----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:34:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnna (52) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.214302100000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.907842880000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.521330040000000 Atomic positions (fractional): *1 Li 0.75000000000000 0.00000000000000 0.69457374564113 6.941 2 Li 0.75000000000000 0.50000000000000 0.80542625435887 6.941 3 Li 0.25000000000000 0.00000000000000 0.30542625435887 6.941 4 Li 0.25000000000000 0.50000000000000 0.19457374564113 6.941 *5 O 0.57618026524476 0.70787010362811 0.58202819790711 15.999 6 O 0.57618026524476 0.79212989637189 0.91797180209289 15.999 7 O 0.92381973475524 0.29212989637189 0.58202819790711 15.999 *8 O 0.41201324424774 0.25000000000000 0.75000000000000 15.999 9 O 0.58798675575226 0.75000000000000 0.25000000000000 15.999 10 O 0.91201324424774 0.25000000000000 0.25000000000000 15.999 11 O 0.07618026524476 0.79212989637189 0.08202819790711 15.999 12 O 0.08798675575226 0.75000000000000 0.75000000000000 15.999 13 O 0.42381973475524 0.20787010362811 0.08202819790711 15.999 14 O 0.42381973475524 0.29212989637189 0.41797180209289 15.999 15 O 0.07618026524476 0.70787010362811 0.41797180209289 15.999 16 O 0.92381973475524 0.20787010362811 0.91797180209289 15.999 *17 Sb 0.75000000000000 0.00000000000000 0.09452643585598 121.760 18 Sb 0.25000000000000 0.50000000000000 0.59452643585598 121.760 19 Sb 0.25000000000000 0.00000000000000 0.90547356414402 121.760 20 Sb 0.75000000000000 0.50000000000000 0.40547356414402 121.760 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.214302100000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.907842880000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.521330040000000 Atomic positions (fractional): *1 Li 0.75000000000000 0.00000000000000 0.69457374564113 6.941 > 1 2 Li 0.75000000000000 0.50000000000000 0.80542625435887 6.941 > 2 3 Li 0.25000000000000 0.00000000000000 0.30542625435887 6.941 > 3 4 Li 0.25000000000000 0.50000000000000 0.19457374564113 6.941 > 4 *5 O 0.57618026524476 0.70787010362811 0.58202819790711 15.999 > 5 6 O 0.57618026524476 0.79212989637189 0.91797180209289 15.999 > 6 7 O 0.92381973475524 0.29212989637189 0.58202819790711 15.999 > 7 *8 O 0.41201324424774 0.25000000000000 0.75000000000000 15.999 > 8 9 O 0.58798675575226 0.75000000000000 0.25000000000000 15.999 > 9 10 O 0.91201324424774 0.25000000000000 0.25000000000000 15.999 > 10 11 O 0.07618026524476 0.79212989637189 0.08202819790711 15.999 > 11 12 O 0.08798675575226 0.75000000000000 0.75000000000000 15.999 > 12 13 O 0.42381973475524 0.20787010362811 0.08202819790711 15.999 > 13 14 O 0.42381973475524 0.29212989637189 0.41797180209289 15.999 > 14 15 O 0.07618026524476 0.70787010362811 0.41797180209289 15.999 > 15 16 O 0.92381973475524 0.20787010362811 0.91797180209289 15.999 > 16 *17 Sb 0.75000000000000 0.00000000000000 0.09452643585598 121.760 > 17 18 Sb 0.25000000000000 0.50000000000000 0.59452643585598 121.760 > 18 19 Sb 0.25000000000000 0.00000000000000 0.90547356414402 121.760 > 19 20 Sb 0.75000000000000 0.50000000000000 0.40547356414402 121.760 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.428604200000001 0.000000000000000 0.000000000000000 b 0.000000000000000 9.815685759999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.521330040000000 Atomic positions (fractional): *1 Li 0.37500000000000 0.00000000000000 0.69457374564113 6.941 > 1 2 Li 0.87500000000000 0.00000000000000 0.69457374564113 6.941 > 1 3 Li 0.37500000000000 0.50000000000000 0.69457374564113 6.941 > 1 4 Li 0.87500000000000 0.50000000000000 0.69457374564113 6.941 > 1 5 Li 0.37500000000000 0.25000000000000 0.80542625435887 6.941 > 2 6 Li 0.87500000000000 0.25000000000000 0.80542625435887 6.941 > 2 7 Li 0.37500000000000 0.75000000000000 0.80542625435887 6.941 > 2 8 Li 0.87500000000000 0.75000000000000 0.80542625435887 6.941 > 2 9 Li 0.12500000000000 0.00000000000000 0.30542625435887 6.941 > 3 10 Li 0.62500000000000 0.00000000000000 0.30542625435887 6.941 > 3 11 Li 0.12500000000000 0.50000000000000 0.30542625435887 6.941 > 3 12 Li 0.62500000000000 0.50000000000000 0.30542625435887 6.941 > 3 13 Li 0.12500000000000 0.25000000000000 0.19457374564113 6.941 > 4 14 Li 0.62500000000000 0.25000000000000 0.19457374564113 6.941 > 4 15 Li 0.12500000000000 0.75000000000000 0.19457374564113 6.941 > 4 16 Li 0.62500000000000 0.75000000000000 0.19457374564113 6.941 > 4 *17 O 0.28809013262238 0.35393505181405 0.58202819790711 15.999 > 5 18 O 0.78809013262238 0.35393505181405 0.58202819790711 15.999 > 5 19 O 0.28809013262238 0.85393505181405 0.58202819790711 15.999 > 5 20 O 0.78809013262238 0.85393505181405 0.58202819790711 15.999 > 5 21 O 0.28809013262238 0.39606494818595 0.91797180209289 15.999 > 6 22 O 0.78809013262238 0.39606494818595 0.91797180209289 15.999 > 6 23 O 0.28809013262238 0.89606494818595 0.91797180209289 15.999 > 6 24 O 0.78809013262238 0.89606494818595 0.91797180209289 15.999 > 6 25 O 0.46190986737762 0.14606494818595 0.58202819790711 15.999 > 7 26 O 0.96190986737762 0.14606494818595 0.58202819790711 15.999 > 7 27 O 0.46190986737762 0.64606494818595 0.58202819790711 15.999 > 7 28 O 0.96190986737762 0.64606494818595 0.58202819790711 15.999 > 7 *29 O 0.20600662212387 0.12500000000000 0.75000000000000 15.999 > 8 30 O 0.70600662212387 0.12500000000000 0.75000000000000 15.999 > 8 31 O 0.20600662212387 0.62500000000000 0.75000000000000 15.999 > 8 32 O 0.70600662212387 0.62500000000000 0.75000000000000 15.999 > 8 33 O 0.29399337787613 0.37500000000000 0.25000000000000 15.999 > 9 34 O 0.79399337787613 0.37500000000000 0.25000000000000 15.999 > 9 35 O 0.29399337787613 0.87500000000000 0.25000000000000 15.999 > 9 36 O 0.79399337787613 0.87500000000000 0.25000000000000 15.999 > 9 37 O 0.45600662212387 0.12500000000000 0.25000000000000 15.999 > 10 38 O 0.95600662212387 0.12500000000000 0.25000000000000 15.999 > 10 39 O 0.45600662212387 0.62500000000000 0.25000000000000 15.999 > 10 40 O 0.95600662212387 0.62500000000000 0.25000000000000 15.999 > 10 41 O 0.03809013262238 0.39606494818595 0.08202819790711 15.999 > 11 42 O 0.53809013262238 0.39606494818595 0.08202819790711 15.999 > 11 43 O 0.03809013262238 0.89606494818595 0.08202819790711 15.999 > 11 44 O 0.53809013262238 0.89606494818595 0.08202819790711 15.999 > 11 45 O 0.04399337787613 0.37500000000000 0.75000000000000 15.999 > 12 46 O 0.54399337787613 0.37500000000000 0.75000000000000 15.999 > 12 47 O 0.04399337787613 0.87500000000000 0.75000000000000 15.999 > 12 48 O 0.54399337787613 0.87500000000000 0.75000000000000 15.999 > 12 49 O 0.21190986737762 0.10393505181405 0.08202819790711 15.999 > 13 50 O 0.71190986737762 0.10393505181405 0.08202819790711 15.999 > 13 51 O 0.21190986737762 0.60393505181405 0.08202819790711 15.999 > 13 52 O 0.71190986737762 0.60393505181405 0.08202819790711 15.999 > 13 53 O 0.21190986737762 0.14606494818595 0.41797180209289 15.999 > 14 54 O 0.71190986737762 0.14606494818595 0.41797180209289 15.999 > 14 55 O 0.21190986737762 0.64606494818595 0.41797180209289 15.999 > 14 56 O 0.71190986737762 0.64606494818595 0.41797180209289 15.999 > 14 57 O 0.03809013262238 0.35393505181405 0.41797180209289 15.999 > 15 58 O 0.53809013262238 0.35393505181405 0.41797180209289 15.999 > 15 59 O 0.03809013262238 0.85393505181405 0.41797180209289 15.999 > 15 60 O 0.53809013262238 0.85393505181405 0.41797180209289 15.999 > 15 61 O 0.46190986737762 0.10393505181405 0.91797180209289 15.999 > 16 62 O 0.96190986737762 0.10393505181405 0.91797180209289 15.999 > 16 63 O 0.46190986737762 0.60393505181405 0.91797180209289 15.999 > 16 64 O 0.96190986737762 0.60393505181405 0.91797180209289 15.999 > 16 *65 Sb 0.37500000000000 0.00000000000000 0.09452643585598 121.760 > 17 66 Sb 0.87500000000000 0.00000000000000 0.09452643585598 121.760 > 17 67 Sb 0.37500000000000 0.50000000000000 0.09452643585598 121.760 > 17 68 Sb 0.87500000000000 0.50000000000000 0.09452643585598 121.760 > 17 69 Sb 0.12500000000000 0.25000000000000 0.59452643585598 121.760 > 18 70 Sb 0.62500000000000 0.25000000000000 0.59452643585598 121.760 > 18 71 Sb 0.12500000000000 0.75000000000000 0.59452643585598 121.760 > 18 72 Sb 0.62500000000000 0.75000000000000 0.59452643585598 121.760 > 18 73 Sb 0.12500000000000 0.00000000000000 0.90547356414402 121.760 > 19 74 Sb 0.62500000000000 0.00000000000000 0.90547356414402 121.760 > 19 75 Sb 0.12500000000000 0.50000000000000 0.90547356414402 121.760 > 19 76 Sb 0.62500000000000 0.50000000000000 0.90547356414402 121.760 > 19 77 Sb 0.37500000000000 0.25000000000000 0.40547356414402 121.760 > 20 78 Sb 0.87500000000000 0.25000000000000 0.40547356414402 121.760 > 20 79 Sb 0.37500000000000 0.75000000000000 0.40547356414402 121.760 > 20 80 Sb 0.87500000000000 0.75000000000000 0.40547356414402 121.760 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0333511 0.0000000 0.0000000 0.0000000 3.5070368 0.0000000 0.0000000 0.0000000 4.0439890 -------------------------- Born effective charges -------------------------- 1 Li 1.2050011 0.0181774 0.0000000 0.0010448 1.1692660 0.0000000 0.0000000 -0.0000000 1.1028072 2 Li 1.2050011 -0.0181774 0.0000000 -0.0010448 1.1692660 0.0000000 0.0000000 -0.0000000 1.1028072 3 Li 1.2050011 0.0181774 0.0000000 0.0010448 1.1692660 0.0000000 0.0000000 -0.0000000 1.1028072 4 Li 1.2050011 -0.0181774 0.0000000 -0.0010448 1.1692660 0.0000000 0.0000000 -0.0000000 1.1028072 5 O -2.2282670 -0.0810350 0.3928310 -0.1508537 -1.4868409 -0.1900233 0.3717286 -0.1819872 -1.8947315 6 O -2.2282670 0.0810350 -0.3928310 0.1508537 -1.4868409 -0.1900233 -0.3717286 -0.1819872 -1.8947315 7 O -2.2282670 -0.0810350 -0.3928310 -0.1508537 -1.4868409 0.1900233 -0.3717286 0.1819872 -1.8947315 8 O -1.6656105 0.0000000 0.0000000 0.0000000 -2.1380160 0.9620123 0.0000000 0.9303474 -2.2324705 9 O -1.6656105 0.0000000 0.0000000 0.0000000 -2.1380160 0.9620123 0.0000000 0.9303474 -2.2324705 10 O -1.6656105 0.0000000 0.0000000 0.0000000 -2.1380160 -0.9620123 0.0000000 -0.9303474 -2.2324705 11 O -2.2282670 0.0810350 0.3928310 0.1508537 -1.4868409 0.1900233 0.3717286 0.1819872 -1.8947315 12 O -1.6656105 0.0000000 0.0000000 0.0000000 -2.1380160 -0.9620123 0.0000000 -0.9303474 -2.2324705 13 O -2.2282670 0.0810350 -0.3928310 0.1508537 -1.4868409 -0.1900233 -0.3717286 -0.1819872 -1.8947315 14 O -2.2282670 -0.0810350 0.3928310 -0.1508537 -1.4868409 -0.1900233 0.3717286 -0.1819872 -1.8947315 15 O -2.2282670 -0.0810350 -0.3928310 -0.1508537 -1.4868409 0.1900233 -0.3717286 0.1819872 -1.8947315 16 O -2.2282670 0.0810350 0.3928310 0.1508537 -1.4868409 0.1900233 0.3717286 0.1819872 -1.8947315 17 Sb 4.9171434 -0.0168735 0.0000000 0.5153498 3.9424317 0.0000000 0.0000000 -0.0000000 4.9191262 18 Sb 4.9171434 0.0168735 0.0000000 -0.5153498 3.9424317 0.0000000 0.0000000 -0.0000000 4.9191262 19 Sb 4.9171434 -0.0168735 0.0000000 0.5153498 3.9424317 0.0000000 0.0000000 -0.0000000 4.9191262 20 Sb 4.9171434 0.0168735 0.0000000 -0.5153498 3.9424317 0.0000000 0.0000000 -0.0000000 4.9191262 ---------------------------------------------------------------------------- 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: 966 Number of blocks in projector: 966 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: 204 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 188 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 126 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 126 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 126 Use standard eigh solver. Tree of FC basis block matrices: - (966, 942), data: False |-- (126, 122), data: True |-- (126, 122), data: True |-- (126, 122), data: True |-- (188, 186), data: True |-- (196, 192), data: True |-- (204, 198), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 320 - Time: 0.789 Solver_block: 200 / 320 - Time: 0.743 Solver_block: 300 / 320 - Time: 0.734 Solver_block: 320 / 320 - Time: 0.253 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.558 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 966 Number of blocks in projector: 966 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: 204 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 188 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 126 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 126 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 126 Use standard eigh solver. Tree of FC basis block matrices: - (966, 942), data: False |-- (126, 122), data: True |-- (126, 122), data: True |-- (126, 122), data: True |-- (188, 186), data: True |-- (196, 192), data: True |-- (204, 198), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:34:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:34:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnna (52) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.214302100000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.907842880000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.521330040000000 Atomic positions (fractional): 1 Li 0.75000000000000 0.00000000000000 0.69457374564113 6.941 2 Li 0.75000000000000 0.50000000000000 0.80542625435887 6.941 3 Li 0.25000000000000 0.00000000000000 0.30542625435887 6.941 4 Li 0.25000000000000 0.50000000000000 0.19457374564113 6.941 5 O 0.57618026524476 0.70787010362811 0.58202819790711 15.999 6 O 0.57618026524476 0.79212989637189 0.91797180209289 15.999 7 O 0.92381973475524 0.29212989637189 0.58202819790711 15.999 8 O 0.41201324424774 0.25000000000000 0.75000000000000 15.999 9 O 0.58798675575226 0.75000000000000 0.25000000000000 15.999 10 O 0.91201324424774 0.25000000000000 0.25000000000000 15.999 11 O 0.07618026524476 0.79212989637189 0.08202819790711 15.999 12 O 0.08798675575226 0.75000000000000 0.75000000000000 15.999 13 O 0.42381973475524 0.20787010362811 0.08202819790711 15.999 14 O 0.42381973475524 0.29212989637189 0.41797180209289 15.999 15 O 0.07618026524476 0.70787010362811 0.41797180209289 15.999 16 O 0.92381973475524 0.20787010362811 0.91797180209289 15.999 17 Sb 0.75000000000000 0.00000000000000 0.09452643585598 121.760 18 Sb 0.25000000000000 0.50000000000000 0.59452643585598 121.760 19 Sb 0.25000000000000 0.00000000000000 0.90547356414402 121.760 20 Sb 0.75000000000000 0.50000000000000 0.40547356414402 121.760 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.428604200000001 0.000000000000000 0.000000000000000 b 0.000000000000000 9.815685759999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.521330040000000 Atomic positions (fractional): 1 Li 0.37500000000000 0.00000000000000 0.69457374564113 6.941 > 1 2 Li 0.87500000000000 0.00000000000000 0.69457374564113 6.941 > 1 3 Li 0.37500000000000 0.50000000000000 0.69457374564113 6.941 > 1 4 Li 0.87500000000000 0.50000000000000 0.69457374564113 6.941 > 1 5 Li 0.37500000000000 0.25000000000000 0.80542625435887 6.941 > 5 6 Li 0.87500000000000 0.25000000000000 0.80542625435887 6.941 > 5 7 Li 0.37500000000000 0.75000000000000 0.80542625435887 6.941 > 5 8 Li 0.87500000000000 0.75000000000000 0.80542625435887 6.941 > 5 9 Li 0.12500000000000 0.00000000000000 0.30542625435887 6.941 > 9 10 Li 0.62500000000000 0.00000000000000 0.30542625435887 6.941 > 9 11 Li 0.12500000000000 0.50000000000000 0.30542625435887 6.941 > 9 12 Li 0.62500000000000 0.50000000000000 0.30542625435887 6.941 > 9 13 Li 0.12500000000000 0.25000000000000 0.19457374564113 6.941 > 13 14 Li 0.62500000000000 0.25000000000000 0.19457374564113 6.941 > 13 15 Li 0.12500000000000 0.75000000000000 0.19457374564113 6.941 > 13 16 Li 0.62500000000000 0.75000000000000 0.19457374564113 6.941 > 13 17 O 0.28809013262238 0.35393505181405 0.58202819790711 15.999 > 17 18 O 0.78809013262238 0.35393505181405 0.58202819790711 15.999 > 17 19 O 0.28809013262238 0.85393505181405 0.58202819790711 15.999 > 17 20 O 0.78809013262238 0.85393505181405 0.58202819790711 15.999 > 17 21 O 0.28809013262238 0.39606494818595 0.91797180209289 15.999 > 21 22 O 0.78809013262238 0.39606494818595 0.91797180209289 15.999 > 21 23 O 0.28809013262238 0.89606494818595 0.91797180209289 15.999 > 21 24 O 0.78809013262238 0.89606494818595 0.91797180209289 15.999 > 21 25 O 0.46190986737762 0.14606494818595 0.58202819790711 15.999 > 25 26 O 0.96190986737762 0.14606494818595 0.58202819790711 15.999 > 25 27 O 0.46190986737762 0.64606494818595 0.58202819790711 15.999 > 25 28 O 0.96190986737762 0.64606494818595 0.58202819790711 15.999 > 25 29 O 0.20600662212387 0.12500000000000 0.75000000000000 15.999 > 29 30 O 0.70600662212387 0.12500000000000 0.75000000000000 15.999 > 29 31 O 0.20600662212387 0.62500000000000 0.75000000000000 15.999 > 29 32 O 0.70600662212387 0.62500000000000 0.75000000000000 15.999 > 29 33 O 0.29399337787613 0.37500000000000 0.25000000000000 15.999 > 33 34 O 0.79399337787613 0.37500000000000 0.25000000000000 15.999 > 33 35 O 0.29399337787613 0.87500000000000 0.25000000000000 15.999 > 33 36 O 0.79399337787613 0.87500000000000 0.25000000000000 15.999 > 33 37 O 0.45600662212387 0.12500000000000 0.25000000000000 15.999 > 37 38 O 0.95600662212387 0.12500000000000 0.25000000000000 15.999 > 37 39 O 0.45600662212387 0.62500000000000 0.25000000000000 15.999 > 37 40 O 0.95600662212387 0.62500000000000 0.25000000000000 15.999 > 37 41 O 0.03809013262238 0.39606494818595 0.08202819790711 15.999 > 41 42 O 0.53809013262238 0.39606494818595 0.08202819790711 15.999 > 41 43 O 0.03809013262238 0.89606494818595 0.08202819790711 15.999 > 41 44 O 0.53809013262238 0.89606494818595 0.08202819790711 15.999 > 41 45 O 0.04399337787613 0.37500000000000 0.75000000000000 15.999 > 45 46 O 0.54399337787613 0.37500000000000 0.75000000000000 15.999 > 45 47 O 0.04399337787613 0.87500000000000 0.75000000000000 15.999 > 45 48 O 0.54399337787613 0.87500000000000 0.75000000000000 15.999 > 45 49 O 0.21190986737762 0.10393505181405 0.08202819790711 15.999 > 49 50 O 0.71190986737762 0.10393505181405 0.08202819790711 15.999 > 49 51 O 0.21190986737762 0.60393505181405 0.08202819790711 15.999 > 49 52 O 0.71190986737762 0.60393505181405 0.08202819790711 15.999 > 49 53 O 0.21190986737762 0.14606494818595 0.41797180209289 15.999 > 53 54 O 0.71190986737762 0.14606494818595 0.41797180209289 15.999 > 53 55 O 0.21190986737762 0.64606494818595 0.41797180209289 15.999 > 53 56 O 0.71190986737762 0.64606494818595 0.41797180209289 15.999 > 53 57 O 0.03809013262238 0.35393505181405 0.41797180209289 15.999 > 57 58 O 0.53809013262238 0.35393505181405 0.41797180209289 15.999 > 57 59 O 0.03809013262238 0.85393505181405 0.41797180209289 15.999 > 57 60 O 0.53809013262238 0.85393505181405 0.41797180209289 15.999 > 57 61 O 0.46190986737762 0.10393505181405 0.91797180209289 15.999 > 61 62 O 0.96190986737762 0.10393505181405 0.91797180209289 15.999 > 61 63 O 0.46190986737762 0.60393505181405 0.91797180209289 15.999 > 61 64 O 0.96190986737762 0.60393505181405 0.91797180209289 15.999 > 61 65 Sb 0.37500000000000 0.00000000000000 0.09452643585598 121.760 > 65 66 Sb 0.87500000000000 0.00000000000000 0.09452643585598 121.760 > 65 67 Sb 0.37500000000000 0.50000000000000 0.09452643585598 121.760 > 65 68 Sb 0.87500000000000 0.50000000000000 0.09452643585598 121.760 > 65 69 Sb 0.12500000000000 0.25000000000000 0.59452643585598 121.760 > 69 70 Sb 0.62500000000000 0.25000000000000 0.59452643585598 121.760 > 69 71 Sb 0.12500000000000 0.75000000000000 0.59452643585598 121.760 > 69 72 Sb 0.62500000000000 0.75000000000000 0.59452643585598 121.760 > 69 73 Sb 0.12500000000000 0.00000000000000 0.90547356414402 121.760 > 73 74 Sb 0.62500000000000 0.00000000000000 0.90547356414402 121.760 > 73 75 Sb 0.12500000000000 0.50000000000000 0.90547356414402 121.760 > 73 76 Sb 0.62500000000000 0.50000000000000 0.90547356414402 121.760 > 73 77 Sb 0.37500000000000 0.25000000000000 0.40547356414402 121.760 > 77 78 Sb 0.87500000000000 0.25000000000000 0.40547356414402 121.760 > 77 79 Sb 0.37500000000000 0.75000000000000 0.40547356414402 121.760 > 77 80 Sb 0.87500000000000 0.75000000000000 0.40547356414402 121.760 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0333511 0.0000000 0.0000000 0.0000000 3.5070368 0.0000000 0.0000000 0.0000000 4.0439890 -------------------------- Born effective charges -------------------------- 1 Li 1.2050011 0.0181774 0.0000000 0.0010448 1.1692660 0.0000000 0.0000000 -0.0000000 1.1028072 2 Li 1.2050011 -0.0181774 0.0000000 -0.0010448 1.1692660 0.0000000 0.0000000 -0.0000000 1.1028072 3 Li 1.2050011 0.0181774 0.0000000 0.0010448 1.1692660 0.0000000 0.0000000 -0.0000000 1.1028072 4 Li 1.2050011 -0.0181774 0.0000000 -0.0010448 1.1692660 0.0000000 0.0000000 -0.0000000 1.1028072 5 O -2.2282670 -0.0810350 0.3928310 -0.1508537 -1.4868409 -0.1900233 0.3717286 -0.1819872 -1.8947315 6 O -2.2282670 0.0810350 -0.3928310 0.1508537 -1.4868409 -0.1900233 -0.3717286 -0.1819872 -1.8947315 7 O -2.2282670 -0.0810350 -0.3928310 -0.1508537 -1.4868409 0.1900233 -0.3717286 0.1819872 -1.8947315 8 O -1.6656105 0.0000000 0.0000000 0.0000000 -2.1380160 0.9620123 0.0000000 0.9303474 -2.2324705 9 O -1.6656105 0.0000000 0.0000000 0.0000000 -2.1380160 0.9620123 0.0000000 0.9303474 -2.2324705 10 O -1.6656105 0.0000000 0.0000000 0.0000000 -2.1380160 -0.9620123 0.0000000 -0.9303474 -2.2324705 11 O -2.2282670 0.0810350 0.3928310 0.1508537 -1.4868409 0.1900233 0.3717286 0.1819872 -1.8947315 12 O -1.6656105 0.0000000 0.0000000 0.0000000 -2.1380160 -0.9620123 0.0000000 -0.9303474 -2.2324705 13 O -2.2282670 0.0810350 -0.3928310 0.1508537 -1.4868409 -0.1900233 -0.3717286 -0.1819872 -1.8947315 14 O -2.2282670 -0.0810350 0.3928310 -0.1508537 -1.4868409 -0.1900233 0.3717286 -0.1819872 -1.8947315 15 O -2.2282670 -0.0810350 -0.3928310 -0.1508537 -1.4868409 0.1900233 -0.3717286 0.1819872 -1.8947315 16 O -2.2282670 0.0810350 0.3928310 0.1508537 -1.4868409 0.1900233 0.3717286 0.1819872 -1.8947315 17 Sb 4.9171434 -0.0168735 0.0000000 0.5153498 3.9424317 0.0000000 0.0000000 -0.0000000 4.9191262 18 Sb 4.9171434 0.0168735 0.0000000 -0.5153498 3.9424317 0.0000000 0.0000000 -0.0000000 4.9191262 19 Sb 4.9171434 -0.0168735 0.0000000 0.5153498 3.9424317 0.0000000 0.0000000 -0.0000000 4.9191262 20 Sb 4.9171434 0.0168735 0.0000000 -0.5153498 3.9424317 0.0000000 0.0000000 -0.0000000 4.9191262 ---------------------------------------------------------------------------- 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[ 17, 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[ 29, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000014 (xxx) 0.00000014 (xxx) 0.00000014 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (yx) 0.00000002 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:35:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:35:01]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnna (52) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.214302100000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.907842880000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.521330040000000 Atomic positions (fractional): 1 Li 0.75000000000000 0.00000000000000 0.69457374564113 6.941 2 Li 0.75000000000000 0.50000000000000 0.80542625435887 6.941 3 Li 0.25000000000000 0.00000000000000 0.30542625435887 6.941 4 Li 0.25000000000000 0.50000000000000 0.19457374564113 6.941 5 O 0.57618026524476 0.70787010362811 0.58202819790711 15.999 6 O 0.57618026524476 0.79212989637189 0.91797180209289 15.999 7 O 0.92381973475524 0.29212989637189 0.58202819790711 15.999 8 O 0.41201324424774 0.25000000000000 0.75000000000000 15.999 9 O 0.58798675575226 0.75000000000000 0.25000000000000 15.999 10 O 0.91201324424774 0.25000000000000 0.25000000000000 15.999 11 O 0.07618026524476 0.79212989637189 0.08202819790711 15.999 12 O 0.08798675575226 0.75000000000000 0.75000000000000 15.999 13 O 0.42381973475524 0.20787010362811 0.08202819790711 15.999 14 O 0.42381973475524 0.29212989637189 0.41797180209289 15.999 15 O 0.07618026524476 0.70787010362811 0.41797180209289 15.999 16 O 0.92381973475524 0.20787010362811 0.91797180209289 15.999 17 Sb 0.75000000000000 0.00000000000000 0.09452643585598 121.760 18 Sb 0.25000000000000 0.50000000000000 0.59452643585598 121.760 19 Sb 0.25000000000000 0.00000000000000 0.90547356414402 121.760 20 Sb 0.75000000000000 0.50000000000000 0.40547356414402 121.760 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.428604200000001 0.000000000000000 0.000000000000000 b 0.000000000000000 9.815685759999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.521330040000000 Atomic positions (fractional): 1 Li 0.37500000000000 0.00000000000000 0.69457374564113 6.941 > 1 2 Li 0.87500000000000 0.00000000000000 0.69457374564113 6.941 > 1 3 Li 0.37500000000000 0.50000000000000 0.69457374564113 6.941 > 1 4 Li 0.87500000000000 0.50000000000000 0.69457374564113 6.941 > 1 5 Li 0.37500000000000 0.25000000000000 0.80542625435887 6.941 > 5 6 Li 0.87500000000000 0.25000000000000 0.80542625435887 6.941 > 5 7 Li 0.37500000000000 0.75000000000000 0.80542625435887 6.941 > 5 8 Li 0.87500000000000 0.75000000000000 0.80542625435887 6.941 > 5 9 Li 0.12500000000000 0.00000000000000 0.30542625435887 6.941 > 9 10 Li 0.62500000000000 0.00000000000000 0.30542625435887 6.941 > 9 11 Li 0.12500000000000 0.50000000000000 0.30542625435887 6.941 > 9 12 Li 0.62500000000000 0.50000000000000 0.30542625435887 6.941 > 9 13 Li 0.12500000000000 0.25000000000000 0.19457374564113 6.941 > 13 14 Li 0.62500000000000 0.25000000000000 0.19457374564113 6.941 > 13 15 Li 0.12500000000000 0.75000000000000 0.19457374564113 6.941 > 13 16 Li 0.62500000000000 0.75000000000000 0.19457374564113 6.941 > 13 17 O 0.28809013262238 0.35393505181405 0.58202819790711 15.999 > 17 18 O 0.78809013262238 0.35393505181405 0.58202819790711 15.999 > 17 19 O 0.28809013262238 0.85393505181405 0.58202819790711 15.999 > 17 20 O 0.78809013262238 0.85393505181405 0.58202819790711 15.999 > 17 21 O 0.28809013262238 0.39606494818595 0.91797180209289 15.999 > 21 22 O 0.78809013262238 0.39606494818595 0.91797180209289 15.999 > 21 23 O 0.28809013262238 0.89606494818595 0.91797180209289 15.999 > 21 24 O 0.78809013262238 0.89606494818595 0.91797180209289 15.999 > 21 25 O 0.46190986737762 0.14606494818595 0.58202819790711 15.999 > 25 26 O 0.96190986737762 0.14606494818595 0.58202819790711 15.999 > 25 27 O 0.46190986737762 0.64606494818595 0.58202819790711 15.999 > 25 28 O 0.96190986737762 0.64606494818595 0.58202819790711 15.999 > 25 29 O 0.20600662212387 0.12500000000000 0.75000000000000 15.999 > 29 30 O 0.70600662212387 0.12500000000000 0.75000000000000 15.999 > 29 31 O 0.20600662212387 0.62500000000000 0.75000000000000 15.999 > 29 32 O 0.70600662212387 0.62500000000000 0.75000000000000 15.999 > 29 33 O 0.29399337787613 0.37500000000000 0.25000000000000 15.999 > 33 34 O 0.79399337787613 0.37500000000000 0.25000000000000 15.999 > 33 35 O 0.29399337787613 0.87500000000000 0.25000000000000 15.999 > 33 36 O 0.79399337787613 0.87500000000000 0.25000000000000 15.999 > 33 37 O 0.45600662212387 0.12500000000000 0.25000000000000 15.999 > 37 38 O 0.95600662212387 0.12500000000000 0.25000000000000 15.999 > 37 39 O 0.45600662212387 0.62500000000000 0.25000000000000 15.999 > 37 40 O 0.95600662212387 0.62500000000000 0.25000000000000 15.999 > 37 41 O 0.03809013262238 0.39606494818595 0.08202819790711 15.999 > 41 42 O 0.53809013262238 0.39606494818595 0.08202819790711 15.999 > 41 43 O 0.03809013262238 0.89606494818595 0.08202819790711 15.999 > 41 44 O 0.53809013262238 0.89606494818595 0.08202819790711 15.999 > 41 45 O 0.04399337787613 0.37500000000000 0.75000000000000 15.999 > 45 46 O 0.54399337787613 0.37500000000000 0.75000000000000 15.999 > 45 47 O 0.04399337787613 0.87500000000000 0.75000000000000 15.999 > 45 48 O 0.54399337787613 0.87500000000000 0.75000000000000 15.999 > 45 49 O 0.21190986737762 0.10393505181405 0.08202819790711 15.999 > 49 50 O 0.71190986737762 0.10393505181405 0.08202819790711 15.999 > 49 51 O 0.21190986737762 0.60393505181405 0.08202819790711 15.999 > 49 52 O 0.71190986737762 0.60393505181405 0.08202819790711 15.999 > 49 53 O 0.21190986737762 0.14606494818595 0.41797180209289 15.999 > 53 54 O 0.71190986737762 0.14606494818595 0.41797180209289 15.999 > 53 55 O 0.21190986737762 0.64606494818595 0.41797180209289 15.999 > 53 56 O 0.71190986737762 0.64606494818595 0.41797180209289 15.999 > 53 57 O 0.03809013262238 0.35393505181405 0.41797180209289 15.999 > 57 58 O 0.53809013262238 0.35393505181405 0.41797180209289 15.999 > 57 59 O 0.03809013262238 0.85393505181405 0.41797180209289 15.999 > 57 60 O 0.53809013262238 0.85393505181405 0.41797180209289 15.999 > 57 61 O 0.46190986737762 0.10393505181405 0.91797180209289 15.999 > 61 62 O 0.96190986737762 0.10393505181405 0.91797180209289 15.999 > 61 63 O 0.46190986737762 0.60393505181405 0.91797180209289 15.999 > 61 64 O 0.96190986737762 0.60393505181405 0.91797180209289 15.999 > 61 65 Sb 0.37500000000000 0.00000000000000 0.09452643585598 121.760 > 65 66 Sb 0.87500000000000 0.00000000000000 0.09452643585598 121.760 > 65 67 Sb 0.37500000000000 0.50000000000000 0.09452643585598 121.760 > 65 68 Sb 0.87500000000000 0.50000000000000 0.09452643585598 121.760 > 65 69 Sb 0.12500000000000 0.25000000000000 0.59452643585598 121.760 > 69 70 Sb 0.62500000000000 0.25000000000000 0.59452643585598 121.760 > 69 71 Sb 0.12500000000000 0.75000000000000 0.59452643585598 121.760 > 69 72 Sb 0.62500000000000 0.75000000000000 0.59452643585598 121.760 > 69 73 Sb 0.12500000000000 0.00000000000000 0.90547356414402 121.760 > 73 74 Sb 0.62500000000000 0.00000000000000 0.90547356414402 121.760 > 73 75 Sb 0.12500000000000 0.50000000000000 0.90547356414402 121.760 > 73 76 Sb 0.62500000000000 0.50000000000000 0.90547356414402 121.760 > 73 77 Sb 0.37500000000000 0.25000000000000 0.40547356414402 121.760 > 77 78 Sb 0.87500000000000 0.25000000000000 0.40547356414402 121.760 > 77 79 Sb 0.37500000000000 0.75000000000000 0.40547356414402 121.760 > 77 80 Sb 0.87500000000000 0.75000000000000 0.40547356414402 121.760 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.0333511 0.0000000 0.0000000 0.0000000 3.5070368 0.0000000 0.0000000 