000 0.000 0.000 3/42240 860.0 2.503 1.888 2.077 0.000 0.000 0.000 3/42240 870.0 2.474 1.866 2.053 0.000 0.000 0.000 3/42240 880.0 2.445 1.844 2.029 0.000 0.000 0.000 3/42240 890.0 2.416 1.823 2.005 0.000 0.000 0.000 3/42240 900.0 2.389 1.802 1.982 0.000 0.000 0.000 3/42240 910.0 2.362 1.782 1.960 0.000 0.000 0.000 3/42240 920.0 2.336 1.762 1.938 0.000 0.000 0.000 3/42240 930.0 2.310 1.743 1.917 0.000 0.000 0.000 3/42240 940.0 2.285 1.724 1.896 0.000 0.000 0.000 3/42240 950.0 2.260 1.705 1.876 0.000 0.000 0.000 3/42240 960.0 2.236 1.687 1.856 0.000 0.000 0.000 3/42240 970.0 2.212 1.669 1.836 0.000 0.000 0.000 3/42240 980.0 2.189 1.652 1.817 0.000 0.000 0.000 3/42240 990.0 2.167 1.635 1.798 0.000 0.000 0.000 3/42240 1000.0 2.145 1.618 1.780 0.000 0.000 0.000 3/42240 Thermal conductivity related properties were written into "kappa-m8811.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:28:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|