0.0000000 4.0439890 -------------------------- Born effective charges -------------------------- 1 Li 1.2050011 0.0181774 0.0000000 0.0010448 1.1692660 0.0000000 0.0000000 -0.0000000 1.1028072 2 Li 1.2050011 -0.0181774 0.0000000 -0.0010448 1.1692660 0.0000000 0.0000000 -0.0000000 1.1028072 3 Li 1.2050011 0.0181774 0.0000000 0.0010448 1.1692660 0.0000000 0.0000000 -0.0000000 1.1028072 4 Li 1.2050011 -0.0181774 0.0000000 -0.0010448 1.1692660 0.0000000 0.0000000 -0.0000000 1.1028072 5 O -2.2282670 -0.0810350 0.3928310 -0.1508537 -1.4868409 -0.1900233 0.3717286 -0.1819872 -1.8947315 6 O -2.2282670 0.0810350 -0.3928310 0.1508537 -1.4868409 -0.1900233 -0.3717286 -0.1819872 -1.8947315 7 O -2.2282670 -0.0810350 -0.3928310 -0.1508537 -1.4868409 0.1900233 -0.3717286 0.1819872 -1.8947315 8 O -1.6656105 0.0000000 0.0000000 0.0000000 -2.1380160 0.9620123 0.0000000 0.9303474 -2.2324705 9 O -1.6656105 0.0000000 0.0000000 0.0000000 -2.1380160 0.9620123 0.0000000 0.9303474 -2.2324705 10 O -1.6656105 0.0000000 0.0000000 0.0000000 -2.1380160 -0.9620123 0.0000000 -0.9303474 -2.2324705 11 O -2.2282670 0.0810350 0.3928310 0.1508537 -1.4868409 0.1900233 0.3717286 0.1819872 -1.8947315 12 O -1.6656105 0.0000000 0.0000000 0.0000000 -2.1380160 -0.9620123 0.0000000 -0.9303474 -2.2324705 13 O -2.2282670 0.0810350 -0.3928310 0.1508537 -1.4868409 -0.1900233 -0.3717286 -0.1819872 -1.8947315 14 O -2.2282670 -0.0810350 0.3928310 -0.1508537 -1.4868409 -0.1900233 0.3717286 -0.1819872 -1.8947315 15 O -2.2282670 -0.0810350 -0.3928310 -0.1508537 -1.4868409 0.1900233 -0.3717286 0.1819872 -1.8947315 16 O -2.2282670 0.0810350 0.3928310 0.1508537 -1.4868409 0.1900233 0.3717286 0.1819872 -1.8947315 17 Sb 4.9171434 -0.0168735 0.0000000 0.5153498 3.9424317 0.0000000 0.0000000 -0.0000000 4.9191262 18 Sb 4.9171434 0.0168735 0.0000000 -0.5153498 3.9424317 0.0000000 0.0000000 -0.0000000 4.9191262 19 Sb 4.9171434 -0.0168735 0.0000000 0.5153498 3.9424317 0.0000000 0.0000000 -0.0000000 4.9191262 20 Sb 4.9171434 0.0168735 0.0000000 -0.5153498 3.9424317 0.0000000 0.0000000 -0.0000000 4.9191262 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000014 (xxx) 0.00000014 (xxx) 0.00000014 (xxx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 6 ] 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: 0.69, Number of G-points: 299, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/144) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 2.458 ( 0.000 0.000 0.000) 0.000 2.801 ( 0.000 0.000 0.000) 0.000 4.396 ( 0.000 0.000 0.000) 0.000 4.599 ( 0.000 0.000 0.000) 0.000 5.263 ( 0.000 0.000 0.000) 0.000 5.548 ( 0.000 0.000 0.000) 0.000 5.570 ( 0.000 0.000 0.000) 0.000 5.749 ( 0.000 0.000 0.000) 0.000 5.835 ( 0.000 0.000 0.000) 0.000 6.543 ( 0.000 0.000 0.000) 0.000 6.558 ( 0.000 0.000 0.000) 0.000 6.955 ( 0.000 0.000 0.000) 0.000 7.047 ( 0.000 0.000 0.000) 0.000 7.226 ( 0.000 0.000 0.000) 0.000 7.655 ( 0.000 0.000 0.000) 0.000 7.796 ( 0.000 0.000 0.000) 0.000 7.805 ( 0.000 0.000 0.000) 0.000 8.220 ( 0.000 0.000 0.000) 0.000 8.228 ( 0.000 0.000 0.000) 0.000 8.239 ( 0.000 0.000 0.000) 0.000 8.950 ( 0.000 0.000 0.000) 0.000 9.063 ( 0.000 0.000 0.000) 0.000 9.145 ( 0.000 0.000 0.000) 0.000 9.192 ( 0.000 0.000 0.000) 0.000 9.583 ( 0.000 0.000 0.000) 0.000 10.319 ( 0.000 0.000 0.000) 0.000 10.549 ( 0.000 0.000 0.000) 0.000 10.605 ( 0.000 0.000 0.000) 0.000 11.533 ( 0.000 0.000 0.000) 0.000 11.565 ( 0.000 0.000 0.000) 0.000 11.590 ( 0.000 0.000 0.000) 0.000 12.908 ( 0.000 0.000 0.000) 0.000 12.936 ( 0.000 0.000 0.000) 0.000 13.366 ( 0.000 0.000 0.000) 0.000 13.941 ( 0.000 0.000 0.000) 0.000 14.668 ( 0.000 0.000 0.000) 0.000 15.410 ( 0.000 0.000 0.000) 0.000 15.649 ( 0.000 0.000 0.000) 0.000 15.753 ( 0.000 0.000 0.000) 0.000 15.801 ( 0.000 0.000 0.000) 0.000 16.106 ( 0.000 0.000 0.000) 0.000 16.461 ( 0.000 0.000 0.000) 0.000 16.729 ( 0.000 0.000 0.000) 0.000 17.194 ( 0.000 0.000 0.000) 0.000 17.524 ( 0.000 0.000 0.000) 0.000 18.016 ( 0.000 0.000 0.000) 0.000 18.061 ( 0.000 0.000 0.000) 0.000 18.462 ( 0.000 0.000 0.000) 0.000 19.143 ( 0.000 0.000 0.000) 0.000 19.366 ( 0.000 0.000 0.000) 0.000 19.713 ( 0.000 0.000 0.000) 0.000 19.742 ( 0.000 0.000 0.000) 0.000 19.999 ( 0.000 0.000 0.000) 0.000 20.507 ( 0.000 0.000 0.000) 0.000 20.735 ( 0.000 0.000 0.000) 0.000 21.362 ( 0.000 0.000 0.000) 0.000 22.815 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/144) ======================= q-point: ( 0.10 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( 30.121 0.000 0.000) 30.121 0.694 ( 35.647 0.000 0.000) 35.647 1.357 ( 69.356 0.000 0.000) 69.356 2.520 ( 5.985 0.000 0.000) 5.985 2.974 ( 16.981 0.000 0.000) 16.981 4.378 ( -1.600 0.000 0.000) 1.600 4.835 ( 1.029 0.000 0.000) 1.029 5.269 ( 0.103 0.000 0.000) 0.103 5.401 ( -13.737 0.000 0.000) 13.737 5.457 ( -22.580 0.000 0.000) 22.580 5.598 ( 2.885 0.000 0.000) 2.885 5.842 ( -1.649 0.000 0.000) 1.649 6.568 ( 0.324 0.000 0.000) 0.324 6.638 ( 5.970 0.000 0.000) 5.970 6.948 ( -0.860 0.000 0.000) 0.860 7.214 ( 15.953 0.000 0.000) 15.953 7.240 ( 1.299 0.000 0.000) 1.299 7.680 ( -10.860 0.000 0.000) 10.860 7.790 ( -1.382 0.000 0.000) 1.382 8.088 ( -13.916 0.000 0.000) 13.916 8.232 ( -1.511 0.000 0.000) 1.511 8.248 ( -4.661 0.000 0.000) 4.661 8.265 ( 4.211 0.000 0.000) 4.211 8.792 ( -18.080 0.000 0.000) 18.080 9.112 ( -7.157 0.000 0.000) 7.157 9.300 ( 8.109 0.000 0.000) 8.109 9.674 ( 9.067 0.000 0.000) 9.067 9.803 ( 2.283 0.000 0.000) 2.283 10.337 ( 1.215 0.000 0.000) 1.215 10.621 ( 1.157 0.000 0.000) 1.157 10.636 ( 7.973 0.000 0.000) 7.973 11.406 ( -10.241 0.000 0.000) 10.241 11.539 ( 0.556 0.000 0.000) 0.556 11.686 ( 3.755 0.000 0.000) 3.755 12.903 ( -0.601 0.000 0.000) 0.601 13.345 ( -2.673 0.000 0.000) 2.673 13.924 ( -1.306 0.000 0.000) 1.306 14.588 ( -2.218 0.000 0.000) 2.218 14.619 ( -4.508 0.000 0.000) 4.508 15.373 ( -3.440 0.000 0.000) 3.440 15.538 ( -8.778 0.000 0.000) 8.778 15.831 ( 5.398 0.000 0.000) 5.398 15.859 ( -0.401 0.000 0.000) 0.401 16.140 ( 3.042 0.000 0.000) 3.042 16.501 ( 4.127 0.000 0.000) 4.127 17.151 ( -3.761 0.000 0.000) 3.761 17.215 ( -0.052 0.000 0.000) 0.052 17.574 ( 5.114 0.000 0.000) 5.114 18.076 ( 1.488 0.000 0.000) 1.488 18.524 ( 4.645 0.000 0.000) 4.645 19.158 ( 1.613 0.000 0.000) 1.613 19.384 ( 1.808 0.000 0.000) 1.808 19.692 ( -0.714 0.000 0.000) 0.714 19.759 ( 1.753 0.000 0.000) 1.753 19.992 ( -0.662 0.000 0.000) 0.662 20.543 ( 3.107 0.000 0.000) 3.107 20.686 ( -4.934 0.000 0.000) 4.934 21.392 ( 3.064 0.000 0.000) 3.064 21.824 ( -4.145 0.000 0.000) 4.145 22.768 ( -4.761 0.000 0.000) 4.761 ======================= Grid point 2 (3/144) ======================= q-point: ( 0.20 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 27.614 0.000 0.000) 27.614 1.357 ( 33.310 0.000 0.000) 33.310 2.627 ( 62.063 0.000 0.000) 62.063 2.651 ( 6.399 0.000 0.000) 6.399 3.385 ( 23.307 0.000 0.000) 23.307 4.355 ( 0.019 0.000 0.000) 0.019 4.873 ( 3.230 0.000 0.000) 3.230 5.023 ( -20.913 0.000 0.000) 20.913 5.052 ( -18.541 0.000 0.000) 18.541 5.298 ( 0.765 0.000 0.000) 0.765 5.677 ( 5.236 0.000 0.000) 5.236 5.772 ( -5.617 0.000 0.000) 5.617 6.546 ( -2.825 0.000 0.000) 2.825 6.746 ( 6.068 0.000 0.000) 6.068 6.912 ( -3.147 0.000 0.000) 3.147 7.269 ( 1.466 0.000 0.000) 1.466 7.419 ( -15.903 0.000 0.000) 15.903 7.542 ( 15.420 0.000 0.000) 15.420 7.767 ( -0.512 0.000 0.000) 0.512 7.779 ( -16.195 0.000 0.000) 16.195 8.080 ( -15.390 0.000 0.000) 15.390 8.125 ( -7.576 0.000 0.000) 7.576 8.332 ( 0.639 0.000 0.000) 0.639 8.492 ( -11.231 0.000 0.000) 11.231 8.999 ( -1.971 0.000 0.000) 1.971 9.458 ( 8.828 0.000 0.000) 8.828 9.838 ( 0.840 0.000 0.000) 0.840 9.899 ( 13.213 0.000 0.000) 13.213 10.342 ( -1.012 0.000 0.000) 1.012 10.626 ( -1.141 0.000 0.000) 1.141 10.805 ( 8.563 0.000 0.000) 8.563 11.193 ( -11.535 0.000 0.000) 11.535 11.550 ( 0.483 0.000 0.000) 0.483 11.723 ( 0.225 0.000 0.000) 0.225 12.884 ( -1.416 0.000 0.000) 1.416 13.241 ( -8.450 0.000 0.000) 8.450 13.922 ( 1.755 0.000 0.000) 1.755 14.528 ( -4.165 0.000 0.000) 4.165 14.529 ( -3.873 0.000 0.000) 3.873 15.305 ( -2.957 0.000 0.000) 2.957 15.340 ( -11.620 0.000 0.000) 11.620 15.833 ( -2.752 0.000 0.000) 2.752 15.937 ( 5.480 0.000 0.000) 5.480 16.200 ( 2.689 0.000 0.000) 2.689 16.610 ( 6.905 0.000 0.000) 6.905 17.080 ( -3.193 0.000 0.000) 3.193 17.233 ( 2.582 0.000 0.000) 2.582 17.710 ( 8.598 0.000 0.000) 8.598 18.111 ( 2.010 0.000 0.000) 2.010 18.548 ( -3.843 0.000 0.000) 3.843 19.204 ( 3.103 0.000 0.000) 3.103 19.430 ( 2.755 0.000 0.000) 2.755 19.757 ( 8.526 0.000 0.000) 8.526 19.811 ( 3.667 0.000 0.000) 3.667 19.978 ( -0.646 0.000 0.000) 0.646 20.559 ( -7.964 0.000 0.000) 7.964 20.598 ( 2.105 0.000 0.000) 2.105 21.474 ( 5.332 0.000 0.000) 5.332 21.706 ( -8.127 0.000 0.000) 8.127 22.638 ( -8.689 0.000 0.000) 8.689 ======================= Grid point 3 (4/144) ======================= q-point: ( 0.30 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 23.763 0.000 0.000) 23.763 1.961 ( 29.228 0.000 0.000) 29.228 2.725 ( 0.945 0.000 0.000) 0.945 3.678 ( 45.521 0.000 0.000) 45.521 3.716 ( 5.794 0.000 0.000) 5.794 4.406 ( 5.734 0.000 0.000) 5.734 4.696 ( -12.674 0.000 0.000) 12.674 4.787 ( -5.006 0.000 0.000) 5.006 4.966 ( 6.558 0.000 0.000) 6.558 5.324 ( 2.688 0.000 0.000) 2.688 5.634 ( -8.481 0.000 0.000) 8.481 5.790 ( 6.201 0.000 0.000) 6.201 6.463 ( -5.485 0.000 0.000) 5.485 6.846 ( -1.944 0.000 0.000) 1.944 6.883 ( 8.031 0.000 0.000) 8.031 7.068 ( -20.884 0.000 0.000) 20.884 7.287 ( 0.452 0.000 0.000) 0.452 7.525 ( -9.796 0.000 0.000) 9.796 7.735 ( -17.503 0.000 0.000) 17.503 7.742 ( 4.642 0.000 0.000) 4.642 7.787 ( 2.807 0.000 0.000) 2.807 7.980 ( -6.900 0.000 0.000) 6.900 8.240 ( -9.481 0.000 0.000) 9.481 8.325 ( -7.808 0.000 0.000) 7.808 9.090 ( 10.347 0.000 0.000) 10.347 9.642 ( 10.269 0.000 0.000) 10.269 9.820 ( -2.932 0.000 0.000) 2.932 10.130 ( 9.245 0.000 0.000) 9.245 10.303 ( -2.400 0.000 0.000) 2.400 10.568 ( -4.746 0.000 0.000) 4.746 10.940 ( 5.195 0.000 0.000) 5.195 10.991 ( -8.436 0.000 0.000) 8.436 11.556 ( 0.230 0.000 0.000) 0.230 11.700 ( -2.362 0.000 0.000) 2.362 12.848 ( -2.267 0.000 0.000) 2.267 13.043 ( -10.912 0.000 0.000) 10.912 13.996 ( 5.567 0.000 0.000) 5.567 14.445 ( -4.774 0.000 0.000) 4.774 14.483 ( -0.152 0.000 0.000) 0.152 15.103 ( -12.724 0.000 0.000) 12.724 15.278 ( 0.361 0.000 0.000) 0.361 15.744 ( -6.460 0.000 0.000) 6.460 16.038 ( 4.960 0.000 0.000) 4.960 16.233 ( 0.667 0.000 0.000) 0.667 16.751 ( 7.382 0.000 0.000) 7.382 17.034 ( -1.714 0.000 0.000) 1.714 17.330 ( 7.718 0.000 0.000) 7.718 17.884 ( 9.001 0.000 0.000) 9.001 18.145 ( 1.382 0.000 0.000) 1.382 18.379 ( -12.688 0.000 0.000) 12.688 19.276 ( 4.372 0.000 0.000) 4.372 19.478 ( 1.981 0.000 0.000) 1.981 19.900 ( 5.661 0.000 0.000) 5.661 19.975 ( 0.476 0.000 0.000) 0.476 19.990 ( 13.697 0.000 0.000) 13.697 20.392 ( -9.097 0.000 0.000) 9.097 20.624 ( 1.327 0.000 0.000) 1.327 21.515 ( -11.756 0.000 0.000) 11.756 21.597 ( 7.624 0.000 0.000) 7.624 22.444 ( -11.284 0.000 0.000) 11.284 ======================= Grid point 4 (5/144) ======================= q-point: ( 0.40 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( 18.552 0.000 0.000) 18.552 2.411 ( 11.717 0.000 0.000) 11.717 2.749 ( 7.988 0.000 0.000) 7.988 3.547 ( -19.255 0.000 0.000) 19.255 4.304 ( 19.313 0.000 0.000) 19.313 4.540 ( -4.122 0.000 0.000) 4.122 4.566 ( 10.052 0.000 0.000) 10.052 4.821 ( 1.796 0.000 0.000) 1.796 5.116 ( 8.501 0.000 0.000) 8.501 5.459 ( -9.443 0.000 0.000) 9.443 5.475 ( 15.058 0.000 0.000) 15.058 5.894 ( 3.536 0.000 0.000) 3.536 6.354 ( -5.287 0.000 0.000) 5.287 6.633 ( -23.047 0.000 0.000) 23.047 6.934 ( 12.568 0.000 0.000) 12.568 7.042 ( 8.143 0.000 0.000) 8.143 7.295 ( 0.815 0.000 0.000) 0.815 7.383 ( -5.683 0.000 0.000) 5.683 7.468 ( -10.092 0.000 0.000) 10.092 7.701 ( -9.639 0.000 0.000) 9.639 7.875 ( 6.133 0.000 0.000) 6.133 7.885 ( -2.562 0.000 0.000) 2.562 8.028 ( -10.664 0.000 0.000) 10.664 8.170 ( -8.292 0.000 0.000) 8.292 9.324 ( 12.702 0.000 0.000) 12.702 9.723 ( -7.161 0.000 0.000) 7.161 9.847 ( 10.884 0.000 0.000) 10.884 10.193 ( -3.192 0.000 0.000) 3.192 10.280 ( 0.669 0.000 0.000) 0.669 10.455 ( -6.559 0.000 0.000) 6.559 10.916 ( 0.784 0.000 0.000) 0.784 10.997 ( 0.686 0.000 0.000) 0.686 11.564 ( 0.727 0.000 0.000) 0.727 11.644 ( -3.159 0.000 0.000) 3.159 12.804 ( -1.945 0.000 0.000) 1.945 12.866 ( -6.812 0.000 0.000) 6.812 14.117 ( 6.633 0.000 0.000) 6.633 14.348 ( -5.317 0.000 0.000) 5.317 14.528 ( 4.798 0.000 0.000) 4.798 14.865 ( -11.803 0.000 0.000) 11.803 15.322 ( 4.288 0.000 0.000) 4.288 15.596 ( -8.517 0.000 0.000) 8.517 16.124 ( 3.954 0.000 0.000) 3.954 16.226 ( -1.242 0.000 0.000) 1.242 16.879 ( 5.648 0.000 0.000) 5.648 17.005 ( -1.552 0.000 0.000) 1.552 17.527 ( 12.539 0.000 0.000) 12.539 18.036 ( 6.525 0.000 0.000) 6.525 18.100 ( -15.699 0.000 0.000) 15.699 18.158 ( -0.277 0.000 0.000) 0.277 19.367 ( 4.920 0.000 0.000) 4.920 19.494 ( -0.596 0.000 0.000) 0.596 20.004 ( 2.735 0.000 0.000) 2.735 20.023 ( 6.941 0.000 0.000) 6.941 20.181 ( 3.923 0.000 0.000) 3.923 20.222 ( -8.323 0.000 0.000) 8.323 20.709 ( 9.297 0.000 0.000) 9.297 21.260 ( -14.660 0.000 0.000) 14.660 21.767 ( 10.075 0.000 0.000) 10.075 22.215 ( -12.362 0.000 0.000) 12.362 ======================= Grid point 5 (6/144) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( -11.906 0.000 0.000) 11.906 2.345 ( 11.906 0.000 0.000) 11.906 3.116 ( -23.696 0.000 0.000) 23.696 3.116 ( 23.696 0.000 0.000) 23.696 4.490 ( -3.222 0.000 0.000) 3.222 4.490 ( 3.222 0.000 0.000) 3.222 4.751 ( -8.040 0.000 0.000) 8.040 4.751 ( 8.040 0.000 0.000) 8.040 5.281 ( -8.903 0.000 0.000) 8.903 5.281 ( 8.903 0.000 0.000) 8.903 5.818 ( -14.621 0.000 0.000) 14.621 5.818 ( 14.621 0.000 0.000) 14.621 6.320 ( -5.316 0.000 0.000) 5.316 6.320 ( 5.316 0.000 0.000) 5.316 7.159 ( -0.411 0.000 0.000) 0.411 7.159 ( 0.411 0.000 0.000) 0.411 7.337 ( -4.009 0.000 0.000) 4.009 7.337 ( 4.009 0.000 0.000) 4.009 7.403 ( -15.223 0.000 0.000) 15.223 7.403 ( 15.223 0.000 0.000) 15.223 7.892 ( -3.467 0.000 0.000) 3.467 7.892 ( 3.467 0.000 0.000) 3.467 8.012 ( -7.963 0.000 0.000) 7.963 8.012 ( 7.963 0.000 0.000) 7.963 9.551 ( -10.605 0.000 0.000) 10.605 9.551 ( 10.605 0.000 0.000) 10.605 10.051 ( -9.985 0.000 0.000) 9.985 10.051 ( 9.985 0.000 0.000) 9.985 10.338 ( -5.092 0.000 0.000) 5.092 10.338 ( 5.092 0.000 0.000) 5.092 10.970 ( -3.140 0.000 0.000) 3.140 10.970 ( 3.140 0.000 0.000) 3.140 11.591 ( -2.179 0.000 0.000) 2.179 11.591 ( 2.179 0.000 0.000) 2.179 12.792 ( -1.157 0.000 0.000) 1.157 12.792 ( 1.157 0.000 0.000) 1.157 14.239 ( -6.051 0.000 0.000) 6.051 14.239 ( 6.051 0.000 0.000) 6.051 14.662 ( -9.031 0.000 0.000) 9.031 14.662 ( 9.031 0.000 0.000) 9.031 15.438 ( -7.505 0.000 0.000) 7.505 15.438 ( 7.505 0.000 0.000) 7.505 16.188 ( -2.721 0.000 0.000) 2.721 16.188 ( 2.721 0.000 0.000) 2.721 16.963 ( -3.129 0.000 0.000) 3.129 16.963 ( 3.129 0.000 0.000) 3.129 17.798 ( -15.333 0.000 0.000) 15.333 17.798 ( 15.333 0.000 0.000) 15.333 18.128 ( -3.047 0.000 0.000) 3.047 18.128 ( 3.047 0.000 0.000) 3.047 19.453 ( -3.593 0.000 0.000) 3.593 19.453 ( 3.593 0.000 0.000) 3.593 20.085 ( -5.762 0.000 0.000) 5.762 20.085 ( 5.762 0.000 0.000) 5.762 20.149 ( -5.435 0.000 0.000) 5.435 20.149 ( 5.435 0.000 0.000) 5.435 20.965 ( -15.521 0.000 0.000) 15.521 20.965 ( 15.521 0.000 0.000) 15.521 21.980 ( -11.890 0.000 0.000) 11.890 21.980 ( 11.890 0.000 0.000) 11.890 ======================= Grid point 11 (7/144) ======================= q-point: ( 0.00 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( 0.000 29.676 0.000) 29.676 0.747 ( 0.000 36.296 0.000) 36.296 1.016 ( 0.000 47.593 0.000) 47.593 2.600 ( 0.000 13.363 0.000) 13.363 3.015 ( 0.000 1.359 0.000) 1.359 4.422 ( 0.000 1.856 0.000) 1.856 4.529 ( 0.000 -6.558 0.000) 6.558 5.409 ( 0.000 -8.795 0.000) 8.795 5.573 ( 0.000 0.758 0.000) 0.758 5.604 ( 0.000 5.108 0.000) 5.108 5.700 ( 0.000 -4.665 0.000) 4.665 6.098 ( 0.000 19.150 0.000) 19.150 6.455 ( 0.000 -8.133 0.000) 8.133 6.584 ( 0.000 -19.975 0.000) 19.975 7.063 ( 0.000 1.749 0.000) 1.749 7.169 ( 0.000 -5.419 0.000) 5.419 7.502 ( 0.000 20.389 0.000) 20.389 7.585 ( 0.000 -6.340 0.000) 6.340 7.877 ( 0.000 7.132 0.000) 7.132 7.962 ( 0.000 -14.276 0.000) 14.276 8.189 ( 0.000 -4.704 0.000) 4.704 8.389 ( 0.000 5.184 0.000) 5.184 8.960 ( 0.000 0.866 0.000) 0.866 9.040 ( 0.000 -7.369 0.000) 7.369 9.127 ( 0.000 5.798 0.000) 5.798 9.205 ( 0.000 2.867 0.000) 2.867 9.254 ( 0.000 3.016 0.000) 3.016 9.642 ( 0.000 5.083 0.000) 5.083 10.319 ( 0.000 -0.178 0.000) 0.178 10.473 ( 0.000 -7.037 0.000) 7.037 10.511 ( 0.000 -7.474 0.000) 7.474 11.500 ( 0.000 -8.197 0.000) 8.197 11.589 ( 0.000 5.765 0.000) 5.765 11.753 ( 0.000 15.527 0.000) 15.527 12.894 ( 0.000 -1.308 0.000) 1.308 12.963 ( 0.000 2.236 0.000) 2.236 13.412 ( 0.000 4.515 0.000) 4.515 13.975 ( 0.000 2.993 0.000) 2.993 14.811 ( 0.000 3.330 0.000) 3.330 15.226 ( 0.000 -14.272 0.000) 14.272 15.595 ( 0.000 -18.551 0.000) 18.551 15.675 ( 0.000 2.552 0.000) 2.552 15.890 ( 0.000 9.430 0.000) 9.430 16.077 ( 0.000 -3.494 0.000) 3.494 16.437 ( 0.000 -2.276 0.000) 2.276 16.713 ( 0.000 -1.969 0.000) 1.969 17.161 ( 0.000 -3.103 0.000) 3.103 18.061 ( 0.000 0.075 0.000) 0.075 18.089 ( 0.000 7.171 0.000) 7.171 18.344 ( 0.000 -11.402 0.000) 11.402 19.071 ( 0.000 -17.870 0.000) 17.870 19.216 ( 0.000 6.544 0.000) 6.544 19.245 ( 0.000 1.780 0.000) 1.780 19.727 ( 0.000 -1.467 0.000) 1.467 20.024 ( 0.000 19.522 0.000) 19.522 20.482 ( 0.000 -2.270 0.000) 2.270 20.742 ( 0.000 0.612 0.000) 0.612 21.355 ( 0.000 -0.660 0.000) 0.660 22.770 ( 0.000 -1.353 0.000) 1.353 22.778 ( 0.000 -3.379 0.000) 3.379 ======================= Grid point 12 (8/144) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( 20.542 25.867 0.000) 33.032 1.008 ( 23.314 25.749 0.000) 34.735 1.610 ( 54.620 23.419 0.000) 59.429 2.654 ( 5.218 12.639 0.000) 13.674 3.074 ( 10.967 5.611 0.000) 12.319 4.400 ( -2.049 1.429 0.000) 2.498 4.583 ( 2.723 -13.109 0.000) 13.388 5.299 ( -12.090 -7.672 0.000) 14.319 5.432 ( -6.782 6.727 0.000) 9.552 5.539 ( -10.384 8.953 0.000) 13.710 5.677 ( -1.391 -1.913 0.000) 2.365 5.965 ( -7.975 14.383 0.000) 16.446 6.399 ( -5.965 -13.027 0.000) 14.328 6.543 ( 5.654 -8.611 0.000) 10.302 7.153 ( -2.101 -1.415 0.000) 2.533 7.237 ( 15.060 2.327 0.000) 15.239 7.386 ( -3.616 22.816 0.000) 23.101 7.706 ( 1.380 -7.516 0.000) 7.642 7.759 ( -10.099 6.831 0.000) 12.192 7.999 ( 1.673 -13.952 0.000) 14.052 8.049 ( -11.878 -4.001 0.000) 12.534 8.376 ( -16.897 10.944 0.000) 20.131 8.379 ( -1.502 3.142 0.000) 3.483 8.837 ( -15.572 2.489 0.000) 15.770 9.074 ( -5.799 -1.430 0.000) 5.973 9.352 ( 7.618 3.563 0.000) 8.410 9.565 ( 9.585 -7.619 0.000) 12.244 9.828 ( 8.877 2.323 0.000) 9.176 10.328 ( 0.510 -0.971 0.000) 1.096 10.522 ( 0.781 -7.541 0.000) 7.582 10.564 ( 8.260 -6.822 0.000) 10.713 11.414 ( -7.659 -3.429 0.000) 8.392 11.596 ( 0.684 5.996 0.000) 6.035 11.785 ( 2.523 12.089 0.000) 12.349 12.887 ( -0.427 -1.455 0.000) 1.516 13.385 ( -3.289 3.862 0.000) 5.073 13.828 ( 39.960 -35.574 0.000) 53.500 13.958 ( -1.280 3.020 0.000) 3.280 14.727 ( -6.785 3.612 0.000) 7.686 15.204 ( -2.111 -12.768 0.000) 12.941 15.597 ( -7.042 3.728 0.000) 7.967 15.638 ( 2.360 -19.291 0.000) 19.434 15.930 ( 3.407 7.838 0.000) 8.546 16.141 ( 4.186 -2.395 0.000) 4.822 16.469 ( 4.733 -2.560 0.000) 5.380 17.004 ( 21.536 -8.027 0.000) 22.983 17.123 ( -3.341 -2.633 0.000) 4.254 17.862 ( -14.107 14.984 0.000) 20.580 18.060 ( -0.138 -1.946 0.000) 1.951 18.401 ( 4.464 -11.006 0.000) 11.877 19.122 ( 5.417 -16.106 0.000) 16.993 19.224 ( 1.111 5.858 0.000) 5.963 19.484 ( 13.989 -17.411 0.000) 22.335 19.744 ( 1.748 -1.588 0.000) 2.361 19.967 ( -4.617 16.884 0.000) 17.504 20.523 ( 2.831 -1.567 0.000) 3.236 20.707 ( -2.990 1.935 0.000) 3.561 21.384 ( 2.907 -0.807 0.000) 3.017 22.318 ( -26.148 16.481 0.000) 30.909 22.773 ( -4.727 -0.077 0.000) 4.727 ======================= Grid point 13 (9/144) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 22.665 19.521 0.000) 29.913 1.518 ( 28.067 14.723 0.000) 31.695 2.723 ( 57.117 9.111 0.000) 57.839 2.767 ( 5.419 10.967 0.000) 12.233 3.409 ( 20.676 1.942 0.000) 20.767 4.362 ( -1.299 -0.087 0.000) 1.302 4.604 ( -0.158 -15.156 0.000) 15.157 5.001 ( -16.227 -0.755 0.000) 16.244 5.250 ( -12.424 10.096 0.000) 16.009 5.398 ( -2.117 8.375 0.000) 8.639 5.658 ( -1.663 -4.325 0.000) 4.634 5.860 ( -2.846 10.528 0.000) 10.906 6.368 ( 0.202 -12.600 0.000) 12.602 6.658 ( 6.749 -8.186 0.000) 10.610 7.071 ( -6.660 4.823 0.000) 8.223 7.354 ( -0.107 12.434 0.000) 12.434 7.414 ( -7.525 -0.615 0.000) 7.550 7.592 ( -12.107 -9.129 0.000) 15.163 7.621 ( 4.533 7.487 0.000) 8.752 7.873 ( -4.611 -0.248 0.000) 4.617 7.951 ( -8.549 -10.807 0.000) 13.780 8.167 ( -7.758 5.615 0.000) 9.576 8.328 ( -3.621 -0.894 0.000) 3.730 8.551 ( -12.558 4.507 0.000) 13.343 8.981 ( -1.528 -1.021 0.000) 1.838 9.511 ( 8.615 3.841 0.000) 9.432 9.726 ( 6.369 -7.155 0.000) 9.579 9.950 ( 5.644 1.214 0.000) 5.773 10.323 ( -1.199 -1.928 0.000) 2.270 10.525 ( -0.573 -6.917 0.000) 6.941 10.738 ( 8.817 -6.697 0.000) 11.072 11.241 ( -9.903 0.917 0.000) 9.945 11.613 ( 0.969 6.869 0.000) 6.937 11.816 ( 0.378 10.253 0.000) 10.260 12.875 ( -0.827 -0.714 0.000) 1.093 13.268 ( -9.013 2.579 0.000) 9.375 13.956 ( 1.777 3.154 0.000) 3.620 14.234 ( 8.718 -18.998 0.000) 20.903 14.609 ( -4.709 3.369 0.000) 5.790 15.147 ( -4.031 -9.678 0.000) 10.484 15.442 ( -8.155 4.796 0.000) 9.460 15.656 ( -0.641 -16.720 0.000) 16.732 16.004 ( 4.198 5.826 0.000) 7.181 16.206 ( 2.703 -1.466 0.000) 3.075 16.603 ( 8.324 -0.607 0.000) 8.346 17.059 ( -2.870 -1.912 0.000) 3.448 17.300 ( 7.294 4.389 0.000) 8.513 17.740 ( 3.173 3.941 0.000) 5.060 18.051 ( -1.130 -6.468 0.000) 6.565 18.453 ( 0.018 -7.287 0.000) 7.288 19.258 ( 2.573 4.856 0.000) 5.496 19.270 ( 9.065 -12.743 0.000) 15.639 19.655 ( 4.863 -20.521 0.000) 21.089 19.795 ( 3.590 -2.073 0.000) 4.146 19.899 ( -1.536 10.281 0.000) 10.395 20.515 ( -4.528 -2.344 0.000) 5.099 20.683 ( 1.433 6.099 0.000) 6.265 21.462 ( 5.112 -1.153 0.000) 5.240 21.929 ( -15.890 13.753 0.000) 21.015 22.638 ( -9.066 -0.193 0.000) 9.068 ======================= Grid point 14 (10/144) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 21.151 14.477 0.000) 25.631 2.044 ( 26.047 7.871 0.000) 27.210 2.827 ( 0.525 9.562 0.000) 9.576 3.659 ( 22.072 -2.140 0.000) 22.175 3.732 ( 23.559 1.859 0.000) 23.632 4.363 ( 1.068 -4.073 0.000) 4.211 4.641 ( 7.458 -8.823 0.000) 11.552 4.761 ( -7.153 6.068 0.000) 9.381 5.097 ( -2.228 8.359 0.000) 8.651 5.387 ( 0.943 6.008 0.000) 6.082 5.573 ( -7.015 -5.175 0.000) 8.717 5.866 ( 2.761 7.042 0.000) 7.564 6.372 ( 0.128 -7.346 0.000) 7.347 6.802 ( 7.623 -7.507 0.000) 10.698 6.918 ( -7.456 3.427 0.000) 8.206 7.106 ( -19.737 2.950 0.000) 19.956 7.340 ( -4.791 1.757 0.000) 5.103 7.395 ( -3.455 -4.629 0.000) 5.777 7.698 ( -12.964 -2.983 0.000) 13.303 7.732 ( -0.125 -1.030 0.000) 1.038 7.834 ( -0.227 0.405 0.000) 0.465 8.047 ( -4.562 7.162 0.000) 8.492 8.218 ( -8.355 -1.844 0.000) 8.556 8.361 ( -7.814 3.382 0.000) 8.514 9.067 ( 9.827 -1.935 0.000) 10.015 9.667 ( 7.233 1.337 0.000) 7.355 9.774 ( -1.251 -4.305 0.000) 4.483 10.045 ( 2.517 -7.832 0.000) 8.227 10.297 ( -0.645 -0.681 0.000) 0.938 10.517 ( 0.457 -2.992 0.000) 3.027 10.876 ( 5.220 -6.820 0.000) 8.588 11.051 ( -9.304 2.861 0.000) 9.733 11.632 ( 1.092 8.398 0.000) 8.469 11.797 ( -2.183 9.753 0.000) 9.994 12.854 ( -1.395 0.793 0.000) 1.605 13.065 ( -10.879 2.154 0.000) 11.091 14.028 ( 5.332 3.011 0.000) 6.124 14.304 ( 0.469 -8.891 0.000) 8.903 14.560 ( -0.458 3.922 0.000) 3.948 15.032 ( -8.187 -5.482 0.000) 9.853 15.326 ( -3.196 3.320 0.000) 4.609 15.609 ( -4.235 -12.969 0.000) 13.643 16.086 ( 4.242 4.250 0.000) 6.005 16.244 ( 1.165 -0.634 0.000) 1.327 16.763 ( 7.848 1.326 0.000) 7.960 17.019 ( -1.447 -1.343 0.000) 1.974 17.372 ( 3.671 4.746 0.000) 6.000 17.903 ( 10.503 1.205 0.000) 10.572 18.002 ( -4.415 -11.615 0.000) 12.425 18.404 ( -4.294 1.028 0.000) 4.415 19.323 ( 4.095 4.192 0.000) 5.861 19.423 ( 6.023 -8.049 0.000) 10.053 19.714 ( 2.033 -19.957 0.000) 20.060 19.882 ( 5.500 -2.223 0.000) 5.933 19.910 ( 1.562 -2.623 0.000) 3.053 20.398 ( -6.635 -0.694 0.000) 6.671 20.739 ( 4.412 9.357 0.000) 10.345 21.581 ( 7.431 -1.534 0.000) 7.587 21.654 ( -13.700 10.030 0.000) 16.979 22.436 ( -11.711 -0.837 0.000) 11.741 ======================= Grid point 15 (11/144) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( 16.778 11.104 0.000) 20.120 2.457 ( 12.733 4.209 0.000) 13.411 2.837 ( 5.124 8.332 0.000) 9.782 3.526 ( -17.659 -2.014 0.000) 17.773 4.244 ( 15.548 -4.543 0.000) 16.198 4.379 ( 0.551 -7.781 0.000) 7.800 4.752 ( 5.142 9.966 0.000) 11.214 4.864 ( 9.096 1.730 0.000) 9.259 5.136 ( 4.707 3.638 0.000) 5.949 5.417 ( -8.695 -3.451 0.000) 9.355 5.494 ( 12.883 2.362 0.000) 13.097 5.922 ( 1.568 2.959 0.000) 3.349 6.360 ( -1.804 0.250 0.000) 1.821 6.657 ( -21.480 1.628 0.000) 21.542 6.901 ( 7.941 -3.398 0.000) 8.637 6.986 ( 7.055 -4.854 0.000) 8.564 7.251 ( -2.379 -8.424 0.000) 8.754 7.373 ( -1.344 4.452 0.000) 4.650 7.464 ( -9.481 -0.255 0.000) 9.485 7.634 ( -11.524 -5.635 0.000) 12.828 7.859 ( 2.631 0.648 0.000) 2.710 8.007 ( 0.774 7.920 0.000) 7.958 8.043 ( -8.280 1.423 0.000) 8.401 8.222 ( -7.384 4.183 0.000) 8.486 9.297 ( 12.792 -2.509 0.000) 13.036 9.694 ( -6.700 -2.646 0.000) 7.203 9.783 ( 5.240 -5.607 0.000) 7.674 10.012 ( -5.219 -13.209 0.000) 14.203 10.331 ( 4.510 3.875 0.000) 5.946 10.530 ( -0.859 3.289 0.000) 3.400 10.917 ( -3.612 -0.427 0.000) 3.637 10.932 ( 0.649 -6.909 0.000) 6.939 11.656 ( 1.452 9.717 0.000) 9.825 11.744 ( -3.025 9.700 0.000) 10.161 12.826 ( -1.309 2.308 0.000) 2.653 12.892 ( -6.563 2.595 0.000) 7.058 14.140 ( 5.779 2.139 0.000) 6.162 14.289 ( -1.780 -4.086 0.000) 4.457 14.588 ( 3.423 4.486 0.000) 5.642 14.855 ( -9.492 -0.920 0.000) 9.537 15.317 ( 1.889 -0.671 0.000) 2.005 15.503 ( -6.312 -8.912 0.000) 10.921 16.162 ( 3.566 3.140 0.000) 4.751 16.249 ( -0.668 0.785 0.000) 1.031 16.890 ( 5.266 1.521 0.000) 5.481 16.996 ( -1.131 -0.620 0.000) 1.290 17.488 ( 8.348 -2.238 0.000) 8.643 17.872 ( -9.006 -12.729 0.000) 15.593 18.087 ( 8.313 3.757 0.000) 9.122 18.315 ( -4.687 6.347 0.000) 7.890 19.409 ( 4.557 3.800 0.000) 5.934 19.492 ( 1.342 -2.641 0.000) 2.963 19.755 ( 2.641 -20.146 0.000) 20.318 19.904 ( -2.829 -14.435 0.000) 14.710 20.005 ( 7.164 -2.226 0.000) 7.502 20.276 ( -6.233 -0.600 0.000) 6.262 20.876 ( 10.159 11.988 0.000) 15.714 21.387 ( -14.189 9.608 0.000) 17.136 21.748 ( 9.984 -1.799 0.000) 10.145 22.199 ( -12.659 -1.466 0.000) 12.743 ======================= Grid point 16 (12/144) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( -9.537 8.151 0.000) 12.546 2.436 ( 9.537 8.151 0.000) 12.546 3.134 ( -21.046 1.927 0.000) 21.134 3.134 ( 21.046 1.927 0.000) 21.134 4.381 ( -0.495 -7.404 0.000) 7.420 4.381 ( 0.495 -7.404 0.000) 7.420 4.876 ( -1.764 8.142 0.000) 8.330 4.876 ( 1.764 8.142 0.000) 8.330 5.256 ( -6.065 -1.115 0.000) 6.167 5.256 ( 6.065 -1.115 0.000) 6.167 5.819 ( -14.732 0.609 0.000) 14.745 5.819 ( 14.732 0.609 0.000) 14.745 6.361 ( -3.293 3.426 0.000) 4.752 6.361 ( 3.293 3.426 0.000) 4.752 7.076 ( -0.045 -7.307 0.000) 7.307 7.076 ( 0.045 -7.307 0.000) 7.307 7.310 ( -10.313 -4.881 0.000) 11.410 7.310 ( 10.313 -4.881 0.000) 11.410 7.381 ( -2.963 0.538 0.000) 3.012 7.381 ( 2.963 0.538 0.000) 3.012 7.925 ( -0.858 3.278 0.000) 3.389 7.925 ( 0.858 3.278 0.000) 3.389 8.082 ( -5.901 5.297 0.000) 7.930 8.082 ( 5.901 5.297 0.000) 7.930 9.526 ( -10.620 -2.303 0.000) 10.866 9.526 ( 10.620 -2.303 0.000) 10.866 9.891 ( -1.574 -11.638 0.000) 11.744 9.891 ( 1.574 -11.638 0.000) 11.744 10.449 ( -1.135 6.781 0.000) 6.876 10.449 ( 1.135 6.781 0.000) 6.876 10.914 ( -0.417 -5.693 0.000) 5.708 10.914 ( 0.417 -5.693 0.000) 5.708 11.691 ( -0.836 9.967 0.000) 10.002 11.691 ( 0.836 9.967 0.000) 10.002 12.820 ( -0.326 2.925 0.000) 2.943 12.820 ( 0.326 2.925 0.000) 2.943 14.235 ( -1.213 -0.227 0.000) 1.234 14.235 ( 1.213 -0.227 0.000) 1.234 14.691 ( -5.114 2.524 0.000) 5.703 14.691 ( 5.114 2.524 0.000) 5.703 15.388 ( -5.118 -4.843 0.000) 7.046 15.388 ( 5.118 -4.843 0.000) 7.046 16.219 ( -0.854 2.110 0.000) 2.276 16.219 ( 0.854 2.110 0.000) 2.276 16.964 ( -2.297 0.485 0.000) 2.348 16.964 ( 2.297 0.485 0.000) 2.348 17.676 ( -9.355 -8.468 0.000) 12.619 17.676 ( 9.355 -8.468 0.000) 12.619 18.220 ( -1.035 5.935 0.000) 6.025 18.220 ( 1.035 5.935 0.000) 6.025 19.480 ( -1.371 1.711 0.000) 2.193 19.480 ( 1.371 1.711 0.000) 2.193 19.824 ( -1.164 -19.001 0.000) 19.037 19.824 ( 1.164 -19.001 0.000) 19.037 20.147 ( -5.282 -1.810 0.000) 5.584 20.147 ( 5.282 -1.810 0.000) 5.584 21.114 ( -7.891 11.030 0.000) 13.562 21.114 ( 7.891 11.030 0.000) 13.562 21.961 ( -11.267 -1.810 0.000) 11.412 21.961 ( 11.267 -1.810 0.000) 11.412 ======================= Grid point 22 (13/144) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 0.000 27.165 0.000) 27.165 1.471 ( 0.000 34.600 0.000) 34.600 1.894 ( 0.000 37.504 0.000) 37.504 2.964 ( 0.000 21.227 0.000) 21.227 3.044 ( 0.000 1.200 0.000) 1.200 4.346 ( 0.000 -11.072 0.000) 11.072 4.418 ( 0.000 -3.484 0.000) 3.484 5.314 ( 0.000 0.489 0.000) 0.489 5.570 ( 0.000 -7.848 0.000) 7.848 5.583 ( 0.000 -0.238 0.000) 0.238 5.730 ( 0.000 6.611 0.000) 6.611 6.238 ( 0.000 -12.557 0.000) 12.557 6.265 ( 0.000 -9.726 0.000) 9.726 6.530 ( 0.000 22.302 0.000) 22.302 7.023 ( 0.000 -8.281 0.000) 8.281 7.123 ( 0.000 4.215 0.000) 4.215 7.428 ( 0.000 -8.318 0.000) 8.318 7.670 ( 0.000 -13.514 0.000) 13.514 7.853 ( 0.000 10.130 0.000) 10.130 8.033 ( 0.000 6.259 0.000) 6.259 8.089 ( 0.000 -0.999 0.000) 0.999 8.439 ( 0.000 0.103 0.000) 0.103 8.871 ( 0.000 -8.332 0.000) 8.332 8.978 ( 0.000 0.582 0.000) 0.582 9.267 ( 0.000 7.059 0.000) 7.059 9.287 ( 0.000 5.035 0.000) 5.035 9.298 ( 0.000 1.240 0.000) 1.240 9.748 ( 0.000 4.273 0.000) 4.273 10.291 ( 0.000 -10.062 0.000) 10.062 10.301 ( 0.000 -1.921 0.000) 1.921 10.368 ( 0.000 -5.387 0.000) 5.387 11.297 ( 0.000 -10.693 0.000) 10.693 11.782 ( 0.000 13.554 0.000) 13.554 12.134 ( 0.000 20.593 0.000) 20.593 12.860 ( 0.000 -1.850 0.000) 1.850 13.005 ( 0.000 1.389 0.000) 1.389 13.546 ( 0.000 8.472 0.000) 8.472 14.041 ( 0.000 2.678 0.000) 2.678 14.895 ( 0.000 -17.579 0.000) 17.579 14.910 ( 0.000 6.314 0.000) 6.314 15.104 ( 0.000 -28.469 0.000) 28.469 15.749 ( 0.000 4.629 0.000) 4.629 15.970 ( 0.000 -6.500 0.000) 6.500 16.067 ( 0.000 7.434 0.000) 7.434 16.375 ( 0.000 -3.594 0.000) 3.594 16.636 ( 0.000 -5.633 0.000) 5.633 17.079 ( 0.000 -4.511 0.000) 4.511 18.029 ( 0.000 -18.241 0.000) 18.241 18.064 ( 0.000 0.227 0.000) 0.227 18.298 ( 0.000 12.916 0.000) 12.916 18.748 ( 0.000 -13.781 0.000) 13.781 19.293 ( 0.000 2.668 0.000) 2.668 19.375 ( 0.000 8.194 0.000) 8.194 19.684 ( 0.000 -2.721 0.000) 2.721 20.382 ( 0.000 14.454 0.000) 14.454 20.428 ( 0.000 -2.685 0.000) 2.685 20.761 ( 0.000 1.503 0.000) 1.503 21.333 ( 0.000 -1.567 0.000) 1.567 22.691 ( 0.000 -4.798 0.000) 4.798 22.730 ( 0.000 -2.509 0.000) 2.509 ======================= Grid point 23 (14/144) ======================= q-point: ( 0.10 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 19.284 23.076 0.000) 30.073 1.597 ( 12.346 30.384 0.000) 32.796 2.182 ( 31.313 29.065 0.000) 42.723 2.999 ( 3.323 20.104 0.000) 20.377 3.153 ( 11.268 2.206 0.000) 11.482 4.340 ( -0.473 -11.462 0.000) 11.471 4.386 ( -3.115 -3.809 0.000) 4.920 5.231 ( -8.157 1.586 0.000) 8.309 5.561 ( -2.251 4.569 0.000) 5.093 5.563 ( -0.788 -7.615 0.000) 7.656 5.677 ( -6.117 5.726 0.000) 8.379 6.163 ( -5.629 -7.188 0.000) 9.129 6.274 ( 1.244 -1.209 0.000) 1.734 6.377 ( -8.289 8.294 0.000) 11.726 7.036 ( 0.500 -7.779 0.000) 7.796 7.309 ( 12.676 4.512 0.000) 13.455 7.500 ( 3.719 -10.321 0.000) 10.971 7.683 ( 1.134 -14.448 0.000) 14.493 7.784 ( -7.007 6.697 0.000) 9.693 7.939 ( -8.099 7.810 0.000) 11.251 7.989 ( -9.183 4.676 0.000) 10.305 8.397 ( -4.218 -0.941 0.000) 4.322 8.609 ( -20.828 10.627 0.000) 23.382 8.803 ( -6.937 -5.081 0.000) 8.598 9.132 ( -9.794 6.121 0.000) 11.550 9.403 ( 7.814 0.934 0.000) 7.870 9.446 ( 8.171 -3.706 0.000) 8.972 9.861 ( 5.994 -0.100 0.000) 5.995 10.284 ( -1.030 -4.139 0.000) 4.265 10.387 ( 7.892 -9.153 0.000) 12.086 10.392 ( 2.108 -3.979 0.000) 4.503 11.266 ( -3.161 -9.205 0.000) 9.733 11.801 ( 1.860 14.316 0.000) 14.436 12.131 ( -0.068 19.650 0.000) 19.650 12.852 ( 0.150 -1.642 0.000) 1.649 13.402 ( 30.499 -10.599 0.000) 32.288 13.495 ( -5.458 6.684 0.000) 8.629 14.027 ( -0.839 3.210 0.000) 3.318 14.825 ( -6.982 5.990 0.000) 9.199 14.912 ( 1.519 -15.319 0.000) 15.395 15.138 ( 2.831 -28.502 0.000) 28.643 15.683 ( -6.309 4.809 0.000) 7.933 16.037 ( 4.523 -7.258 0.000) 8.551 16.089 ( 1.923 6.930 0.000) 7.192 16.411 ( 5.904 -2.930 0.000) 6.591 16.864 ( 20.643 -7.041 0.000) 21.811 17.054 ( -2.260 -3.797 0.000) 4.419 17.935 ( -5.050 -12.335 0.000) 13.329 18.163 ( -12.179 15.356 0.000) 19.599 18.191 ( 7.957 -6.026 0.000) 9.981 18.815 ( 6.532 -14.026 0.000) 15.472 19.316 ( 1.082 -0.488 0.000) 1.187 19.383 ( 1.261 6.323 0.000) 6.447 19.700 ( 1.653 -2.574 0.000) 3.060 20.244 ( -8.446 8.641 0.000) 12.083 20.508 ( 1.942 0.846 0.000) 2.118 20.763 ( 1.080 3.802 0.000) 3.953 21.358 ( 2.550 -1.760 0.000) 3.099 22.454 ( -17.240 1.098 0.000) 17.275 22.744 ( -3.400 -2.864 0.000) 4.445 ======================= Grid point 24 (15/144) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( 17.587 20.881 0.000) 27.301 1.902 ( 18.339 21.754 0.000) 28.453 2.969 ( 44.929 13.747 0.000) 46.985 3.066 ( 2.794 17.314 0.000) 17.538 3.438 ( 16.391 0.442 0.000) 16.397 4.316 ( -3.674 -4.611 0.000) 5.896 4.346 ( 2.209 -9.930 0.000) 10.173 5.044 ( -9.840 4.924 0.000) 11.003 5.437 ( -10.906 8.012 0.000) 13.533 5.533 ( -2.555 -6.770 0.000) 7.237 5.582 ( -1.717 8.912 0.000) 9.076 6.137 ( 2.233 -7.775 0.000) 8.089 6.151 ( -7.050 16.699 0.000) 18.127 6.441 ( 8.133 -12.249 0.000) 14.704 7.022 ( -2.502 -6.462 0.000) 6.929 7.393 ( -6.498 -1.488 0.000) 6.666 7.400 ( -14.107 -9.600 0.000) 17.063 7.679 ( -3.304 7.152 0.000) 7.879 7.692 ( -1.366 -13.193 0.000) 13.264 7.818 ( -6.055 4.106 0.000) 7.316 7.825 ( -2.426 11.329 0.000) 11.585 8.293 ( -6.105 -2.562 0.000) 6.620 8.339 ( -8.513 9.801 0.000) 12.982 8.629 ( -10.020 2.755 0.000) 10.391 8.978 ( -4.156 0.673 0.000) 4.211 9.562 ( 7.574 0.370 0.000) 7.583 9.586 ( 6.168 -6.204 0.000) 8.749 9.905 ( -0.873 -5.764 0.000) 5.830 10.257 ( -1.306 -4.815 0.000) 4.989 10.434 ( 2.187 -1.251 0.000) 2.519 10.548 ( 7.968 -10.738 0.000) 13.372 11.180 ( -5.762 -5.815 0.000) 8.186 11.850 ( 3.126 16.296 0.000) 16.593 12.119 ( -1.539 17.526 0.000) 17.593 12.867 ( 1.368 0.441 0.000) 1.437 13.338 ( -10.474 4.012 0.000) 11.216 13.894 ( 18.751 -13.078 0.000) 22.861 14.035 ( 2.085 4.206 0.000) 4.694 14.700 ( -5.107 5.729 0.000) 7.675 14.936 ( 0.339 -10.845 0.000) 10.850 15.196 ( 2.954 -27.029 0.000) 27.190 15.536 ( -8.330 4.635 0.000) 9.533 16.102 ( 2.716 -8.469 0.000) 8.894 16.131 ( 2.296 5.566 0.000) 6.021 16.593 ( 11.512 -0.166 0.000) 11.514 17.011 ( -1.779 -2.407 0.000) 2.993 17.299 ( 21.182 -5.140 0.000) 21.797 17.842 ( -4.826 -13.087 0.000) 13.948 17.924 ( -10.130 13.922 0.000) 17.217 18.330 ( 5.914 -4.187 0.000) 7.246 18.974 ( 9.243 -15.398 0.000) 17.960 19.318 ( -0.305 -4.919 0.000) 4.928 19.415 ( 1.520 2.530 0.000) 2.951 19.747 ( 3.312 -2.490 0.000) 4.144 20.089 ( -7.563 7.335 0.000) 10.536 20.474 ( -4.558 -1.570 0.000) 4.821 20.821 ( 4.685 7.146 0.000) 8.545 21.427 ( 4.591 -2.228 0.000) 5.103 22.118 ( -16.737 5.112 0.000) 17.500 22.616 ( -9.284 -2.196 0.000) 9.540 ======================= Grid point 25 (16/144) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( 16.911 17.137 0.000) 24.076 2.264 ( 18.539 13.191 0.000) 22.753 3.084 ( -0.998 14.562 0.000) 14.596 3.580 ( 5.752 -5.819 0.000) 8.182 3.802 ( 27.679 5.094 0.000) 28.144 4.259 ( -2.147 -5.520 0.000) 5.923 4.506 ( 16.232 -4.136 0.000) 16.751 4.910 ( -3.221 7.047 0.000) 7.748 5.258 ( -5.465 7.317 0.000) 9.132 5.464 ( -4.425 -4.095 0.000) 6.029 5.568 ( -0.147 11.322 0.000) 11.323 6.062 ( -2.533 11.698 0.000) 11.969 6.224 ( 6.666 -5.590 0.000) 8.700 6.604 ( 7.931 -10.952 0.000) 13.522 6.908 ( -9.331 -3.817 0.000) 10.082 7.143 ( -9.413 -11.536 0.000) 14.889 7.148 ( -16.302 0.573 0.000) 16.312 7.590 ( -8.616 -7.684 0.000) 11.545 7.594 ( -4.634 11.574 0.000) 12.468 7.761 ( -6.317 4.767 0.000) 7.913 7.791 ( 1.967 -2.464 0.000) 3.153 8.169 ( -6.583 -3.110 0.000) 7.281 8.225 ( -4.278 8.900 0.000) 9.875 8.455 ( -8.047 5.699 0.000) 9.860 9.020 ( 8.125 -2.841 0.000) 8.607 9.652 ( 1.316 -3.426 0.000) 3.670 9.661 ( 1.166 -6.311 0.000) 6.418 9.846 ( -5.009 -10.882 0.000) 11.979 10.269 ( 3.531 -2.364 0.000) 4.249 10.484 ( 3.224 -0.202 0.000) 3.231 10.672 ( 4.690 -11.880 0.000) 12.773 11.047 ( -7.985 -2.997 0.000) 8.529 11.912 ( 2.983 18.310 0.000) 18.551 12.071 ( -3.218 15.574 0.000) 15.903 12.897 ( 1.370 3.895 0.000) 4.129 13.129 ( -10.295 3.915 0.000) 11.015 14.105 ( 4.757 4.161 0.000) 6.319 14.135 ( 7.456 -7.144 0.000) 10.326 14.648 ( -0.151 5.023 0.000) 5.025 14.909 ( -3.217 -6.489 0.000) 7.242 15.238 ( 1.182 -22.528 0.000) 22.559 15.388 ( -6.568 2.799 0.000) 7.139 16.153 ( 2.558 -8.493 0.000) 8.870 16.174 ( 2.122 3.238 0.000) 3.872 16.807 ( 10.000 2.870 0.000) 10.404 16.992 ( -0.175 -0.711 0.000) 0.732 17.519 ( 0.472 7.631 0.000) 7.646 17.746 ( -5.290 -12.387 0.000) 13.469 17.912 ( 10.049 0.501 0.000) 10.062 18.403 ( 1.577 -1.036 0.000) 1.887 19.140 ( 7.481 -17.318 0.000) 18.864 19.317 ( 0.227 -13.705 0.000) 13.707 19.444 ( 1.932 4.120 0.000) 4.551 19.829 ( 5.240 -2.700 0.000) 5.895 19.949 ( -7.319 4.529 0.000) 8.607 20.366 ( -6.296 -2.016 0.000) 6.611 20.933 ( 7.101 8.867 0.000) 11.360 21.537 ( 6.949 -2.780 0.000) 7.485 21.822 ( -14.250 5.944 0.000) 15.440 22.405 ( -12.385 -2.373 0.000) 12.610 ======================= Grid point 26 (17/144) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.439 ( 13.190 13.563 0.000) 18.919 2.572 ( 11.725 6.996 0.000) 13.654 3.060 ( 0.666 12.483 0.000) 12.501 3.470 ( -12.542 -3.329 0.000) 12.977 4.172 ( 10.030 -1.723 0.000) 10.177 4.240 ( 0.214 -5.608 0.000) 5.612 4.834 ( 11.483 -4.039 0.000) 12.172 4.912 ( 2.165 3.545 0.000) 4.154 5.285 ( 6.749 9.486 0.000) 11.642 5.380 ( -3.646 2.152 0.000) 4.234 5.607 ( 7.090 9.382 0.000) 11.760 6.024 ( -2.764 7.165 0.000) 7.679 6.360 ( 5.150 0.175 0.000) 5.153 6.646 ( -8.901 -3.853 0.000) 9.700 6.799 ( 2.363 -6.289 0.000) 6.719 6.891 ( -4.342 -3.152 0.000) 5.365 7.039 ( -1.908 -11.235 0.000) 11.395 7.440 ( -5.602 -4.304 0.000) 7.064 7.506 ( -4.678 7.162 0.000) 8.554 7.541 ( -16.100 -0.179 0.000) 16.101 7.874 ( 6.334 0.417 0.000) 6.348 8.071 ( -3.556 0.692 0.000) 3.623 8.166 ( -1.719 7.028 0.000) 7.235 8.305 ( -7.817 3.368 0.000) 8.512 9.231 ( 12.463 -3.658 0.000) 12.989 9.622 ( -5.401 -4.364 0.000) 6.944 9.638 ( -1.213 -8.398 0.000) 8.485 9.733 ( -5.916 -13.496 0.000) 14.735 10.394 ( 8.658 1.594 0.000) 8.803 10.551 ( 3.133 -0.736 0.000) 3.219 10.727 ( 1.232 -11.928 0.000) 11.992 10.880 ( -9.003 -3.164 0.000) 9.543 11.955 ( 1.506 18.631 0.000) 18.692 12.012 ( -2.586 15.422 0.000) 15.637 12.912 ( 0.312 6.517 0.000) 6.524 12.975 ( -5.315 5.610 0.000) 7.728 14.195 ( 3.952 2.995 0.000) 4.958 14.221 ( 2.374 -2.321 0.000) 3.320 14.681 ( 2.969 4.372 0.000) 5.285 14.827 ( -4.716 -2.077 0.000) 5.153 15.243 ( -0.312 -16.079 0.000) 16.082 15.290 ( -3.673 -1.800 0.000) 4.090 16.196 ( 1.783 -6.768 0.000) 6.999 16.207 ( 1.209 0.027 0.000) 1.209 16.955 ( 5.135 4.708 0.000) 6.967 17.000 ( 0.733 1.610 0.000) 1.770 17.497 ( 0.003 3.673 0.000) 3.673 17.639 ( -5.653 -9.386 0.000) 10.957 18.137 ( 10.841 0.328 0.000) 10.846 18.392 ( -2.630 1.372 0.000) 2.966 19.250 ( 4.096 -18.662 0.000) 19.106 19.320 ( -0.219 -19.702 0.000) 19.703 19.509 ( 5.176 5.046 0.000) 7.228 19.799 ( -8.335 2.389 0.000) 8.670 19.948 ( 7.098 -2.989 0.000) 7.701 20.238 ( -7.120 -2.572 0.000) 7.570 21.100 ( 10.234 9.326 0.000) 13.846 21.562 ( -13.073 6.773 0.000) 14.723 21.697 ( 9.758 -3.192 0.000) 10.267 22.155 ( -13.265 -2.860 0.000) 13.570 ======================= Grid point 27 (18/144) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.628 ( -4.410 9.554 0.000) 10.523 2.628 ( 4.410 9.554 0.000) 10.523 3.200 ( -12.350 4.491 0.000) 13.141 3.200 ( 12.350 4.491 0.000) 13.141 4.251 ( -0.002 -4.734 0.000) 4.734 4.251 ( 0.002 -4.734 0.000) 4.734 4.934 ( -0.042 -3.639 0.000) 3.639 4.934 ( 0.042 -3.639 0.000) 3.639 5.344 ( -0.022 10.612 0.000) 10.613 5.344 ( 0.022 10.612 0.000) 10.613 5.872 ( -14.609 5.186 0.000) 15.502 5.872 ( 14.609 5.186 0.000) 15.502 6.433 ( -3.985 3.298 0.000) 5.173 6.433 ( 3.985 3.298 0.000) 5.173 6.892 ( -0.017 -10.140 0.000) 10.140 6.892 ( 0.017 -10.140 0.000) 10.140 7.171 ( -16.569 -7.489 0.000) 18.183 7.171 ( 16.569 -7.489 0.000) 18.183 7.430 ( -0.335 3.897 0.000) 3.912 7.430 ( 0.335 3.897 0.000) 3.912 7.998 ( -0.696 2.902 0.000) 2.985 7.998 ( 0.696 2.902 0.000) 2.985 8.179 ( -3.829 3.540 0.000) 5.215 8.179 ( 3.829 3.540 0.000) 5.215 9.460 ( -7.765 -4.171 0.000) 8.815 9.460 ( 7.765 -4.171 0.000) 8.815 9.648 ( -0.376 -11.575 0.000) 11.581 9.648 ( 0.376 -11.575 0.000) 11.581 10.548 ( -0.563 2.685 0.000) 2.744 10.548 ( 0.563 2.685 0.000) 2.744 10.749 ( -0.447 -9.553 0.000) 9.564 10.749 ( 0.447 -9.553 0.000) 9.564 11.977 ( -0.116 17.022 0.000) 17.022 11.977 ( 0.116 17.022 0.000) 17.022 12.920 ( -0.119 7.032 0.000) 7.033 12.920 ( 0.119 7.032 0.000) 7.033 14.239 ( -0.017 0.733 0.000) 0.733 14.239 ( 0.017 0.733 0.000) 0.733 14.746 ( -0.821 2.164 0.000) 2.315 14.746 ( 0.821 2.164 0.000) 2.315 15.246 ( -0.949 -8.669 0.000) 8.721 15.246 ( 0.949 -8.669 0.000) 8.721 16.216 ( -0.004 -3.619 0.000) 3.619 16.216 ( 0.004 -3.619 0.000) 3.619 17.006 ( -0.040 4.065 0.000) 4.066 17.006 ( 0.040 4.065 0.000) 4.066 17.540 ( -3.646 -3.911 0.000) 5.347 17.540 ( 3.646 -3.911 0.000) 5.347 18.304 ( -1.189 1.824 0.000) 2.177 18.304 ( 1.189 1.824 0.000) 2.177 19.303 ( -0.243 -19.704 0.000) 19.705 19.303 ( 0.243 -19.704 0.000) 19.705 19.639 ( -5.696 2.844 0.000) 6.367 19.639 ( 5.696 2.844 0.000) 6.367 20.093 ( -4.288 -3.014 0.000) 5.241 20.093 ( 4.288 -3.014 0.000) 5.241 21.318 ( -5.810 8.235 0.000) 10.078 21.318 ( 5.810 8.235 0.000) 10.078 21.909 ( -10.779 -3.228 0.000) 11.252 21.909 ( 10.779 -3.228 0.000) 11.252 ======================= Grid point 33 (19/144) ======================= q-point: ( 0.00 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( 0.000 23.582 0.000) 23.582 2.148 ( 0.000 31.652 0.000) 31.652 2.505 ( 0.000 21.425 0.000) 21.425 3.060 ( 0.000 1.029 0.000) 1.029 3.406 ( 0.000 19.841 0.000) 19.841 4.088 ( 0.000 -14.084 0.000) 14.084 4.287 ( 0.000 -7.239 0.000) 7.239 5.385 ( 0.000 -10.477 0.000) 10.477 5.416 ( 0.000 7.906 0.000) 7.906 5.571 ( 0.000 0.080 0.000) 0.080 5.841 ( 0.000 3.393 0.000) 3.393 5.971 ( 0.000 -12.886 0.000) 12.886 6.216 ( 0.000 4.065 0.000) 4.065 6.856 ( 0.000 -7.580 0.000) 7.580 6.948 ( 0.000 16.454 0.000) 16.454 7.233 ( 0.000 6.428 0.000) 6.428 7.278 ( 0.000 -5.587 0.000) 5.587 7.466 ( 0.000 -4.475 0.000) 4.475 7.776 ( 0.000 -10.404 0.000) 10.404 8.034 ( 0.000 -7.955 0.000) 7.955 8.297 ( 0.000 14.430 0.000) 14.430 8.420 ( 0.000 -1.051 0.000) 1.051 8.768 ( 0.000 -0.608 0.000) 0.608 8.973 ( 0.000 -1.307 0.000) 1.307 9.302 ( 0.000 -0.787 0.000) 0.787 9.383 ( 0.000 3.818 0.000) 3.818 9.397 ( 0.000 5.347 0.000) 5.347 9.782 ( 0.000 -1.281 0.000) 1.281 10.099 ( 0.000 -7.924 0.000) 7.924 10.234 ( 0.000 -4.683 0.000) 4.683 10.325 ( 0.000 1.782 0.000) 1.782 11.093 ( 0.000 -9.109 0.000) 9.109 12.146 ( 0.000 21.899 0.000) 21.899 12.560 ( 0.000 20.810 0.000) 20.810 12.827 ( 0.000 -1.160 0.000) 1.160 13.006 ( 0.000 -1.386 0.000) 1.386 13.747 ( 0.000 10.868 0.000) 10.868 14.033 ( 0.000 -5.473 0.000) 5.473 14.486 ( 0.000 -30.943 0.000) 30.943 14.541 ( 0.000 -15.679 0.000) 15.679 15.064 ( 0.000 8.716 0.000) 8.716 15.826 ( 0.000 -7.510 0.000) 7.510 15.858 ( 0.000 5.941 0.000) 5.941 16.178 ( 0.000 3.117 0.000) 3.117 16.301 ( 0.000 -3.351 0.000) 3.351 16.494 ( 0.000 -7.749 0.000) 7.749 16.999 ( 0.000 -2.743 0.000) 2.743 17.652 ( 0.000 -17.797 0.000) 17.797 18.073 ( 0.000 0.800 0.000) 0.800 18.499 ( 0.000 -10.830 0.000) 10.830 18.590 ( 0.000 15.045 0.000) 15.045 19.338 ( 0.000 1.049 0.000) 1.049 19.522 ( 0.000 5.780 0.000) 5.780 19.624 ( 0.000 -2.699 0.000) 2.699 20.389 ( 0.000 -0.820 0.000) 0.820 20.562 ( 0.000 2.629 0.000) 2.629 20.840 ( 0.000 6.898 0.000) 6.898 21.290 ( 0.000 -2.665 0.000) 2.665 22.601 ( 0.000 -3.670 0.000) 3.670 22.671 ( 0.000 -3.179 0.000) 3.179 ======================= Grid point 34 (20/144) ======================= q-point: ( 0.10 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( 15.608 20.209 0.000) 25.535 2.210 ( 6.117 29.227 0.000) 29.860 2.684 ( 19.456 18.035 0.000) 26.529 3.175 ( 11.191 1.009 0.000) 11.237 3.414 ( 0.539 18.143 0.000) 18.151 4.102 ( 1.888 -12.046 0.000) 12.193 4.262 ( -2.278 -6.023 0.000) 6.439 5.291 ( -7.878 -2.439 0.000) 8.247 5.438 ( 1.049 0.547 0.000) 1.183 5.593 ( 1.924 0.101 0.000) 1.927 5.782 ( -5.953 3.897 0.000) 7.115 6.035 ( 6.028 -12.911 0.000) 14.249 6.173 ( -2.812 7.168 0.000) 7.700 6.748 ( -13.697 18.777 0.000) 23.241 6.875 ( 0.987 -7.397 0.000) 7.462 7.300 ( 0.959 -8.420 0.000) 8.475 7.367 ( 6.924 -4.266 0.000) 8.133 7.456 ( -2.125 -2.154 0.000) 3.026 7.675 ( -9.318 -9.904 0.000) 13.598 8.037 ( 1.136 -0.698 0.000) 1.333 8.260 ( -4.330 14.928 0.000) 15.544 8.359 ( -5.505 -1.195 0.000) 5.634 8.722 ( -4.166 -1.235 0.000) 4.345 8.780 ( -15.704 5.693 0.000) 16.704 9.253 ( -11.562 4.699 0.000) 12.480 9.385 ( 6.919 -2.493 0.000) 7.354 9.407 ( 2.408 -0.230 0.000) 2.419 9.803 ( -0.482 -5.396 0.000) 5.417 10.137 ( 1.288 -8.283 0.000) 8.383 10.248 ( 3.109 -5.529 0.000) 6.343 10.383 ( 4.893 3.138 0.000) 5.812 11.084 ( -1.061 -8.310 0.000) 8.378 12.175 ( 2.920 21.946 0.000) 22.139 12.527 ( -2.732 18.057 0.000) 18.262 12.836 ( 2.320 0.663 0.000) 2.413 13.264 ( 21.780 -4.481 0.000) 22.237 13.628 ( -10.375 4.869 0.000) 11.460 14.065 ( 2.359 0.259 0.000) 2.373 14.520 ( 3.513 -30.442 0.000) 30.644 14.605 ( 5.690 -13.981 0.000) 15.094 14.978 ( -7.279 8.578 0.000) 11.250 15.793 ( -6.277 6.015 0.000) 8.694 15.860 ( 1.769 -9.850 0.000) 10.008 16.188 ( 0.723 2.311 0.000) 2.421 16.363 ( 8.664 -1.492 0.000) 8.792 16.706 ( 18.991 -8.200 0.000) 20.686 16.989 ( -0.777 -1.913 0.000) 2.064 17.622 ( -2.625 -15.985 0.000) 16.199 18.140 ( 6.153 -0.541 0.000) 6.176 18.487 ( -9.947 16.125 0.000) 18.946 18.552 ( 5.123 -11.626 0.000) 12.705 19.310 ( -3.143 -0.811 0.000) 3.246 19.510 ( -0.521 4.928 0.000) 4.956 19.652 ( 2.415 -1.600 0.000) 2.897 20.324 ( -5.849 1.389 0.000) 6.011 20.536 ( -3.047 0.272 0.000) 3.059 20.877 ( 3.581 7.139 0.000) 7.987 21.312 ( 2.204 -2.807 0.000) 3.568 22.449 ( -12.320 -0.595 0.000) 12.334 22.666 ( -3.101 -4.409 0.000) 5.390 ======================= Grid point 35 (21/144) ======================= q-point: ( 0.20 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( 14.474 17.125 0.000) 22.422 2.367 ( 9.744 23.179 0.000) 25.144 3.178 ( 25.081 2.337 0.000) 25.190 3.411 ( -1.267 14.037 0.000) 14.094 3.463 ( 20.103 5.403 0.000) 20.816 4.189 ( 8.219 -6.256 0.000) 10.330 4.213 ( -2.478 -3.234 0.000) 4.074 5.118 ( -9.265 -1.275 0.000) 9.352 5.455 ( 0.791 1.729 0.000) 1.901 5.565 ( -7.991 4.613 0.000) 9.227 5.703 ( 1.766 2.694 0.000) 3.221 6.153 ( 1.131 9.650 0.000) 9.716 6.167 ( 6.692 -12.849 0.000) 14.487 6.528 ( -8.162 18.542 0.000) 20.259 6.871 ( -1.574 -7.501 0.000) 7.664 7.203 ( -13.217 -9.407 0.000) 16.223 7.342 ( -8.734 -4.482 0.000) 9.817 7.445 ( 0.917 -9.121 0.000) 9.167 7.543 ( -1.291 -10.573 0.000) 10.652 8.042 ( -2.900 5.934 0.000) 6.605 8.119 ( -9.702 15.709 0.000) 18.464 8.237 ( -7.425 -0.233 0.000) 7.428 8.524 ( -9.800 7.596 0.000) 12.399 8.670 ( 0.296 1.593 0.000) 1.620 8.995 ( -13.146 0.768 0.000) 13.169 9.478 ( 4.004 -4.403 0.000) 5.952 9.513 ( 4.605 -5.193 0.000) 6.941 9.742 ( -5.247 -9.353 0.000) 10.724 10.130 ( 0.135 -6.522 0.000) 6.523 10.352 ( 6.147 -8.080 0.000) 10.153 10.466 ( 3.217 3.988 0.000) 5.124 11.046 ( -3.175 -6.842 0.000) 7.542 12.250 ( 4.583 22.043 0.000) 22.515 12.460 ( -4.189 14.716 0.000) 15.301 12.917 ( 5.542 4.855 0.000) 7.368 13.408 ( -11.638 1.937 0.000) 11.798 13.694 ( 20.650 -7.271 0.000) 21.893 14.116 ( 3.178 3.711 0.000) 4.885 14.612 ( 5.648 -28.806 0.000) 29.354 14.713 ( 4.617 -10.834 0.000) 11.777 14.846 ( -5.385 8.603 0.000) 10.149 15.639 ( -9.273 5.751 0.000) 10.912 15.881 ( 1.080 -12.704 0.000) 12.750 16.194 ( -0.230 -0.033 0.000) 0.232 16.606 ( 14.837 1.622 0.000) 14.926 16.982 ( 0.384 0.130 0.000) 0.405 17.138 ( 24.009 -9.463 0.000) 25.807 17.568 ( -2.731 -12.877 0.000) 13.163 18.251 ( -13.388 17.002 0.000) 21.640 18.272 ( 6.727 -1.783 0.000) 6.960 18.673 ( 6.882 -13.479 0.000) 15.134 19.217 ( -6.282 -4.624 0.000) 7.801 19.514 ( 0.844 4.558 0.000) 4.635 19.707 ( 3.351 -1.171 0.000) 3.550 20.192 ( -7.575 3.344 0.000) 8.280 20.448 ( -5.831 -1.426 0.000) 6.002 20.966 ( 5.586 6.921 0.000) 8.894 21.372 ( 4.061 -3.154 0.000) 5.141 22.183 ( -14.548 2.328 0.000) 14.733 22.545 ( -9.103 -4.618 0.000) 10.208 ======================= Grid point 36 (22/144) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.465 ( 13.219 14.034 0.000) 19.279 2.564 ( 10.342 15.894 0.000) 18.962 3.361 ( -3.718 10.479 0.000) 11.119 3.421 ( 2.928 -9.564 0.000) 10.002 3.936 ( 21.992 7.760 0.000) 23.321 4.175 ( -1.360 -1.161 0.000) 1.788 4.449 ( 18.185 -2.380 0.000) 18.340 4.964 ( -6.472 -3.030 0.000) 7.146 5.411 ( -4.615 8.193 0.000) 9.403 5.476 ( 1.718 5.975 0.000) 6.217 5.775 ( 4.153 6.345 0.000) 7.584 6.228 ( 7.108 7.952 0.000) 10.665 6.234 ( -0.672 -2.625 0.000) 2.710 6.473 ( 2.465 5.647 0.000) 6.162 6.799 ( -7.452 -6.147 0.000) 9.660 6.916 ( -11.502 -10.282 0.000) 15.428 7.142 ( -12.215 -0.468 0.000) 12.224 7.408 ( -4.349 -9.153 0.000) 10.134 7.577 ( 2.954 -9.292 0.000) 9.750 7.914 ( -11.105 9.219 0.000) 14.433 7.944 ( -7.183 12.978 0.000) 14.833 8.080 ( -6.069 -5.779 0.000) 8.380 8.379 ( -6.211 5.734 0.000) 8.453 8.586 ( -12.049 6.601 0.000) 13.739 8.937 ( 8.777 -5.426 0.000) 10.319 9.521 ( -3.325 -9.155 0.000) 9.740 9.530 ( 0.808 -6.316 0.000) 6.367 9.623 ( -6.659 -10.495 0.000) 12.429 10.198 ( 7.105 -3.934 0.000) 8.121 10.455 ( 4.374 -8.592 0.000) 9.641 10.508 ( 1.457 2.651 0.000) 3.025 10.955 ( -6.432 -5.572 0.000) 8.510 12.333 ( 3.458 21.829 0.000) 22.101 12.381 ( -3.556 14.475 0.000) 14.906 13.021 ( 4.649 7.732 0.000) 9.022 13.212 ( -8.192 3.604 0.000) 8.950 14.015 ( 12.695 -4.891 0.000) 13.604 14.187 ( 4.006 3.849 0.000) 5.555 14.698 ( 1.870 -16.722 0.000) 16.827 14.763 ( 0.601 -7.992 0.000) 8.015 14.817 ( 3.607 -0.522 0.000) 3.645 15.454 ( -9.733 4.225 0.000) 10.611 15.916 ( 2.607 -14.115 0.000) 14.354 16.176 ( -1.711 -3.695 0.000) 4.072 16.880 ( 12.862 4.483 0.000) 13.620 17.011 ( 2.607 2.829 0.000) 3.847 17.523 ( -1.897 -9.242 0.000) 9.435 17.539 ( 14.616 -6.354 0.000) 15.938 18.039 ( -5.984 12.598 0.000) 13.947 18.371 ( 3.172 -1.812 0.000) 3.653 18.795 ( 5.460 -15.395 0.000) 16.334 19.088 ( -6.534 -9.164 0.000) 11.255 19.544 ( 2.414 4.644 0.000) 5.234 19.784 ( 4.808 -1.531 0.000) 5.046 20.040 ( -8.261 4.004 0.000) 9.180 20.324 ( -6.928 -2.149 0.000) 7.254 21.090 ( 7.445 6.603 0.000) 9.951 21.471 ( 6.396 -3.610 0.000) 7.345 21.912 ( -13.492 3.580 0.000) 13.959 22.334 ( -12.524 -4.592 0.000) 13.339 ======================= Grid point 37 (23/144) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.689 ( 9.644 10.894 0.000) 14.549 2.742 ( 7.482 9.693 0.000) 12.245 3.289 ( -2.839 8.386 0.000) 8.854 3.388 ( -4.905 -4.990 0.000) 6.997 4.170 ( 1.045 -0.384 0.000) 1.113 4.188 ( 5.360 3.264 0.000) 6.275 4.728 ( 7.451 -5.999 0.000) 9.566 4.866 ( -4.065 -6.584 0.000) 7.737 5.490 ( 11.520 10.748 0.000) 15.756 5.530 ( 3.908 10.782 0.000) 11.468 5.845 ( 4.344 11.654 0.000) 12.437 6.178 ( -4.583 5.243 0.000) 6.964 6.402 ( 7.155 4.673 0.000) 8.545 6.544 ( 2.835 -2.812 0.000) 3.993 6.668 ( 0.794 -5.240 0.000) 5.300 6.814 ( -0.655 -10.462 0.000) 10.482 6.862 ( -15.844 -0.352 0.000) 15.848 7.317 ( -6.100 -5.402 0.000) 8.148 7.598 ( -2.029 -0.303 0.000) 2.052 7.628 ( -14.812 7.041 0.000) 16.400 7.892 ( 2.877 2.885 0.000) 4.074 8.048 ( 0.765 -3.379 0.000) 3.464 8.272 ( -4.930 2.952 0.000) 5.746 8.340 ( -11.828 -0.374 0.000) 11.834 9.156 ( 11.827 -3.706 0.000) 12.394 9.443 ( -3.186 -10.461 0.000) 10.936 9.482 ( -5.760 -10.610 0.000) 12.072 9.516 ( -4.277 -6.051 0.000) 7.410 10.378 ( 10.872 -3.221 0.000) 11.339 10.517 ( 2.078 -7.233 0.000) 7.526 10.530 ( 0.812 -0.677 0.000) 1.057 10.799 ( -9.649 -4.512 0.000) 10.651 12.338 ( -0.824 16.327 0.000) 16.347 12.366 ( -0.048 20.637 0.000) 20.637 13.082 ( 1.640 9.033 0.000) 9.181 13.109 ( -2.567 6.744 0.000) 7.216 14.190 ( 6.000 -1.128 0.000) 6.105 14.253 ( 2.333 2.642 0.000) 3.525 14.715 ( 0.777 -6.455 0.000) 6.502 14.750 ( -1.340 -5.870 0.000) 6.021 14.939 ( 7.807 -6.636 0.000) 10.246 15.272 ( -9.198 1.144 0.000) 9.268 15.979 ( 3.834 -13.875 0.000) 14.395 16.128 ( -3.210 -7.956 0.000) 8.579 17.071 ( 6.499 6.530 0.000) 9.213 17.075 ( 3.642 5.542 0.000) 6.632 17.500 ( -0.373 -4.551 0.000) 4.566 17.602 ( -4.412 4.284 0.000) 6.150 18.114 ( 10.395 -0.569 0.000) 10.410 18.384 ( -1.926 -1.644 0.000) 2.532 18.876 ( 3.076 -16.533 0.000) 16.817 18.983 ( -4.216 -13.578 0.000) 14.218 19.611 ( 4.751 4.822 0.000) 6.769 19.878 ( -8.397 4.346 0.000) 9.455 19.895 ( 6.654 -2.168 0.000) 6.998 20.184 ( -7.619 -2.620 0.000) 8.057 21.253 ( 9.471 5.987 0.000) 11.204 21.622 ( 9.430 -4.053 0.000) 10.264 21.668 ( -12.000 4.161 0.000) 12.701 22.081 ( -13.478 -4.495 0.000) 14.208 ======================= Grid point 38 (24/144) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.807 ( -0.491 8.270 0.000) 8.284 2.807 ( 0.491 8.270 0.000) 8.284 3.291 ( -0.557 3.186 0.000) 3.235 3.291 ( 0.557 3.186 0.000) 3.235 4.206 ( -0.776 0.679 0.000) 1.031 4.206 ( 0.776 0.679 0.000) 1.031 4.802 ( -0.304 -7.941 0.000) 7.947 4.802 ( 0.304 -7.941 0.000) 7.947 5.600 ( -0.204 12.782 0.000) 12.783 5.600 ( 0.204 12.782 0.000) 12.783 6.027 ( -11.924 8.784 0.000) 14.810 6.027 ( 11.924 8.784 0.000) 14.810 6.491 ( -5.764 2.405 0.000) 6.246 6.491 ( 5.764 2.405 0.000) 6.246 6.696 ( -0.001 -7.935 0.000) 7.935 6.696 ( 0.001 -7.935 0.000) 7.935 7.038 ( -19.766 -4.458 0.000) 20.263 7.038 ( 19.766 -4.458 0.000) 20.263 7.530 ( -0.551 5.420 0.000) 5.448 7.530 ( 0.551 5.420 0.000) 5.448 8.011 ( -0.805 -2.008 0.000) 2.163 8.011 ( 0.805 -2.008 0.000) 2.163 8.209 ( -0.001 -0.844 0.000) 0.844 8.209 ( 0.001 -0.844 0.000) 0.844 9.354 ( -1.765 -6.061 0.000) 6.313 9.354 ( 1.765 -6.061 0.000) 6.313 9.435 ( -1.547 -9.113 0.000) 9.244 9.435 ( 1.547 -9.113 0.000) 9.244 10.537 ( -0.001 -4.826 0.000) 4.826 10.537 ( 0.001 -4.826 0.000) 4.826 10.595 ( -3.064 -3.278 0.000) 4.487 10.595 ( 3.064 -3.278 0.000) 4.487 12.346 ( -0.197 18.625 0.000) 18.626 12.346 ( 0.197 18.625 0.000) 18.626 13.092 ( -0.000 8.845 0.000) 8.845 13.092 ( 0.000 8.845 0.000) 8.845 14.261 ( -0.119 1.194 0.000) 1.200 14.261 ( 0.119 1.194 0.000) 1.200 14.729 ( -0.032 -5.460 0.000) 5.460 14.729 ( 0.032 -5.460 0.000) 5.460 15.100 ( -5.370 -2.771 0.000) 6.043 15.100 ( 5.370 -2.771 0.000) 6.043 16.057 ( -0.442 -11.696 0.000) 11.705 16.057 ( 0.442 -11.696 0.000) 11.705 17.124 ( -0.021 7.063 0.000) 7.063 17.124 ( 0.021 7.063 0.000) 7.063 17.520 ( -0.861 1.138 0.000) 1.427 17.520 ( 0.861 1.138 0.000) 1.427 18.295 ( -1.777 -1.971 0.000) 2.654 18.295 ( 1.777 -1.971 0.000) 2.654 18.924 ( -0.324 -16.192 0.000) 16.195 18.924 ( 0.324 -16.192 0.000) 16.195 19.727 ( -4.695 4.707 0.000) 6.648 19.727 ( 4.695 4.707 0.000) 6.648 20.035 ( -5.069 -2.640 0.000) 5.715 20.035 ( 5.069 -2.640 0.000) 5.715 21.449 ( -5.531 4.996 0.000) 7.453 21.449 ( 5.531 4.996 0.000) 7.453 21.831 ( -11.347 -4.336 0.000) 12.148 21.831 ( 11.347 -4.336 0.000) 12.148 ======================= Grid point 44 (25/144) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( 0.000 19.347 0.000) 19.347 2.693 ( 0.000 -3.055 0.000) 3.055 2.752 ( 0.000 27.421 0.000) 27.421 3.178 ( 0.000 11.683 0.000) 11.683 3.578 ( 0.000 -6.820 0.000) 6.820 3.782 ( 0.000 -15.595 0.000) 15.595 4.320 ( 0.000 14.243 0.000) 14.243 5.118 ( 0.000 -16.344 0.000) 16.344 5.569 ( 0.000 5.931 0.000) 5.931 5.618 ( 0.000 4.642 0.000) 4.642 5.753 ( 0.000 -7.630 0.000) 7.630 5.845 ( 0.000 -3.056 0.000) 3.056 6.370 ( 0.000 9.591 0.000) 9.591 6.717 ( 0.000 -6.627 0.000) 6.627 7.159 ( 0.000 7.529 0.000) 7.529 7.231 ( 0.000 1.492 0.000) 1.492 7.373 ( 0.000 6.714 0.000) 6.714 7.508 ( 0.000 4.550 0.000) 4.550 7.547 ( 0.000 -11.353 0.000) 11.353 7.751 ( 0.000 -17.118 0.000) 17.118 8.450 ( 0.000 5.317 0.000) 5.317 8.572 ( 0.000 12.131 0.000) 12.131 8.771 ( 0.000 -2.356 0.000) 2.356 8.915 ( 0.000 -4.554 0.000) 4.554 9.293 ( 0.000 1.153 0.000) 1.153 9.413 ( 0.000 -0.872 0.000) 0.872 9.497 ( 0.000 4.554 0.000) 4.554 9.707 ( 0.000 -5.322 0.000) 5.322 9.994 ( 0.000 -1.974 0.000) 1.974 10.120 ( 0.000 -5.957 0.000) 5.957 10.448 ( 0.000 9.856 0.000) 9.856 10.910 ( 0.000 -9.594 0.000) 9.594 12.654 ( 0.000 27.213 0.000) 27.213 12.822 ( 0.000 0.935 0.000) 0.935 12.950 ( 0.000 -3.860 0.000) 3.860 12.976 ( 0.000 20.038 0.000) 20.038 13.744 ( 0.000 -21.973 0.000) 21.973 13.887 ( 0.000 -27.018 0.000) 27.018 13.972 ( 0.000 10.718 0.000) 10.718 14.317 ( 0.000 -7.285 0.000) 7.285 15.259 ( 0.000 10.170 0.000) 10.170 15.662 ( 0.000 -8.749 0.000) 8.749 15.985 ( 0.000 6.342 0.000) 6.342 16.188 ( 0.000 -2.035 0.000) 2.035 16.250 ( 0.000 -1.337 0.000) 1.337 16.346 ( 0.000 -6.216 0.000) 6.216 16.991 ( 0.000 2.374 0.000) 2.374 17.327 ( 0.000 -13.718 0.000) 13.718 18.103 ( 0.000 2.315 0.000) 2.315 18.307 ( 0.000 -7.995 0.000) 7.995 18.889 ( 0.000 13.817 0.000) 13.817 19.302 ( 0.000 -5.086 0.000) 5.086 19.597 ( 0.000 0.211 0.000) 0.211 19.601 ( 0.000 2.057 0.000) 2.057 20.401 ( 0.000 2.024 0.000) 2.024 20.541 ( 0.000 -3.213 0.000) 3.213 20.997 ( 0.000 7.415 0.000) 7.415 21.223 ( 0.000 -3.912 0.000) 3.912 22.552 ( 0.000 -1.016 0.000) 1.016 22.607 ( 0.000 -2.970 0.000) 2.970 ======================= Grid point 45 (26/144) ======================= q-point: ( 0.10 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( 11.554 17.243 0.000) 20.756 2.773 ( 2.081 25.806 0.000) 25.890 2.813 ( 11.667 -5.011 0.000) 12.698 3.300 ( 12.766 11.737 0.000) 17.342 3.557 ( -2.179 -6.964 0.000) 7.297 3.846 ( 6.881 -13.175 0.000) 14.864 4.319 ( -0.130 14.249 0.000) 14.250 5.077 ( -4.275 -15.194 0.000) 15.784 5.563 ( 0.026 6.868 0.000) 6.868 5.629 ( 1.091 3.874 0.000) 4.024 5.809 ( 5.144 -8.631 0.000) 10.048 5.810 ( -3.545 -1.532 0.000) 3.862 6.374 ( 0.891 11.022 0.000) 11.058 6.741 ( 1.621 -6.383 0.000) 6.585 7.090 ( -8.820 13.929 0.000) 16.487 7.193 ( -3.944 -1.092 0.000) 4.092 7.258 ( -5.060 -2.042 0.000) 5.456 7.460 ( -8.303 -10.651 0.000) 13.505 7.477 ( -3.889 0.644 0.000) 3.942 7.865 ( 6.956 -13.849 0.000) 15.498 8.436 ( -0.455 8.342 0.000) 8.354 8.534 ( -4.206 11.785 0.000) 12.513 8.727 ( -4.503 -0.651 0.000) 4.550 8.825 ( -9.030 -1.367 0.000) 9.133 9.296 ( -7.682 -0.527 0.000) 7.700 9.334 ( -0.270 -1.424 0.000) 1.449 9.436 ( -3.444 3.003 0.000) 4.570 9.667 ( -4.431 -7.302 0.000) 8.541 10.018 ( 1.472 -2.646 0.000) 3.028 10.131 ( 1.994 -5.772 0.000) 6.107 10.511 ( 4.940 8.960 0.000) 10.232 10.917 ( 0.326 -8.612 0.000) 8.618 12.668 ( 1.508 25.640 0.000) 25.684 12.783 ( -4.112 6.188 0.000) 7.430 12.914 ( 3.751 4.857 0.000) 6.136 13.230 ( 17.643 4.018 0.000) 18.095 13.577 ( -11.795 -12.303 0.000) 17.044 13.939 ( 5.230 -25.764 0.000) 26.290 14.092 ( 7.127 4.422 0.000) 8.388 14.377 ( 5.929 -8.434 0.000) 10.309 15.175 ( -6.873 10.647 0.000) 12.673 15.642 ( -2.152 -11.390 0.000) 11.592 15.926 ( -5.848 6.873 0.000) 9.024 16.175 ( -1.590 -3.452 0.000) 3.801 16.360 ( 12.231 1.376 0.000) 12.308 16.545 ( 17.560 -7.265 0.000) 19.004 16.998 ( 0.813 3.041 0.000) 3.148 17.327 ( 0.022 -12.659 0.000) 12.660 18.151 ( 4.630 1.701 0.000) 4.932 18.347 ( 3.964 -8.330 0.000) 9.225 18.803 ( -8.505 14.480 0.000) 16.793 19.244 ( -5.861 -6.129 0.000) 8.480 19.581 ( -0.064 2.570 0.000) 2.570 19.641 ( 2.449 -0.064 0.000) 2.450 20.359 ( -4.162 2.472 0.000) 4.841 20.502 ( -3.889 -3.170 0.000) 5.018 21.025 ( 2.804 6.918 0.000) 7.464 21.244 ( 2.033 -3.934 0.000) 4.428 22.451 ( -9.026 1.061 0.000) 9.088 22.574 ( -4.335 -4.408 0.000) 6.182 ======================= Grid point 46 (27/144) ======================= q-point: ( 0.20 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.517 ( 11.615 14.568 0.000) 18.632 2.827 ( 3.376 21.625 0.000) 21.887 3.057 ( 11.095 -10.879 0.000) 15.538 3.498 ( -3.753 -6.600 0.000) 7.592 3.663 ( 24.006 11.371 0.000) 26.562 4.056 ( 14.946 -7.323 0.000) 16.643 4.309 ( -1.113 13.357 0.000) 13.403 4.961 ( -7.402 -12.449 0.000) 14.483 5.585 ( 2.351 8.350 0.000) 8.674 5.644 ( -1.261 3.807 0.000) 4.010 5.740 ( -1.068 0.895 0.000) 1.394 5.928 ( 6.779 -10.188 0.000) 12.237 6.414 ( 3.149 13.054 0.000) 13.429 6.741 ( -2.095 -5.243 0.000) 5.646 6.880 ( -10.755 14.330 0.000) 17.917 7.050 ( -12.182 -4.020 0.000) 12.829 7.199 ( -3.093 -7.154 0.000) 7.794 7.315 ( -3.629 -11.508 0.000) 12.066 7.390 ( -4.267 3.432 0.000) 5.476 7.918 ( -0.982 -13.494 0.000) 13.529 8.395 ( -7.720 10.938 0.000) 13.388 8.398 ( -9.853 11.564 0.000) 15.192 8.623 ( -10.403 1.655 0.000) 10.534 8.683 ( 3.662 -1.305 0.000) 3.887 9.027 ( -17.223 3.526 0.000) 17.580 9.359 ( -0.458 -9.398 0.000) 9.409 9.413 ( 0.504 -1.549 0.000) 1.629 9.557 ( -6.385 -8.159 0.000) 10.360 10.050 ( 2.972 -0.715 0.000) 3.056 10.207 ( 5.266 -6.402 0.000) 8.290 10.584 ( 2.106 7.311 0.000) 7.609 10.904 ( -2.059 -7.225 0.000) 7.512 12.710 ( 2.773 22.256 0.000) 22.428 12.712 ( -2.968 10.974 0.000) 11.368 13.023 ( 6.456 2.404 0.000) 6.889 13.369 ( -9.202 -6.791 0.000) 11.436 13.598 ( 19.437 -0.752 0.000) 19.451 14.079 ( 9.037 -22.365 0.000) 24.122 14.200 ( 4.445 5.001 0.000) 6.691 14.504 ( 6.077 -9.476 0.000) 11.257 15.052 ( -5.183 11.560 0.000) 12.668 15.602 ( -1.406 -14.341 0.000) 14.410 15.777 ( -9.312 7.817 0.000) 12.157 16.122 ( -3.934 -6.654 0.000) 7.729 16.665 ( 17.853 4.263 0.000) 18.355 16.945 ( 22.637 -9.047 0.000) 24.378 17.030 ( 2.668 4.441 0.000) 5.180 17.333 ( 0.818 -10.123 0.000) 10.156 18.258 ( 5.780 0.583 0.000) 5.809 18.441 ( 5.339 -9.058 0.000) 10.514 18.588 ( -13.061 15.649 0.000) 20.383 19.090 ( -9.675 -8.273 0.000) 12.730 19.594 ( 1.291 3.526 0.000) 3.755 19.692 ( 2.872 -0.898 0.000) 3.009 20.254 ( -6.502 3.211 0.000) 7.252 20.403 ( -6.232 -3.090 0.000) 6.956 21.099 ( 4.763 5.988 0.000) 7.652 21.299 ( 3.790 -3.979 0.000) 5.495 22.239 ( -12.527 3.421 0.000) 12.986 22.438 ( -9.553 -5.653 0.000) 11.100 ======================= Grid point 47 (28/144) ======================= q-point: ( 0.30 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.725 ( 10.004 11.916 0.000) 15.559 2.897 ( 3.750 16.402 0.000) 16.825 3.203 ( 4.606 -11.530 0.000) 12.416 3.421 ( -4.124 -5.040 0.000) 6.512 4.102 ( 17.924 8.192 0.000) 19.707 4.276 ( -2.021 11.062 0.000) 11.245 4.381 ( 16.873 -4.667 0.000) 17.506 4.814 ( -7.437 -10.669 0.000) 13.006 5.593 ( -0.226 9.204 0.000) 9.207 5.653 ( 4.708 9.879 0.000) 10.943 5.819 ( 7.736 -0.712 0.000) 7.769 6.053 ( 5.839 -10.316 0.000) 11.854 6.481 ( 3.127 11.515 0.000) 11.932 6.673 ( -4.164 -6.201 0.000) 7.470 6.710 ( -6.840 11.826 0.000) 13.662 6.784 ( -12.189 1.015 0.000) 12.231 7.090 ( -9.109 -7.057 0.000) 11.523 7.335 ( 4.511 -14.064 0.000) 14.770 7.336 ( -1.201 6.302 0.000) 6.415 7.888 ( -0.954 -11.571 0.000) 11.610 8.143 ( -16.574 11.179 0.000) 19.991 8.191 ( -10.745 10.798 0.000) 15.233 8.440 ( -9.002 -0.051 0.000) 9.003 8.619 ( -18.619 -7.422 0.000) 20.044 8.889 ( 9.536 5.140 0.000) 10.833 9.306 ( -4.125 -11.282 0.000) 12.012 9.415 ( -2.141 -4.562 0.000) 5.040 9.442 ( -4.373 -6.697 0.000) 7.998 10.154 ( 7.600 0.274 0.000) 7.605 10.312 ( 5.461 -5.955 0.000) 8.080 10.589 ( -1.386 5.065 0.000) 5.251 10.833 ( -5.361 -6.231 0.000) 8.220 12.675 ( -0.811 14.912 0.000) 14.934 12.760 ( 1.855 19.287 0.000) 19.376 13.135 ( 4.767 0.480 0.000) 4.791 13.236 ( -4.510 -2.329 0.000) 5.076 13.936 ( 15.239 -1.786 0.000) 15.343 14.267 ( 9.988 -17.966 0.000) 20.556 14.272 ( 3.098 4.989 0.000) 5.873 14.585 ( 2.254 -9.178 0.000) 9.450 14.994 ( -0.567 11.867 0.000) 11.880 15.580 ( -10.889 8.422 0.000) 13.766 15.601 ( 1.438 -16.267 0.000) 16.330 16.026 ( -5.936 -10.338 0.000) 11.921 16.994 ( 15.423 6.756 0.000) 16.838 17.103 ( 4.895 5.764 0.000) 7.562 17.354 ( 18.360 -10.152 0.000) 20.979 17.363 ( 2.383 -6.850 0.000) 7.252 18.340 ( -11.506 15.564 0.000) 19.355 18.347 ( 2.967 -0.040 0.000) 2.967 18.535 ( 4.136 -9.953 0.000) 10.778 18.894 ( -10.127 -10.684 0.000) 14.721 19.632 ( 2.841 4.129 0.000) 5.012 19.757 ( 4.081 -1.600 0.000) 4.383 20.117 ( -7.635 3.814 0.000) 8.534 20.272 ( -7.274 -3.106 0.000) 7.909 21.208 ( 6.726 5.137 0.000) 8.463 21.392 ( 6.020 -4.088 0.000) 7.277 21.991 ( -12.918 4.486 0.000) 13.675 22.223 ( -12.458 -6.064 0.000) 13.856 ======================= Grid point 48 (29/144) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.893 ( 7.095 9.438 0.000) 11.807 2.963 ( 2.747 11.623 0.000) 11.943 3.257 ( 1.663 -7.764 0.000) 7.940 3.345 ( -3.627 -3.184 0.000) 4.826 4.253 ( 0.113 8.343 0.000) 8.344 4.294 ( 3.067 6.773 0.000) 7.435 4.595 ( 4.543 -6.989 0.000) 8.335 4.692 ( -4.978 -10.031 0.000) 11.198 5.718 ( 11.503 11.145 0.000) 16.017 5.757 ( 5.712 10.799 0.000) 12.216 5.989 ( 8.630 1.573 0.000) 8.772 6.137 ( 2.591 -7.299 0.000) 7.745 6.459 ( -3.740 -0.928 0.000) 3.853 6.616 ( -3.187 6.947 0.000) 7.643 6.618 ( -1.739 -8.201 0.000) 8.383 6.751 ( 10.406 15.031 0.000) 18.282 6.843 ( -16.001 -2.760 0.000) 16.237 7.312 ( -3.979 7.116 0.000) 8.153 7.458 ( 7.674 -12.584 0.000) 14.739 7.766 ( -14.773 2.260 0.000) 14.945 7.949 ( 1.267 -2.808 0.000) 3.080 8.010 ( -7.488 7.645 0.000) 10.701 8.266 ( -15.611 -7.203 0.000) 17.193 8.274 ( -8.240 -2.819 0.000) 8.708 9.093 ( 10.266 -1.614 0.000) 10.392 9.244 ( -1.534 -8.315 0.000) 8.456 9.322 ( -5.029 -4.670 0.000) 6.862 9.386 ( -3.931 -6.069 0.000) 7.231 10.318 ( 8.918 -1.071 0.000) 8.982 10.415 ( 5.392 -3.997 0.000) 6.712 10.542 ( -3.317 2.024 0.000) 3.886 10.703 ( -7.984 -4.848 0.000) 9.341 12.682 ( 1.493 17.553 0.000) 17.616 12.766 ( -1.253 18.098 0.000) 18.141 13.195 ( -0.145 0.104 0.000) 0.178 13.197 ( 1.719 -0.295 0.000) 1.744 14.169 ( 9.008 -0.145 0.000) 9.009 14.311 ( 0.683 3.673 0.000) 3.736 14.439 ( 7.516 -13.539 0.000) 15.485 14.595 ( -1.085 -8.695 0.000) 8.763 15.036 ( 4.986 10.784 0.000) 11.881 15.370 ( -10.830 8.579 0.000) 13.816 15.658 ( 4.431 -16.977 0.000) 17.546 15.900 ( -7.058 -13.717 0.000) 15.426 17.207 ( 5.423 6.885 0.000) 8.764 17.221 ( 7.591 8.241 0.000) 11.204 17.428 ( 4.420 -3.362 0.000) 5.553 17.577 ( 3.409 -6.558 0.000) 7.391 18.212 ( -0.445 10.168 0.000) 10.178 18.359 ( -1.802 0.206 0.000) 1.814 18.596 ( 2.324 -11.084 0.000) 11.325 18.727 ( -6.748 -12.413 0.000) 14.128 19.706 ( 4.958 4.531 0.000) 6.716 19.852 ( 5.909 -2.304 0.000) 6.343 19.966 ( -7.901 4.322 0.000) 9.006 20.127 ( -7.713 -3.132 0.000) 8.325 21.357 ( 8.707 4.496 0.000) 9.799 21.535 ( 8.965 -4.403 0.000) 9.988 21.752 ( -11.815 4.489 0.000) 12.639 21.975 ( -13.058 -5.736 0.000) 14.262 ======================= Grid point 49 (30/144) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.980 ( -0.119 8.851 0.000) 8.851 2.980 ( 0.119 8.851 0.000) 8.851 3.289 ( -0.123 -3.684 0.000) 3.686 3.289 ( 0.123 -3.684 0.000) 3.686 4.283 ( -1.165 6.613 0.000) 6.715 4.283 ( 1.165 6.613 0.000) 6.715 4.631 ( -0.162 -8.716 0.000) 8.717 4.631 ( 0.162 -8.716 0.000) 8.717 5.839 ( -0.118 10.552 0.000) 10.552 5.839 ( 0.118 10.552 0.000) 10.552 6.129 ( -4.260 -0.689 0.000) 4.315 6.129 ( 4.260 -0.689 0.000) 4.315 6.519 ( -10.522 0.693 0.000) 10.545 6.519 ( 10.522 0.693 0.000) 10.545 6.606 ( -0.183 -2.036 0.000) 2.044 6.606 ( 0.183 -2.036 0.000) 2.044 7.069 ( -18.093 9.413 0.000) 20.395 7.069 ( 18.093 9.413 0.000) 20.395 7.590 ( -5.107 -2.635 0.000) 5.747 7.590 ( 5.107 -2.635 0.000) 5.747 7.947 ( -0.049 -1.534 0.000) 1.535 7.947 ( 0.049 -1.534 0.000) 1.535 8.144 ( -1.910 -5.271 0.000) 5.606 8.144 ( 1.910 -5.271 0.000) 5.606 9.241 ( -0.333 -4.154 0.000) 4.167 9.241 ( 0.333 -4.154 0.000) 4.167 9.280 ( -5.135 -5.935 0.000) 7.848 9.280 ( 5.135 -5.935 0.000) 7.848 10.462 ( -0.623 -1.219 0.000) 1.369 10.462 ( 0.623 -1.219 0.000) 1.369 10.541 ( -1.309 -2.970 0.000) 3.246 10.541 ( 1.309 -2.970 0.000) 3.246 12.724 ( -1.651 18.248 0.000) 18.322 12.724 ( 1.651 18.248 0.000) 18.322 13.206 ( -0.151 0.120 0.000) 0.193 13.206 ( 0.151 0.120 0.000) 0.193 14.287 ( -0.457 1.930 0.000) 1.984 14.287 ( 0.457 1.930 0.000) 1.984 14.548 ( -0.929 -9.953 0.000) 9.996 14.548 ( 0.929 -9.953 0.000) 9.996 15.175 ( -2.650 9.171 0.000) 9.546 15.175 ( 2.650 9.171 0.000) 9.546 15.766 ( -0.994 -16.104 0.000) 16.135 15.766 ( 0.994 -16.104 0.000) 16.135 17.279 ( -0.067 7.922 0.000) 7.922 17.279 ( 0.067 7.922 0.000) 7.922 17.529 ( -1.889 -1.720 0.000) 2.555 17.529 ( 1.889 -1.720 0.000) 2.555 18.284 ( -1.550 2.490 0.000) 2.933 18.284 ( 1.550 2.490 0.000) 2.933 18.639 ( -0.490 -12.315 0.000) 12.325 18.639 ( 0.490 -12.315 0.000) 12.325 19.822 ( -3.936 4.613 0.000) 6.064 19.822 ( 3.936 4.613 0.000) 6.064 19.981 ( -7.353 -2.882 0.000) 7.897 19.981 ( 7.353 -2.882 0.000) 7.897 21.540 ( -6.886 4.285 0.000) 8.111 21.540 ( 6.886 4.285 0.000) 8.111 21.735 ( -11.691 -5.023 0.000) 12.725 21.735 ( 11.691 -5.023 0.000) 12.725 ======================= Grid point 55 (31/144) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.498 ( 0.000 -14.031 0.000) 14.031 2.498 ( 0.000 14.031 0.000) 14.031 3.255 ( 0.000 -21.530 0.000) 21.530 3.255 ( 0.000 21.530 0.000) 21.530 3.465 ( 0.000 -15.281 0.000) 15.281 3.465 ( 0.000 15.281 0.000) 15.281 4.724 ( 0.000 -21.487 0.000) 21.487 4.724 ( 0.000 21.487 0.000) 21.487 5.653 ( 0.000 -3.278 0.000) 3.278 5.653 ( 0.000 3.278 0.000) 3.278 5.739 ( 0.000 -6.427 0.000) 6.427 5.739 ( 0.000 6.427 0.000) 6.427 6.563 ( 0.000 -8.722 0.000) 8.722 6.563 ( 0.000 8.722 0.000) 8.722 7.338 ( 0.000 -8.493 0.000) 8.493 7.338 ( 0.000 8.493 0.000) 8.493 7.372 ( 0.000 -12.340 0.000) 12.340 7.372 ( 0.000 12.340 0.000) 12.340 7.527 ( 0.000 -1.216 0.000) 1.216 7.527 ( 0.000 1.216 0.000) 1.216 8.628 ( 0.000 -10.182 0.000) 10.182 8.628 ( 0.000 10.182 0.000) 10.182 8.783 ( 0.000 -8.471 0.000) 8.471 8.783 ( 0.000 8.471 0.000) 8.471 9.357 ( 0.000 -4.027 0.000) 4.027 9.357 ( 0.000 4.027 0.000) 4.027 9.595 ( 0.000 -5.269 0.000) 5.269 9.595 ( 0.000 5.269 0.000) 5.269 10.016 ( 0.000 -3.661 0.000) 3.661 10.016 ( 0.000 3.661 0.000) 3.661 10.686 ( 0.000 -12.201 0.000) 12.201 10.686 ( 0.000 12.201 0.000) 12.201 12.869 ( 0.000 -3.526 0.000) 3.526 12.869 ( 0.000 3.526 0.000) 3.526 13.222 ( 0.000 -27.778 0.000) 27.778 13.222 ( 0.000 27.778 0.000) 27.778 13.394 ( 0.000 -21.722 0.000) 21.722 13.394 ( 0.000 21.722 0.000) 21.722 14.168 ( 0.000 -8.282 0.000) 8.282 14.168 ( 0.000 8.282 0.000) 8.282 15.468 ( 0.000 -10.125 0.000) 10.125 15.468 ( 0.000 10.125 0.000) 10.125 16.108 ( 0.000 -5.381 0.000) 5.381 16.108 ( 0.000 5.381 0.000) 5.381 16.258 ( 0.000 -2.278 0.000) 2.278 16.258 ( 0.000 2.278 0.000) 2.278 17.101 ( 0.000 -8.357 0.000) 8.357 17.101 ( 0.000 8.357 0.000) 8.357 18.175 ( 0.000 -4.913 0.000) 4.913 18.175 ( 0.000 4.913 0.000) 4.913 19.139 ( 0.000 -10.465 0.000) 10.465 19.139 ( 0.000 10.465 0.000) 10.465 19.613 ( 0.000 -0.625 0.000) 0.625 19.613 ( 0.000 0.625 0.000) 0.625 20.464 ( 0.000 -3.853 0.000) 3.853 20.464 ( 0.000 3.853 0.000) 3.853 21.128 ( 0.000 -5.490 0.000) 5.490 21.128 ( 0.000 5.490 0.000) 5.490 22.558 ( 0.000 -1.535 0.000) 1.535 22.558 ( 0.000 1.535 0.000) 1.535 ======================= Grid point 57 (32/144) ======================= q-point: ( 0.10 -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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.604 ( 9.650 -13.682 0.000) 16.743 2.604 ( 9.650 13.682 0.000) 16.743 3.249 ( -0.683 -20.412 0.000) 20.424 3.249 ( -0.683 20.412 0.000) 20.424 3.570 ( 11.117 -13.745 0.000) 17.678 3.570 ( 11.117 13.745 0.000) 17.678 4.707 ( -1.854 -20.331 0.000) 20.416 4.707 ( -1.854 20.331 0.000) 20.416 5.678 ( 2.592 -5.039 0.000) 5.666 5.678 ( 2.592 5.039 0.000) 5.666 5.732 ( -0.715 -5.326 0.000) 5.373 5.732 ( -0.715 5.326 0.000) 5.373 6.585 ( 2.059 -9.174 0.000) 9.402 6.585 ( 2.059 9.174 0.000) 9.402 7.251 ( -9.281 -2.408 0.000) 9.588 7.251 ( -9.281 2.408 0.000) 9.588 7.266 ( -7.154 -7.545 0.000) 10.398 7.266 ( -7.154 7.545 0.000) 10.398 7.579 ( 2.666 -11.717 0.000) 12.016 7.579 ( 2.666 11.717 0.000) 12.016 8.629 ( -0.197 -8.671 0.000) 8.673 8.629 ( -0.197 8.671 0.000) 8.673 8.732 ( -5.390 -7.434 0.000) 9.183 8.732 ( -5.390 7.434 0.000) 9.183 9.302 ( -5.678 -1.620 0.000) 5.904 9.302 ( -5.678 1.620 0.000) 5.904 9.528 ( -5.540 -5.920 0.000) 8.108 9.528 ( -5.540 5.920 0.000) 8.108 10.031 ( 1.821 -3.402 0.000) 3.859 10.031 ( 1.821 3.402 0.000) 3.859 10.720 ( 2.562 -10.642 0.000) 10.946 10.720 ( 2.562 10.642 0.000) 10.946 12.888 ( 1.823 -4.872 0.000) 5.202 12.888 ( 1.823 4.872 0.000) 5.202 13.183 ( -3.416 -23.885 0.000) 24.128 13.183 ( -3.416 23.885 0.000) 24.128 13.487 ( 9.281 -18.509 0.000) 20.705 13.487 ( 9.281 18.509 0.000) 20.705 14.224 ( 5.117 -7.266 0.000) 8.887 14.224 ( 5.117 7.266 0.000) 8.887 15.405 ( -5.258 -11.687 0.000) 12.815 15.405 ( -5.258 11.687 0.000) 12.815 16.066 ( -4.218 -6.602 0.000) 7.834 16.066 ( -4.218 6.602 0.000) 7.834 16.421 ( 15.402 -4.645 0.000) 16.087 16.421 ( 15.402 4.645 0.000) 16.087 17.114 ( 1.315 -8.186 0.000) 8.291 17.114 ( 1.315 8.186 0.000) 8.291 18.215 ( 3.854 -4.722 0.000) 6.095 18.215 ( 3.854 4.722 0.000) 6.095 19.066 ( -7.317 -11.061 0.000) 13.263 19.066 ( -7.317 11.061 0.000) 13.263 19.625 ( 1.236 -1.611 0.000) 2.031 19.625 ( 1.236 1.611 0.000) 2.031 20.426 ( -3.802 -3.885 0.000) 5.436 20.426 ( -3.802 3.885 0.000) 5.436 21.150 ( 2.175 -5.310 0.000) 5.739 21.150 ( 2.175 5.310 0.000) 5.739 22.495 ( -6.402 -3.168 0.000) 7.143 22.495 ( -6.402 3.168 0.000) 7.143 ======================= Grid point 59 (33/144) ======================= q-point: ( 0.20 -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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.802 ( 9.777 -13.455 0.000) 16.632 2.802 ( 9.777 13.455 0.000) 16.632 3.231 ( -1.040 -17.522 0.000) 17.553 3.231 ( -1.040 17.522 0.000) 17.553 3.882 ( 20.217 -9.792 0.000) 22.463 3.882 ( 20.217 9.792 0.000) 22.463 4.649 ( -4.201 -17.431 0.000) 17.930 4.649 ( -4.201 17.431 0.000) 17.930 5.719 ( -0.178 -2.928 0.000) 2.934 5.719 ( -0.178 2.928 0.000) 2.934 5.749 ( 4.672 -7.876 0.000) 9.158 5.749 ( 4.672 7.876 0.000) 9.158 6.622 ( 0.924 -7.384 0.000) 7.442 6.622 ( 0.924 7.384 0.000) 7.442 7.073 ( -8.848 -6.067 0.000) 10.728 7.073 ( -8.848 6.067 0.000) 10.728 7.099 ( -8.619 -8.354 0.000) 12.003 7.099 ( -8.619 8.354 0.000) 12.003 7.602 ( -0.037 -15.575 0.000) 15.575 7.602 ( -0.037 15.575 0.000) 15.575 8.580 ( -10.045 -5.873 0.000) 11.636 8.580 ( -10.045 5.873 0.000) 11.636 8.591 ( -5.150 -7.566 0.000) 9.153 8.591 ( -5.150 7.566 0.000) 9.153 9.161 ( -7.615 -9.080 0.000) 11.851 9.161 ( -7.615 9.080 0.000) 11.851 9.432 ( -3.964 -3.643 0.000) 5.384 9.432 ( -3.964 3.643 0.000) 5.384 10.093 ( 4.717 -4.416 0.000) 6.461 10.093 ( 4.717 4.416 0.000) 6.461 10.747 ( -0.272 -8.145 0.000) 8.150 10.747 ( -0.272 8.145 0.000) 8.150 12.931 ( 2.528 -9.791 0.000) 10.112 12.931 ( 2.528 9.791 0.000) 10.112 13.121 ( -2.618 -17.061 0.000) 17.260 13.121 ( -2.618 17.061 0.000) 17.260 13.723 ( 14.379 -12.494 0.000) 19.049 13.723 ( 14.379 12.494 0.000) 19.049 14.329 ( 5.149 -7.612 0.000) 9.190 14.329 ( 5.149 7.612 0.000) 9.190 15.312 ( -3.749 -13.775 0.000) 14.275 15.312 ( -3.749 13.775 0.000) 14.275 15.953 ( -7.371 -9.099 0.000) 11.710 15.953 ( -7.371 9.099 0.000) 11.710 16.780 ( 20.469 -6.976 0.000) 21.625 16.780 ( 20.469 6.976 0.000) 21.625 17.154 ( 2.972 -7.541 0.000) 8.106 17.154 ( 2.972 7.541 0.000) 8.106 18.306 ( 5.070 -4.353 0.000) 6.682 18.306 ( 5.070 4.353 0.000) 6.682 18.877 ( -11.732 -12.502 0.000) 17.144 18.877 ( -11.732 12.502 0.000) 17.144 19.657 ( 2.077 -2.531 0.000) 3.274 19.657 ( 2.077 2.531 0.000) 3.274 20.328 ( -6.154 -3.926 0.000) 7.300 20.328 ( -6.154 3.926 0.000) 7.300 21.209 ( 3.994 -4.894 0.000) 6.317 21.209 ( 3.994 4.894 0.000) 6.317 22.326 ( -10.793 -5.084 0.000) 11.931 22.326 ( -10.793 5.084 0.000) 11.931 ======================= Grid point 61 (34/144) ======================= q-point: ( 0.30 -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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.964 ( 7.192 -11.720 0.000) 13.751 2.964 ( 7.192 11.720 0.000) 13.751 3.212 ( -0.907 -13.884 0.000) 13.914 3.212 ( -0.907 13.884 0.000) 13.914 4.259 ( 16.447 -7.055 0.000) 17.896 4.259 ( 16.447 7.055 0.000) 17.896 4.553 ( -5.323 -14.304 0.000) 15.262 4.553 ( -5.323 14.304 0.000) 15.262 5.754 ( 4.934 -5.820 0.000) 7.630 5.754 ( 4.934 5.820 0.000) 7.630 5.852 ( 5.820 -9.571 0.000) 11.202 5.852 ( 5.820 9.571 0.000) 11.202 6.579 ( -5.377 -2.527 0.000) 5.941 6.579 ( -5.377 2.527 0.000) 5.941 6.914 ( -8.084 -9.038 0.000) 12.125 6.914 ( -8.084 9.038 0.000) 12.125 7.016 ( 1.176 -16.473 0.000) 16.515 7.016 ( 1.176 16.473 0.000) 16.515 7.597 ( -0.140 -15.835 0.000) 15.836 7.597 ( -0.140 15.835 0.000) 15.836 8.372 ( -11.123 -6.514 0.000) 12.890 8.372 ( -11.123 6.514 0.000) 12.890 8.387 ( -15.833 -12.559 0.000) 20.209 8.387 ( -15.833 12.559 0.000) 20.209 9.076 ( -0.579 -10.990 0.000) 11.006 9.076 ( -0.579 10.990 0.000) 11.006 9.368 ( -3.221 -0.469 0.000) 3.255 9.368 ( -3.221 0.469 0.000) 3.255 10.206 ( 6.714 -4.315 0.000) 7.981 10.206 ( 6.714 4.315 0.000) 7.981 10.705 ( -3.857 -6.151 0.000) 7.260 10.705 ( -3.857 6.151 0.000) 7.260 12.981 ( 2.608 -13.766 0.000) 14.010 12.981 ( 2.608 13.766 0.000) 14.010 13.088 ( -0.910 -12.205 0.000) 12.239 13.088 ( -0.910 12.205 0.000) 12.239 14.002 ( 13.923 -8.353 0.000) 16.237 14.002 ( 13.923 8.353 0.000) 16.237 14.405 ( 2.577 -8.035 0.000) 8.438 14.405 ( 2.577 8.035 0.000) 8.438 15.274 ( -0.011 -15.322 0.000) 15.322 15.274 ( -0.011 15.322 0.000) 15.322 15.791 ( -9.272 -11.751 0.000) 14.968 15.791 ( -9.272 11.751 0.000) 14.968 17.155 ( 17.443 -8.993 0.000) 19.625 17.155 ( 17.443 8.993 0.000) 19.625 17.230 ( 4.935 -6.437 0.000) 8.111 17.230 ( 4.935 6.437 0.000) 8.111 18.389 ( 3.202 -4.490 0.000) 5.514 18.389 ( 3.202 4.490 0.000) 5.514 18.644 ( -11.757 -13.821 0.000) 18.145 18.644 ( -11.757 13.821 0.000) 18.145 19.709 ( 3.410 -3.173 0.000) 4.658 19.709 ( 3.410 3.173 0.000) 4.658 20.198 ( -7.293 -3.993 0.000) 8.315 20.198 ( -7.293 3.993 0.000) 8.315 21.305 ( 6.094 -4.459 0.000) 7.551 21.305 ( 6.094 4.459 0.000) 7.551 22.098 ( -12.584 -5.921 0.000) 13.907 22.098 ( -12.584 5.921 0.000) 13.907 ======================= Grid point 63 (35/144) ======================= q-point: ( 0.40 -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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.082 ( 5.141 -9.133 0.000) 10.481 3.082 ( 5.141 9.133 0.000) 10.481 3.195 ( -1.108 -10.396 0.000) 10.455 3.195 ( -1.108 10.396 0.000) 10.455 4.445 ( 3.148 -7.635 0.000) 8.259 4.445 ( 3.148 7.635 0.000) 8.259 4.468 ( -2.988 -11.560 0.000) 11.940 4.468 ( -2.988 11.560 0.000) 11.940 5.918 ( 10.278 -7.660 0.000) 12.819 5.918 ( 10.278 7.660 0.000) 12.819 5.962 ( 5.314 -9.360 0.000) 10.763 5.962 ( 5.314 9.360 0.000) 10.763 6.484 ( -2.281 -4.291 0.000) 4.860 6.484 ( -2.281 4.291 0.000) 4.860 6.746 ( -9.630 -5.864 0.000) 11.275 6.746 ( -9.630 5.864 0.000) 11.275 7.126 ( 9.627 -18.925 0.000) 21.233 7.126 ( 9.627 18.925 0.000) 21.233 7.575 ( -4.409 -15.301 0.000) 15.923 7.575 ( -4.409 15.301 0.000) 15.923 8.074 ( -12.620 -10.215 0.000) 16.236 8.074 ( -12.620 10.215 0.000) 16.236 8.167 ( -9.852 -7.100 0.000) 12.144 8.167 ( -9.852 7.100 0.000) 12.144 9.117 ( 4.004 -3.953 0.000) 5.627 9.117 ( 4.004 3.953 0.000) 5.627 9.297 ( -4.241 -2.036 0.000) 4.705 9.297 ( -4.241 2.036 0.000) 4.705 10.342 ( 7.309 -2.869 0.000) 7.852 10.342 ( 7.309 2.869 0.000) 7.852 10.608 ( -6.064 -4.213 0.000) 7.384 10.608 ( -6.064 4.213 0.000) 7.384 13.028 ( 2.142 -14.825 0.000) 14.979 13.028 ( 2.142 14.825 0.000) 14.979 13.077 ( -0.527 -11.451 0.000) 11.463 13.077 ( -0.527 11.451 0.000) 11.463 14.234 ( 9.837 -6.773 0.000) 11.944 14.234 ( 9.837 6.773 0.000) 11.944 14.424 ( -0.683 -7.404 0.000) 7.435 14.424 ( -0.683 7.404 0.000) 7.435 15.315 ( 4.306 -15.938 0.000) 16.509 15.315 ( 4.306 15.938 0.000) 16.509 15.607 ( -9.632 -13.968 0.000) 16.967 15.607 ( -9.632 13.968 0.000) 16.967 17.338 ( 6.017 -5.620 0.000) 8.233 17.338 ( 6.017 5.620 0.000) 8.233 17.403 ( 7.372 -9.315 0.000) 11.879 17.403 ( 7.372 9.315 0.000) 11.879 18.421 ( 0.189 -5.992 0.000) 5.995 18.421 ( 0.189 5.992 0.000) 5.995 18.464 ( -6.122 -13.290 0.000) 14.632 18.464 ( -6.122 13.290 0.000) 14.632 19.792 ( 5.317 -3.676 0.000) 6.463 19.792 ( 5.317 3.676 0.000) 6.464 20.053 ( -7.643 -4.076 0.000) 8.662 20.053 ( -7.643 4.076 0.000) 8.662 21.446 ( 8.572 -4.345 0.000) 9.611 21.446 ( 8.572 4.345 0.000) 9.611 21.856 ( -12.347 -5.648 0.000) 13.578 21.856 ( -12.347 5.648 0.000) 13.578 ======================= Grid point 65 (36/144) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.159 ( -0.227 -8.265 0.000) 8.268 3.159 ( -0.227 8.265 0.000) 8.268 3.159 ( 0.227 -8.265 0.000) 8.268 3.159 ( 0.227 8.265 0.000) 8.268 4.449 ( -0.522 -8.973 0.000) 8.988 4.449 ( 0.522 -8.973 0.000) 8.988 4.449 ( -0.522 8.973 0.000) 8.988 4.449 ( 0.522 8.973 0.000) 8.988 6.028 ( -0.008 -7.793 0.000) 7.793 6.028 ( 0.008 -7.793 0.000) 7.793 6.028 ( -0.008 7.793 0.000) 7.793 6.028 ( 0.008 7.793 0.000) 7.793 6.555 ( -8.284 -2.652 0.000) 8.698 6.555 ( -8.284 2.652 0.000) 8.698 6.555 ( 8.284 -2.652 0.000) 8.698 6.555 ( 8.284 2.652 0.000) 8.698 7.368 ( -13.919 -16.344 0.000) 21.468 7.368 ( 13.919 -16.344 0.000) 21.468 7.368 ( -13.919 16.344 0.000) 21.468 7.368 ( 13.919 16.344 0.000) 21.468 8.015 ( -0.813 -6.453 0.000) 6.504 8.015 ( -0.813 6.453 0.000) 6.504 8.015 ( 0.813 -6.453 0.000) 6.504 8.015 ( 0.813 6.453 0.000) 6.504 9.207 ( -0.906 -0.996 0.000) 1.347 9.207 ( -0.906 0.996 0.000) 1.347 9.207 ( 0.906 -0.996 0.000) 1.347 9.207 ( 0.906 0.996 0.000) 1.347 10.481 ( -0.974 -2.494 0.000) 2.677 10.481 ( -0.974 2.494 0.000) 2.677 10.481 ( 0.974 -2.494 0.000) 2.677 10.481 ( 0.974 2.494 0.000) 2.677 13.061 ( -0.906 -13.414 0.000) 13.444 13.061 ( 0.906 -13.414 0.000) 13.444 13.061 ( -0.906 13.414 0.000) 13.444 13.061 ( 0.906 13.414 0.000) 13.444 14.374 ( -0.998 -6.731 0.000) 6.804 14.374 ( -0.998 6.731 0.000) 6.804 14.374 ( 0.998 -6.731 0.000) 6.804 14.374 ( 0.998 6.731 0.000) 6.804 15.435 ( -1.532 -15.424 0.000) 15.500 15.435 ( -1.532 15.424 0.000) 15.500 15.435 ( 1.532 -15.424 0.000) 15.500 15.435 ( 1.532 15.424 0.000) 15.500 17.435 ( -0.467 -6.861 0.000) 6.876 17.435 ( -0.467 6.861 0.000) 6.876 17.435 ( 0.467 -6.861 0.000) 6.876 17.435 ( 0.467 6.861 0.000) 6.876 18.414 ( -0.000 -9.493 0.000) 9.493 18.414 ( 0.000 -9.493 0.000) 9.493 18.414 ( -0.000 9.493 0.000) 9.493 18.414 ( 0.000 9.493 0.000) 9.493 19.911 ( -4.754 -4.002 0.000) 6.214 19.911 ( -4.754 4.002 0.000) 6.214 19.911 ( 4.754 -4.002 0.000) 6.214 19.911 ( 4.754 4.002 0.000) 6.214 21.632 ( -9.802 -4.858 0.000) 10.940 21.632 ( -9.802 4.858 0.000) 10.940 21.632 ( 9.802 -4.858 0.000) 10.940 21.632 ( 9.802 4.858 0.000) 10.940 ======================= Grid point 121 (37/144) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( 0.000 0.000 38.208) 38.208 0.810 ( 0.000 0.000 40.152) 40.152 1.285 ( 0.000 0.000 64.687) 64.687 2.499 ( 0.000 0.000 2.464) 2.464 2.745 ( 0.000 0.000 -6.341) 6.341 4.459 ( 0.000 0.000 6.935) 6.935 4.617 ( 0.000 0.000 2.562) 2.562 5.203 ( 0.000 0.000 -27.570) 27.570 5.224 ( 0.000 0.000 -4.629) 4.629 5.598 ( 0.000 0.000 2.726) 2.726 5.710 ( 0.000 0.000 -2.937) 2.937 6.077 ( 0.000 0.000 17.178) 17.178 6.283 ( 0.000 0.000 -15.218) 15.218 6.544 ( 0.000 0.000 -11.997) 11.997 6.964 ( 0.000 0.000 0.799) 0.799 7.159 ( 0.000 0.000 15.510) 15.510 7.279 ( 0.000 0.000 4.521) 4.521 7.436 ( 0.000 0.000 -19.034) 19.034 8.027 ( 0.000 0.000 17.798) 17.798 8.062 ( 0.000 0.000 -15.990) 15.990 8.207 ( 0.000 0.000 -0.042) 0.042 8.261 ( 0.000 0.000 0.186) 0.186 8.881 ( 0.000 0.000 -1.696) 1.696 8.923 ( 0.000 0.000 -2.627) 2.627 9.082 ( 0.000 0.000 1.801) 1.801 9.189 ( 0.000 0.000 -0.317) 0.317 9.666 ( 0.000 0.000 7.690) 7.690 10.310 ( 0.000 0.000 -8.557) 8.557 10.348 ( 0.000 0.000 2.837) 2.837 10.669 ( 0.000 0.000 2.389) 2.389 11.343 ( 0.000 0.000 0.354) 0.354 11.477 ( 0.000 0.000 -4.710) 4.710 11.532 ( 0.000 0.000 -3.139) 3.139 11.574 ( 0.000 0.000 -1.612) 1.612 12.952 ( 0.000 0.000 4.207) 4.207 13.060 ( 0.000 0.000 11.573) 11.573 13.343 ( 0.000 0.000 -2.341) 2.341 13.912 ( 0.000 0.000 -3.156) 3.156 14.755 ( 0.000 0.000 8.495) 8.495 15.433 ( 0.000 0.000 2.446) 2.446 15.611 ( 0.000 0.000 -4.193) 4.193 15.787 ( 0.000 0.000 -1.439) 1.439 16.131 ( 0.000 0.000 2.454) 2.454 16.438 ( 0.000 0.000 -2.310) 2.310 16.714 ( 0.000 0.000 -1.037) 1.037 17.136 ( 0.000 0.000 -5.695) 5.695 17.289 ( 0.000 0.000 7.075) 7.075 17.553 ( 0.000 0.000 2.881) 2.881 17.972 ( 0.000 0.000 -4.170) 4.170 18.336 ( 0.000 0.000 -11.470) 11.470 19.224 ( 0.000 0.000 6.980) 6.980 19.417 ( 0.000 0.000 4.962) 4.962 19.601 ( 0.000 0.000 -0.374) 0.374 19.711 ( 0.000 0.000 -0.193) 0.193 19.729 ( 0.000 0.000 -1.229) 1.229 19.954 ( 0.000 0.000 -4.360) 4.360 20.538 ( 0.000 0.000 2.791) 2.791 20.728 ( 0.000 0.000 -0.722) 0.722 22.831 ( 0.000 0.000 1.625) 1.625 23.045 ( 0.000 0.000 -1.671) 1.671 ======================= Grid point 122 (38/144) ======================= q-point: ( 0.10 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 16.513 0.000 31.481) 35.549 1.105 ( 24.766 0.000 30.332) 39.159 1.799 ( 48.151 0.000 40.974) 63.225 2.549 ( 4.740 0.000 1.286) 4.911 2.916 ( 16.753 0.000 -6.451) 17.953 4.458 ( -0.241 0.000 8.664) 8.667 4.698 ( 5.236 0.000 -4.492) 6.899 4.989 ( -16.870 0.000 -23.825) 29.192 5.255 ( 0.919 0.000 -4.376) 4.471 5.634 ( 3.264 0.000 2.745) 4.265 5.679 ( -5.060 0.000 2.127) 5.489 5.928 ( -12.158 0.000 13.825) 18.410 6.367 ( 6.558 0.000 -17.522) 18.709 6.560 ( 1.123 0.000 -8.063) 8.140 6.928 ( -3.046 0.000 -2.003) 3.646 7.253 ( 5.656 0.000 7.611) 9.482 7.335 ( 8.206 0.000 7.275) 10.967 7.548 ( 6.344 0.000 -15.956) 17.171 7.770 ( -18.556 0.000 -16.811) 25.039 7.996 ( -2.664 0.000 16.798) 17.008 8.231 ( 2.121 0.000 -2.043) 2.945 8.269 ( -5.892 0.000 6.456) 8.741 8.435 ( -28.880 0.000 -0.234) 28.881 8.933 ( -1.348 0.000 3.923) 4.148 9.111 ( -6.911 0.000 -0.105) 6.912 9.249 ( 7.430 0.000 -5.070) 8.995 9.769 ( 9.853 0.000 8.704) 13.147 10.205 ( -15.965 0.000 16.043) 22.633 10.362 ( 1.034 0.000 2.488) 2.695 10.634 ( -6.556 0.000 4.277) 7.828 10.720 ( -2.140 0.000 10.488) 10.705 11.394 ( -9.827 0.000 -1.181) 9.898 11.516 ( 0.941 0.000 -2.419) 2.596 11.646 ( 2.990 0.000 -3.940) 4.946 12.942 ( -0.604 0.000 3.823) 3.870 13.323 ( -2.523 0.000 -2.239) 3.373 13.907 ( -0.066 0.000 -1.837) 1.838 13.922 ( 36.589 0.000 -29.219) 46.824 14.706 ( -4.544 0.000 8.536) 9.670 15.397 ( -3.382 0.000 2.511) 4.212 15.552 ( -6.796 0.000 -2.771) 7.339 15.756 ( -2.262 0.000 -2.356) 3.266 16.162 ( 2.725 0.000 2.138) 3.464 16.294 ( -11.676 0.000 9.185) 14.856 16.623 ( 0.261 0.000 14.637) 14.639 17.103 ( -2.861 0.000 -4.700) 5.502 17.174 ( -3.120 0.000 -0.940) 3.259 17.592 ( 4.058 0.000 1.687) 4.394 18.053 ( 4.173 0.000 -2.525) 4.878 18.391 ( 4.276 0.000 -11.875) 12.621 19.249 ( 2.134 0.000 7.645) 7.937 19.403 ( 1.069 0.000 2.094) 2.351 19.675 ( -1.673 0.000 -1.722) 2.401 19.738 ( 2.106 0.000 -2.266) 3.093 19.970 ( 0.987 0.000 -2.144) 2.360 20.222 ( 29.791 0.000 -33.475) 44.812 20.566 ( 2.490 0.000 2.119) 3.270 20.743 ( 3.520 0.000 -2.873) 4.543 22.664 ( -25.651 0.000 22.029) 33.812 22.783 ( -4.945 0.000 1.412) 5.143 ======================= Grid point 123 (39/144) ======================= q-point: ( 0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 21.128 0.000 19.758) 28.927 1.603 ( 26.674 0.000 21.926) 34.529 2.651 ( 4.947 0.000 -1.125) 5.073 2.835 ( 55.024 0.000 20.355) 58.669 3.310 ( 21.390 0.000 -8.184) 22.903 4.459 ( 0.750 0.000 10.604) 10.630 4.664 ( -14.445 0.000 -17.260) 22.507 4.793 ( 5.338 0.000 -4.618) 7.058 5.261 ( -0.857 0.000 -4.047) 4.136 5.451 ( -16.845 0.000 19.853) 26.037 5.715 ( 5.142 0.000 3.053) 5.980 5.742 ( -6.833 0.000 -1.349) 6.965 6.491 ( 5.247 0.000 -13.206) 14.210 6.570 ( 0.582 0.000 -7.182) 7.205 6.847 ( -5.596 0.000 -6.473) 8.556 7.314 ( 2.041 0.000 4.154) 4.628 7.367 ( -16.603 0.000 -6.763) 17.927 7.567 ( 12.261 0.000 3.091) 12.645 7.706 ( 2.995 0.000 -20.196) 20.417 7.851 ( -26.950 0.000 0.607) 26.957 7.948 ( -1.761 0.000 15.109) 15.211 8.121 ( -11.935 0.000 4.028) 12.597 8.265 ( 0.563 0.000 -5.564) 5.593 8.830 ( -8.785 0.000 14.684) 17.111 8.990 ( -3.901 0.000 -0.328) 3.915 9.375 ( 6.303 0.000 -9.132) 11.096 9.966 ( -7.221 0.000 13.659) 15.451 9.996 ( 12.341 0.000 8.780) 15.146 10.371 ( -0.202 0.000 2.659) 2.667 10.611 ( -1.159 0.000 -0.420) 1.233 10.809 ( 7.521 0.000 -0.477) 7.536 11.181 ( -11.914 0.000 -1.323) 11.987 11.533 ( 0.722 0.000 -1.525) 1.688 11.676 ( 0.191 0.000 -4.590) 4.594 12.923 ( -1.442 0.000 3.709) 3.979 13.227 ( -7.672 0.000 -1.446) 7.807 13.932 ( 3.119 0.000 0.938) 3.257 14.308 ( 8.916 0.000 -16.025) 18.338 14.612 ( -4.481 0.000 8.258) 9.395 15.328 ( -3.161 0.000 2.403) 3.971 15.361 ( -12.032 0.000 0.035) 12.032 15.723 ( -1.612 0.000 -5.410) 5.645 16.149 ( -4.038 0.000 10.163) 10.936 16.212 ( 2.029 0.000 1.140) 2.328 16.695 ( 5.672 0.000 10.411) 11.855 17.050 ( -2.267 0.000 -2.831) 3.627 17.172 ( 2.526 0.000 -5.389) 5.952 17.703 ( 7.090 0.000 -1.040) 7.165 18.127 ( 3.652 0.000 1.133) 3.824 18.432 ( -1.272 0.000 -10.119) 10.199 19.279 ( 0.810 0.000 6.203) 6.255 19.437 ( 2.135 0.000 0.597) 2.217 19.734 ( 8.628 0.000 -2.057) 8.869 19.797 ( 4.101 0.000 -1.369) 4.323 19.980 ( 0.246 0.000 0.102) 0.267 20.429 ( -1.959 0.000 -14.832) 14.961 20.611 ( 1.820 0.000 1.298) 2.236 20.923 ( 11.593 0.000 -19.346) 22.554 22.265 ( -16.261 0.000 24.374) 29.301 22.648 ( -8.886 0.000 0.963) 8.938 ======================= Grid point 124 (40/144) ======================= q-point: ( 0.30 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 19.947 0.000 11.579) 23.065 2.103 ( 24.707 0.000 13.455) 28.133 2.708 ( 0.729 0.000 -2.416) 2.524 3.580 ( 2.812 0.000 -13.222) 13.518 3.791 ( 42.018 0.000 11.038) 43.444 4.505 ( 4.376 0.000 9.014) 10.020 4.532 ( 1.656 0.000 -5.498) 5.741 4.923 ( 8.318 0.000 -1.742) 8.498 5.097 ( -13.248 0.000 15.446) 20.349 5.278 ( -1.088 0.000 -0.958) 1.450 5.629 ( -4.903 0.000 -0.190) 4.906 5.822 ( 5.572 0.000 2.670) 6.179 6.477 ( -4.442 0.000 1.152) 4.589 6.673 ( 7.992 0.000 -17.633) 19.359 6.739 ( -3.758 0.000 -9.808) 10.504 7.049 ( -17.898 0.000 -4.231) 18.391 7.342 ( 1.004 0.000 3.091) 3.250 7.408 ( -17.145 0.000 -7.296) 18.633 7.720 ( 2.634 0.000 -0.673) 2.719 7.723 ( -2.700 0.000 -9.301) 9.685 7.903 ( -8.725 0.000 7.303) 11.378 7.940 ( 0.559 0.000 12.622) 12.634 8.231 ( -3.847 0.000 -1.213) 4.034 8.634 ( -10.917 0.000 18.837) 21.772 9.013 ( 6.367 0.000 -5.645) 8.509 9.490 ( 5.149 0.000 -14.277) 15.177 9.876 ( -2.945 0.000 5.833) 6.534 10.159 ( 2.447 0.000 2.821) 3.735 10.383 ( 2.359 0.000 6.579) 6.989 10.557 ( -4.111 0.000 -0.481) 4.140 10.943 ( 5.533 0.000 -1.014) 5.625 10.973 ( -8.286 0.000 -1.941) 8.511 11.541 ( 0.158 0.000 -1.048) 1.060 11.658 ( -1.879 0.000 -3.879) 4.310 12.887 ( -2.242 0.000 3.600) 4.241 13.049 ( -9.737 0.000 0.493) 9.750 14.025 ( 6.136 0.000 2.809) 6.748 14.380 ( 0.094 0.000 -5.625) 5.626 14.559 ( -0.630 0.000 7.471) 7.498 15.122 ( -12.411 0.000 1.150) 12.464 15.292 ( -0.297 0.000 1.579) 1.607 15.669 ( -4.478 0.000 -5.950) 7.447 16.109 ( -0.405 0.000 4.543) 4.561 16.231 ( -0.114 0.000 -0.315) 0.335 16.813 ( 6.133 0.000 6.861) 9.202 17.020 ( -0.936 0.000 -1.176) 1.503 17.270 ( 7.600 0.000 -5.450) 9.352 17.837 ( 5.808 0.000 -5.297) 7.861 18.189 ( 2.683 0.000 3.797) 4.649 18.340 ( -7.246 0.000 -3.073) 7.871 19.305 ( 2.420 0.000 2.553) 3.517 19.474 ( 1.498 0.000 -0.561) 1.600 19.894 ( 5.965 0.000 -0.543) 5.989 19.945 ( 8.204 0.000 -2.024) 8.450 20.004 ( 5.585 0.000 0.640) 5.621 20.327 ( -7.018 0.000 -6.592) 9.629 20.635 ( 1.247 0.000 1.093) 1.658 21.086 ( 4.784 0.000 -19.324) 19.908 22.020 ( -9.209 0.000 19.688) 21.735 22.452 ( -11.202 0.000 0.746) 11.227 ======================= Grid point 125 (41/144) ======================= q-point: ( 0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( 16.191 0.000 6.074) 17.293 2.465 ( 6.775 0.000 4.712) 8.252 2.749 ( 9.999 0.000 0.166) 10.000 3.434 ( -14.938 0.000 -10.157) 18.064 4.369 ( 17.796 0.000 6.262) 18.866 4.579 ( -0.318 0.000 3.364) 3.379 4.627 ( 8.083 0.000 4.657) 9.329 4.933 ( -5.778 0.000 7.477) 9.450 5.099 ( 9.280 0.000 0.839) 9.318 5.304 ( 2.092 0.000 -5.098) 5.511 5.603 ( 5.339 0.000 5.471) 7.645 5.904 ( 2.112 0.000 0.608) 2.198 6.381 ( -4.648 0.000 2.873) 5.464 6.631 ( -18.085 0.000 -1.116) 18.119 6.825 ( 7.340 0.000 -17.203) 18.703 6.833 ( 7.788 0.000 -7.912) 11.102 7.196 ( -5.458 0.000 -12.252) 13.413 7.363 ( 1.318 0.000 1.192) 1.777 7.598 ( -7.920 0.000 4.459) 9.089 7.652 ( -9.923 0.000 -2.333) 10.194 7.837 ( 0.355 0.000 2.554) 2.579 7.933 ( -2.100 0.000 6.474) 6.806 8.176 ( 0.267 0.000 11.652) 11.655 8.430 ( -10.115 0.000 18.537) 21.117 9.194 ( 11.133 0.000 -11.262) 15.835 9.526 ( -2.621 0.000 -16.768) 16.971 9.870 ( 3.211 0.000 0.975) 3.355 10.113 ( -5.535 0.000 -3.297) 6.443 10.407 ( -0.678 0.000 6.838) 6.872 10.470 ( -4.441 0.000 1.334) 4.637 10.915 ( 1.978 0.000 -0.303) 2.001 11.005 ( 0.902 0.000 -0.419) 0.994 11.545 ( 0.509 0.000 -1.167) 1.273 11.612 ( -2.632 0.000 -2.686) 3.761 12.844 ( -1.923 0.000 3.631) 4.108 12.892 ( -5.949 0.000 2.429) 6.426 14.149 ( 6.421 0.000 3.112) 7.136 14.345 ( -3.313 0.000 -0.333) 3.329 14.594 ( 4.178 0.000 6.371) 7.619 14.897 ( -10.864 0.000 2.766) 11.211 15.321 ( 3.326 0.000 -0.009) 3.326 15.552 ( -7.163 0.000 -4.064) 8.235 16.126 ( 1.881 0.000 -0.034) 1.881 16.211 ( -1.744 0.000 -1.555) 2.337 16.917 ( 4.457 0.000 3.888) 5.915 17.006 ( -0.784 0.000 0.228) 0.816 17.455 ( 11.326 0.000 -6.243) 12.932 17.863 ( -4.689 0.000 -11.415) 12.341 18.225 ( 0.906 0.000 5.772) 5.842 18.226 ( -2.632 0.000 6.799) 7.291 19.370 ( 4.055 0.000 0.268) 4.064 19.484 ( -0.697 0.000 -1.096) 1.299 20.001 ( 2.426 0.000 -0.297) 2.444 20.019 ( 6.775 0.000 -0.424) 6.788 20.161 ( 4.147 0.000 -1.954) 4.584 20.188 ( -7.004 0.000 -3.225) 7.711 20.708 ( 7.683 0.000 0.024) 7.683 21.086 ( -5.162 0.000 -12.450) 13.478 21.934 ( 0.663 0.000 11.995) 12.013 22.231 ( -11.457 0.000 1.473) 11.551 ======================= Grid point 126 (42/144) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( -10.595 0.000 2.715) 10.937 2.374 ( 10.595 0.000 2.715) 10.937 3.087 ( -19.831 0.000 -2.571) 19.996 3.087 ( 19.831 0.000 -2.571) 19.996 4.543 ( -3.355 0.000 4.906) 5.944 4.543 ( 3.355 0.000 4.906) 5.944 4.794 ( -4.639 0.000 2.275) 5.167 4.794 ( 4.639 0.000 2.275) 5.167 5.253 ( -5.936 0.000 0.028) 5.936 5.253 ( 5.936 0.000 0.028) 5.936 5.830 ( -11.554 0.000 0.941) 11.592 5.830 ( 11.554 0.000 0.941) 11.592 6.361 ( -3.645 0.000 4.126) 5.506 6.361 ( 3.645 0.000 4.126) 5.506 6.934 ( -0.685 0.000 -15.833) 15.847 6.934 ( 0.685 0.000 -15.833) 15.847 7.292 ( -13.459 0.000 -10.025) 16.783 7.292 ( 13.459 0.000 -10.025) 16.783 7.487 ( -0.785 0.000 8.347) 8.384 7.487 ( 0.785 0.000 8.347) 8.384 7.874 ( -1.360 0.000 3.608) 3.855 7.874 ( 1.360 0.000 3.608) 3.855 8.258 ( -5.192 0.000 17.177) 17.945 8.258 ( 5.192 0.000 17.177) 17.945 9.399 ( -9.137 0.000 -14.072) 16.778 9.399 ( 9.137 0.000 -14.072) 16.778 9.982 ( -3.538 0.000 -4.483) 5.711 9.982 ( 3.538 0.000 -4.483) 5.711 10.407 ( -0.113 0.000 4.487) 4.488 10.407 ( 0.113 0.000 4.487) 4.488 10.980 ( -1.779 0.000 0.138) 1.784 10.980 ( 1.779 0.000 0.138) 1.784 11.567 ( -0.659 0.000 -1.711) 1.833 11.567 ( 0.659 0.000 -1.711) 1.833 12.829 ( -0.344 0.000 3.453) 3.470 12.829 ( 0.344 0.000 3.453) 3.470 14.262 ( -2.563 0.000 2.118) 3.325 14.262 ( 2.563 0.000 2.118) 3.325 14.713 ( -7.394 0.000 4.787) 8.808 14.713 ( 7.394 0.000 4.787) 8.808 15.417 ( -6.302 0.000 -1.974) 6.604 15.417 ( 6.302 0.000 -1.974) 6.604 16.170 ( -1.690 0.000 -1.794) 2.465 16.170 ( 1.690 0.000 -1.794) 2.465 16.980 ( -2.155 0.000 1.773) 2.791 16.980 ( 2.155 0.000 1.773) 2.791 17.684 ( -11.171 0.000 -9.141) 14.434 17.684 ( 11.171 0.000 -9.141) 14.434 18.224 ( -0.028 0.000 7.448) 7.448 18.224 ( 0.028 0.000 7.448) 7.448 19.445 ( -2.412 0.000 -0.821) 2.548 19.445 ( 2.412 0.000 -0.821) 2.548 20.070 ( -1.175 0.000 -1.495) 1.902 20.070 ( 1.175 0.000 -1.495) 1.902 20.140 ( -2.451 0.000 -0.855) 2.596 20.140 ( 2.451 0.000 -0.855) 2.596 20.911 ( -6.493 0.000 -4.507) 7.904 20.911 ( 6.493 0.000 -4.507) 7.904 22.032 ( -8.434 0.000 4.574) 9.595 22.032 ( 8.434 0.000 4.574) 9.595 ======================= Grid point 132 (43/144) ======================= q-point: ( 0.00 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 0.000 14.191 26.963) 30.470 0.963 ( 0.000 17.316 28.486) 33.337 1.741 ( 0.000 32.640 49.212) 59.052 2.619 ( 0.000 11.161 0.199) 11.162 2.829 ( 0.000 4.902 -12.330) 13.269 4.409 ( 0.000 -7.026 -0.386) 7.037 4.589 ( 0.000 0.172 5.653) 5.656 5.194 ( 0.000 -1.058 -17.836) 17.867 5.384 ( 0.000 8.117 -11.733) 14.267 5.676 ( 0.000 7.058 3.901) 8.064 5.679 ( 0.000 -2.535 -1.253) 2.828 6.204 ( 0.000 11.714 10.677) 15.850 6.258 ( 0.000 -5.356 -18.456) 19.217 6.468 ( 0.000 -10.345 -3.414) 10.894 6.974 ( 0.000 9.221 -9.765) 13.430 7.216 ( 0.000 -5.839 3.958) 7.054 7.386 ( 0.000 13.959 10.314) 17.356 7.409 ( 0.000 -2.581 -15.810) 16.019 7.965 ( 0.000 -13.795 0.839) 13.821 8.002 ( 0.000 0.223 0.181) 0.288 8.136 ( 0.000 4.702 2.017) 5.117 8.428 ( 0.000 6.475 1.971) 6.768 8.815 ( 0.000 -5.676 -4.018) 6.954 8.922 ( 0.000 -0.096 -3.581) 3.582 9.109 ( 0.000 3.110 -0.954) 3.253 9.216 ( 0.000 2.131 -0.577) 2.207 9.720 ( 0.000 4.463 6.874) 8.196 10.142 ( 0.000 -17.187 6.943) 18.536 10.340 ( 0.000 -0.933 2.008) 2.214 10.547 ( 0.000 -13.324 2.540) 13.564 10.720 ( 0.000 -25.925 29.567) 39.324 11.480 ( 0.000 -6.865 -1.947) 7.136 11.554 ( 0.000 5.926 -2.938) 6.615 11.718 ( 0.000 15.383 -3.484) 15.773 12.936 ( 0.000 -1.445 4.152) 4.396 13.074 ( 0.000 1.129 10.511) 10.571 13.384 ( 0.000 3.952 -2.871) 4.885 13.942 ( 0.000 2.375 -3.815) 4.494 14.811 ( 0.000 3.532 4.955) 6.085 15.347 ( 0.000 -9.869 5.319) 11.211 15.545 ( 0.000 -13.273 -4.519) 14.021 15.689 ( 0.000 -1.606 0.343) 1.642 16.097 ( 0.000 -3.599 2.060) 4.147 16.314 ( 0.000 -14.621 14.101) 20.313 16.501 ( 0.000 -10.876 17.828) 20.884 16.698 ( 0.000 -1.867 -0.980) 2.109 17.126 ( 0.000 -2.526 -3.332) 4.181 18.003 ( 0.000 8.536 -3.675) 9.293 18.017 ( 0.000 2.608 -7.547) 7.986 18.266 ( 0.000 -5.314 -6.763) 8.601 19.105 ( 0.000 -17.716 3.123) 17.989 19.270 ( 0.000 -5.551 1.476) 5.744 19.280 ( 0.000 4.702 5.834) 7.493 19.705 ( 0.000 -1.327 -2.220) 2.587 20.046 ( 0.000 20.425 2.262) 20.550 20.512 ( 0.000 -1.707 2.488) 3.018 20.735 ( 0.000 0.557 -0.797) 0.972 20.837 ( 0.000 32.336 -28.641) 43.196 22.787 ( 0.000 -4.112 0.853) 4.200 22.863 ( 0.000 -11.180 3.098) 11.601 ======================= Grid point 133 (44/144) ======================= q-point: ( 0.10 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 18.584 12.542 19.829) 29.931 1.348 ( 26.497 16.487 22.689) 38.584 2.050 ( 33.907 21.942 38.193) 55.586 2.660 ( 3.959 10.282 -1.091) 11.072 2.970 ( 14.535 4.103 -9.094) 17.629 4.414 ( 0.367 -7.208 0.521) 7.236 4.579 ( -1.642 -2.687 2.513) 4.028 5.104 ( -9.131 3.240 -15.368) 18.167 5.358 ( -1.573 7.778 -7.905) 11.201 5.636 ( -3.391 2.902 7.081) 8.371 5.678 ( -1.231 -0.960 -0.267) 1.584 6.046 ( -12.595 11.112 9.232) 19.167 6.267 ( 1.910 -8.881 -14.086) 16.761 6.466 ( 0.706 -8.424 -4.377) 9.520 7.040 ( 3.419 6.484 -7.871) 10.756 7.274 ( 3.128 0.391 -0.509) 3.194 7.298 ( -0.220 0.250 -2.277) 2.302 7.605 ( 11.173 2.992 -5.303) 12.725 7.783 ( -15.329 1.200 -9.897) 18.286 7.992 ( -2.259 -6.130 5.912) 8.811 8.068 ( -4.468 -1.034 7.086) 8.440 8.356 ( -11.983 2.690 8.754) 15.082 8.535 ( -16.971 6.785 -5.072) 18.967 8.934 ( -1.270 0.107 4.517) 4.693 9.051 ( -5.891 -3.613 -1.973) 7.187 9.299 ( 6.513 3.156 -4.623) 8.588 9.733 ( 2.733 -4.253 10.123) 11.316 10.103 ( -4.577 -7.338 17.398) 19.429 10.345 ( 0.077 -1.779 1.872) 2.584 10.512 ( -0.147 -9.971 1.478) 10.081 10.640 ( 1.520 -5.877 9.026) 10.878 11.395 ( -7.778 -3.342 -1.916) 8.680 11.576 ( 1.324 5.995 -2.091) 6.485 11.751 ( 2.569 12.514 -3.317) 13.199 12.924 ( -0.652 -1.638 3.732) 4.127 13.356 ( -2.956 3.108 -2.921) 5.189 13.654 ( 33.744 -16.178 -9.305) 38.561 13.947 ( 1.948 2.043 -2.319) 3.654 14.756 ( -5.005 3.449 5.761) 8.374 15.298 ( -4.279 -10.161 5.490) 12.317 15.542 ( -1.700 -8.120 -5.599) 10.009 15.625 ( -4.795 -4.812 0.414) 6.806 16.112 ( 1.382 -3.065 4.769) 5.835 16.234 ( -3.527 -4.470 8.688) 10.388 16.550 ( 5.324 -4.824 11.806) 13.820 16.966 ( 17.325 -7.712 -2.766) 19.165 17.100 ( -1.360 -2.213 -2.299) 3.469 17.835 ( -10.616 13.799 -1.786) 17.502 18.035 ( -0.141 -3.440 -4.550) 5.706 18.322 ( 5.115 -5.250 -5.864) 9.386 19.122 ( 3.946 -15.761 0.111) 16.247 19.293 ( 1.533 4.206 6.110) 7.574 19.459 ( 11.794 -16.854 -1.808) 20.650 19.722 ( 1.763 -1.398 -2.173) 3.128 19.989 ( -4.670 17.967 1.980) 18.669 20.550 ( 2.304 -1.292 2.458) 3.608 20.667 ( -3.716 6.836 -5.594) 9.583 20.955 ( 8.585 20.552 -22.462) 31.633 22.573 ( -18.525 -5.899 11.889) 22.789 22.789 ( -5.607 -1.432 1.514) 5.981 ======================= Grid point 134 (45/144) ======================= q-point: ( 0.20 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 22.885 10.832 12.463) 28.220 1.790 ( 21.292 15.775 21.356) 34.033 2.745 ( 4.165 8.792 -3.239) 10.253 2.914 ( 49.774 7.347 18.637) 53.654 3.327 ( 19.771 1.593 -8.287) 21.497 4.416 ( -0.221 -7.347 0.788) 7.392 4.523 ( -3.274 -3.167 -0.108) 4.556 4.932 ( -5.958 5.503 -5.669) 9.895 5.338 ( -1.028 6.785 -4.693) 8.314 5.472 ( -13.281 3.111 17.156) 21.918 5.661 ( -1.537 -3.244 -0.112) 3.592 5.865 ( -4.111 9.921 1.003) 10.786 6.328 ( 3.370 -11.987 -7.153) 14.360 6.508 ( 3.866 -5.151 -9.506) 11.483 6.996 ( -7.390 7.953 -7.836) 13.389 7.212 ( -5.900 -4.512 -6.194) 9.671 7.444 ( 5.883 -2.539 -0.984) 6.483 7.529 ( -7.131 4.060 -12.097) 14.618 7.747 ( -4.622 -3.533 3.193) 6.636 7.814 ( -9.832 4.128 2.436) 10.938 7.980 ( -6.050 -8.266 3.779) 10.918 8.089 ( -7.119 9.565 5.755) 13.240 8.341 ( -6.603 3.735 -1.822) 7.802 8.838 ( -7.815 0.597 14.733) 16.688 8.951 ( -3.172 -2.724 -2.258) 4.752 9.423 ( 6.130 3.572 -8.540) 11.103 9.807 ( 3.111 -9.289 9.215) 13.449 10.071 ( 2.215 0.990 10.580) 10.854 10.325 ( -2.159 -3.888 0.522) 4.478 10.535 ( 0.748 -6.475 0.423) 6.532 10.745 ( 7.761 -5.178 1.306) 9.421 11.215 ( -10.355 0.824 -2.502) 10.685 11.599 ( 1.038 6.663 -1.682) 6.950 11.789 ( 1.032 11.759 -2.549) 12.076 12.906 ( -1.242 -1.430 3.116) 3.647 13.248 ( -8.197 2.013 -1.975) 8.669 13.929 ( 4.062 -1.320 -2.916) 5.171 14.162 ( 13.188 -9.834 -5.541) 17.359 14.655 ( -4.621 3.237 6.121) 8.324 15.202 ( -5.859 -8.802 4.240) 11.393 15.432 ( -7.413 2.902 -1.870) 8.178 15.586 ( -0.719 -12.498 -4.160) 13.192 16.132 ( 0.286 0.540 7.451) 7.476 16.211 ( 0.584 -2.518 0.375) 2.611 16.682 ( 7.830 -1.128 9.335) 12.236 17.037 ( -1.644 -1.188 -2.031) 2.870 17.238 ( 6.727 4.360 -5.451) 9.694 17.738 ( 2.043 4.331 -0.451) 4.810 18.021 ( -1.379 -9.780 -4.461) 10.838 18.413 ( 3.547 -1.545 -2.119) 4.411 19.225 ( 5.186 -9.338 -1.933) 10.855 19.352 ( 4.839 -0.387 5.927) 7.661 19.616 ( 5.044 -19.985 -3.178) 20.855 19.774 ( 3.782 -1.451 -1.977) 4.507 19.917 ( -2.100 10.403 1.315) 10.694 20.514 ( -5.352 0.470 -0.684) 5.416 20.665 ( 2.618 6.711 -1.570) 7.372 21.113 ( 7.437 12.789 -19.700) 24.636 22.237 ( -15.267 -2.331 17.086) 23.032 22.644 ( -9.343 -0.814 0.637) 9.400 ======================= Grid point 135 (46/144) ======================= q-point: ( 0.30 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( 19.933 11.068 8.279) 24.256 2.195 ( 20.605 8.727 13.807) 26.294 2.794 ( 0.733 8.006 -3.805) 8.895 3.564 ( 2.884 -1.566 -11.320) 11.786 3.800 ( 37.802 0.978 9.221) 38.923 4.441 ( 2.853 -4.401 4.913) 7.187 4.524 ( 5.726 -2.117 -2.253) 6.507 4.910 ( 2.970 1.207 4.865) 5.826 5.223 ( -8.923 8.406 14.977) 19.354 5.311 ( -2.379 3.883 -5.656) 7.261 5.607 ( -3.042 -1.439 2.438) 4.156 5.869 ( 2.731 4.921 0.115) 5.629 6.373 ( 1.514 -7.996 -0.722) 8.170 6.614 ( 6.542 -5.189 -15.469) 17.579 6.821 ( -8.322 4.953 -9.200) 13.358 7.031 ( -13.404 -1.668 -5.682) 14.654 7.324 ( -12.269 -4.426 -4.238) 13.714 7.482 ( -6.283 9.532 6.913) 13.347 7.576 ( 2.526 -6.409 -12.762) 14.503 7.795 ( -7.225 -7.360 6.183) 12.025 7.831 ( -4.211 3.192 3.515) 6.346 8.027 ( -1.983 5.586 3.737) 7.007 8.245 ( -3.696 1.244 2.412) 4.586 8.669 ( -9.256 3.030 19.369) 21.680 8.977 ( 6.211 -2.779 -7.258) 9.948 9.515 ( 2.691 1.438 -12.906) 13.261 9.827 ( -0.225 -4.475 5.040) 6.744 10.124 ( 0.812 -4.650 5.549) 7.285 10.273 ( -2.864 -6.470 -0.630) 7.104 10.560 ( 2.917 -1.931 2.914) 4.553 10.880 ( 5.404 -5.563 0.214) 7.759 11.021 ( -9.140 3.172 -2.794) 10.070 11.615 ( 0.675 7.669 -2.133) 7.989 11.787 ( -1.104 12.318 -0.623) 12.383 12.876 ( -1.853 -0.700 2.294) 3.031 13.066 ( -9.745 1.555 -0.078) 9.868 14.022 ( 5.621 -0.506 -0.699) 5.687 14.314 ( 3.709 -4.550 0.509) 5.892 14.604 ( -0.392 3.370 5.230) 6.234 15.060 ( -8.780 -5.000 2.392) 10.383 15.327 ( -2.926 2.232 -0.105) 3.682 15.554 ( -2.985 -10.747 -4.379) 11.983 16.130 ( -0.074 1.546 2.549) 2.982 16.229 ( 0.796 -0.984 -1.157) 1.715 16.827 ( 6.785 1.236 6.917) 9.768 17.017 ( -0.543 -0.187 0.032) 0.575 17.317 ( 4.146 5.052 -5.147) 8.319 17.839 ( 4.191 -0.750 -6.904) 8.111 17.989 ( -0.556 -12.313 -0.954) 12.362 18.450 ( 0.532 4.639 4.492) 6.479 19.306 ( 3.899 -1.332 -1.849) 4.516 19.448 ( 4.037 -3.676 2.294) 5.922 19.681 ( 2.070 -20.188 -2.993) 20.513 19.872 ( 6.383 -2.735 -0.873) 6.999 19.911 ( 0.970 -1.393 0.130) 1.702 20.400 ( -6.036 1.388 0.100) 6.195 20.725 ( 3.855 8.951 -1.323) 9.836 21.228 ( 4.091 9.960 -16.836) 19.985 21.998 ( -9.424 -2.041 16.329) 18.963 22.440 ( -11.661 -1.334 0.337) 11.742 ======================= Grid point 136 (47/144) ======================= q-point: ( 0.40 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( 14.914 9.959 4.741) 18.550 2.511 ( 7.815 4.404 4.747) 10.149 2.830 ( 7.486 7.489 -0.473) 10.600 3.430 ( -13.716 -0.356 -8.542) 16.162 4.302 ( 14.094 -5.867 5.354) 16.178 4.463 ( 0.150 -6.341 6.893) 9.367 4.701 ( 8.135 3.046 -3.301) 9.293 5.003 ( 4.248 3.683 9.165) 10.752 5.167 ( 1.425 7.931 5.218) 9.600 5.286 ( 0.257 -0.991 -5.892) 5.980 5.609 ( 6.004 1.006 6.296) 8.758 5.915 ( 0.861 1.549 -0.906) 1.991 6.381 ( -1.420 -0.258 2.187) 2.621 6.635 ( -11.455 -1.071 -5.349) 12.687 6.772 ( -3.784 -3.061 -10.333) 11.422 6.828 ( 10.270 -1.054 -9.728) 14.185 7.162 ( -3.849 -3.284 -8.942) 10.274 7.420 ( -2.184 5.156 1.758) 5.869 7.554 ( -4.809 -5.088 -4.530) 8.339 7.606 ( -11.759 -2.502 7.056) 13.940 7.783 ( -0.374 -3.793 1.764) 4.200 7.977 ( -3.117 3.008 1.306) 4.524 8.218 ( 1.291 3.697 11.259) 11.920 8.496 ( -8.455 5.250 19.702) 22.073 9.153 ( 10.705 -3.643 -12.712) 17.014 9.500 ( -4.310 -2.477 -14.731) 15.547 9.829 ( 0.715 -3.642 3.034) 4.794 10.088 ( -3.504 -5.611 2.191) 6.969 10.227 ( -1.473 -5.446 -3.891) 6.854 10.631 ( 2.800 4.585 5.538) 7.716 10.877 ( -3.482 -3.032 -3.425) 5.748 10.960 ( 1.485 -3.394 2.125) 4.271 11.626 ( 0.461 8.430 -3.397) 9.100 11.756 ( -1.758 13.046 1.707) 13.275 12.840 ( -1.774 0.052 1.768) 2.505 12.912 ( -5.630 1.901 1.545) 6.140 14.126 ( 4.639 -1.832 -1.145) 5.117 14.344 ( 0.194 0.068 4.857) 4.861 14.635 ( 3.226 3.348 4.727) 6.630 14.889 ( -8.373 -0.506 3.142) 8.958 15.314 ( 1.301 -0.910 -0.387) 1.634 15.472 ( -5.262 -7.704 -2.866) 9.760 16.137 ( 0.792 -0.321 -2.754) 2.884 16.234 ( -0.277 2.180 -1.229) 2.518 16.932 ( 4.102 1.488 4.189) 6.049 17.009 ( -0.483 0.701 1.391) 1.631 17.436 ( 8.155 -0.903 -4.772) 9.492 17.787 ( -7.461 -8.562 -8.899) 14.428 18.053 ( 4.560 -2.905 -0.024) 5.407 18.449 ( -0.331 8.445 9.965) 13.067 19.385 ( 4.110 0.689 -2.556) 4.888 19.494 ( 0.847 -0.988 0.193) 1.315 19.703 ( 0.445 -20.347 -4.471) 20.837 19.920 ( -0.454 -12.430 0.881) 12.469 20.007 ( 7.205 -3.091 0.453) 7.853 20.288 ( -5.835 0.672 1.022) 5.962 20.832 ( 7.320 10.897 -4.064) 13.742 21.243 ( -2.907 11.240 -9.642) 15.092 21.904 ( 0.379 -2.788 10.942) 11.298 22.211 ( -11.795 -1.981 0.985) 12.001 ======================= Grid point 137 (48/144) ======================= q-point: (-0.50 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( 0.000 6.799 0.884) 6.857 2.479 ( -0.000 8.320 3.148) 8.896 3.108 ( -0.000 3.096 -1.874) 3.619 3.120 ( 0.000 2.075 -1.844) 2.776 4.413 ( -0.000 -9.886 3.366) 10.443 4.468 ( -0.000 -4.848 6.859) 8.399 4.788 ( -0.000 2.028 -4.724) 5.141 5.015 ( 0.000 12.163 7.166) 14.117 5.229 ( 0.000 0.409 2.101) 2.141 5.258 ( -0.000 -0.260 -0.064) 0.268 5.817 ( -0.000 0.351 -0.057) 0.356 5.844 ( 0.000 0.593 1.812) 1.907 6.344 ( 0.000 1.408 1.172) 1.832 6.449 ( -0.000 4.632 6.315) 7.831 6.786 ( 0.000 -8.553 -17.531) 19.506 7.000 ( 0.000 0.720 -12.519) 12.540 7.239 ( 0.000 -3.897 -5.446) 6.697 7.262 ( -0.000 -3.498 -9.158) 9.803 7.455 ( 0.000 -2.051 8.704) 8.942 7.496 ( 0.000 0.068 5.507) 5.507 7.796 ( 0.000 -4.035 1.188) 4.207 7.938 ( 0.000 3.611 1.198) 3.805 8.258 ( 0.000 2.782 12.378) 12.686 8.387 ( 0.000 7.510 21.001) 22.303 9.323 ( 0.000 -6.084 -17.837) 18.846 9.393 ( -0.000 -1.606 -11.422) 11.534 9.841 ( 0.000 -6.533 2.139) 6.874 10.042 ( 0.000 -4.401 2.340) 4.985 10.217 ( 0.000 -3.047 -7.604) 8.192 10.648 ( 0.000 10.509 6.925) 12.586 10.857 ( 0.000 -9.568 -3.776) 10.286 10.972 ( -0.000 -2.730 3.442) 4.394 11.631 ( 0.000 8.443 -4.465) 9.551 11.736 ( -0.000 13.571 3.101) 13.921 12.820 ( 0.000 0.247 1.703) 1.721 12.859 ( 0.000 2.270 2.049) 3.058 14.176 ( -0.000 -3.404 -2.276) 4.095 14.342 ( 0.000 2.855 6.716) 7.298 14.696 ( 0.000 -0.142 2.791) 2.794 14.778 ( 0.000 4.626 6.018) 7.591 15.362 ( 0.000 -4.583 -2.288) 5.123 15.382 ( -0.000 -4.177 -0.732) 4.241 16.148 ( 0.000 -2.131 -5.108) 5.534 16.228 ( 0.000 4.380 -0.841) 4.460 16.981 ( 0.000 -0.259 2.134) 2.150 16.996 ( -0.000 2.401 2.737) 3.641 17.598 ( 0.000 -4.781 -5.185) 7.053 17.630 ( -0.000 -7.188 -7.149) 10.138 18.100 ( 0.000 -1.263 -1.492) 1.955 18.445 ( 0.000 9.289 12.026) 15.196 19.437 ( -0.000 0.016 -3.515) 3.515 19.494 ( 0.000 2.162 0.332) 2.187 19.706 ( 0.000 -21.369 -6.120) 22.228 19.909 ( 0.000 -15.395 2.736) 15.636 20.117 ( -0.000 -3.958 -0.297) 3.969 20.193 ( 0.000 0.740 2.180) 2.302 20.940 ( -0.000 9.202 -9.729) 13.391 21.176 ( 0.000 13.812 -0.246) 13.814 21.986 ( -0.000 -3.435 3.685) 5.038 22.023 ( 0.000 -1.846 4.090) 4.488 ======================= Grid point 143 (49/144) ======================= q-point: ( 0.00 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 0.000 27.925 0.871) 27.939 1.371 ( 0.000 21.188 16.172) 26.655 2.404 ( 0.000 30.187 36.488) 47.356 2.909 ( 0.000 3.266 -11.700) 12.147 2.915 ( 0.000 16.550 -6.549) 17.799 4.204 ( 0.000 -11.045 -5.303) 12.252 4.608 ( 0.000 -0.539 11.055) 11.068 5.192 ( 0.000 2.302 -10.222) 10.478 5.431 ( 0.000 -3.954 -10.099) 10.845 5.652 ( 0.000 0.600 3.761) 3.808 5.841 ( 0.000 7.895 8.485) 11.590 6.105 ( 0.000 -7.206 -14.042) 15.783 6.222 ( 0.000 -11.320 0.419) 11.327 6.500 ( 0.000 15.416 -2.232) 15.576 7.069 ( 0.000 -7.544 3.397) 8.274 7.181 ( 0.000 8.431 -4.232) 9.433 7.343 ( 0.000 -3.274 -7.304) 8.004 7.619 ( 0.000 7.231 -2.590) 7.681 7.694 ( 0.000 -11.962 3.080) 12.352 8.050 ( 0.000 4.965 -3.657) 6.167 8.227 ( 0.000 2.301 8.912) 9.204 8.492 ( 0.000 0.077 4.497) 4.498 8.696 ( 0.000 -3.941 -7.349) 8.339 8.922 ( 0.000 0.044 -5.708) 5.709 9.214 ( 0.000 6.623 -4.125) 7.802 9.258 ( 0.000 1.666 -1.572) 2.290 9.781 ( 0.000 -13.413 22.813) 26.464 9.803 ( 0.000 2.692 4.477) 5.224 10.247 ( 0.000 -12.164 0.043) 12.164 10.301 ( 0.000 -3.068 -0.017) 3.068 10.493 ( 0.000 -5.560 11.642) 12.901 11.289 ( 0.000 -10.298 -1.155) 10.363 11.770 ( 0.000 14.783 -0.766) 14.803 12.094 ( 0.000 20.395 -4.028) 20.789 12.901 ( 0.000 -1.833 4.239) 4.619 13.091 ( 0.000 0.144 8.379) 8.381 13.499 ( 0.000 7.167 -4.712) 8.577 13.986 ( 0.000 1.265 -5.773) 5.910 14.824 ( 0.000 -5.789 1.176) 5.907 15.105 ( 0.000 -26.676 -0.016) 26.676 15.123 ( 0.000 -6.365 11.553) 13.190 15.735 ( 0.000 3.851 -1.903) 4.295 15.994 ( 0.000 -5.952 2.451) 6.437 16.183 ( 0.000 -0.889 7.454) 7.507 16.410 ( 0.000 -2.446 6.420) 6.870 16.627 ( 0.000 -5.054 -0.407) 5.071 17.057 ( 0.000 -3.939 -2.151) 4.488 17.890 ( 0.000 -14.413 -12.284) 18.938 18.080 ( 0.000 1.274 1.636) 2.073 18.310 ( 0.000 9.129 -0.211) 9.131 18.795 ( 0.000 -12.062 4.512) 12.879 19.255 ( 0.000 2.027 -3.678) 4.200 19.405 ( 0.000 6.741 2.884) 7.332 19.666 ( 0.000 -2.528 -1.739) 3.068 20.418 ( 0.000 14.731 3.586) 15.161 20.464 ( 0.000 -2.607 3.316) 4.218 20.754 ( 0.000 1.920 -0.612) 2.015 21.206 ( 0.000 8.317 -11.274) 14.010 22.680 ( 0.000 -5.916 -1.067) 6.011 22.690 ( 0.000 -6.140 -3.019) 6.843 ======================= Grid point 144 (50/144) ======================= q-point: ( 0.10 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 13.002 23.015 3.929) 26.724 1.716 ( 27.158 19.434 12.484) 35.653 2.555 ( 17.343 24.701 30.305) 42.771 2.914 ( 2.325 11.991 -9.743) 15.624 3.069 ( 13.390 7.028 -7.129) 16.718 4.212 ( 0.784 -10.341 -4.533) 11.318 4.567 ( -4.013 -1.748 10.167) 11.069 5.139 ( -5.368 2.835 -7.996) 10.039 5.440 ( 0.586 -2.234 -8.803) 9.101 5.641 ( -1.292 1.467 4.479) 4.887 5.781 ( -6.092 7.013 9.025) 12.952 6.082 ( -1.078 -6.499 -10.284) 12.213 6.259 ( 3.966 -10.755 -0.993) 11.506 6.341 ( -12.808 16.131 -0.109) 20.598 7.046 ( -0.702 -4.368 0.496) 4.451 7.229 ( 2.948 -1.915 -5.309) 6.367 7.413 ( 0.894 4.682 -17.470) 18.108 7.587 ( -0.347 -5.263 -5.744) 7.798 7.718 ( 0.141 -5.954 9.385) 11.116 7.953 ( -9.562 4.561 -1.702) 10.730 8.148 ( -5.392 5.431 9.233) 11.992 8.405 ( -6.818 1.839 5.040) 8.676 8.615 ( -9.574 0.850 -2.767) 10.002 8.941 ( -0.562 0.721 3.609) 3.723 9.038 ( -11.544 3.155 -3.735) 12.537 9.345 ( 6.862 1.109 -4.822) 8.460 9.609 ( -3.559 -6.143 11.631) 13.626 9.982 ( 4.551 -5.084 9.601) 11.779 10.262 ( 1.310 -8.968 -3.309) 9.648 10.316 ( 1.227 -5.864 0.058) 5.991 10.536 ( 4.393 -3.714 10.121) 11.642 11.257 ( -3.153 -8.498 -1.102) 9.131 11.789 ( 1.740 14.967 -1.066) 15.106 12.100 ( 0.834 19.786 -3.115) 20.047 12.885 ( -0.630 -1.922 3.578) 4.110 13.396 ( 18.503 -5.098 -0.399) 19.197 13.464 ( 1.456 2.844 -2.635) 4.141 13.990 ( 1.152 1.701 -3.973) 4.473 14.803 ( -2.575 -1.262 2.053) 3.527 15.056 ( -3.759 -10.791 8.712) 14.369 15.138 ( 1.707 -24.330 0.506) 24.395 15.667 ( -6.257 3.968 -2.018) 7.679 16.050 ( 4.082 -5.303 1.829) 6.938 16.171 ( -0.855 -0.232 4.746) 4.828 16.475 ( 7.256 -2.459 8.384) 11.357 16.836 ( 18.560 -6.300 -2.299) 19.734 17.042 ( -0.929 -3.350 -1.301) 3.712 17.846 ( -3.653 -13.652 -9.694) 17.137 18.085 ( -4.053 8.434 -2.076) 9.585 18.280 ( 1.012 3.658 4.025) 5.532 18.831 ( 4.453 -12.907 1.625) 13.750 19.290 ( 2.463 -2.123 -3.005) 4.427 19.405 ( 0.161 5.924 2.669) 6.499 19.683 ( 1.774 -2.294 -1.639) 3.331 20.281 ( -8.620 9.019 3.507) 12.959 20.535 ( 1.255 0.523 2.544) 2.884 20.758 ( 1.420 4.883 -0.349) 5.097 21.235 ( 2.799 7.168 -10.787) 13.251 22.470 ( -14.284 -4.081 1.304) 14.912 22.719 ( -2.844 -4.823 -2.120) 5.987 ======================= Grid point 145 (51/144) ======================= q-point: ( 0.20 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( 19.724 17.631 3.681) 26.710 2.159 ( 17.605 19.247 17.475) 31.397 2.964 ( 3.114 10.459 -10.138) 14.895 3.106 ( 35.650 10.785 12.902) 39.417 3.382 ( 17.333 4.531 -4.769) 18.539 4.242 ( 3.173 -7.700 -3.347) 8.976 4.476 ( -4.707 -3.830 8.376) 10.343 5.021 ( -5.322 4.882 -1.977) 7.488 5.421 ( -4.069 -2.241 -5.345) 7.082 5.580 ( -5.442 7.716 9.710) 13.544 5.665 ( -3.509 4.908 6.802) 9.092 6.094 ( -0.556 -0.757 -8.983) 9.032 6.130 ( -4.164 6.172 -0.171) 7.447 6.372 ( 6.472 -6.602 -2.992) 9.717 7.002 ( -4.345 -5.444 -1.740) 7.180 7.172 ( -10.247 -1.864 -12.049) 15.926 7.417 ( 2.666 -0.316 -15.846) 16.072 7.529 ( -12.131 -5.029 -5.603) 14.277 7.656 ( -1.926 -6.295 3.663) 7.534 7.806 ( -4.663 -0.335 3.579) 5.888 8.045 ( -6.427 12.526 11.554) 18.213 8.296 ( -4.470 8.365 3.859) 10.240 8.376 ( -12.402 0.864 0.586) 12.446 8.845 ( -4.633 -0.281 11.372) 12.282 8.917 ( -4.623 -0.146 -2.942) 5.482 9.475 ( 5.098 0.896 -7.031) 8.731 9.628 ( 4.217 -7.758 4.946) 10.121 10.004 ( -1.143 -7.097 7.671) 10.513 10.238 ( -3.065 -5.406 -1.305) 6.350 10.370 ( 3.559 -8.654 -4.589) 10.422 10.648 ( 6.685 -3.380 8.110) 11.040 11.172 ( -5.609 -4.467 -0.850) 7.220 11.830 ( 2.382 16.146 -2.158) 16.463 12.117 ( 0.412 18.596 -0.480) 18.607 12.879 ( -0.003 -0.765 1.643) 1.812 13.301 ( -9.572 2.872 -3.617) 10.628 13.817 ( 14.146 -8.193 -5.667) 17.301 14.071 ( 8.156 0.225 1.760) 8.346 14.730 ( -4.115 3.773 3.966) 6.848 15.001 ( -2.342 -10.035 5.423) 11.645 15.178 ( 2.174 -23.577 -1.538) 23.726 15.528 ( -7.518 3.782 -1.296) 8.515 16.092 ( -0.119 -8.587 -0.677) 8.615 16.183 ( 2.503 3.521 3.824) 5.769 16.659 ( 10.838 -0.854 7.281) 13.085 17.005 ( -0.160 -1.815 -0.587) 1.914 17.248 ( 18.703 -4.005 -4.635) 19.681 17.771 ( -4.059 -13.635 -7.492) 16.079 17.921 ( -8.799 13.167 -0.155) 15.838 18.377 ( 6.419 -1.801 4.613) 8.107 18.959 ( 8.048 -14.572 -1.443) 16.710 19.317 ( 0.341 -8.452 -1.584) 8.606 19.417 ( 1.076 4.294 1.686) 4.737 19.735 ( 3.660 -2.000 -1.211) 4.343 20.117 ( -8.330 7.830 2.545) 11.712 20.492 ( -4.678 -1.542 1.610) 5.182 20.822 ( 4.667 8.037 0.245) 9.297 21.303 ( 4.125 5.402 -10.384) 12.411 22.189 ( -14.078 -2.050 5.556) 15.273 22.600 ( -9.007 -3.590 -1.522) 9.815 ======================= Grid point 146 (52/144) ======================= q-point: ( 0.30 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 19.056 14.162 3.422) 23.987 2.439 ( 12.665 14.651 14.214) 24.022 2.996 ( 0.613 10.350 -8.311) 13.288 3.522 ( 2.486 -1.931 -5.467) 6.308 3.838 ( 28.279 2.944 4.273) 28.751 4.350 ( 2.490 -4.528 6.414) 8.237 4.457 ( 9.564 -3.712 -3.002) 10.690 4.982 ( 1.554 4.571 5.668) 7.446 5.280 ( -7.436 -0.590 1.343) 7.579 5.496 ( -3.444 10.118 6.201) 12.357 5.635 ( -0.304 6.277 5.669) 8.464 6.022 ( -2.282 9.227 -4.645) 10.579 6.214 ( 7.539 -6.034 -2.223) 9.909 6.489 ( 5.173 -6.072 -8.379) 11.569 6.849 ( -10.796 -2.647 -5.602) 12.448 6.997 ( -6.215 -2.365 -8.948) 11.148 7.217 ( -15.871 -4.797 1.037) 16.613 7.470 ( 1.178 -3.407 -14.130) 14.582 7.619 ( -4.851 -9.343 1.733) 10.669 7.710 ( -4.329 8.634 3.694) 10.341 7.891 ( -9.561 5.735 8.384) 13.950 8.135 ( -8.886 3.666 -2.841) 10.023 8.281 ( -0.463 2.737 6.596) 7.157 8.732 ( -7.966 2.399 18.924) 20.672 8.923 ( 5.924 -2.221 -8.476) 10.577 9.509 ( -1.708 -2.535 -9.641) 10.114 9.709 ( 2.889 -6.836 3.457) 8.187 9.958 ( -3.318 -10.036 7.658) 13.053 10.189 ( -1.141 -3.057 -5.977) 6.809 10.445 ( 4.583 -8.857 -3.721) 10.644 10.770 ( 5.587 -4.006 7.970) 10.525 11.047 ( -7.280 -0.937 0.050) 7.340 11.872 ( 1.838 17.368 -3.827) 17.880 12.110 ( -1.039 17.687 3.244) 18.012 12.881 ( -0.062 1.749 -0.910) 1.972 13.110 ( -9.300 2.730 -1.897) 9.876 13.991 ( 6.308 -2.645 -6.518) 9.449 14.249 ( 7.974 -1.496 6.198) 10.210 14.683 ( -0.286 4.393 3.787) 5.807 14.942 ( -3.873 -6.465 3.108) 8.152 15.212 ( 1.242 -18.732 -2.296) 18.913 15.399 ( -5.806 1.389 0.503) 5.991 16.072 ( -1.351 -8.309 -4.817) 9.699 16.242 ( 3.166 2.680 3.494) 5.423 16.851 ( 8.221 1.083 4.562) 9.464 17.017 ( 1.758 0.391 2.573) 3.141 17.458 ( 2.175 6.499 -5.757) 8.951 17.685 ( -4.817 -11.453 -6.172) 13.873 17.890 ( 6.589 1.800 -1.426) 6.977 18.482 ( 4.235 -1.242 7.175) 8.424 19.104 ( 6.291 -16.252 -3.182) 17.715 19.315 ( -0.215 -14.071 -1.603) 14.164 19.448 ( 2.436 3.421 1.455) 4.444 19.823 ( 5.461 -2.117 -0.512) 5.880 19.963 ( -7.775 5.042 1.277) 9.354 20.386 ( -6.055 -1.849 1.831) 6.591 20.926 ( 6.136 9.470 -0.642) 11.302 21.388 ( 4.413 4.984 -10.611) 12.526 21.951 ( -10.315 -2.145 8.751) 13.695 22.393 ( -12.126 -3.346 -1.141) 12.631 ======================= Grid point 147 (53/144) ======================= q-point: ( 0.40 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.468 ( 12.854 12.854 2.934) 18.414 2.642 ( 6.940 8.459 5.951) 12.455 3.019 ( 3.685 9.711 -3.206) 10.870 3.423 ( -10.187 0.109 -4.050) 10.963 4.181 ( 7.777 -4.534 1.100) 9.069 4.355 ( 1.203 -4.441 9.265) 10.344 4.705 ( 8.031 -2.767 -7.956) 11.639 5.053 ( 4.668 -0.389 9.555) 10.641 5.253 ( 4.625 3.132 -0.589) 5.617 5.435 ( -3.039 13.095 4.238) 14.095 5.674 ( 6.278 6.430 6.038) 10.826 5.989 ( -2.342 5.739 -3.870) 7.308 6.367 ( 5.595 -0.724 0.154) 5.644 6.550 ( 1.165 -5.629 -10.608) 12.065 6.716 ( -5.712 -3.761 -2.569) 7.305 6.831 ( -4.071 1.891 -5.764) 7.306 7.060 ( -0.562 -6.844 -1.735) 7.083 7.429 ( -7.439 -6.148 -6.874) 11.849 7.482 ( -6.089 -1.980 3.512) 7.303 7.621 ( -11.195 6.031 4.298) 13.423 7.724 ( -0.897 -1.636 -2.336) 2.990 8.037 ( -2.131 2.819 -2.442) 4.296 8.291 ( 1.260 2.527 8.407) 8.868 8.584 ( -6.707 2.120 20.553) 21.724 9.071 ( 8.014 -3.611 -13.425) 16.047 9.429 ( -5.592 -4.442 -10.786) 12.936 9.725 ( -0.706 -6.849 5.281) 8.678 9.891 ( -3.231 -10.706 8.864) 14.270 10.203 ( 1.975 0.221 -12.906) 13.058 10.544 ( 5.392 -10.843 -3.825) 12.699 10.850 ( 2.110 -1.672 9.783) 10.147 10.906 ( -6.341 -0.753 2.452) 6.840 11.896 ( 0.640 17.571 -4.734) 18.209 12.085 ( -1.223 17.821 5.648) 18.735 12.870 ( -0.995 3.506 -2.552) 4.449 12.976 ( -4.335 4.488 -0.982) 6.316 14.089 ( 3.723 -1.779 -6.180) 7.431 14.351 ( 3.115 0.581 8.309) 8.892 14.702 ( 0.848 2.823 2.577) 3.915 14.880 ( -1.386 -0.776 4.526) 4.797 15.227 ( 0.484 -12.891 -1.703) 13.012 15.300 ( -4.501 -3.111 0.924) 5.549 16.050 ( -0.810 -8.330 -8.446) 11.891 16.294 ( 1.999 2.451 2.775) 4.207 16.953 ( 2.696 0.602 1.266) 3.039 17.066 ( 2.552 4.789 5.251) 7.551 17.458 ( 0.423 3.228 -4.061) 5.205 17.595 ( -4.566 -7.922 -4.479) 10.182 18.044 ( 6.752 0.250 -5.509) 8.717 18.538 ( 1.736 0.092 11.049) 11.185 19.187 ( 2.435 -19.567 -4.659) 20.260 19.317 ( 0.382 -15.073 -2.134) 15.228 19.517 ( 4.736 2.697 0.934) 5.530 19.810 ( -7.631 2.125 1.125) 8.001 19.944 ( 6.417 -2.731 -0.196) 6.976 20.266 ( -6.377 -2.237 2.455) 7.190 21.057 ( 7.160 10.006 -3.874) 12.899 21.441 ( -0.160 7.344 -7.326) 10.374 21.829 ( -0.848 -4.196 8.386) 9.416 22.152 ( -12.471 -3.712 -0.356) 13.017 ======================= Grid point 148 (54/144) ======================= q-point: (-0.50 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.627 ( 0.000 11.525 1.246) 11.592 2.667 ( -0.000 8.847 2.302) 9.141 3.158 ( -0.000 1.321 -2.207) 2.572 3.222 ( 0.000 8.009 0.707) 8.040 4.236 ( -0.000 -6.277 0.015) 6.277 4.375 ( -0.000 -4.211 8.837) 9.789 4.760 ( -0.000 -4.772 -8.334) 9.603 5.108 ( -0.000 -4.868 9.387) 10.574 5.329 ( -0.000 9.252 3.302) 9.823 5.383 ( 0.000 13.605 -0.353) 13.610 5.873 ( -0.000 5.542 0.099) 5.543 5.878 ( 0.000 3.529 0.185) 3.534 6.402 ( 0.000 3.847 -0.092) 3.848 6.523 ( -0.000 2.396 6.162) 6.611 6.609 ( 0.000 -8.122 -15.213) 17.246 6.958 ( 0.000 -4.667 -6.280) 7.824 7.139 ( 0.000 -5.768 -1.827) 6.051 7.183 ( -0.000 -4.184 -3.528) 5.473 7.403 ( 0.000 -2.081 4.728) 5.166 7.517 ( -0.000 2.329 3.269) 4.014 7.734 ( 0.000 -2.036 -7.089) 7.375 8.020 ( 0.000 4.121 -1.766) 4.483 8.311 ( 0.000 1.030 7.524) 7.594 8.508 ( 0.000 3.335 23.666) 23.899 9.171 ( 0.000 -7.962 -18.990) 20.592 9.352 ( 0.000 -1.931 -9.140) 9.341 9.712 ( 0.000 -6.837 6.615) 9.513 9.856 ( 0.000 -10.508 9.736) 14.325 10.229 ( 0.000 1.003 -16.254) 16.285 10.616 ( -0.000 -13.184 -6.913) 14.886 10.805 ( 0.000 4.408 8.501) 9.576 10.890 ( -0.000 -4.303 9.238) 10.191 11.901 ( -0.000 17.431 -4.735) 18.063 12.072 ( -0.000 18.069 6.159) 19.090 12.857 ( 0.000 3.858 -2.722) 4.722 12.938 ( 0.000 5.727 -1.145) 5.840 14.126 ( 0.000 -1.778 -6.129) 6.382 14.381 ( 0.000 1.300 8.635) 8.732 14.700 ( 0.000 0.280 0.892) 0.935 14.883 ( 0.000 4.599 7.919) 9.158 15.237 ( 0.000 -7.051 -1.332) 7.176 15.243 ( -0.000 -9.316 0.095) 9.316 16.043 ( 0.000 -8.535 -9.866) 13.045 16.314 ( 0.000 2.608 2.445) 3.575 16.977 ( 0.000 0.388 0.670) 0.775 17.091 ( -0.000 6.709 4.987) 8.359 17.484 ( 0.000 -5.238 -5.166) 7.356 17.529 ( -0.000 -1.379 -1.700) 2.189 18.111 ( 0.000 0.968 -7.206) 7.271 18.554 ( 0.000 0.839 13.125) 13.151 19.207 ( -0.000 -22.160 -5.535) 22.841 19.323 ( 0.000 -13.908 -2.029) 14.055 19.598 ( -0.000 3.812 -1.572) 4.124 19.701 ( 0.000 -0.419 3.548) 3.573 20.035 ( -0.000 -3.221 -1.819) 3.699 20.176 ( 0.000 -2.247 4.202) 4.765 21.149 ( 0.000 9.696 -8.771) 13.075 21.410 ( 0.000 8.691 1.329) 8.792 21.901 ( -0.000 -4.622 1.675) 4.917 21.960 ( 0.000 -4.254 2.560) 4.965 ======================= Grid point 154 (55/144) ======================= q-point: ( 0.00 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( 0.000 19.571 7.261) 20.874 1.891 ( 0.000 26.083 -11.549) 28.526 2.828 ( 0.000 5.624 6.264) 8.418 3.064 ( 0.000 17.494 13.659) 22.195 3.209 ( 0.000 9.161 -18.711) 20.833 4.033 ( 0.000 -3.506 0.980) 3.640 4.523 ( 0.000 -7.209 15.910) 17.467 5.269 ( 0.000 -10.671 -9.382) 14.208 5.312 ( 0.000 8.761 -8.887) 12.479 5.671 ( 0.000 1.238 6.917) 7.027 5.917 ( 0.000 -11.596 -5.106) 12.670 5.948 ( 0.000 1.654 9.481) 9.624 6.163 ( 0.000 5.975 -2.698) 6.556 6.736 ( 0.000 5.730 -10.521) 11.980 6.962 ( 0.000 -1.881 -0.487) 1.943 7.295 ( 0.000 -1.892 3.029) 3.571 7.310 ( 0.000 4.339 0.113) 4.341 7.539 ( 0.000 -1.020 6.421) 6.501 7.655 ( 0.000 -2.368 -3.061) 3.870 8.099 ( 0.000 -13.039 3.111) 13.405 8.224 ( 0.000 9.632 -6.174) 11.441 8.464 ( 0.000 -1.682 4.461) 4.767 8.747 ( 0.000 7.632 0.555) 7.652 8.914 ( 0.000 -1.124 -6.052) 6.156 9.272 ( 0.000 -0.493 -2.820) 2.862 9.343 ( 0.000 5.219 -3.614) 6.348 9.615 ( 0.000 -3.822 14.832) 15.317 9.808 ( 0.000 -2.188 2.207) 3.108 10.048 ( 0.000 -7.170 -2.388) 7.557 10.213 ( 0.000 -5.386 -1.829) 5.688 10.437 ( 0.000 0.389 9.755) 9.763 11.090 ( 0.000 -8.966 -0.765) 8.999 12.149 ( 0.000 22.077 0.558) 22.084 12.519 ( 0.000 20.762 -4.438) 21.232 12.871 ( 0.000 -0.745 4.929) 4.985 13.070 ( 0.000 -2.273 6.407) 6.798 13.665 ( 0.000 8.597 -7.799) 11.608 13.954 ( 0.000 -5.696 -7.668) 9.552 14.526 ( 0.000 -28.754 3.474) 28.963 14.559 ( 0.000 -15.743 1.836) 15.850 15.157 ( 0.000 6.322 8.429) 10.536 15.792 ( 0.000 -1.304 -2.955) 3.230 15.898 ( 0.000 -0.514 3.095) 3.138 16.165 ( 0.000 -1.717 -1.475) 2.264 16.383 ( 0.000 -0.502 8.106) 8.122 16.504 ( 0.000 -6.473 1.382) 6.619 16.982 ( 0.000 -2.860 -1.691) 3.323 17.563 ( 0.000 -16.109 -8.618) 18.269 18.095 ( 0.000 0.620 2.175) 2.262 18.426 ( 0.000 -3.073 -4.500) 5.449 18.703 ( 0.000 7.054 8.277) 10.875 19.312 ( 0.000 2.839 -2.867) 4.035 19.528 ( 0.000 4.823 0.602) 4.860 19.604 ( 0.000 -3.328 -1.641) 3.711 20.421 ( 0.000 -1.322 2.976) 3.256 20.581 ( 0.000 1.188 1.426) 1.855 20.864 ( 0.000 8.825 2.729) 9.237 21.283 ( 0.000 0.582 -0.952) 1.116 22.566 ( 0.000 -4.766 -3.318) 5.807 22.592 ( 0.000 -3.878 -7.003) 8.005 ======================= Grid point 155 (56/144) ======================= q-point: ( 0.10 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( 9.365 19.986 -0.630) 22.080 2.135 ( 22.886 21.258 -0.355) 31.238 2.898 ( 6.940 4.250 3.621) 8.907 3.138 ( 7.102 16.051 7.511) 19.091 3.282 ( 8.391 9.087 -12.006) 17.237 4.052 ( 1.969 -3.710 0.284) 4.209 4.471 ( -4.874 -6.798 13.931) 16.250 5.216 ( -5.569 -2.272 -6.509) 8.863 5.338 ( 2.582 0.207 -8.162) 8.563 5.673 ( 0.191 1.103 6.026) 6.129 5.890 ( -5.421 3.062 9.172) 11.086 5.967 ( 4.524 -9.464 -6.241) 12.206 6.164 ( 0.450 5.854 0.623) 5.904 6.641 ( -8.175 11.598 -7.454) 16.028 6.961 ( -1.548 -2.594 2.096) 3.676 7.199 ( -3.815 -0.190 -2.090) 4.354 7.362 ( 1.166 -7.777 -3.967) 8.808 7.492 ( -6.744 -3.301 -8.679) 11.477 7.647 ( -1.579 -2.283 9.303) 9.708 8.034 ( -7.334 0.051 0.206) 7.337 8.242 ( 3.169 3.938 -2.427) 5.607 8.411 ( -3.797 0.460 5.246) 6.492 8.659 ( -7.304 4.555 0.847) 8.650 8.961 ( 0.205 1.066 4.981) 5.098 9.144 ( -15.896 5.657 -4.824) 17.549 9.339 ( 6.342 -1.543 -4.128) 7.723 9.524 ( -4.678 -2.229 7.967) 9.503 9.860 ( 0.696 -7.199 4.658) 8.602 10.067 ( 1.332 -7.912 -5.004) 9.456 10.216 ( 0.430 -5.312 -1.737) 5.605 10.505 ( 5.935 1.060 9.811) 11.515 11.088 ( -0.453 -7.867 -0.102) 7.881 12.173 ( 2.352 22.144 -0.029) 22.268 12.508 ( -0.792 19.412 -2.584) 19.599 12.857 ( 0.280 -0.560 2.998) 3.063 13.291 ( 18.404 -4.288 2.812) 19.105 13.558 ( -9.172 3.587 -6.727) 11.927 13.999 ( 3.839 -1.064 -6.268) 7.427 14.559 ( 3.403 -28.139 3.388) 28.546 14.613 ( 4.823 -13.650 1.146) 14.522 15.065 ( -7.781 5.875 7.801) 12.486 15.736 ( -5.587 0.880 -4.592) 7.285 15.922 ( 0.625 -4.498 4.708) 6.541 16.182 ( 2.374 0.156 -0.567) 2.446 16.445 ( 7.369 -0.782 8.110) 10.986 16.696 ( 17.560 -7.261 -0.759) 19.017 16.979 ( -0.019 -2.196 -1.062) 2.439 17.542 ( -1.976 -14.883 -7.961) 16.994 18.148 ( 4.790 0.499 1.170) 4.956 18.438 ( -0.620 3.255 -2.945) 4.433 18.648 ( -3.276 0.359 7.176) 7.897 19.292 ( -2.492 0.802 -2.129) 3.374 19.505 ( -1.305 3.255 -0.445) 3.535 19.640 ( 2.929 -1.444 -0.905) 3.388 20.359 ( -5.705 0.881 3.250) 6.625 20.549 ( -3.316 -0.484 1.055) 3.513 20.900 ( 3.444 8.446 2.576) 9.478 21.301 ( 1.811 0.331 -1.306) 2.257 22.408 ( -11.495 -1.974 -3.825) 12.274 22.612 ( -2.281 -5.410 -4.926) 7.664 ======================= Grid point 156 (57/144) ======================= q-point: ( 0.20 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( 14.648 16.739 -0.933) 22.262 2.554 ( 16.550 19.377 12.193) 28.250 3.051 ( 6.539 -2.212 -13.185) 14.883 3.359 ( 16.456 13.232 3.283) 21.370 3.527 ( 16.371 8.148 0.092) 18.287 4.123 ( 6.551 -3.630 -2.490) 7.893 4.368 ( -5.031 -5.645 10.096) 12.614 5.091 ( -6.562 -2.155 -2.153) 7.235 5.370 ( -0.235 1.988 -5.214) 5.585 5.672 ( -0.965 1.118 6.474) 6.641 5.795 ( -2.362 5.796 9.115) 11.057 6.054 ( 3.773 -3.461 -8.298) 9.751 6.188 ( 2.026 3.740 1.933) 4.673 6.502 ( -4.777 15.467 -2.188) 16.335 6.884 ( -5.423 -4.992 0.481) 7.386 7.103 ( -9.730 -4.264 -7.436) 12.967 7.322 ( -7.279 -8.283 -6.245) 12.673 7.374 ( -1.001 -8.648 -9.485) 12.875 7.561 ( -5.936 -3.151 7.043) 9.735 7.890 ( -6.098 6.392 -4.080) 9.731 8.257 ( -3.097 -2.642 3.838) 5.595 8.345 ( -6.927 11.423 10.163) 16.785 8.503 ( -8.155 6.115 0.049) 10.193 8.827 ( -5.075 -0.965 4.906) 7.124 8.943 ( -8.806 2.503 1.031) 9.212 9.446 ( 1.626 -3.668 -3.793) 5.522 9.498 ( 3.181 -5.224 0.867) 6.177 9.821 ( -3.657 -10.192 6.073) 12.415 10.077 ( 0.150 -8.006 -5.137) 9.513 10.238 ( 1.743 -5.157 -5.904) 8.030 10.624 ( 5.971 1.083 10.593) 12.208 11.064 ( -2.273 -5.730 1.406) 6.322 12.231 ( 3.353 22.245 -1.717) 22.561 12.485 ( -1.718 16.333 1.741) 16.516 12.896 ( 3.501 2.943 -1.209) 4.731 13.347 ( -10.517 1.026 -5.619) 11.968 13.666 ( 17.098 -6.405 -2.856) 18.481 14.095 ( 6.466 1.492 -1.731) 6.857 14.648 ( 5.434 -25.364 3.096) 26.124 14.707 ( 4.294 -9.827 0.399) 10.732 14.919 ( -6.472 4.658 6.231) 10.120 15.607 ( -7.511 3.017 -3.860) 8.968 15.895 ( -2.554 -9.260 1.968) 9.806 16.232 ( 2.040 0.337 3.031) 3.668 16.654 ( 13.017 0.386 5.076) 13.977 16.979 ( 2.487 -0.240 -0.325) 2.519 17.111 ( 21.379 -8.370 -2.555) 23.101 17.501 ( -1.892 -12.190 -6.631) 14.006 18.194 ( -4.275 9.857 -1.639) 10.868 18.376 ( -0.683 4.380 5.922) 7.397 18.676 ( 4.984 -12.263 0.430) 13.244 19.211 ( -5.708 -3.793 -0.779) 6.898 19.497 ( 0.589 3.351 -1.399) 3.679 19.706 ( 3.938 -0.791 -0.055) 4.017 20.225 ( -7.924 3.270 3.011) 9.086 20.460 ( -5.703 -1.820 1.076) 6.082 20.984 ( 5.110 7.616 1.896) 9.366 21.351 ( 3.331 -0.144 -2.290) 4.045 22.166 ( -13.031 -0.012 -1.475) 13.115 22.504 ( -8.480 -5.537 -3.837) 10.830 ======================= Grid point 157 (58/144) ======================= q-point: ( 0.30 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( 15.305 12.215 0.563) 19.590 2.767 ( 7.360 16.999 14.974) 23.819 3.123 ( 1.800 0.071 -13.768) 13.885 3.537 ( 0.559 4.271 2.721) 5.094 3.926 ( 20.350 5.510 -1.171) 21.115 4.260 ( 0.170 -3.518 7.210) 8.024 4.386 ( 13.950 -3.520 -5.500) 15.403 4.985 ( -4.336 -6.141 2.136) 7.815 5.339 ( -1.005 8.200 -1.548) 8.405 5.644 ( -0.524 5.774 10.393) 11.901 5.821 ( 3.286 7.415 5.056) 9.558 6.106 ( 1.551 -1.482 -10.377) 10.597 6.243 ( 4.983 7.826 0.576) 9.296 6.469 ( 0.370 7.501 -0.493) 7.526 6.763 ( -9.384 -4.679 -3.529) 11.063 6.896 ( -5.431 -6.832 -3.040) 9.242 7.141 ( -12.493 -3.302 -1.001) 12.961 7.355 ( -1.827 -9.247 -8.056) 12.399 7.487 ( -1.671 -2.892 -3.429) 4.787 7.801 ( -4.068 3.752 -1.165) 5.656 8.085 ( -17.053 6.097 5.686) 18.982 8.156 ( -6.798 2.515 5.212) 8.927 8.366 ( -4.845 4.860 0.391) 6.874 8.734 ( -11.094 -2.867 6.667) 13.257 8.902 ( 7.900 0.646 1.520) 8.071 9.412 ( -4.576 -6.790 -5.911) 10.099 9.547 ( 0.914 -8.674 1.604) 8.868 9.752 ( -3.419 -9.987 7.853) 13.157 10.115 ( 4.210 -4.077 -8.008) 9.923 10.271 ( 1.565 -6.768 -8.583) 11.042 10.729 ( 4.817 -0.182 12.291) 13.203 10.996 ( -4.680 -3.556 3.692) 6.941 12.283 ( 1.664 21.567 -3.324) 21.885 12.456 ( -0.977 15.724 5.414) 16.659 12.965 ( 2.920 6.410 -4.798) 8.523 13.169 ( -7.267 2.572 -4.070) 8.718 13.921 ( 9.502 -4.014 -7.975) 13.039 14.242 ( 7.962 0.426 4.298) 9.058 14.735 ( 2.468 -12.427 3.280) 13.087 14.776 ( 2.347 -10.930 1.523) 11.282 14.844 ( 0.467 -1.100 2.554) 2.820 15.457 ( -8.031 3.951 -0.649) 8.973 15.849 ( -2.043 -12.442 -4.246) 13.304 16.259 ( 0.973 -2.420 6.174) 6.703 16.881 ( 9.085 2.315 0.572) 9.392 17.048 ( 5.803 2.909 3.404) 7.330 17.435 ( 4.440 -8.019 -7.395) 11.777 17.516 ( 8.355 -5.818 -3.079) 10.637 18.044 ( -6.190 12.905 0.523) 14.322 18.429 ( 3.311 -3.060 5.233) 6.908 18.774 ( 4.281 -14.731 -1.943) 15.463 19.094 ( -5.694 -8.887 0.372) 10.561 19.528 ( 2.608 4.004 -1.400) 4.979 19.793 ( 5.202 -0.952 0.815) 5.351 20.064 ( -8.683 4.416 2.231) 9.994 20.340 ( -6.648 -2.528 1.518) 7.273 21.094 ( 6.474 7.122 0.548) 9.641 21.432 ( 5.169 -0.300 -3.759) 6.398 21.928 ( -11.413 0.209 1.507) 11.514 22.304 ( -12.009 -5.336 -2.891) 13.455 ======================= Grid point 158 (59/144) ======================= q-point: ( 0.40 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.688 ( 10.969 8.286 1.376) 13.815 2.869 ( 3.247 13.708 9.843) 17.185 3.144 ( 0.941 0.989 -8.167) 8.280 3.474 ( -5.075 5.401 3.363) 8.138 4.152 ( 4.142 1.809 -2.929) 5.386 4.276 ( 2.315 -3.062 8.602) 9.420 4.616 ( 5.091 -5.265 -8.086) 10.910 4.934 ( -0.739 -9.928 4.531) 10.938 5.421 ( 9.448 11.693 -0.127) 15.033 5.667 ( 1.889 9.380 6.692) 11.677 5.879 ( 3.747 11.545 3.518) 12.637 6.101 ( -2.064 2.761 -7.651) 8.392 6.394 ( 6.296 4.657 -1.520) 7.977 6.489 ( 2.557 1.779 -3.354) 4.577 6.630 ( -0.097 -3.717 -0.995) 3.849 6.869 ( -12.174 1.231 -1.009) 12.277 6.893 ( 1.273 -8.885 4.257) 9.934 7.289 ( -5.400 -6.551 -3.219) 9.079 7.467 ( -1.979 0.455 -8.164) 8.413 7.673 ( -10.606 -0.114 1.438) 10.703 7.782 ( -10.041 5.146 -2.464) 11.549 8.084 ( -0.366 1.350 -1.042) 1.744 8.300 ( -2.870 -1.506 2.005) 3.811 8.555 ( -6.628 -4.857 16.731) 18.640 9.024 ( 3.081 -1.178 -9.250) 9.820 9.328 ( -2.169 -5.294 -4.411) 7.223 9.545 ( -0.837 -10.160 3.629) 10.821 9.688 ( -2.945 -9.116 10.089) 13.913 10.201 ( 3.175 -0.688 -14.697) 15.052 10.314 ( 3.404 -9.997 -7.930) 13.206 10.796 ( 1.540 -2.245 12.902) 13.186 10.902 ( -4.040 -0.767 8.546) 9.484 12.298 ( 0.333 20.608 -2.513) 20.763 12.443 ( -0.664 17.071 5.934) 18.085 12.989 ( -0.229 7.626 -6.857) 10.258 13.089 ( -1.375 5.894 -3.475) 6.979 14.050 ( 4.322 -2.101 -9.763) 10.881 14.363 ( 4.263 0.511 7.179) 8.364 14.716 ( -2.782 -4.527 2.301) 5.790 14.825 ( 3.466 -6.380 4.368) 8.473 14.938 ( 6.648 -8.985 -0.052) 11.177 15.301 ( -8.122 3.436 2.432) 9.148 15.819 ( -1.047 -13.679 -10.096) 17.033 16.273 ( 0.526 -5.457 8.603) 10.202 16.992 ( 3.379 3.765 -2.772) 5.768 17.178 ( 6.171 6.060 5.432) 10.213 17.443 ( -0.367 -4.023 -5.299) 6.663 17.585 ( -2.293 3.955 -1.830) 4.924 18.057 ( 5.456 2.365 -3.925) 7.125 18.474 ( 1.452 -5.057 7.020) 8.772 18.817 ( 0.058 -15.704 -4.378) 16.303 19.019 ( -1.837 -13.280 2.026) 13.558 19.599 ( 4.768 4.483 -1.059) 6.630 19.896 ( -4.687 3.782 1.400) 6.183 19.907 ( 2.626 0.030 1.398) 2.976 20.208 ( -6.974 -3.179 2.212) 7.977 21.228 ( 7.066 6.906 -2.267) 10.137 21.536 ( 4.069 1.926 -5.028) 6.748 21.754 ( -4.862 -2.541 4.925) 7.373 22.061 ( -12.781 -5.166 -1.885) 13.914 ======================= Grid point 159 (60/144) ======================= q-point: (-0.50 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.810 ( -0.000 5.253 1.339) 5.421 2.890 ( 0.000 13.997 6.091) 15.265 3.161 ( -0.000 -1.270 -4.786) 4.952 3.409 ( -0.000 9.264 4.537) 10.316 4.185 ( 0.000 1.198 -3.079) 3.304 4.298 ( 0.000 -3.114 8.368) 8.929 4.639 ( -0.000 -6.287 -7.411) 9.718 4.932 ( -0.000 -11.294 5.356) 12.500 5.559 ( -0.000 12.359 1.762) 12.484 5.662 ( -0.000 11.973 0.908) 12.007 6.000 ( -0.000 7.469 -4.070) 8.506 6.026 ( 0.000 7.917 0.326) 7.924 6.483 ( -0.000 -2.472 -9.492) 9.809 6.490 ( 0.000 4.716 1.015) 4.824 6.562 ( 0.000 1.346 6.214) 6.358 6.843 ( 0.000 -5.685 1.794) 5.962 7.023 ( 0.000 -4.802 -0.811) 4.870 7.084 ( -0.000 -4.490 2.809) 5.296 7.418 ( -0.000 3.684 -5.340) 6.487 7.571 ( 0.000 1.867 0.148) 1.873 7.695 ( -0.000 -2.232 -11.514) 11.729 8.096 ( 0.000 3.216 -2.114) 3.849 8.262 ( 0.000 -6.182 0.479) 6.201 8.493 ( 0.000 -4.996 23.386) 23.913 9.036 ( 0.000 -4.585 -15.371) 16.040 9.325 ( 0.000 -0.570 -4.146) 4.185 9.532 ( -0.000 -11.187 5.554) 12.490 9.656 ( 0.000 -8.811 11.579) 14.550 10.226 ( 0.000 -1.291 -16.585) 16.635 10.363 ( 0.000 -10.498 -10.262) 14.680 10.789 ( 0.000 -2.582 11.857) 12.135 10.875 ( 0.000 0.383 13.803) 13.808 12.302 ( -0.000 20.912 -2.020) 21.009 12.433 ( 0.000 17.016 6.006) 18.045 12.984 ( 0.000 8.252 -7.185) 10.942 13.080 ( 0.000 7.210 -3.830) 8.164 14.092 ( 0.000 -1.730 -10.122) 10.269 14.404 ( 0.000 0.986 7.703) 7.766 14.683 ( 0.000 -3.442 1.502) 3.756 14.865 ( 0.000 -8.157 6.235) 10.267 15.039 ( 0.000 -8.387 -2.332) 8.705 15.185 ( -0.000 4.885 5.040) 7.019 15.809 ( 0.000 -13.931 -12.454) 18.686 16.278 ( 0.000 -6.790 9.644) 11.794 17.025 ( 0.000 4.622 -3.655) 5.893 17.245 ( 0.000 7.842 6.160) 9.973 17.433 ( 0.000 -0.587 -5.882) 5.911 17.550 ( -0.000 2.998 0.125) 3.001 18.124 ( 0.000 0.698 -7.284) 7.317 18.488 ( 0.000 -6.001 9.413) 11.163 18.808 ( 0.000 -16.446 -6.001) 17.507 19.007 ( -0.000 -14.799 2.799) 15.062 19.680 ( -0.000 4.085 -1.971) 4.536 19.782 ( 0.000 5.826 2.800) 6.464 19.999 ( 0.000 -0.374 -0.549) 0.664 20.107 ( -0.000 -4.436 4.014) 5.983 21.319 ( 0.000 7.218 -6.593) 9.776 21.534 ( 0.000 3.992 2.067) 4.495 21.807 ( -0.000 -4.438 -0.289) 4.448 21.855 ( 0.000 -5.947 0.593) 5.977 ======================= Grid point 165 (61/144) ======================= q-point: ( 0.00 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( 0.000 15.762 -0.085) 15.762 2.338 ( 0.000 15.708 -17.875) 23.796 2.827 ( 0.000 -0.698 -3.991) 4.052 3.197 ( 0.000 -8.907 -23.213) 24.863 3.463 ( 0.000 19.116 23.053) 29.947 4.047 ( 0.000 -2.276 10.427) 10.673 4.426 ( 0.000 3.621 11.911) 12.449 5.015 ( 0.000 -14.356 -8.682) 16.777 5.492 ( 0.000 7.567 -6.969) 10.287 5.706 ( 0.000 -5.484 -4.640) 7.184 5.723 ( 0.000 1.189 9.127) 9.204 5.906 ( 0.000 -4.758 5.798) 7.500 6.356 ( 0.000 11.268 -0.797) 11.296 6.734 ( 0.000 -4.922 1.198) 5.066 7.013 ( 0.000 6.724 -11.760) 13.546 7.273 ( 0.000 1.680 3.845) 4.196 7.329 ( 0.000 -3.550 -7.413) 8.219 7.611 ( 0.000 -0.253 8.528) 8.531 7.620 ( 0.000 4.859 8.795) 10.048 7.756 ( 0.000 -17.923 -0.409) 17.928 8.428 ( 0.000 8.848 -8.259) 12.104 8.469 ( 0.000 2.826 2.193) 3.578 8.870 ( 0.000 1.666 4.798) 5.079 8.872 ( 0.000 -2.756 -4.469) 5.251 9.269 ( 0.000 1.963 -2.012) 2.811 9.402 ( 0.000 0.235 -1.237) 1.259 9.592 ( 0.000 0.921 7.670) 7.725 9.730 ( 0.000 -4.834 1.978) 5.223 9.964 ( 0.000 -1.084 -1.818) 2.116 10.095 ( 0.000 -5.847 -2.237) 6.260 10.517 ( 0.000 7.354 6.243) 9.647 10.911 ( 0.000 -9.120 -0.209) 9.122 12.647 ( 0.000 25.916 -0.534) 25.921 12.846 ( 0.000 3.887 -0.034) 3.887 12.965 ( 0.000 17.473 1.532) 17.540 13.003 ( 0.000 -3.866 5.325) 6.580 13.700 ( 0.000 -19.166 -4.492) 19.685 13.767 ( 0.000 -6.397 -8.905) 10.965 14.044 ( 0.000 -10.237 4.192) 11.063 14.292 ( 0.000 -10.023 -2.366) 10.299 15.316 ( 0.000 8.781 5.492) 10.357 15.674 ( 0.000 -7.797 0.966) 7.856 15.970 ( 0.000 4.760 -1.432) 4.970 16.117 ( 0.000 -2.706 -4.002) 4.831 16.368 ( 0.000 -1.208 8.528) 8.613 16.389 ( 0.000 -4.222 4.372) 6.077 16.965 ( 0.000 1.728 -2.592) 3.115 17.267 ( 0.000 -12.590 -5.992) 13.943 18.117 ( 0.000 1.874 1.466) 2.379 18.295 ( 0.000 -6.873 -1.133) 6.965 18.941 ( 0.000 12.871 5.026) 13.817 19.324 ( 0.000 -3.155 1.808) 3.637 19.558 ( 0.000 -0.240 -3.583) 3.591 19.590 ( 0.000 1.216 -1.117) 1.651 20.419 ( 0.000 1.287 1.712) 2.142 20.544 ( 0.000 -3.426 0.102) 3.428 21.044 ( 0.000 7.899 4.771) 9.228 21.258 ( 0.000 -2.749 3.255) 4.261 22.497 ( 0.000 -1.898 -5.283) 5.613 22.525 ( 0.000 -2.641 -7.635) 8.079 ======================= Grid point 166 (62/144) ======================= q-point: ( 0.10 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( 8.382 15.150 -2.874) 17.551 2.517 ( 17.758 12.759 -11.956) 24.922 2.888 ( 5.209 0.059 -3.772) 6.432 3.290 ( 9.673 -7.360 -17.940) 21.670 3.499 ( 4.419 17.113 18.206) 25.374 4.039 ( -0.550 -3.637 9.067) 9.784 4.402 ( -2.273 5.242 9.259) 10.880 4.993 ( -2.708 -14.522 -7.210) 16.438 5.481 ( -0.029 7.876 -6.360) 10.123 5.707 ( -0.594 0.644 1.535) 1.767 5.781 ( 5.435 -5.401 2.539) 8.072 5.894 ( -0.828 -2.544 7.136) 7.621 6.367 ( 1.295 11.796 -0.520) 11.878 6.745 ( 0.621 -2.626 0.277) 2.713 6.980 ( -3.518 5.647 -9.529) 11.622 7.227 ( -4.357 -0.939 1.338) 4.653 7.258 ( -7.482 0.474 -1.617) 7.669 7.386 ( -12.473 -5.872 -2.756) 14.059 7.610 ( -3.477 -0.888 9.630) 10.277 7.891 ( 5.553 -11.266 3.014) 12.917 8.357 ( -5.545 7.040 -7.529) 11.705 8.479 ( 1.684 4.190 -1.184) 4.669 8.751 ( -6.834 3.984 2.459) 8.284 8.965 ( 0.725 -1.910 8.062) 8.317 9.225 ( -9.430 2.428 -4.727) 10.824 9.315 ( -1.367 -0.298 -1.668) 2.178 9.509 ( -6.229 0.798 5.008) 8.032 9.703 ( -3.582 -7.628 2.917) 8.918 9.970 ( 0.411 -1.501 -3.448) 3.783 10.099 ( 0.812 -5.810 -2.581) 6.409 10.585 ( 5.680 6.606 6.528) 10.886 10.930 ( 1.401 -8.034 0.792) 8.194 12.661 ( 1.426 24.879 -0.493) 24.925 12.830 ( -5.646 8.350 3.882) 10.802 12.886 ( 3.969 5.066 -2.051) 6.755 13.242 ( 15.695 1.665 1.621) 15.866 13.517 ( -11.144 -9.382 -5.703) 15.644 13.896 ( 7.509 -16.119 -4.350) 18.306 14.113 ( 5.745 -6.210 2.055) 8.706 14.360 ( 6.409 -10.440 -1.633) 12.358 15.223 ( -7.690 9.079 4.570) 12.746 15.627 ( -4.492 -9.347 -1.655) 10.501 15.955 ( -2.909 5.486 2.718) 6.778 16.162 ( 2.872 -2.423 -0.986) 3.885 16.433 ( 8.428 -0.228 6.825) 10.847 16.555 ( 15.771 -6.168 1.219) 16.978 16.976 ( 1.242 2.302 -2.173) 3.400 17.269 ( 0.281 -11.599 -5.745) 12.947 18.163 ( 4.440 1.446 1.304) 4.848 18.335 ( 3.941 -7.052 -1.126) 8.156 18.857 ( -8.385 13.260 5.050) 16.481 19.264 ( -6.057 -4.595 1.744) 7.800 19.548 ( 0.027 2.086 -3.282) 3.889 19.628 ( 2.813 -0.488 -1.074) 3.051 20.380 ( -3.893 1.724 1.988) 4.699 20.507 ( -3.754 -3.280 0.264) 4.992 21.066 ( 2.242 7.353 4.173) 8.747 21.273 ( 1.532 -2.813 2.765) 4.231 22.393 ( -8.671 0.554 -5.657) 10.368 22.508 ( -3.626 -4.606 -6.225) 8.551 ======================= Grid point 167 (63/144) ======================= q-point: ( 0.20 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( 10.843 13.521 -3.694) 17.720 2.876 ( 14.622 -0.132 -7.312) 16.349 2.995 ( 6.254 9.784 4.331) 12.394 3.512 ( 10.249 -2.976 -1.836) 10.829 3.684 ( 16.003 10.196 2.599) 19.152 4.067 ( 5.690 -4.933 1.229) 7.631 4.347 ( -3.330 7.009 4.451) 8.946 4.905 ( -6.147 -13.363 -4.959) 15.523 5.511 ( 2.617 8.501 -4.672) 10.047 5.693 ( -0.144 1.004 2.450) 2.652 5.861 ( 1.257 -0.035 9.021) 9.108 5.920 ( 4.940 -4.823 2.023) 7.194 6.411 ( 3.324 12.910 -0.389) 13.337 6.739 ( -1.200 1.465 -0.707) 2.021 6.862 ( -8.988 6.601 -2.517) 11.432 7.032 ( -13.365 -1.387 -1.661) 13.539 7.159 ( -5.205 -6.577 -3.806) 9.211 7.202 ( -4.935 -8.148 -7.066) 11.861 7.528 ( -4.421 1.358 9.597) 10.654 7.904 ( -2.709 -8.120 -1.064) 8.626 8.240 ( -6.815 5.481 -4.057) 9.641 8.530 ( -2.468 -3.501 -5.420) 6.908 8.599 ( -6.341 11.172 8.939) 15.651 8.820 ( -11.861 -0.222 6.355) 13.458 9.022 ( -9.955 5.354 1.972) 11.474 9.323 ( -1.543 -8.096 -2.493) 8.610 9.426 ( -1.454 -1.205 0.763) 2.037 9.614 ( -4.310 -9.446 4.500) 11.317 9.987 ( 2.001 -0.668 -5.307) 5.711 10.130 ( 2.049 -5.460 -5.872) 8.276 10.689 ( 4.613 5.066 8.503) 10.920 10.944 ( -0.306 -6.129 3.323) 6.979 12.693 ( 1.187 21.776 -0.913) 21.828 12.755 ( -1.712 10.892 3.418) 11.543 12.985 ( 5.744 3.484 -3.392) 7.525 13.308 ( -8.464 -5.702 -5.627) 11.653 13.575 ( 16.325 -0.823 -2.255) 16.500 14.055 ( 9.040 -13.732 -1.861) 16.545 14.233 ( 6.624 -5.090 2.725) 8.787 14.493 ( 6.479 -10.297 -0.990) 12.206 15.080 ( -6.506 9.829 2.769) 12.108 15.538 ( -4.151 -10.157 -5.111) 12.104 15.848 ( -7.550 5.414 5.830) 10.968 16.173 ( -1.485 -6.081 4.489) 7.702 16.685 ( 15.899 3.014 2.231) 16.335 16.928 ( 21.139 -7.931 -1.495) 22.627 17.021 ( 3.751 3.266 -0.918) 5.058 17.284 ( 1.653 -9.125 -4.814) 10.449 18.264 ( 5.270 1.097 0.759) 5.436 18.429 ( 5.212 -6.959 -1.019) 8.754 18.644 ( -12.854 12.863 4.916) 18.838 19.105 ( -9.996 -7.275 1.331) 12.435 19.565 ( 1.691 3.573 -2.721) 4.799 19.688 ( 3.544 -1.417 -0.201) 3.822 20.280 ( -6.366 2.634 2.349) 7.278 20.410 ( -6.031 -3.073 0.633) 6.799 21.126 ( 4.010 6.291 2.870) 7.994 21.316 ( 3.034 -2.926 1.561) 4.494 22.193 ( -11.626 2.697 -4.302) 12.686 22.385 ( -8.864 -5.932 -5.041) 11.797 ======================= Grid point 168 (64/144) ======================= q-point: ( 0.30 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.652 ( 10.720 9.970 -2.290) 14.818 3.024 ( 3.972 -7.563 -9.579) 12.835 3.117 ( 4.655 16.590 15.272) 23.025 3.599 ( -0.476 -1.864 9.523) 9.716 4.043 ( 17.483 5.915 -5.419) 19.235 4.276 ( 0.380 5.686 -0.561) 5.726 4.302 ( 12.017 -3.935 -5.831) 13.924 4.780 ( -6.264 -12.681 -3.007) 14.460 5.555 ( 2.731 11.226 -0.712) 11.575 5.743 ( 5.130 3.483 4.067) 7.416 5.901 ( 4.279 1.717 8.327) 9.518 6.013 ( 3.846 -5.859 -1.909) 7.264 6.486 ( 4.065 12.294 -0.018) 12.948 6.682 ( -7.249 0.623 -0.809) 7.321 6.711 ( -3.781 8.649 -1.106) 9.504 6.776 ( -9.591 -2.060 0.670) 9.832 7.047 ( -7.237 -6.743 -3.968) 10.658 7.174 ( 1.040 -8.320 -8.101) 11.659 7.461 ( -2.305 2.443 4.797) 5.856 7.849 ( -2.386 -4.081 -4.394) 6.454 8.066 ( -12.502 2.623 1.509) 12.863 8.299 ( -15.472 3.643 1.228) 15.943 8.451 ( -10.234 3.523 1.609) 10.942 8.626 ( -12.173 -6.382 0.233) 13.747 8.953 ( 4.289 4.211 6.227) 8.654 9.234 ( -5.875 -9.616 -2.363) 11.513 9.416 ( -0.682 -3.243 -0.175) 3.319 9.559 ( -2.038 -8.627 7.695) 11.738 10.061 ( 5.372 -0.600 -8.236) 9.851 10.165 ( 1.375 -4.319 -10.049) 11.024 10.757 ( 2.443 2.734 12.057) 12.602 10.915 ( -2.444 -4.228 6.940) 8.487 12.688 ( -0.488 16.832 0.829) 16.859 12.772 ( 1.790 16.193 1.716) 16.382 13.083 ( 3.970 2.362 -4.968) 6.784 13.184 ( -4.056 -1.931 -4.733) 6.526 13.854 ( 11.916 -0.895 -7.535) 14.127 14.230 ( 8.693 -6.992 0.518) 11.168 14.364 ( 6.696 -9.274 4.241) 12.200 14.590 ( 3.509 -9.641 0.341) 10.266 14.990 ( -2.565 10.116 0.011) 10.436 15.474 ( -2.639 -8.336 -7.362) 11.430 15.689 ( -8.485 3.459 6.411) 11.183 16.126 ( -2.995 -10.137 8.335) 13.461 16.961 ( 10.956 5.508 -2.546) 12.525 17.133 ( 8.632 5.089 2.211) 10.261 17.266 ( 9.038 -8.176 -5.957) 13.565 17.381 ( 11.851 -6.750 -0.644) 13.654 18.323 ( -2.696 9.462 0.115) 9.839 18.407 ( -6.381 5.117 3.769) 9.006 18.528 ( 3.348 -9.297 -0.732) 9.909 18.905 ( -10.046 -10.401 1.017) 14.496 19.613 ( 3.393 4.454 -1.710) 5.854 19.767 ( 4.735 -2.048 0.979) 5.251 20.144 ( -7.584 3.608 2.462) 8.752 20.284 ( -7.051 -3.056 1.073) 7.759 21.220 ( 5.825 5.381 1.302) 8.036 21.394 ( 5.201 -3.035 0.084) 6.022 21.965 ( -11.822 3.367 -2.402) 12.525 22.183 ( -11.818 -6.279 -3.850) 13.925 ======================= Grid point 169 (65/144) ======================= q-point: ( 0.40 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.829 ( 7.153 6.247 -1.311) 9.587 3.081 ( 2.102 -4.826 -6.383) 8.274 3.172 ( 1.442 14.254 13.056) 19.383 3.561 ( -2.288 0.198 11.300) 11.531 4.239 ( 1.458 6.289 -4.135) 7.666 4.267 ( 3.277 3.302 0.659) 4.698 4.502 ( 3.819 -5.877 -7.700) 10.412 4.693 ( -2.226 -13.050 -0.684) 13.256 5.676 ( 9.503 12.431 0.270) 15.650 5.836 ( 3.710 7.383 3.132) 8.837 6.026 ( 6.725 1.455 4.036) 7.977 6.064 ( 2.051 -4.792 -6.137) 8.052 6.490 ( -2.781 1.984 2.499) 4.232 6.596 ( -1.896 3.435 0.903) 4.027 6.703 ( 4.890 12.484 -2.037) 13.561 6.736 ( 4.019 -2.656 5.570) 7.364 6.858 ( -11.279 -2.929 0.544) 11.666 7.218 ( 1.660 -0.950 -7.971) 8.197 7.439 ( 0.016 -1.870 -2.519) 3.137 7.742 ( -15.863 6.807 -3.338) 17.582 7.795 ( -8.518 -5.009 -5.040) 11.093 8.068 ( -5.224 -3.372 -2.224) 6.603 8.271 ( -8.544 -0.138 -0.305) 8.550 8.414 ( -7.988 -7.652 13.126) 17.165 9.014 ( -0.574 0.339 -6.775) 6.807 9.199 ( 3.696 -7.837 2.836) 9.117 9.386 ( -2.516 -3.280 1.145) 4.289 9.521 ( -1.781 -7.145 10.283) 12.647 10.165 ( 4.711 -2.897 -11.836) 13.064 10.181 ( 0.430 -2.654 -13.305) 13.574 10.780 ( -0.075 0.731 14.658) 14.677 10.869 ( -1.684 -2.317 11.991) 12.328 12.696 ( 1.271 18.086 1.157) 18.168 12.784 ( -0.710 16.058 2.041) 16.203 13.123 ( 0.693 3.211 -6.430) 7.221 13.160 ( 0.651 -0.541 -3.928) 4.019 14.022 ( 5.664 0.845 -11.178) 12.559 14.369 ( 5.386 -1.381 3.814) 6.742 14.468 ( 3.482 -12.981 2.359) 13.646 14.636 ( 1.732 -9.348 3.013) 9.973 14.984 ( 1.526 8.059 -3.772) 9.028 15.427 ( -2.659 2.446 -0.971) 3.741 15.548 ( -5.357 -6.120 -0.941) 8.188 16.072 ( -2.296 -13.490 12.089) 18.259 17.103 ( 4.864 6.692 -5.389) 9.873 17.305 ( 7.537 4.947 1.594) 9.155 17.372 ( 4.488 -2.234 -2.759) 5.722 17.583 ( 5.116 -4.067 -0.022) 6.535 18.195 ( -4.128 10.622 -1.163) 11.455 18.394 ( 0.308 -1.403 2.869) 3.209 18.557 ( -0.893 -9.942 -3.062) 10.441 18.759 ( -4.283 -12.756 2.360) 13.661 19.695 ( 4.929 4.913 -0.991) 7.029 19.871 ( 6.156 -2.559 1.787) 6.902 19.997 ( -7.450 4.477 2.732) 9.111 20.143 ( -7.488 -3.107 1.514) 8.247 21.348 ( 7.212 5.078 -0.823) 8.859 21.520 ( 7.885 -2.942 -1.443) 8.539 21.752 ( -9.923 2.357 0.024) 10.199 21.947 ( -12.416 -5.877 -2.701) 14.000 ======================= Grid point 170 (66/144) ======================= q-point: (-0.50 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.903 ( 0.000 4.414 -1.101) 4.549 3.103 ( 0.000 -4.298 -6.067) 7.436 3.183 ( 0.000 14.302 12.421) 18.943 3.537 ( -0.000 1.470 11.772) 11.863 4.263 ( 0.000 5.717 -5.040) 7.622 4.280 ( 0.000 2.612 2.735) 3.782 4.515 ( -0.000 -5.946 -6.431) 8.758 4.677 ( 0.000 -13.117 0.431) 13.124 5.809 ( 0.000 11.706 1.462) 11.797 5.856 ( -0.000 7.639 -1.614) 7.807 6.074 ( -0.000 -1.446 -6.376) 6.538 6.116 ( 0.000 -0.323 0.339) 0.469 6.546 ( 0.000 5.933 1.211) 6.055 6.574 ( -0.000 3.052 4.235) 5.220 6.589 ( 0.000 1.372 4.835) 5.026 6.742 ( 0.000 -4.727 7.045) 8.484 7.009 ( 0.000 6.048 -3.857) 7.173 7.095 ( 0.000 7.581 0.607) 7.606 7.495 ( 0.000 -0.372 -8.560) 8.568 7.536 ( -0.000 -6.822 -4.932) 8.418 7.662 ( 0.000 2.230 -11.082) 11.304 8.074 ( 0.000 -11.416 -6.408) 13.092 8.152 ( -0.000 2.477 2.194) 3.309 8.339 ( 0.000 -8.380 19.178) 20.928 8.995 ( 0.000 0.614 -10.020) 10.039 9.278 ( 0.000 -12.566 1.064) 12.611 9.334 ( -0.000 1.592 3.575) 3.913 9.502 ( 0.000 -6.379 11.668) 13.298 10.183 ( 0.000 -2.327 -13.564) 13.762 10.216 ( 0.000 -4.046 -15.156) 15.686 10.771 ( 0.000 0.793 15.727) 15.747 10.857 ( 0.000 -1.943 14.910) 15.036 12.719 ( -0.000 19.339 0.398) 19.344 12.765 ( 0.000 15.506 3.126) 15.818 13.133 ( 0.000 3.748 -6.533) 7.532 13.167 ( 0.000 -0.301 -4.073) 4.084 14.075 ( 0.000 1.623 -12.277) 12.383 14.424 ( 0.000 1.482 5.783) 5.969 14.495 ( -0.000 -13.764 0.019) 13.764 14.657 ( 0.000 -9.989 4.653) 11.020 15.010 ( 0.000 5.312 -6.838) 8.659 15.388 ( 0.000 13.735 11.357) 17.823 15.500 ( 0.000 -15.644 -12.394) 19.959 16.048 ( 0.000 -14.891 13.983) 20.427 17.152 ( 0.000 7.316 -6.139) 9.551 17.402 ( 0.000 7.548 5.817) 9.530 17.407 ( -0.000 -3.091 -7.135) 7.776 17.604 ( -0.000 0.638 2.428) 2.510 18.174 ( 0.000 4.908 -5.031) 7.029 18.398 ( 0.000 -0.664 5.298) 5.340 18.531 ( 0.000 -11.379 -5.499) 12.638 18.728 ( -0.000 -12.881 3.616) 13.379 19.769 ( -0.000 4.873 -1.966) 5.255 19.897 ( 0.000 5.017 4.102) 6.480 20.000 ( 0.001 -0.126 1.964) 1.968 20.001 ( -0.001 -5.776 1.769) 6.041 21.454 ( 0.000 6.339 -4.569) 7.814 21.595 ( 0.000 2.514 1.573) 2.966 21.723 ( -0.001 -3.863 -0.737) 3.933 21.724 ( 0.001 -6.750 -1.272) 6.868 ======================= Grid point 176 (67/144) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.408 ( 0.000 -7.708 -8.767) 11.674 2.408 ( 0.000 7.708 -8.767) 11.674 2.955 ( 0.000 -12.421 -15.249) 19.668 2.955 ( 0.000 12.421 -15.249) 19.668 3.825 ( 0.000 -15.994 20.712) 26.169 3.825 ( 0.000 15.994 20.712) 26.169 4.688 ( 0.000 -16.960 -2.424) 17.133 4.688 ( 0.000 16.960 -2.424) 17.133 5.601 ( 0.000 -3.892 -4.830) 6.203 5.601 ( 0.000 3.892 -4.830) 6.203 5.804 ( 0.000 -4.655 6.113) 7.684 5.804 ( 0.000 4.655 6.113) 7.684 6.577 ( 0.000 -9.778 1.063) 9.835 6.577 ( 0.000 9.778 1.063) 9.835 7.187 ( 0.000 -8.956 -9.918) 13.364 7.187 ( 0.000 8.956 -9.918) 13.364 7.417 ( 0.000 -12.584 1.339) 12.655 7.417 ( 0.000 12.584 1.339) 12.655 7.652 ( 0.000 -1.336 9.923) 10.012 7.652 ( 0.000 1.336 9.923) 10.012 8.531 ( 0.000 -0.164 -5.638) 5.640 8.531 ( 0.000 0.164 -5.638) 5.640 8.839 ( 0.000 -1.039 1.836) 2.110 8.839 ( 0.000 1.039 1.836) 2.110 9.353 ( 0.000 -4.510 -0.171) 4.513 9.353 ( 0.000 4.510 -0.171) 4.513 9.639 ( 0.000 -3.598 3.866) 5.281 9.639 ( 0.000 3.598 3.866) 5.281 9.994 ( 0.000 -3.615 -1.707) 3.998 9.994 ( 0.000 3.615 -1.707) 3.998 10.709 ( 0.000 -10.456 2.040) 10.654 10.709 ( 0.000 10.456 2.040) 10.654 12.904 ( 0.000 -3.149 2.986) 4.340 12.904 ( 0.000 3.149 2.986) 4.340 13.185 ( 0.000 -20.296 -2.627) 20.465 13.185 ( 0.000 20.296 -2.627) 20.465 13.413 ( 0.000 -15.784 1.453) 15.851 13.413 ( 0.000 15.784 1.453) 15.851 14.115 ( 0.000 -7.937 -5.079) 9.423 14.115 ( 0.000 7.937 -5.079) 9.423 15.501 ( 0.000 -9.042 3.068) 9.549 15.501 ( 0.000 9.042 3.068) 9.549 16.056 ( 0.000 -3.495 -3.741) 5.119 16.056 ( 0.000 3.495 -3.741) 5.119 16.347 ( 0.000 -0.060 7.454) 7.454 16.347 ( 0.000 0.060 7.454) 7.454 17.060 ( 0.000 -7.523 -4.090) 8.563 17.060 ( 0.000 7.523 -4.090) 8.563 18.179 ( 0.000 -4.334 0.406) 4.353 18.179 ( 0.000 4.334 0.406) 4.353 19.180 ( 0.000 -10.048 3.955) 10.799 19.180 ( 0.000 10.048 3.955) 10.799 19.583 ( 0.000 -1.545 -2.906) 3.291 19.583 ( 0.000 1.545 -2.906) 3.291 20.470 ( 0.000 -3.430 0.460) 3.461 20.470 ( 0.000 3.430 0.460) 3.461 21.177 ( 0.000 -5.211 4.786) 7.075 21.177 ( 0.000 5.211 4.786) 7.075 22.488 ( 0.000 -0.864 -6.774) 6.829 22.488 ( 0.000 0.864 -6.774) 6.829 ======================= Grid point 178 (68/144) ======================= q-point: ( 0.10 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( 9.186 -9.599 -7.976) 15.496 2.512 ( 9.186 9.599 -7.976) 15.496 3.059 ( 10.840 -13.272 -11.812) 20.813 3.059 ( 10.840 13.272 -11.812) 20.813 3.826 ( 0.666 -14.525 17.226) 22.543 3.826 ( 0.666 14.525 17.226) 22.543 4.668 ( -2.127 -16.591 -2.857) 16.969 4.668 ( -2.127 16.591 -2.857) 16.969 5.614 ( 1.320 -5.753 -4.732) 7.565 5.614 ( 1.320 5.753 -4.732) 7.565 5.820 ( 1.716 -4.169 7.175) 8.474 5.820 ( 1.716 4.169 7.175) 8.474 6.598 ( 1.954 -10.143 0.822) 10.362 6.598 ( 1.954 10.143 0.822) 10.362 7.136 ( -5.078 -7.800 -7.775) 12.128 7.136 ( -5.078 7.800 -7.775) 12.128 7.298 ( -10.294 -4.023 0.052) 11.052 7.298 ( -10.294 4.023 0.052) 11.052 7.678 ( 0.945 -8.092 8.993) 12.135 7.678 ( 0.945 8.092 8.993) 12.135 8.485 ( -3.752 -4.117 -8.288) 9.986 8.485 ( -3.752 4.117 -8.288) 9.986 8.861 ( 0.147 -6.854 6.510) 9.454 8.861 ( 0.147 6.854 6.510) 9.454 9.285 ( -6.270 -3.002 -1.311) 7.074 9.285 ( -6.270 3.002 -1.311) 7.074 9.569 ( -6.178 -5.084 3.362) 8.678 9.569 ( -6.178 5.084 3.362) 8.678 9.997 ( 0.688 -3.708 -2.629) 4.597 9.997 ( 0.688 3.708 -2.629) 4.597 10.753 ( 3.642 -9.090 2.872) 10.205 10.753 ( 3.642 9.090 2.872) 10.205 12.912 ( 0.846 -3.050 2.049) 3.771 12.912 ( 0.846 3.050 2.049) 3.771 13.154 ( -3.084 -20.938 -2.421) 21.301 13.154 ( -3.084 20.938 -2.421) 21.301 13.492 ( 8.412 -17.292 0.543) 19.237 13.492 ( 8.412 17.292 0.543) 19.237 14.183 ( 6.097 -7.236 -3.966) 10.259 14.183 ( 6.097 7.236 -3.966) 10.259 15.422 ( -6.477 -10.215 1.613) 12.203 15.422 ( -6.477 10.215 1.613) 12.203 16.077 ( -0.611 -5.664 0.808) 5.754 16.077 ( -0.611 5.664 0.808) 5.754 16.458 ( 12.436 -3.056 3.816) 13.362 16.458 ( 12.436 3.056 3.816) 13.362 17.075 ( 1.594 -7.289 -3.808) 8.377 17.075 ( 1.594 7.289 -3.808) 8.377 18.219 ( 3.877 -4.177 0.425) 5.715 18.219 ( 3.877 4.177 0.425) 5.715 19.105 ( -7.542 -10.494 3.700) 13.443 19.105 ( -7.542 10.494 3.700) 13.443 19.599 ( 1.531 -2.336 -2.580) 3.802 19.599 ( 1.531 2.336 -2.580) 3.802 20.434 ( -3.554 -3.418 0.710) 4.982 20.434 ( -3.554 3.418 0.710) 4.982 21.193 ( 1.607 -5.063 4.217) 6.782 21.193 ( 1.607 5.063 4.217) 6.782 22.429 ( -5.933 -2.955 -6.316) 9.156 22.429 ( -5.933 2.955 -6.316) 9.156 ======================= Grid point 180 (69/144) ======================= q-point: ( 0.20 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.694 ( 8.875 -11.450 -7.101) 16.133 2.694 ( 8.875 11.450 -7.101) 16.133 3.310 ( 11.778 -14.475 2.674) 18.852 3.310 ( 11.778 14.475 2.674) 18.852 3.902 ( 9.314 -10.114 3.556) 14.202 3.902 ( 9.314 10.114 3.556) 14.202 4.604 ( -4.556 -15.273 -3.766) 16.377 4.604 ( -4.556 15.273 -3.766) 16.377 5.653 ( 2.908 -5.132 -3.738) 6.984 5.653 ( 2.908 5.132 -3.738) 6.984 5.866 ( 2.926 -2.242 8.808) 9.548 5.866 ( 2.926 2.242 8.808) 9.548 6.638 ( 1.590 -8.723 0.629) 8.889 6.638 ( 1.590 8.723 0.629) 8.889 7.010 ( -7.515 -5.491 -4.274) 10.242 7.010 ( -7.515 5.491 -4.274) 10.242 7.084 ( -10.422 -1.790 -2.650) 10.902 7.084 ( -10.422 1.790 -2.650) 10.902 7.668 ( -1.562 -11.679 6.199) 13.314 7.668 ( -1.562 11.679 6.199) 13.314 8.400 ( -5.841 -8.198 -8.242) 13.010 8.400 ( -5.841 8.198 -8.242) 13.010 8.772 ( -9.808 -5.344 7.900) 13.681 8.772 ( -9.808 5.344 7.900) 13.681 9.156 ( -6.433 -7.662 0.006) 10.004 9.156 ( -6.433 7.662 0.006) 10.004 9.462 ( -3.770 -4.922 2.477) 6.676 9.462 ( -3.770 4.922 2.477) 6.676 10.028 ( 2.555 -4.058 -5.376) 7.204 10.028 ( 2.555 4.058 -5.376) 7.204 10.813 ( 2.076 -6.588 5.604) 8.895 10.813 ( 2.076 6.588 5.604) 8.895 12.937 ( 1.797 -7.325 0.615) 7.567 12.937 ( 1.797 7.325 0.615) 7.567 13.094 ( -2.563 -15.392 -2.554) 15.812 13.094 ( -2.563 15.392 -2.554) 15.812 13.711 ( 13.270 -13.884 -1.047) 19.235 13.711 ( 13.270 13.884 -1.047) 19.235 14.309 ( 6.376 -7.408 -1.887) 9.955 14.309 ( 6.376 7.408 -1.887) 9.955 15.303 ( -5.361 -11.765 -0.744) 12.950 15.303 ( -5.361 11.765 -0.744) 12.950 16.010 ( -5.605 -9.009 5.156) 11.797 16.010 ( -5.605 9.009 5.156) 11.797 16.780 ( 18.952 -6.159 0.116) 19.928 16.780 ( 18.952 6.159 0.116) 19.928 17.125 ( 3.854 -6.560 -2.809) 8.110 17.125 ( 3.854 6.560 -2.809) 8.110 18.311 ( 5.119 -3.951 0.471) 6.483 18.311 ( 5.119 3.951 0.471) 6.483 18.909 ( -12.300 -11.774 2.938) 17.279 18.909 ( -12.300 11.774 2.938) 17.279 19.639 ( 2.680 -3.320 -1.689) 4.589 19.639 ( 2.680 3.320 -1.689) 4.589 20.342 ( -5.880 -3.410 1.207) 6.904 20.342 ( -5.880 3.410 1.207) 6.904 21.238 ( 3.192 -4.681 2.889) 6.360 21.238 ( 3.192 4.681 2.889) 6.360 22.272 ( -10.074 -4.916 -5.170) 12.344 22.272 ( -10.074 4.916 -5.170) 12.344 ======================= Grid point 182 (70/144) ======================= q-point: ( 0.30 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.846 ( 7.035 -9.266 -5.829) 13.012 2.846 ( 7.035 9.266 -5.829) 13.012 3.431 ( 1.942 -13.137 15.207) 20.189 3.431 ( 1.942 13.137 15.207) 20.189 4.176 ( 15.667 -6.741 -7.710) 18.717 4.176 ( 15.667 6.741 -7.710) 18.717 4.505 ( -5.271 -13.502 -4.169) 15.082 4.505 ( -5.271 13.502 -4.169) 15.082 5.738 ( 6.404 -5.318 -1.685) 8.493 5.738 ( 6.404 5.318 -1.685) 8.493 5.926 ( 3.193 -2.027 7.497) 8.397 5.926 ( 3.193 2.027 7.497) 8.397 6.616 ( -4.253 -3.404 2.129) 5.849 6.616 ( -4.253 3.404 2.129) 5.849 6.882 ( -5.544 -6.297 -2.538) 8.765 6.882 ( -5.544 6.297 -2.538) 8.765 6.961 ( -0.967 -11.147 -4.486) 12.055 6.961 ( -0.967 11.147 -4.486) 12.055 7.636 ( -1.580 -12.698 2.794) 13.097 7.636 ( -1.580 12.698 2.794) 13.097 8.221 ( -13.397 -8.906 -6.013) 17.174 8.221 ( -13.397 8.906 -6.013) 17.174 8.527 ( -13.883 -3.776 4.878) 15.192 8.527 ( -13.883 3.776 4.878) 15.192 9.066 ( -2.306 -6.764 0.364) 7.155 9.066 ( -2.306 6.764 0.364) 7.155 9.423 ( -1.041 -3.957 4.579) 6.141 9.423 ( -1.041 3.957 4.579) 6.141 10.088 ( 3.378 -2.928 -9.290) 10.310 10.088 ( 3.378 2.928 -9.290) 10.310 10.829 ( -0.190 -4.106 9.843) 10.667 10.829 ( -0.190 4.106 9.843) 10.667 12.978 ( 2.299 -11.276 -0.331) 11.512 12.978 ( 2.299 11.276 -0.331) 11.512 13.064 ( -0.693 -10.377 -2.332) 10.658 13.064 ( -0.693 10.377 -2.332) 10.658 13.962 ( 12.100 -11.526 -3.476) 17.069 13.962 ( 12.100 11.526 -3.476) 17.069 14.412 ( 4.234 -7.112 0.484) 8.291 14.412 ( 4.234 7.112 0.484) 8.291 15.226 ( -2.526 -12.775 -3.795) 13.565 15.226 ( -2.526 12.775 -3.795) 13.565 15.886 ( -6.863 -12.284 8.208) 16.290 15.886 ( -6.863 12.284 8.208) 16.290 17.097 ( 11.530 -7.571 -4.568) 14.531 17.097 ( 11.530 7.571 -4.568) 14.531 17.252 ( 10.709 -5.935 1.146) 12.297 17.252 ( 10.709 5.935 1.146) 12.297 18.394 ( 3.055 -3.948 0.509) 5.018 18.394 ( 3.055 3.948 0.509) 5.018 18.661 ( -12.484 -13.400 1.625) 18.386 18.661 ( -12.484 13.400 1.625) 18.386 19.703 ( 4.074 -4.052 -0.458) 5.764 19.703 ( 4.074 4.052 -0.458) 5.764 20.216 ( -7.032 -3.485 1.697) 8.030 20.216 ( -7.032 3.485 1.697) 8.030 21.318 ( 5.255 -4.273 1.329) 6.902 21.318 ( 5.255 4.273 1.329) 6.902 22.059 ( -11.817 -5.626 -3.768) 13.620 22.059 ( -11.817 5.626 -3.768) 13.620 ======================= Grid point 184 (71/144) ======================= q-point: ( 0.40 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.958 ( 4.327 -6.418 -4.696) 9.053 2.958 ( 4.327 6.418 -4.696) 9.053 3.442 ( -0.013 -10.871 16.259) 19.559 3.442 ( -0.013 10.871 16.259) 19.559 4.376 ( 3.806 -6.424 -7.154) 10.341 4.376 ( 3.806 6.424 -7.154) 10.341 4.430 ( -1.539 -11.858 -2.754) 12.271 4.430 ( -1.539 11.858 -2.754) 12.271 5.896 ( 8.663 -7.845 -1.810) 11.827 5.896 ( 8.663 7.845 -1.810) 11.827 5.986 ( 2.885 -4.039 2.573) 5.591 5.986 ( 2.885 4.039 2.573) 5.591 6.548 ( -0.630 -4.478 5.303) 6.969 6.548 ( -0.630 4.478 5.303) 6.969 6.765 ( -6.740 -4.989 1.852) 8.588 6.765 ( -6.740 4.989 1.852) 8.588 7.051 ( 9.310 -15.311 -6.649) 19.113 7.051 ( 9.310 15.311 -6.649) 19.113 7.574 ( -7.540 -12.869 -0.777) 14.936 7.574 ( -7.540 12.869 -0.777) 14.936 7.932 ( -12.698 -9.398 -8.525) 17.951 7.932 ( -12.698 9.398 -8.525) 17.951 8.302 ( -8.828 -3.112 7.885) 12.239 8.302 ( -8.828 3.112 7.885) 12.239 9.059 ( 0.769 -4.647 -2.909) 5.536 9.059 ( 0.769 4.647 -2.909) 5.536 9.404 ( -0.941 -3.990 7.686) 8.711 9.404 ( -0.941 3.990 7.686) 8.711 10.145 ( 2.252 -0.833 -13.002) 13.222 10.145 ( 2.252 0.833 -13.002) 13.222 10.817 ( -0.771 -2.508 14.110) 14.351 10.817 ( -0.771 2.508 14.110) 14.351 13.020 ( 1.927 -12.594 -0.792) 12.765 13.020 ( 1.927 12.594 -0.792) 12.765 13.058 ( -0.188 -9.527 -1.838) 9.704 13.058 ( -0.188 9.527 -1.838) 9.704 14.149 ( 6.843 -11.436 -6.441) 14.802 14.149 ( 6.843 11.436 -6.441) 14.802 14.473 ( 2.138 -6.092 3.134) 7.177 14.473 ( 2.138 6.092 3.134) 7.177 15.202 ( -0.243 -12.898 -7.616) 14.981 15.202 ( -0.243 12.898 -7.616) 14.981 15.765 ( -5.122 -15.480 11.913) 20.193 15.765 ( -5.122 15.480 11.913) 20.193 17.243 ( 5.378 -6.470 -6.432) 10.590 17.243 ( 5.378 6.470 -6.432) 10.590 17.465 ( 8.508 -6.683 3.289) 11.308 17.465 ( 8.508 6.683 3.289) 11.308 18.385 ( -4.812 -5.905 -2.152) 7.916 18.385 ( -4.812 5.905 -2.152) 7.916 18.502 ( -2.265 -10.953 2.454) 11.450 18.502 ( -2.265 10.953 2.454) 11.450 19.795 ( 5.399 -4.678 0.336) 7.152 19.795 ( 5.399 4.678 0.336) 7.152 20.078 ( -7.162 -3.491 2.299) 8.292 20.078 ( -7.162 3.491 2.299) 8.292 21.442 ( 7.690 -4.321 -0.268) 8.825 21.442 ( 7.690 4.321 -0.268) 8.825 21.832 ( -11.521 -5.107 -2.314) 12.812 21.832 ( -11.521 5.107 -2.314) 12.812 ======================= Grid point 186 (72/144) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.001 ( 0.000 -5.211 -4.334) 6.778 3.001 ( 0.000 5.211 -4.334) 6.778 3.441 ( 0.000 -9.942 15.936) 18.783 3.441 ( 0.000 9.942 15.936) 18.783 4.390 ( 0.000 -6.344 -5.940) 8.691 4.390 ( 0.000 6.344 -5.940) 8.691 4.424 ( 0.000 -10.794 -1.761) 10.937 4.424 ( 0.000 10.794 -1.761) 10.937 5.991 ( 0.000 -5.692 -4.485) 7.246 5.991 ( 0.000 5.692 -4.485) 7.246 6.018 ( 0.000 -8.332 1.282) 8.430 6.018 ( 0.000 8.332 1.282) 8.430 6.603 ( 0.000 -0.710 5.089) 5.138 6.603 ( 0.000 0.710 5.089) 5.138 6.644 ( 0.000 -4.372 6.782) 8.069 6.644 ( 0.000 4.372 6.782) 8.069 7.279 ( 0.000 -16.594 -6.821) 17.942 7.279 ( 0.000 16.594 -6.821) 17.942 7.333 ( -0.000 -12.541 -4.223) 13.233 7.333 ( -0.000 12.541 -4.223) 13.233 7.832 ( 0.000 -11.541 -10.108) 15.342 7.832 ( 0.000 11.541 -10.108) 15.342 8.211 ( 0.000 -3.969 10.633) 11.349 8.211 ( 0.000 3.969 10.633) 11.349 9.070 ( 0.000 -7.050 -4.703) 8.475 9.070 ( 0.000 7.050 -4.703) 8.475 9.394 ( 0.000 -4.188 9.276) 10.177 9.394 ( 0.000 4.188 9.276) 10.177 10.167 ( 0.000 -0.957 -14.644) 14.675 10.167 ( 0.000 0.957 -14.644) 14.675 10.808 ( 0.000 -2.463 16.019) 16.207 10.808 ( 0.000 2.463 16.019) 16.207 13.045 ( -0.000 -10.995 -0.962) 11.037 13.045 ( 0.000 10.995 -0.962) 11.037 13.051 ( 0.000 -11.698 -1.554) 11.801 13.051 ( 0.000 11.698 -1.554) 11.801 14.215 ( 0.000 -11.820 -8.024) 14.287 14.215 ( 0.000 11.820 -8.024) 14.287 14.494 ( 0.000 -5.750 4.566) 7.343 14.494 ( 0.000 5.750 4.566) 7.343 15.203 ( 0.000 -12.773 -9.937) 16.183 15.203 ( 0.000 12.773 -9.937) 16.183 15.712 ( 0.000 -17.160 14.201) 22.274 15.712 ( 0.000 17.160 14.201) 22.274 17.301 ( 0.000 -6.797 -7.076) 9.811 17.301 ( 0.000 6.797 -7.076) 9.811 17.544 ( 0.000 -5.858 4.665) 7.488 17.544 ( 0.000 5.858 4.665) 7.488 18.323 ( 0.000 -9.155 -4.502) 10.202 18.323 ( 0.000 9.155 -4.502) 10.202 18.493 ( 0.000 -9.267 3.479) 9.898 18.493 ( 0.000 9.267 3.479) 9.898 19.880 ( 0.000 -5.889 -0.727) 5.934 19.880 ( -0.000 5.889 -0.727) 5.934 19.976 ( 0.000 -2.530 3.878) 4.630 19.976 ( 0.000 2.530 3.878) 4.630 21.586 ( 0.000 -6.644 -2.903) 7.250 21.586 ( 0.000 6.644 -2.903) 7.250 21.651 ( 0.000 -3.117 0.258) 3.128 21.651 ( 0.000 3.117 0.258) 3.128 ======================= Grid point 242 (73/144) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( 0.000 0.000 34.536) 34.536 1.545 ( 0.000 0.000 34.408) 34.408 2.456 ( 0.000 0.000 -8.871) 8.871 2.510 ( 0.000 0.000 60.057) 60.057 2.525 ( 0.000 0.000 -16.634) 16.634 4.529 ( 0.000 0.000 -41.028) 41.028 4.660 ( 0.000 0.000 10.664) 10.664 4.757 ( 0.000 0.000 15.240) 15.240 5.072 ( 0.000 0.000 -10.274) 10.274 5.623 ( 0.000 0.000 -10.544) 10.544 5.667 ( 0.000 0.000 4.034) 4.034 5.919 ( 0.000 0.000 -17.464) 17.464 6.408 ( 0.000 0.000 1.711) 1.711 6.448 ( 0.000 0.000 20.156) 20.156 6.964 ( 0.000 0.000 -1.968) 1.968 7.011 ( 0.000 0.000 -22.693) 22.693 7.358 ( 0.000 0.000 2.946) 2.946 7.530 ( 0.000 0.000 20.047) 20.047 7.702 ( 0.000 0.000 -18.644) 18.644 8.168 ( 0.000 0.000 -9.804) 9.804 8.278 ( 0.000 0.000 8.196) 8.196 8.381 ( 0.000 0.000 17.102) 17.102 8.763 ( 0.000 0.000 -10.403) 10.403 8.842 ( 0.000 0.000 -6.129) 6.129 9.125 ( 0.000 0.000 2.227) 2.227 9.180 ( 0.000 0.000 -0.686) 0.686 9.844 ( 0.000 0.000 9.578) 9.578 10.157 ( 0.000 0.000 -7.026) 7.026 10.426 ( 0.000 0.000 4.983) 4.983 10.647 ( 0.000 0.000 -4.268) 4.268 11.379 ( 0.000 0.000 3.313) 3.313 11.397 ( 0.000 0.000 -2.559) 2.559 11.456 ( 0.000 0.000 -4.161) 4.161 11.528 ( 0.000 0.000 -3.117) 3.117 13.057 ( 0.000 0.000 6.052) 6.052 13.276 ( 0.000 0.000 -4.388) 4.388 13.333 ( 0.000 0.000 15.029) 15.029 13.809 ( 0.000 0.000 -7.627) 7.627 14.975 ( 0.000 0.000 13.265) 13.265 15.475 ( 0.000 0.000 -9.660) 9.660 15.509 ( 0.000 0.000 5.252) 5.252 15.735 ( 0.000 0.000 -4.146) 4.146 16.198 ( 0.000 0.000 4.180) 4.180 16.374 ( 0.000 0.000 -4.030) 4.030 16.722 ( 0.000 0.000 2.615) 2.615 16.990 ( 0.000 0.000 -8.632) 8.632 17.484 ( 0.000 0.000 12.468) 12.468 17.631 ( 0.000 0.000 4.962) 4.962 17.867 ( 0.000 0.000 -6.223) 6.223 18.065 ( 0.000 0.000 -15.348) 15.348 19.371 ( 0.000 0.000 7.357) 7.357 19.543 ( 0.000 0.000 7.508) 7.508 19.577 ( 0.000 0.000 -2.483) 2.483 19.705 ( 0.000 0.000 -0.873) 0.873 19.706 ( 0.000 0.000 -0.348) 0.348 19.842 ( 0.000 0.000 -6.810) 6.810 20.601 ( 0.000 0.000 3.423) 3.423 20.706 ( 0.000 0.000 -1.652) 1.652 22.876 ( 0.000 0.000 2.840) 2.840 22.999 ( 0.000 0.000 -2.885) 2.885 ======================= Grid point 243 (74/144) ======================= q-point: ( 0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 7.591 0.000 31.304) 32.211 1.709 ( 19.748 0.000 30.527) 36.358 2.486 ( 2.883 0.000 -9.332) 9.767 2.695 ( 16.215 0.000 -16.538) 23.161 2.734 ( 23.423 0.000 50.446) 55.619 4.440 ( -7.367 0.000 -33.096) 33.906 4.706 ( 4.303 0.000 8.136) 9.204 4.748 ( -0.625 0.000 17.285) 17.297 5.100 ( 1.966 0.000 -11.000) 11.174 5.615 ( -0.843 0.000 -9.656) 9.693 5.698 ( 3.106 0.000 3.698) 4.829 5.957 ( 3.315 0.000 -18.227) 18.526 6.281 ( -11.575 0.000 17.065) 20.621 6.485 ( 2.905 0.000 4.361) 5.240 6.823 ( -7.949 0.000 -10.377) 13.071 7.162 ( 5.737 0.000 -19.995) 20.802 7.402 ( 4.212 0.000 3.676) 5.591 7.525 ( -11.455 0.000 -9.034) 14.589 7.539 ( 0.895 0.000 15.044) 15.070 8.159 ( -6.507 0.000 -12.928) 14.473 8.252 ( -2.811 0.000 5.034) 5.766 8.342 ( -3.229 0.000 17.596) 17.890 8.474 ( -20.079 0.000 0.202) 20.080 8.914 ( 2.749 0.000 -6.540) 7.094 9.106 ( -6.105 0.000 -0.494) 6.125 9.120 ( -0.003 0.000 -5.361) 5.361 9.971 ( 11.406 0.000 10.996) 15.843 10.273 ( 8.402 0.000 -2.376) 8.731 10.425 ( -0.183 0.000 3.687) 3.691 10.596 ( -4.772 0.000 -4.913) 6.849 11.066 ( -19.357 0.000 16.437) 25.394 11.366 ( -9.169 0.000 -1.523) 9.295 11.453 ( 2.344 0.000 -3.359) 4.097 11.539 ( 1.203 0.000 -6.758) 6.864 13.041 ( -1.059 0.000 5.912) 6.006 13.258 ( -2.155 0.000 -4.281) 4.793 13.670 ( 24.767 0.000 -1.044) 24.789 13.846 ( 3.865 0.000 -4.484) 5.920 14.929 ( -4.463 0.000 13.462) 14.182 15.433 ( -4.619 0.000 -9.330) 10.411 15.473 ( -3.393 0.000 5.179) 6.192 15.694 ( -3.695 0.000 -4.276) 5.651 16.217 ( 1.584 0.000 3.321) 3.680 16.322 ( -4.266 0.000 -1.422) 4.497 16.806 ( 7.447 0.000 3.194) 8.103 16.985 ( -0.263 0.000 -6.739) 6.744 17.299 ( -13.049 0.000 12.898) 18.348 17.625 ( -0.201 0.000 0.800) 0.824 17.986 ( 8.372 0.000 -3.710) 9.157 18.128 ( 5.487 0.000 -13.432) 14.509 19.408 ( 2.551 0.000 7.940) 8.340 19.466 ( -2.194 0.000 4.078) 4.631 19.626 ( -3.365 0.000 -3.203) 4.646 19.665 ( 3.979 0.000 -5.037) 6.418 19.898 ( 15.305 0.000 -5.386) 16.225 19.918 ( 4.556 0.000 -2.831) 5.364 20.617 ( 1.412 0.000 2.839) 3.171 20.709 ( 0.651 0.000 -1.671) 1.793 22.820 ( -5.694 0.000 2.186) 6.099 22.857 ( -13.034 0.000 2.701) 13.311 ======================= Grid point 244 (75/144) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( 11.653 0.000 24.192) 26.852 2.095 ( 19.167 0.000 26.438) 32.654 2.552 ( 3.454 0.000 -9.786) 10.377 3.047 ( 17.165 0.000 -18.508) 25.242 3.356 ( 38.285 0.000 30.359) 48.861 4.340 ( -0.653 0.000 -17.307) 17.320 4.706 ( -2.239 0.000 9.087) 9.359 4.847 ( 8.832 0.000 15.654) 17.973 5.112 ( -1.396 0.000 -11.006) 11.095 5.599 ( -0.504 0.000 -5.744) 5.766 5.778 ( 5.037 0.000 3.287) 6.015 5.893 ( -14.805 0.000 9.267) 17.466 6.151 ( 4.004 0.000 -8.147) 9.078 6.532 ( 1.468 0.000 1.116) 1.845 6.657 ( -9.560 0.000 -12.736) 15.925 7.060 ( -12.086 0.000 -21.424) 24.598 7.433 ( -2.689 0.000 7.833) 8.282 7.516 ( 7.179 0.000 -0.862) 7.231 7.615 ( 7.314 0.000 0.300) 7.320 7.792 ( -26.327 0.000 -6.562) 27.132 8.187 ( -2.854 0.000 -0.607) 2.918 8.211 ( -9.699 0.000 3.111) 10.186 8.284 ( -2.728 0.000 18.273) 18.476 8.935 ( -0.977 0.000 -3.860) 3.982 8.998 ( -4.367 0.000 1.086) 4.500 9.129 ( 0.946 0.000 -12.423) 12.459 10.196 ( 9.249 0.000 10.900) 14.295 10.268 ( -9.839 0.000 13.032) 16.329 10.424 ( 1.077 0.000 2.044) 2.311 10.578 ( 2.649 0.000 -5.288) 5.914 10.834 ( -3.747 0.000 5.897) 6.987 11.136 ( -13.639 0.000 -3.736) 14.141 11.499 ( 2.227 0.000 -1.646) 2.770 11.565 ( 1.230 0.000 -5.844) 5.972 13.013 ( -1.969 0.000 5.055) 5.425 13.183 ( -5.736 0.000 -3.037) 6.491 13.952 ( 6.849 0.000 0.953) 6.915 14.064 ( 15.239 0.000 -8.007) 17.215 14.829 ( -5.227 0.000 13.175) 14.174 15.296 ( -9.196 0.000 -7.048) 11.586 15.400 ( -3.728 0.000 4.852) 6.119 15.620 ( -3.700 0.000 -5.365) 6.517 16.236 ( 0.008 0.000 1.068) 1.068 16.238 ( -4.315 0.000 1.022) 4.434 16.967 ( 8.451 0.000 8.340) 11.873 16.988 ( 0.574 0.000 -2.870) 2.927 17.104 ( -6.118 0.000 5.748) 8.395 17.637 ( 1.396 0.000 -6.981) 7.119 18.138 ( 7.348 0.000 -0.049) 7.348 18.232 ( 4.631 0.000 -8.382) 9.576 19.395 ( -2.929 0.000 4.731) 5.564 19.447 ( -0.163 0.000 0.370) 0.405 19.697 ( 9.803 0.000 -1.014) 9.855 19.760 ( 5.919 0.000 -2.376) 6.378 19.980 ( 2.033 0.000 0.027) 2.033 20.125 ( 6.799 0.000 -11.573) 13.422 20.645 ( 1.336 0.000 2.098) 2.487 20.746 ( 3.481 0.000 -3.886) 5.217 22.575 ( -15.047 0.000 8.804) 17.433 22.668 ( -9.705 0.000 0.852) 9.742 ======================= Grid point 245 (76/144) ======================= q-point: ( 0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 12.112 0.000 16.169) 20.203 2.426 ( 14.291 0.000 17.007) 22.214 2.611 ( 3.464 0.000 -6.440) 7.312 3.247 ( 2.958 0.000 -19.570) 19.792 4.069 ( 32.804 0.000 15.724) 36.378 4.461 ( 11.577 0.000 -3.622) 12.131 4.668 ( -1.147 0.000 6.458) 6.559 5.039 ( -5.974 0.000 -10.752) 12.301 5.043 ( 11.212 0.000 15.501) 19.131 5.578 ( -11.522 0.000 20.187) 23.244 5.616 ( -0.476 0.000 -2.688) 2.730 5.869 ( 3.484 0.000 1.575) 3.823 6.292 ( 8.753 0.000 -16.569) 18.739 6.494 ( -5.206 0.000 -14.703) 15.597 6.530 ( -1.740 0.000 3.058) 3.518 6.861 ( -7.780 0.000 -13.153) 15.282 7.307 ( -22.756 0.000 -2.717) 22.918 7.350 ( -4.796 0.000 -2.283) 5.312 7.645 ( 4.737 0.000 1.011) 4.843 7.719 ( 1.569 0.000 0.170) 1.578 8.036 ( -7.806 0.000 5.042) 9.293 8.157 ( -1.790 0.000 -0.680) 1.915 8.264 ( 2.572 0.000 14.868) 15.089 8.868 ( -5.795 0.000 2.344) 6.252 8.956 ( 0.157 0.000 0.479) 0.504 9.153 ( 1.336 0.000 -16.860) 16.913 10.054 ( -10.516 0.000 11.278) 15.420 10.224 ( -5.209 0.000 3.060) 6.042 10.499 ( 3.657 0.000 4.410) 5.729 10.558 ( -3.401 0.000 0.343) 3.419 10.882 ( 5.122 0.000 -4.280) 6.675 10.913 ( -7.138 0.000 -4.154) 8.259 11.530 ( 0.939 0.000 -0.080) 0.942 11.578 ( 0.018 0.000 -3.523) 3.524 12.967 ( -2.621 0.000 4.056) 4.829 13.054 ( -6.961 0.000 -0.262) 6.966 14.094 ( 7.524 0.000 3.938) 8.492 14.266 ( 6.470 0.000 -5.421) 8.441 14.753 ( -2.224 0.000 11.563) 11.775 15.109 ( -9.692 0.000 -3.428) 10.280 15.343 ( -1.979 0.000 3.631) 4.135 15.547 ( -4.179 0.000 -6.212) 7.487 16.161 ( -3.428 0.000 1.168) 3.622 16.215 ( -2.021 0.000 -1.303) 2.404 17.004 ( 1.011 0.000 -0.021) 1.012 17.015 ( -0.696 0.000 11.205) 11.226 17.165 ( 9.025 0.000 -2.552) 9.379 17.659 ( 0.226 0.000 -12.690) 12.692 18.261 ( 5.313 0.000 2.902) 6.054 18.298 ( 2.538 0.000 -0.827) 2.670 19.358 ( -0.379 0.000 2.580) 2.608 19.450 ( 0.237 0.000 -1.974) 1.988 19.885 ( 6.823 0.000 -0.273) 6.829 19.908 ( 9.593 0.000 -1.576) 9.722 20.016 ( 2.906 0.000 0.828) 3.022 20.168 ( -1.270 0.000 -8.096) 8.195 20.667 ( 1.290 0.000 2.198) 2.549 20.829 ( 4.284 0.000 -7.993) 9.068 22.310 ( -12.022 0.000 10.107) 15.706 22.463 ( -11.243 0.000 0.003) 11.243 ======================= Grid point 246 (77/144) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( 10.250 0.000 8.772) 13.491 2.526 ( -2.210 0.000 -0.783) 2.345 2.791 ( 13.485 0.000 5.685) 14.635 3.204 ( -6.207 0.000 -12.467) 13.927 4.520 ( 13.461 0.000 8.077) 15.698 4.639 ( 4.311 0.000 1.970) 4.740 4.679 ( 2.656 0.000 1.178) 2.906 4.901 ( -7.723 0.000 -8.330) 11.360 5.249 ( 9.290 0.000 13.979) 16.784 5.431 ( -2.689 0.000 13.867) 14.126 5.689 ( 7.028 0.000 3.528) 7.864 5.896 ( -0.209 0.000 -1.979) 1.990 6.460 ( 7.120 0.000 -9.516) 11.885 6.481 ( -1.204 0.000 -0.911) 1.510 6.485 ( 0.989 0.000 -12.970) 13.008 6.787 ( -0.122 0.000 2.006) 2.009 6.948 ( -11.832 0.000 -10.231) 15.642 7.255 ( -6.007 0.000 -10.725) 12.292 7.665 ( -2.515 0.000 3.346) 4.185 7.672 ( -4.938 0.000 2.987) 5.771 7.959 ( 0.244 0.000 7.545) 7.549 8.092 ( -4.295 0.000 7.370) 8.531 8.384 ( 8.298 0.000 8.817) 12.108 8.726 ( -8.632 0.000 7.854) 11.671 9.005 ( 4.629 0.000 -5.062) 6.860 9.163 ( -0.882 0.000 -17.108) 17.131 9.902 ( -4.413 0.000 3.066) 5.374 10.065 ( -9.883 0.000 -2.533) 10.203 10.495 ( -2.163 0.000 2.282) 3.145 10.498 ( -2.453 0.000 1.282) 2.768 10.895 ( 2.964 0.000 -1.578) 3.357 10.952 ( 1.771 0.000 -4.373) 4.718 11.540 ( 0.331 0.000 0.547) 0.640 11.568 ( -0.911 0.000 -1.438) 1.702 12.921 ( -1.969 0.000 3.527) 4.039 12.943 ( -4.104 0.000 2.259) 4.685 14.224 ( 5.787 0.000 4.138) 7.114 14.332 ( 0.840 0.000 -1.097) 1.381 14.751 ( 1.955 0.000 8.805) 9.020 14.941 ( -7.578 0.000 0.798) 7.620 15.330 ( 0.728 0.000 1.126) 1.341 15.458 ( -4.903 0.000 -5.036) 7.028 16.118 ( -0.909 0.000 -0.520) 1.047 16.168 ( -2.615 0.000 -2.625) 3.705 17.021 ( 0.826 0.000 5.677) 5.737 17.023 ( 0.858 0.000 1.639) 1.850 17.340 ( 9.008 0.000 -3.665) 9.725 17.622 ( -4.285 0.000 -12.750) 13.451 18.338 ( 2.594 0.000 4.838) 5.490 18.340 ( 1.813 0.000 4.513) 4.863 19.378 ( 2.081 0.000 0.584) 2.161 19.448 ( -0.616 0.000 -2.482) 2.558 19.994 ( 1.888 0.000 -0.309) 1.913 20.008 ( 5.499 0.000 -0.693) 5.543 20.116 ( 4.081 0.000 -2.235) 4.653 20.118 ( -2.945 0.000 -3.163) 4.322 20.720 ( 4.709 0.000 1.406) 4.915 20.880 ( 0.353 0.000 -7.974) 7.982 22.137 ( -5.387 0.000 7.986) 9.633 22.257 ( -9.663 0.000 0.670) 9.686 ======================= Grid point 247 (78/144) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( -5.746 0.000 2.581) 6.299 2.431 ( 5.746 0.000 2.581) 6.299 3.034 ( -11.043 0.000 -2.451) 11.312 3.034 ( 11.043 0.000 -2.451) 11.312 4.646 ( -1.964 0.000 4.683) 5.078 4.646 ( 1.964 0.000 4.683) 5.078 4.766 ( -1.573 0.000 -4.020) 4.316 4.766 ( 1.573 0.000 -4.020) 4.316 5.380 ( -3.737 0.000 11.492) 12.085 5.380 ( 3.737 0.000 11.492) 12.085 5.844 ( -5.025 0.000 0.319) 5.035 5.844 ( 5.025 0.000 0.319) 5.035 6.457 ( -0.452 0.000 2.199) 2.245 6.457 ( 0.453 0.000 2.199) 2.245 6.638 ( -7.013 0.000 -9.768) 12.024 6.638 ( 7.013 0.000 -9.768) 12.024 7.065 ( -12.545 0.000 -12.262) 17.543 7.065 ( 12.545 0.000 -12.262) 17.543 7.617 ( -0.210 0.000 4.835) 4.840 7.617 ( 0.210 0.000 4.835) 4.840 8.009 ( -3.992 0.000 8.685) 9.558 8.009 ( 3.992 0.000 8.685) 9.558 8.553 ( -4.416 0.000 9.796) 10.745 8.553 ( 4.416 0.000 9.796) 10.745 9.106 ( -2.035 0.000 -12.279) 12.446 9.106 ( 2.035 0.000 -12.279) 12.446 9.908 ( -4.996 0.000 -3.073) 5.865 9.908 ( 4.996 0.000 -3.073) 5.865 10.472 ( -0.001 0.000 2.147) 2.147 10.472 ( 0.001 0.000 2.147) 2.147 10.949 ( -0.302 0.000 -2.913) 2.929 10.949 ( 0.302 0.000 -2.913) 2.929 11.550 ( -0.042 0.000 0.025) 0.049 11.550 ( 0.042 0.000 0.025) 0.049 12.902 ( -0.163 0.000 3.323) 3.327 12.902 ( 0.163 0.000 3.323) 3.327 14.309 ( -0.487 0.000 2.301) 2.352 14.309 ( 0.487 0.000 2.301) 2.352 14.820 ( -3.427 0.000 5.161) 6.195 14.820 ( 3.427 0.000 5.161) 6.195 15.372 ( -2.613 0.000 -2.154) 3.386 15.372 ( 2.613 0.000 -2.154) 3.386 16.126 ( -0.388 0.000 -2.312) 2.344 16.126 ( 0.388 0.000 -2.312) 2.344 17.031 ( -0.006 0.000 3.238) 3.238 17.031 ( 0.006 0.000 3.238) 3.238 17.503 ( -7.539 0.000 -8.343) 11.245 17.503 ( 7.539 0.000 -8.343) 11.245 18.361 ( -0.001 0.000 5.692) 5.692 18.361 ( 0.001 0.000 5.692) 5.692 19.422 ( -0.574 0.000 -1.365) 1.481 19.422 ( 0.574 0.000 -1.365) 1.481 20.034 ( -0.151 0.000 -1.836) 1.843 20.034 ( 0.151 0.000 -1.836) 1.843 20.122 ( -0.452 0.000 -0.804) 0.922 20.122 ( 0.452 0.000 -0.804) 0.922 20.829 ( -1.040 0.000 -3.220) 3.384 20.829 ( 1.040 0.000 -3.220) 3.384 22.121 ( -3.490 0.000 3.720) 5.101 22.121 ( 3.490 0.000 3.720) 5.101 ======================= Grid point 253 (79/144) ======================= q-point: ( 0.00 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 0.000 -0.729 34.598) 34.605 1.561 ( 0.000 7.657 30.692) 31.633 2.518 ( 0.000 5.682 -12.086) 13.355 2.554 ( 0.000 2.585 -17.029) 17.224 2.732 ( 0.000 18.608 50.267) 53.600 4.305 ( 0.000 -11.586 -18.233) 21.603 4.780 ( 0.000 2.613 15.494) 15.712 4.877 ( 0.000 9.918 -7.077) 12.183 5.155 ( 0.000 5.886 -11.835) 13.218 5.622 ( 0.000 0.149 -10.442) 10.443 5.737 ( 0.000 7.388 2.602) 7.833 5.886 ( 0.000 -2.807 -14.548) 14.817 6.437 ( 0.000 -0.119 3.602) 3.604 6.481 ( 0.000 2.484 16.073) 16.263 6.877 ( 0.000 -3.147 -2.964) 4.323 7.026 ( 0.000 0.511 -20.691) 20.697 7.307 ( 0.000 -3.225 3.961) 5.108 7.611 ( 0.000 4.936 3.205) 5.885 7.791 ( 0.000 8.438 -4.538) 9.581 8.018 ( 0.000 -9.868 3.585) 10.499 8.399 ( 0.000 1.540 15.331) 15.408 8.413 ( 0.000 8.099 -2.464) 8.466 8.689 ( 0.000 -6.373 -9.460) 11.406 8.833 ( 0.000 -1.250 -5.850) 5.982 9.112 ( 0.000 -0.355 1.412) 1.456 9.193 ( 0.000 0.990 -1.732) 1.995 9.867 ( 0.000 1.713 7.415) 7.610 10.098 ( 0.000 -5.524 -4.662) 7.228 10.392 ( 0.000 -3.233 3.161) 4.522 10.530 ( 0.000 -10.175 -2.970) 10.600 11.138 ( 0.000 -18.449 13.466) 22.841 11.430 ( 0.000 -7.064 -3.395) 7.837 11.505 ( 0.000 8.542 -1.171) 8.622 11.627 ( 0.000 14.495 -5.388) 15.464 13.046 ( 0.000 -0.989 6.632) 6.705 13.296 ( 0.000 1.746 -2.397) 2.966 13.336 ( 0.000 0.250 11.491) 11.494 13.819 ( 0.000 0.695 -8.703) 8.731 14.986 ( 0.000 0.217 11.634) 11.636 15.422 ( 0.000 -8.096 -8.215) 11.534 15.446 ( 0.000 -6.053 5.459) 8.151 15.660 ( 0.000 -3.962 -3.538) 5.311 16.157 ( 0.000 -3.755 3.929) 5.435 16.322 ( 0.000 -4.731 -3.401) 5.827 16.705 ( 0.000 -1.822 2.420) 3.029 16.876 ( 0.000 -12.639 4.465) 13.404 17.128 ( 0.000 -9.452 11.284) 14.720 17.794 ( 0.000 -6.915 -14.724) 16.267 17.972 ( 0.000 12.982 0.729) 13.002 18.130 ( 0.000 5.895 -6.402) 8.703 19.177 ( 0.000 -17.073 3.875) 17.507 19.279 ( 0.000 -12.247 -0.716) 12.268 19.412 ( 0.000 2.003 7.049) 7.328 19.642 ( 0.000 -0.872 -4.214) 4.303 20.112 ( 0.000 22.739 4.504) 23.181 20.418 ( 0.000 28.062 -12.531) 30.732 20.603 ( 0.000 2.256 2.659) 3.487 20.710 ( 0.000 0.408 -1.797) 1.843 22.811 ( 0.000 -6.003 1.580) 6.207 22.876 ( 0.000 -10.517 -0.955) 10.560 ======================= Grid point 254 (80/144) ======================= q-point: ( 0.10 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 9.344 0.572 29.802) 31.238 1.842 ( 22.158 9.024 26.491) 35.695 2.533 ( 2.554 4.136 -12.951) 13.834 2.733 ( 16.104 3.775 -14.867) 22.240 2.889 ( 17.176 13.731 43.784) 48.996 4.287 ( -1.820 -9.582 -18.271) 20.712 4.762 ( -2.128 1.189 14.558) 14.760 4.864 ( -0.301 9.039 -2.467) 9.374 5.181 ( 2.231 6.386 -10.042) 12.108 5.623 ( 0.042 0.963 -9.477) 9.526 5.736 ( 0.390 5.018 3.432) 6.092 5.907 ( 2.054 -4.342 -15.159) 15.902 6.314 ( -11.931 2.943 14.229) 18.801 6.461 ( -0.721 -3.239 5.341) 6.288 6.895 ( -0.876 6.055 -8.278) 10.293 7.093 ( 5.877 -4.303 -14.658) 16.368 7.306 ( -1.465 -6.781 0.592) 6.963 7.452 ( -10.923 -0.633 -8.040) 13.578 7.778 ( 0.425 12.737 7.632) 14.855 8.062 ( 0.401 -6.159 3.991) 7.350 8.287 ( -11.390 -1.406 2.984) 11.858 8.399 ( -4.178 7.245 2.123) 8.629 8.486 ( -12.799 1.085 2.345) 13.057 8.895 ( 2.499 -3.003 -8.241) 9.120 9.031 ( -6.575 -1.344 0.591) 6.737 9.200 ( 1.536 3.307 -4.275) 5.619 9.923 ( 6.575 -4.496 9.254) 12.210 10.227 ( 8.243 -4.481 -0.135) 9.384 10.365 ( -1.118 -5.949 -0.644) 6.088 10.516 ( -2.516 -7.040 -0.360) 7.485 10.960 ( -11.987 -8.534 17.453) 22.828 11.341 ( -8.231 -4.072 -3.665) 9.887 11.519 ( 0.939 6.924 -3.318) 7.736 11.670 ( 3.503 13.599 -4.257) 14.674 13.026 ( -1.473 -1.335 6.318) 6.623 13.277 ( -2.543 1.733 -5.003) 5.874 13.591 ( 19.275 -5.701 2.010) 20.201 13.872 ( 6.193 1.282 -5.066) 8.103 14.942 ( -4.272 0.760 12.137) 12.889 15.396 ( -4.738 -5.848 1.295) 7.637 15.407 ( -1.933 -7.145 -4.949) 8.904 15.604 ( -4.722 -5.305 -2.871) 7.661 16.177 ( 1.799 -3.127 3.125) 4.773 16.284 ( -3.094 -3.593 -0.718) 4.795 16.792 ( 7.167 -1.890 5.659) 9.325 16.935 ( 4.907 -5.822 -2.259) 7.942 17.121 ( -0.073 -8.106 10.016) 12.886 17.798 ( -1.471 0.720 -5.316) 5.562 17.858 ( -5.977 1.691 -8.949) 10.894 18.241 ( 8.492 6.089 -2.350) 10.711 19.129 ( 0.116 -15.837 0.493) 15.845 19.407 ( 4.886 -6.314 2.510) 8.369 19.452 ( 6.037 -8.766 3.638) 11.248 19.661 ( 1.978 -1.035 -4.052) 4.626 20.034 ( -6.000 20.999 2.408) 21.972 20.469 ( 2.557 24.018 -10.030) 26.154 20.607 ( 1.057 -0.843 3.007) 3.297 20.753 ( 4.400 5.598 -3.450) 7.913 22.700 ( -10.423 -9.460 2.908) 14.373 22.817 ( -5.925 -4.834 0.948) 7.706 ======================= Grid point 255 (81/144) ======================= q-point: ( 0.20 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( 14.857 2.931 21.612) 26.389 2.238 ( 17.221 11.507 22.686) 30.718 2.600 ( 3.980 4.487 -11.512) 12.980 3.082 ( 17.055 3.397 -15.778) 23.481 3.394 ( 33.554 3.691 27.344) 43.442 4.269 ( 1.895 -5.855 -12.481) 13.915 4.690 ( -4.895 -1.582 7.197) 8.846 4.912 ( 5.425 5.364 9.688) 12.331 5.214 ( 0.570 8.156 -7.208) 10.899 5.624 ( 0.233 2.464 -5.928) 6.425 5.756 ( 0.508 -0.053 7.115) 7.133 5.902 ( -6.764 -1.265 -2.533) 7.332 6.118 ( -1.948 -1.058 0.861) 2.378 6.442 ( -1.731 -4.230 -0.658) 4.617 6.802 ( -7.921 8.762 -10.049) 15.507 7.073 ( -12.362 0.288 -15.457) 19.794 7.233 ( 4.291 -10.984 -2.481) 12.050 7.440 ( 0.549 -6.828 -4.459) 8.173 7.778 ( 0.160 7.275 1.408) 7.412 7.884 ( -17.369 6.864 2.261) 18.812 8.086 ( -5.596 -1.897 5.096) 7.803 8.273 ( -7.168 1.396 9.096) 11.665 8.342 ( -3.917 5.172 4.586) 7.945 8.872 ( -3.562 -7.873 -6.483) 10.803 8.964 ( -1.100 2.448 -0.980) 2.857 9.239 ( 1.889 6.512 -7.223) 9.907 10.046 ( 2.648 -10.770 12.900) 17.012 10.271 ( -0.201 -4.143 6.845) 8.004 10.358 ( -5.431 -4.664 3.149) 7.821 10.484 ( 3.170 -8.786 -5.852) 11.022 10.843 ( 0.068 0.344 8.871) 8.878 11.148 ( -10.967 0.854 -4.347) 11.828 11.535 ( 0.676 5.725 -4.585) 7.365 11.738 ( 3.290 14.540 -2.027) 15.044 12.989 ( -2.422 -2.049 4.947) 5.877 13.193 ( -6.156 0.797 -3.578) 7.165 13.857 ( 8.858 -6.902 -3.373) 11.725 14.087 ( 14.104 0.750 -1.985) 14.262 14.844 ( -5.241 1.324 12.263) 13.402 15.264 ( -8.680 -4.357 -0.842) 9.749 15.358 ( -2.809 -4.589 -3.068) 6.194 15.527 ( -2.929 -6.979 -2.501) 7.972 16.209 ( 0.731 -2.249 1.030) 2.580 16.217 ( -3.436 -2.000 0.675) 4.033 16.939 ( 7.486 -2.858 12.364) 14.734 16.996 ( 1.485 0.550 -1.604) 2.254 17.145 ( 1.878 2.740 -0.802) 3.417 17.693 ( -4.671 5.424 -6.258) 9.508 17.876 ( 4.046 -14.339 -7.221) 16.556 18.412 ( 8.672 7.340 1.316) 11.437 19.179 ( 3.911 -13.005 -2.387) 13.788 19.468 ( 2.490 -1.742 4.927) 5.789 19.569 ( 4.594 -17.517 -0.740) 18.125 19.722 ( 4.738 -0.992 -3.232) 5.820 19.939 ( -3.287 12.561 0.811) 13.010 20.463 ( -2.600 12.058 -3.986) 12.963 20.651 ( 2.799 3.966 0.545) 4.885 20.864 ( 6.579 10.081 -6.599) 13.728 22.467 ( -12.710 -8.418 6.760) 16.676 22.659 ( -10.146 -2.328 0.784) 10.439 ======================= Grid point 256 (82/144) ======================= q-point: ( 0.30 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( 14.080 6.191 13.690) 20.591 2.497 ( 9.516 6.472 12.110) 16.706 2.686 ( 5.855 7.099 -3.410) 9.814 3.280 ( 2.831 3.111 -16.731) 17.252 4.042 ( 30.021 -2.681 13.912) 33.196 4.415 ( 12.396 -4.433 -3.937) 13.740 4.601 ( -3.707 -4.085 3.155) 6.355 5.044 ( 6.515 3.007 9.974) 12.287 5.202 ( -0.495 9.427 -1.652) 9.583 5.594 ( -11.156 0.785 14.012) 17.928 5.649 ( 0.625 4.710 4.983) 6.885 5.855 ( 1.945 -1.081 -1.966) 2.969 6.217 ( 8.267 -6.125 -13.439) 16.925 6.394 ( -2.054 -3.598 -7.715) 8.757 6.652 ( -6.109 6.148 -5.076) 10.044 6.885 ( -7.007 0.759 -9.331) 11.693 7.183 ( -12.787 -5.633 -7.428) 15.824 7.379 ( -2.323 -5.695 -4.467) 7.602 7.653 ( -6.426 8.998 6.575) 12.864 7.825 ( 3.580 -1.228 -1.322) 4.009 7.944 ( -9.851 -0.295 4.515) 10.840 8.150 ( -5.122 -2.282 7.434) 9.312 8.326 ( 1.810 4.496 6.553) 8.151 8.844 ( 1.100 -7.044 -5.672) 9.110 8.915 ( -4.256 3.851 2.232) 6.158 9.260 ( 0.070 6.825 -8.961) 11.264 9.985 ( -6.328 -6.420 10.320) 13.702 10.189 ( -7.652 -3.651 1.111) 8.551 10.309 ( -1.790 -11.079 3.334) 11.707 10.567 ( 5.875 -6.958 -2.816) 9.532 10.887 ( 0.458 3.309 0.284) 3.353 10.972 ( -4.497 3.721 -1.241) 5.967 11.543 ( 0.088 5.199 -4.550) 6.909 11.787 ( 1.711 16.040 0.517) 16.139 12.937 ( -2.792 -2.487 3.476) 5.105 13.057 ( -7.351 0.100 -0.940) 7.412 14.001 ( 6.483 -6.564 -1.287) 9.315 14.319 ( 9.410 2.815 0.146) 9.823 14.767 ( -2.291 1.345 10.624) 10.951 15.089 ( -8.772 -2.075 -0.812) 9.050 15.313 ( -1.679 -3.529 -1.079) 4.055 15.477 ( -2.757 -5.787 -3.061) 7.104 16.134 ( -4.314 -4.087 -1.450) 6.117 16.220 ( -0.196 1.716 0.012) 1.727 17.007 ( 1.299 -0.400 5.707) 5.866 17.056 ( 2.155 2.854 9.226) 9.894 17.199 ( 5.359 4.489 -6.057) 9.249 17.635 ( -2.394 -3.031 -13.357) 13.905 17.978 ( 6.026 -11.970 -0.169) 13.402 18.555 ( 5.998 10.042 5.321) 12.850 19.251 ( 3.407 -8.097 -3.392) 9.416 19.495 ( 0.519 -0.643 2.012) 2.175 19.620 ( 0.712 -19.022 -2.598) 19.212 19.854 ( 8.634 -3.065 -0.818) 9.199 19.914 ( 0.365 0.315 0.144) 0.503 20.395 ( -4.125 6.536 -0.589) 7.751 20.698 ( 2.250 7.440 -1.040) 7.842 20.990 ( 6.357 11.283 -7.451) 14.941 22.240 ( -10.422 -6.095 8.396) 14.706 22.444 ( -11.842 -2.251 -0.023) 12.054 ======================= Grid point 257 (83/144) ======================= q-point: ( 0.40 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( 9.828 7.569 7.068) 14.277 2.576 ( -0.358 4.685 -0.198) 4.703 2.860 ( 11.351 6.422 5.188) 14.036 3.236 ( -6.046 3.000 -10.716) 12.665 4.407 ( 6.794 -10.894 3.854) 13.405 4.579 ( 1.931 -2.850 3.807) 5.132 4.636 ( 8.094 -1.624 -1.879) 8.467 5.069 ( -2.064 10.207 -3.233) 10.904 5.281 ( 6.736 3.053 12.349) 14.394 5.443 ( -3.612 1.691 14.665) 15.198 5.712 ( 5.586 2.621 4.156) 7.440 5.877 ( 0.278 -1.719 -2.941) 3.418 6.329 ( 3.403 -6.623 -17.820) 19.313 6.455 ( 4.614 -1.434 2.512) 5.445 6.594 ( 1.598 4.752 -8.756) 10.090 6.791 ( -3.393 -0.401 4.498) 5.649 6.936 ( -7.747 -0.378 -12.612) 14.807 7.284 ( -8.315 0.644 -9.893) 12.939 7.596 ( -0.923 -0.858 4.520) 4.692 7.728 ( -10.785 0.377 4.500) 11.692 7.893 ( 3.319 -5.017 6.121) 8.582 8.063 ( -4.355 -2.656 7.374) 8.967 8.391 ( 4.100 0.574 4.408) 6.047 8.816 ( -5.297 7.251 8.698) 12.501 8.907 ( 4.811 -6.452 -9.901) 12.759 9.232 ( -2.970 3.933 -8.259) 9.618 9.887 ( -2.646 -1.510 1.960) 3.622 10.030 ( -8.354 -3.456 -3.708) 9.772 10.253 ( -2.830 -11.454 2.605) 12.083 10.682 ( 4.903 -2.923 -0.495) 5.729 10.812 ( -3.930 3.688 -1.948) 5.731 10.997 ( 2.352 1.373 1.003) 2.902 11.540 ( -0.288 5.456 -4.292) 6.947 11.805 ( 0.336 17.062 2.646) 17.270 12.891 ( -1.773 -2.376 2.934) 4.171 12.936 ( -4.676 -0.618 0.758) 4.777 14.101 ( 3.744 -7.179 -1.271) 8.196 14.444 ( 3.771 5.684 4.461) 8.151 14.761 ( 1.180 0.909 7.408) 7.557 14.950 ( -5.289 1.000 2.172) 5.805 15.296 ( -0.017 -3.558 -1.488) 3.856 15.414 ( -3.591 -4.014 -2.363) 5.882 16.064 ( -2.606 -5.470 -3.855) 7.181 16.209 ( -0.735 3.943 -1.221) 4.193 17.033 ( 1.265 0.258 4.658) 4.834 17.064 ( -0.218 4.565 4.810) 6.635 17.332 ( 7.360 -0.441 -4.664) 8.725 17.575 ( -4.086 -4.479 -11.485) 12.987 18.081 ( 4.097 -8.983 1.837) 10.042 18.639 ( 2.771 12.402 8.588) 15.338 19.311 ( 2.783 -5.228 -4.518) 7.449 19.498 ( -0.055 1.793 0.180) 1.803 19.613 ( -0.951 -21.595 -3.969) 21.977 19.928 ( 0.646 -8.349 0.112) 8.375 20.023 ( 8.182 -4.312 0.858) 9.289 20.307 ( -5.046 3.282 0.777) 6.069 20.746 ( 2.572 8.916 -3.878) 10.057 21.097 ( 4.373 13.186 -4.945) 14.746 22.088 ( -4.775 -4.492 7.213) 9.747 22.227 ( -10.169 -2.951 0.314) 10.593 ======================= Grid point 258 (84/144) ======================= q-point: (-0.50 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.461 ( -0.000 5.780 1.469) 5.964 2.544 ( -0.000 7.621 2.925) 8.163 3.071 ( -0.000 4.895 -1.630) 5.159 3.079 ( 0.000 2.899 -1.932) 3.484 4.443 ( -0.000 -13.358 -1.361) 13.427 4.604 ( -0.000 -2.833 5.895) 6.540 4.707 ( -0.000 -0.899 -1.882) 2.086 5.043 ( -0.000 14.410 -2.909) 14.701 5.378 ( 0.000 1.948 11.292) 11.458 5.395 ( -0.000 -0.553 13.014) 13.025 5.806 ( -0.000 -0.305 -1.409) 1.441 5.872 ( 0.000 -0.486 0.487) 0.688 6.405 ( 0.000 -5.912 -16.765) 17.777 6.414 ( 0.000 -0.363 6.085) 6.096 6.643 ( 0.000 4.030 10.084) 10.859 6.740 ( -0.000 3.492 -12.435) 12.916 6.999 ( 0.000 -2.872 -14.843) 15.118 7.101 ( -0.000 0.467 -8.858) 8.870 7.589 ( 0.000 -1.551 3.992) 4.283 7.603 ( 0.000 -2.111 5.588) 5.973 7.955 ( 0.000 -5.900 12.794) 14.089 7.992 ( 0.000 -0.702 3.278) 3.353 8.441 ( 0.000 -3.281 2.813) 4.322 8.753 ( 0.000 10.582 12.410) 16.309 8.975 ( 0.000 -6.782 -14.067) 15.617 9.183 ( 0.000 2.180 -5.466) 5.884 9.900 ( -0.000 -0.445 -11.009) 11.018 9.905 ( 0.000 -1.130 3.323) 3.510 10.224 ( 0.000 -11.585 2.755) 11.908 10.732 ( -0.000 12.199 2.601) 12.473 10.772 ( 0.000 -11.421 -4.161) 12.156 11.020 ( 0.000 1.713 0.719) 1.858 11.536 ( -0.000 5.716 -4.212) 7.101 11.807 ( -0.000 17.351 3.522) 17.705 12.874 ( 0.000 -2.165 3.127) 3.803 12.890 ( 0.000 -1.078 1.001) 1.471 14.138 ( 0.000 -7.496 -1.628) 7.671 14.477 ( 0.000 6.559 6.197) 9.024 14.778 ( 0.000 -1.454 4.652) 4.874 14.899 ( 0.000 5.338 5.534) 7.688 15.304 ( 0.000 -4.823 -3.213) 5.795 15.367 ( -0.000 -2.643 -0.695) 2.732 16.039 ( 0.000 -6.280 -5.214) 8.162 16.200 ( 0.000 4.895 -1.588) 5.146 17.047 ( 0.000 0.391 4.444) 4.461 17.061 ( 0.000 3.885 3.518) 5.241 17.444 ( -0.000 -4.754 -10.075) 11.140 17.495 ( 0.000 -1.045 -4.775) 4.888 18.121 ( 0.000 -8.006 2.140) 8.287 18.665 ( 0.000 13.231 9.794) 16.462 19.343 ( 0.000 -4.404 -5.609) 7.132 19.496 ( 0.000 3.193 -0.046) 3.194 19.601 ( 0.000 -23.484 -4.153) 23.849 19.933 ( 0.000 -10.867 0.271) 10.871 20.133 ( -0.000 -5.468 1.410) 5.646 20.227 ( 0.000 3.108 1.179) 3.324 20.776 ( 0.000 8.571 -6.267) 10.618 21.141 ( 0.000 14.890 -2.227) 15.056 22.068 ( -0.000 -4.376 3.740) 5.756 22.094 ( 0.000 -3.170 2.776) 4.214 ======================= Grid point 264 (85/144) ======================= q-point: ( 0.00 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( 0.000 9.373 23.176) 25.000 1.757 ( 0.000 10.740 21.410) 23.953 2.617 ( 0.000 3.278 -15.782) 16.119 2.660 ( 0.000 7.314 -19.138) 20.488 3.155 ( 0.000 21.183 36.546) 42.241 4.128 ( 0.000 -5.428 -6.780) 8.685 4.842 ( 0.000 2.310 13.726) 13.919 5.006 ( 0.000 4.267 -5.522) 6.978 5.209 ( 0.000 -2.135 -11.652) 11.846 5.622 ( 0.000 -0.938 -14.923) 14.952 5.867 ( 0.000 3.069 -1.570) 3.447 5.964 ( 0.000 13.475 2.306) 13.671 6.316 ( 0.000 -9.410 9.480) 13.357 6.502 ( 0.000 -1.219 3.636) 3.835 6.958 ( 0.000 8.330 -12.781) 15.256 6.978 ( 0.000 -4.738 -13.775) 14.567 7.331 ( 0.000 6.046 7.979) 10.011 7.697 ( 0.000 3.663 -0.805) 3.750 7.807 ( 0.000 -10.070 8.336) 13.073 7.977 ( 0.000 8.078 0.440) 8.090 8.365 ( 0.000 -7.989 3.376) 8.673 8.551 ( 0.000 4.577 -0.972) 4.679 8.622 ( 0.000 3.932 0.863) 4.026 8.785 ( 0.000 -2.932 -6.280) 6.931 9.147 ( 0.000 4.078 -2.180) 4.624 9.207 ( 0.000 0.122 -3.495) 3.497 9.886 ( 0.000 -0.335 3.560) 3.575 9.952 ( 0.000 -8.073 0.751) 8.108 10.283 ( 0.000 -12.740 1.378) 12.814 10.300 ( 0.000 -5.654 -0.147) 5.656 10.813 ( 0.000 -11.390 17.284) 20.700 11.234 ( 0.000 -10.322 -4.855) 11.407 11.778 ( 0.000 17.106 2.123) 17.237 11.985 ( 0.000 19.638 -6.671) 20.740 13.024 ( 0.000 -0.902 8.048) 8.098 13.307 ( 0.000 -1.545 12.687) 12.780 13.372 ( 0.000 3.908 -7.666) 8.605 13.819 ( 0.000 -1.154 -10.913) 10.973 14.911 ( 0.000 -9.828 6.342) 11.696 15.092 ( 0.000 -22.153 -1.695) 22.218 15.326 ( 0.000 -2.936 9.423) 9.870 15.657 ( 0.000 2.236 -6.191) 6.583 16.061 ( 0.000 -5.157 4.157) 6.624 16.214 ( 0.000 -5.147 -2.333) 5.651 16.645 ( 0.000 -3.931 2.598) 4.712 16.657 ( 0.000 -6.781 12.563) 14.276 17.029 ( 0.000 -3.651 2.023) 4.174 17.597 ( 0.000 -11.913 -17.062) 20.809 18.128 ( 0.000 3.485 3.280) 4.786 18.274 ( 0.000 6.938 -3.108) 7.602 18.908 ( 0.000 -8.381 6.562) 10.644 19.161 ( 0.000 -0.457 -5.713) 5.731 19.476 ( 0.000 3.714 4.049) 5.495 19.620 ( 0.000 -1.438 -2.903) 3.239 20.510 ( 0.000 13.511 5.308) 14.516 20.537 ( 0.000 -1.949 3.579) 4.075 20.742 ( 0.000 4.794 -0.314) 4.804 20.968 ( 0.000 18.675 -11.674) 22.024 22.644 ( 0.000 -10.898 -1.383) 10.985 22.655 ( 0.000 -8.656 -1.307) 8.754 ======================= Grid point 265 (86/144) ======================= q-point: ( 0.10 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( 10.300 10.002 19.167) 23.948 2.039 ( 24.702 10.013 19.025) 32.747 2.627 ( 2.700 4.491 -17.222) 18.002 2.843 ( 15.916 6.415 -14.410) 22.408 3.221 ( 7.674 17.389 32.630) 37.762 4.128 ( -0.018 -5.405 -7.782) 9.475 4.774 ( -6.298 -0.991 10.123) 11.964 4.997 ( -0.118 5.290 -2.227) 5.741 5.266 ( 4.433 -0.297 -7.912) 9.074 5.639 ( 1.665 -0.529 -13.506) 13.619 5.848 ( -1.519 2.465 -2.580) 3.878 5.934 ( -2.757 12.013 4.360) 13.074 6.327 ( -0.158 -6.211 7.416) 9.675 6.391 ( -8.547 1.252 5.313) 10.141 6.961 ( 3.363 -1.091 -9.164) 9.822 7.084 ( 3.923 1.539 -15.049) 15.628 7.212 ( -9.741 0.952 3.400) 10.361 7.444 ( -14.769 -1.215 -6.905) 16.349 7.941 ( 4.015 -3.633 7.202) 9.010 8.003 ( -2.476 6.777 10.914) 13.083 8.229 ( -6.653 -3.683 -2.171) 7.909 8.503 ( -4.303 0.861 1.558) 4.657 8.586 ( -6.234 9.551 1.682) 11.529 8.812 ( -0.723 -2.858 -8.254) 8.764 9.066 ( -5.823 3.705 1.219) 7.008 9.244 ( 4.697 0.926 -5.000) 6.922 9.801 ( -1.588 -6.942 7.697) 10.485 10.098 ( 6.649 -8.054 1.114) 10.503 10.191 ( -3.576 -9.976 -2.514) 10.891 10.352 ( -0.201 -8.301 1.944) 8.528 10.803 ( -0.112 -5.900 15.356) 16.450 11.207 ( -2.704 -7.773 -4.554) 9.406 11.772 ( -0.382 17.110 -0.232) 17.115 12.019 ( 3.339 19.316 -4.603) 20.136 12.995 ( -2.295 -1.499 7.366) 7.860 13.324 ( -4.110 2.710 -6.855) 8.439 13.482 ( 13.578 -4.878 4.412) 15.087 13.879 ( 6.708 -0.603 -6.740) 9.528 14.904 ( -0.978 -6.938 7.042) 9.934 15.103 ( 1.061 -20.796 -1.656) 20.889 15.247 ( -6.690 -5.251 8.095) 11.741 15.586 ( -6.209 1.846 -6.280) 9.022 16.106 ( 2.882 -4.248 3.528) 6.229 16.204 ( -0.681 -3.144 -0.575) 3.267 16.719 ( 6.411 -4.472 11.960) 14.288 16.802 ( 13.969 -5.764 -0.427) 15.117 17.026 ( 0.369 -3.297 2.044) 3.896 17.586 ( -0.983 -12.450 -15.734) 20.088 18.077 ( -6.110 9.821 0.380) 11.573 18.334 ( 6.225 3.499 1.597) 7.317 18.873 ( -0.815 -9.397 2.431) 9.740 19.217 ( 3.739 -4.159 -3.714) 6.714 19.475 ( -0.002 2.344 3.942) 4.586 19.640 ( 2.154 -0.923 -2.592) 3.494 20.361 ( -9.544 9.288 3.966) 13.896 20.588 ( -0.980 -0.890 2.169) 2.541 20.761 ( 3.134 9.701 1.243) 10.270 21.013 ( 3.950 15.328 -10.586) 19.042 22.493 ( -10.293 -9.775 0.887) 14.223 22.677 ( -2.439 -8.198 -1.827) 8.745 ======================= Grid point 266 (87/144) ======================= q-point: ( 0.20 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 16.471 9.887 13.880) 23.700 2.493 ( 17.668 12.534 13.082) 25.307 2.714 ( 6.396 6.116 -10.918) 14.054 3.184 ( 16.700 6.380 -10.730) 20.850 3.498 ( 21.854 6.200 20.174) 30.382 4.146 ( 3.316 -5.437 -8.066) 10.277 4.635 ( -7.327 -3.895 5.601) 10.011 5.027 ( 3.646 5.558 6.234) 9.113 5.327 ( 0.995 0.410 -3.683) 3.837 5.681 ( 2.429 2.135 -6.969) 7.682 5.824 ( -0.849 -0.144 -7.080) 7.132 5.873 ( -3.648 9.295 9.359) 13.686 6.172 ( -8.281 5.124 5.972) 11.423 6.376 ( 0.951 -2.314 1.201) 2.775 6.943 ( -11.071 3.510 -6.393) 13.258 7.003 ( -8.057 -5.652 -2.594) 10.178 7.098 ( 0.848 -2.315 -13.911) 14.128 7.305 ( -1.592 -6.031 -12.531) 13.997 7.784 ( -12.597 -3.118 4.099) 13.609 7.971 ( -1.386 -0.475 12.923) 13.005 8.197 ( -3.366 10.832 4.170) 12.085 8.379 ( -13.541 8.471 2.594) 16.182 8.415 ( -3.948 1.963 3.623) 5.707 8.724 ( -4.249 -6.002 -10.492) 12.813 9.028 ( 0.019 3.516 1.676) 3.895 9.349 ( 4.392 4.001 -4.447) 7.421 9.802 ( 0.501 -12.480 11.699) 17.114 10.127 ( -1.101 -8.341 3.587) 9.146 10.194 ( -1.010 -13.069 -4.674) 13.917 10.296 ( -2.290 -7.346 -1.394) 7.820 10.840 ( 3.920 -0.507 10.917) 11.611 11.138 ( -4.270 -2.142 -3.025) 5.654 11.769 ( 0.025 17.051 -3.580) 17.423 12.097 ( 4.355 19.497 -1.241) 20.016 12.944 ( -2.912 -1.983 4.862) 6.005 13.209 ( -7.439 0.652 -5.441) 9.239 13.718 ( 9.901 -6.438 -3.961) 12.457 14.084 ( 13.698 -0.877 -0.130) 13.726 14.864 ( -3.145 -0.703 9.005) 9.564 15.104 ( -3.779 -10.906 3.788) 12.148 15.143 ( -1.002 -14.488 -1.671) 14.618 15.466 ( -5.490 0.719 -4.911) 7.401 16.087 ( -4.115 -7.432 0.318) 8.501 16.238 ( 3.309 2.292 1.661) 4.354 16.869 ( 8.140 -3.540 12.608) 15.419 16.997 ( 3.681 -0.642 0.076) 3.737 17.150 ( 13.042 -2.787 -4.392) 14.041 17.564 ( -1.320 -12.952 -12.673) 18.169 17.920 ( -7.935 13.139 0.079) 15.349 18.487 ( 8.806 0.342 5.732) 10.513 18.919 ( 4.914 -12.519 -2.526) 13.684 19.262 ( 0.861 -8.402 -2.816) 8.903 19.478 ( 0.427 -0.259 3.496) 3.532 19.704 ( 4.576 -0.339 -1.691) 4.890 20.170 ( -9.976 8.811 2.411) 13.527 20.524 ( -4.682 -1.274 1.243) 5.009 20.841 ( 4.352 10.765 1.910) 11.768 21.099 ( 4.900 11.257 -9.292) 15.397 22.284 ( -10.829 -8.650 3.628) 14.326 22.566 ( -8.655 -6.392 -1.613) 10.880 ======================= Grid point 267 (88/144) ======================= q-point: ( 0.30 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( 16.212 10.004 8.836) 21.000 2.677 ( 4.163 10.736 0.542) 11.528 2.864 ( 8.129 9.462 4.287) 13.190 3.373 ( 2.220 6.090 -10.025) 11.938 3.965 ( 21.454 -4.330 8.043) 23.317 4.315 ( 14.146 -4.585 -6.247) 16.129 4.526 ( -2.961 -3.760 5.133) 7.018 5.132 ( 6.736 4.631 10.753) 13.507 5.294 ( -3.472 -1.618 0.768) 3.907 5.689 ( -3.693 8.933 7.556) 12.270 5.783 ( -2.437 5.203 8.846) 10.548 5.835 ( 1.054 2.345 -11.497) 11.781 6.144 ( 5.450 1.283 -2.463) 6.117 6.362 ( -1.921 0.130 -6.608) 6.882 6.743 ( -7.528 1.946 -3.113) 8.375 6.856 ( -5.093 -2.890 -5.362) 7.940 7.099 ( -7.109 -3.043 -11.385) 13.763 7.239 ( -1.287 -6.228 -6.873) 9.364 7.659 ( -1.579 -9.412 1.371) 9.641 7.881 ( -8.246 8.866 10.632) 16.114 8.033 ( -11.740 4.546 6.143) 14.008 8.127 ( -10.553 2.444 2.068) 11.028 8.386 ( -0.163 0.860 2.850) 2.982 8.714 ( 2.221 -5.432 -10.658) 12.167 9.014 ( -1.469 5.296 5.139) 7.524 9.370 ( -2.411 3.245 -1.227) 4.225 9.812 ( 0.676 -9.979 6.819) 12.105 10.064 ( -7.709 -9.122 -1.779) 12.075 10.096 ( -3.462 -9.224 0.912) 9.894 10.351 ( 5.426 -11.838 -5.244) 14.039 10.931 ( 5.022 1.000 7.705) 9.252 11.051 ( -4.662 2.694 0.210) 5.388 11.772 ( 0.317 17.322 -5.684) 18.233 12.168 ( 2.747 20.041 2.267) 20.355 12.889 ( -2.633 -1.641 1.951) 3.665 13.058 ( -7.690 0.212 -3.145) 8.311 13.872 ( 6.522 -5.890 -5.133) 10.177 14.345 ( 12.170 -0.289 3.238) 12.597 14.806 ( -2.141 2.328 8.514) 9.083 15.010 ( -4.630 -6.025 3.057) 8.190 15.154 ( 0.953 -12.640 -3.823) 13.240 15.386 ( -3.212 -1.755 -1.822) 4.088 15.991 ( -5.433 -9.046 -2.959) 10.959 16.291 ( 1.971 4.419 1.339) 5.020 16.975 ( 3.056 -2.383 7.443) 8.391 17.099 ( 6.644 1.479 5.868) 8.987 17.319 ( 3.490 3.757 -7.715) 9.264 17.521 ( -3.136 -6.524 -9.836) 12.213 17.872 ( 3.591 2.437 -0.472) 4.366 18.646 ( 7.352 -1.570 8.742) 11.530 19.024 ( 5.189 -14.297 -4.981) 16.005 19.256 ( -1.233 -11.155 -3.253) 11.685 19.495 ( 1.438 -1.418 2.414) 3.147 19.812 ( 6.449 -0.869 -0.457) 6.523 19.989 ( -8.636 6.009 1.155) 10.584 20.424 ( -5.572 -1.412 1.693) 5.993 20.917 ( 3.605 11.246 -0.005) 11.810 21.203 ( 6.022 8.884 -7.439) 13.059 22.095 ( -8.590 -7.448 5.469) 12.616 22.365 ( -11.754 -5.349 -1.480) 12.998 ======================= Grid point 268 (89/144) ======================= q-point: ( 0.40 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.546 ( 10.578 11.117 4.834) 16.089 2.716 ( 0.448 9.571 -0.590) 9.600 3.013 ( 7.621 7.135 4.442) 11.346 3.327 ( -5.242 6.430 -5.738) 10.087 4.180 ( 2.910 -9.732 -1.545) 10.275 4.530 ( 2.043 -2.564 7.148) 7.864 4.580 ( 8.999 -4.028 -3.714) 10.536 5.256 ( 3.390 6.805 0.106) 7.603 5.272 ( 4.694 -4.185 12.966) 14.411 5.575 ( -6.399 11.389 9.832) 16.349 5.789 ( 2.360 2.893 2.891) 4.722 5.860 ( 0.870 3.162 -8.120) 8.757 6.254 ( 3.146 0.024 -10.578) 11.036 6.430 ( 9.943 -0.674 -0.698) 9.990 6.673 ( -0.521 2.427 -4.391) 5.044 6.768 ( -5.025 -0.771 3.816) 6.357 6.937 ( -4.056 -0.054 -10.716) 11.458 7.224 ( -3.902 -5.407 -9.180) 11.346 7.602 ( -5.328 -6.214 6.011) 10.156 7.700 ( -11.101 3.787 3.383) 12.207 7.822 ( -5.012 -2.449 8.439) 10.116 8.019 ( -2.467 -0.675 1.218) 2.833 8.372 ( -1.337 -3.331 -2.522) 4.387 8.784 ( 4.900 -4.474 -7.018) 9.658 8.984 ( -1.667 7.771 9.243) 12.190 9.276 ( -6.200 -0.008 0.258) 6.206 9.826 ( 0.693 -5.722 3.170) 6.578 9.936 ( -4.700 -4.657 -10.703) 12.583 10.034 ( -2.844 -9.899 2.989) 10.725 10.452 ( 4.408 -13.920 -4.395) 15.248 10.968 ( -3.590 5.642 3.825) 7.704 11.016 ( 3.409 1.438 5.989) 7.040 11.780 ( 0.375 17.974 -6.431) 19.094 12.200 ( 0.683 20.213 5.248) 20.894 12.850 ( -1.398 -1.013 0.485) 1.794 12.934 ( -4.802 0.921 -2.743) 5.606 13.970 ( 3.569 -5.777 -5.339) 8.638 14.514 ( 5.120 1.132 7.251) 8.948 14.782 ( -1.259 1.084 5.005) 5.273 14.972 ( 2.012 -0.028 4.497) 4.926 15.173 ( 0.988 -8.796 -3.785) 9.627 15.317 ( -4.362 -4.055 0.541) 5.980 15.897 ( -3.831 -10.565 -6.377) 12.921 16.316 ( 0.770 5.845 -0.078) 5.896 17.018 ( 1.623 -1.594 5.264) 5.734 17.183 ( 1.506 5.613 6.318) 8.584 17.339 ( 0.384 1.052 -7.655) 7.736 17.483 ( -0.506 -2.380 -6.224) 6.683 17.975 ( 4.981 -1.963 -1.721) 5.624 18.761 ( 4.429 -2.069 11.165) 12.188 19.096 ( 2.011 -18.416 -4.649) 19.100 19.230 ( -0.963 -10.048 -5.741) 11.612 19.537 ( 2.774 0.416 0.768) 2.908 19.838 ( -6.301 1.404 1.478) 6.623 19.944 ( 6.148 -2.321 0.131) 6.573 20.315 ( -5.527 -1.565 2.154) 6.135 20.978 ( 2.554 11.465 -3.433) 12.237 21.324 ( 6.025 8.694 -4.309) 11.422 21.969 ( -3.954 -6.679 5.520) 9.525 22.140 ( -10.952 -5.383 -0.899) 12.237 ======================= Grid point 269 (90/144) ======================= q-point: (-0.50 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.664 ( -0.000 13.802 1.991) 13.945 2.706 ( -0.000 7.462 1.495) 7.610 3.127 ( -0.000 1.419 -0.837) 1.647 3.235 ( 0.000 10.807 0.603) 10.824 4.195 ( 0.000 -10.092 -4.019) 10.863 4.547 ( -0.000 -2.735 7.478) 7.963 4.650 ( -0.000 -4.534 -2.581) 5.217 5.281 ( -0.000 -3.675 3.967) 5.408 5.377 ( -0.000 10.196 5.369) 11.523 5.480 ( 0.000 7.991 10.790) 13.427 5.832 ( -0.000 -1.928 -6.568) 6.845 5.863 ( 0.000 6.122 -1.793) 6.379 6.329 ( 0.000 -1.012 -10.531) 10.580 6.449 ( 0.000 3.529 5.477) 6.515 6.705 ( -0.000 1.523 10.921) 11.026 6.763 ( 0.000 -0.656 -10.176) 10.197 6.981 ( 0.000 1.318 -14.759) 14.817 7.075 ( -0.000 -3.208 -5.304) 6.198 7.527 ( 0.000 -5.406 5.505) 7.715 7.576 ( -0.000 0.348 2.886) 2.907 7.796 ( 0.000 -8.539 11.422) 14.261 7.998 ( 0.000 1.425 -0.988) 1.734 8.354 ( 0.000 -6.707 -6.140) 9.093 8.863 ( 0.000 -3.559 -9.353) 10.007 8.949 ( -0.000 7.387 16.632) 18.198 9.201 ( 0.000 0.030 -1.167) 1.168 9.835 ( 0.000 -6.508 5.050) 8.237 9.891 ( 0.000 -0.446 -16.172) 16.178 10.004 ( 0.000 -9.935 2.948) 10.363 10.498 ( 0.000 -14.778 -4.539) 15.459 10.929 ( 0.000 6.362 5.738) 8.568 11.051 ( 0.000 1.964 5.346) 5.695 11.784 ( -0.000 18.388 -6.500) 19.503 12.204 ( -0.000 20.117 6.488) 21.137 12.837 ( 0.000 -0.853 0.505) 0.991 12.886 ( 0.000 1.509 -3.387) 3.708 14.004 ( 0.000 -5.787 -5.537) 8.009 14.558 ( 0.000 1.564 8.478) 8.621 14.761 ( 0.000 -0.266 4.226) 4.234 15.027 ( 0.000 5.220 6.226) 8.125 15.188 ( 0.000 -4.859 -3.513) 5.996 15.250 ( -0.000 -9.098 0.420) 9.107 15.859 ( 0.000 -11.310 -8.033) 13.873 16.323 ( 0.000 6.455 -0.813) 6.506 17.035 ( 0.000 -1.440 5.012) 5.215 17.188 ( -0.000 8.056 4.526) 9.240 17.346 ( 0.000 -3.903 -8.322) 9.192 17.483 ( 0.000 0.349 -2.693) 2.715 18.025 ( 0.000 -2.112 -2.003) 2.911 18.806 ( 0.000 -1.444 12.468) 12.551 19.109 ( 0.000 -22.749 -4.015) 23.101 19.224 ( 0.000 -7.503 -7.697) 10.749 19.576 ( -0.000 3.647 -0.718) 3.717 19.764 ( 0.000 -2.707 2.568) 3.731 20.020 ( -0.000 -3.387 0.024) 3.387 20.246 ( 0.000 -1.232 2.683) 2.952 21.005 ( 0.000 11.370 -5.386) 12.581 21.393 ( 0.000 9.560 -1.876) 9.742 21.954 ( 0.000 -6.465 2.777) 7.036 21.998 ( 0.000 -6.062 1.289) 6.198 ======================= Grid point 275 (91/144) ======================= q-point: ( 0.00 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( 0.000 13.699 6.774) 15.282 1.973 ( 0.000 9.978 10.036) 14.152 2.675 ( 0.000 2.166 -11.908) 12.103 2.779 ( 0.000 3.616 -22.450) 22.739 3.560 ( 0.000 18.256 26.603) 32.265 4.088 ( 0.000 1.247 1.551) 1.990 4.816 ( 0.000 -4.455 12.734) 13.491 5.072 ( 0.000 -9.977 -9.675) 13.898 5.141 ( 0.000 9.236 -5.576) 10.789 5.596 ( 0.000 -1.268 -14.853) 14.907 5.967 ( 0.000 2.163 10.753) 10.968 6.155 ( 0.000 0.568 9.712) 9.728 6.191 ( 0.000 1.478 5.663) 5.852 6.504 ( 0.000 6.362 -11.827) 13.429 6.883 ( 0.000 -4.532 -6.340) 7.794 7.099 ( 0.000 4.164 -15.433) 15.985 7.441 ( 0.000 0.219 11.429) 11.431 7.682 ( 0.000 1.189 7.560) 7.653 7.763 ( 0.000 2.849 5.985) 6.628 7.993 ( 0.000 -11.061 -11.458) 15.926 8.242 ( 0.000 2.669 7.696) 8.145 8.579 ( 0.000 -1.207 5.999) 6.119 8.745 ( 0.000 -0.827 -10.055) 10.089 8.786 ( 0.000 9.018 1.611) 9.161 9.201 ( 0.000 -0.125 -3.411) 3.413 9.262 ( 0.000 6.313 -4.320) 7.649 9.801 ( 0.000 -6.078 4.337) 7.466 9.846 ( 0.000 -3.410 1.185) 3.609 10.064 ( 0.000 -8.018 3.248) 8.651 10.172 ( 0.000 -6.509 -2.238) 6.883 10.670 ( 0.000 -3.351 12.983) 13.409 11.041 ( 0.000 -8.414 -4.700) 9.638 12.180 ( 0.000 21.842 2.866) 22.029 12.398 ( 0.000 20.324 -7.173) 21.552 13.020 ( 0.000 0.919 9.848) 9.891 13.246 ( 0.000 -4.165 11.120) 11.874 13.472 ( 0.000 5.552 -11.088) 12.401 13.755 ( 0.000 -5.607 -12.159) 13.390 14.593 ( 0.000 -25.452 2.841) 25.610 14.602 ( 0.000 -18.340 2.071) 18.457 15.348 ( 0.000 3.868 10.294) 10.997 15.701 ( 0.000 1.125 -6.543) 6.639 15.969 ( 0.000 -3.250 4.021) 5.170 16.120 ( 0.000 -4.167 -3.072) 5.177 16.560 ( 0.000 -3.864 4.302) 5.782 16.578 ( 0.000 -1.906 9.633) 9.819 16.950 ( 0.000 -3.785 -0.095) 3.786 17.340 ( 0.000 -12.556 -13.508) 18.442 18.157 ( 0.000 0.139 4.075) 4.078 18.339 ( 0.000 -1.453 -4.557) 4.783 18.879 ( 0.000 5.669 9.367) 10.949 19.218 ( 0.000 5.135 -6.739) 8.472 19.543 ( 0.000 2.440 0.902) 2.602 19.577 ( 0.000 -2.983 -1.020) 3.153 20.490 ( 0.000 -2.202 3.805) 4.396 20.593 ( 0.000 -1.519 -0.559) 1.619 20.959 ( 0.000 12.563 6.887) 14.327 21.236 ( 0.000 8.151 -4.368) 9.247 22.459 ( 0.000 -7.068 -5.073) 8.700 22.486 ( 0.000 -7.372 -4.374) 8.572 ======================= Grid point 276 (92/144) ======================= q-point: ( 0.10 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( 9.843 13.578 6.297) 17.914 2.234 ( 24.149 8.661 8.546) 27.041 2.706 ( 3.898 3.316 -12.965) 13.939 2.953 ( 16.467 3.311 -17.602) 24.330 3.563 ( 0.742 15.849 23.606) 28.443 4.080 ( -0.828 0.697 -0.007) 1.082 4.707 ( -8.735 -4.836 8.453) 13.082 5.084 ( -0.927 -3.940 -5.667) 6.964 5.199 ( 5.957 2.249 -3.243) 7.145 5.616 ( 1.745 -0.695 -13.499) 13.629 5.973 ( 0.624 4.404 9.061) 10.094 6.098 ( -3.607 2.513 10.633) 11.506 6.234 ( 2.187 -0.555 6.031) 6.439 6.469 ( -3.132 8.930 -9.833) 13.647 6.900 ( 1.506 -4.057 -5.659) 7.124 7.106 ( 0.069 1.150 -13.713) 13.761 7.291 ( -13.822 2.362 3.399) 14.428 7.396 ( -16.419 -2.111 -0.768) 16.572 7.876 ( 3.127 -2.788 10.920) 11.696 8.060 ( -11.843 -2.074 1.949) 12.180 8.180 ( 9.538 0.495 -1.953) 9.749 8.496 ( -4.393 -1.563 0.227) 4.668 8.717 ( -3.853 3.223 3.660) 6.216 8.893 ( 1.192 10.375 -4.439) 11.347 9.144 ( -6.897 2.340 0.541) 7.303 9.244 ( 3.659 0.002 -5.112) 6.287 9.669 ( -6.645 -5.374 6.200) 10.558 9.907 ( 1.040 -9.643 -1.039) 9.755 10.021 ( -2.727 -6.253 1.010) 6.896 10.190 ( -0.083 -7.504 -0.963) 7.566 10.724 ( 4.910 -1.853 11.773) 12.889 11.056 ( 1.237 -6.852 -3.713) 7.890 12.184 ( 0.393 22.618 1.407) 22.665 12.422 ( 2.634 19.622 -5.444) 20.533 12.973 ( -3.245 -0.490 8.504) 9.115 13.361 ( 0.708 -1.404 -0.893) 1.809 13.401 ( 2.481 -1.388 -3.952) 4.868 13.848 ( 8.643 -2.248 -8.173) 12.106 14.626 ( 3.381 -24.671 2.932) 25.074 14.646 ( 3.999 -16.222 1.707) 16.795 15.241 ( -9.123 3.200 9.494) 13.550 15.620 ( -6.797 0.369 -7.292) 9.976 16.017 ( 0.980 -3.116 4.484) 5.548 16.166 ( 4.955 -1.091 -1.062) 5.184 16.647 ( 6.812 -2.609 10.836) 13.062 16.691 ( 13.388 -5.190 0.537) 14.369 16.957 ( 1.019 -3.255 -0.208) 3.417 17.333 ( -0.626 -11.927 -12.684) 17.422 18.189 ( 2.438 1.667 2.749) 4.035 18.380 ( 3.969 -0.821 -2.960) 5.019 18.797 ( -6.975 3.671 7.321) 10.757 19.222 ( -0.347 3.345 -4.689) 5.770 19.499 ( -2.484 -0.471 -0.053) 2.529 19.628 ( 3.594 -0.325 -0.257) 3.618 20.432 ( -5.713 0.056 3.690) 6.801 20.561 ( -3.211 -2.114 -0.209) 3.850 20.985 ( 2.547 11.191 6.148) 13.020 21.247 ( 1.123 7.438 -4.582) 8.808 22.330 ( -9.128 -5.807 -3.185) 11.277 22.508 ( -1.563 -7.936 -4.830) 9.421 ======================= Grid point 277 (93/144) ======================= q-point: ( 0.20 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( 14.943 11.978 5.710) 19.984 2.696 ( 16.028 5.644 -4.611) 17.607 2.857 ( 14.411 8.960 2.840) 17.205 3.320 ( 18.189 5.917 -10.436) 21.789 3.632 ( 8.680 6.982 12.536) 16.770 4.074 ( 1.715 -1.154 -3.324) 3.915 4.540 ( -7.863 -4.943 5.984) 11.048 5.063 ( -0.892 -6.668 -0.027) 6.728 5.303 ( 4.056 3.206 -0.415) 5.187 5.654 ( 2.553 -1.160 -10.993) 11.345 5.983 ( -0.111 9.600 7.965) 12.474 6.042 ( -2.079 4.587 11.303) 12.374 6.246 ( -0.921 2.395 3.525) 4.360 6.432 ( -0.003 9.787 -5.565) 11.259 6.877 ( -7.145 -4.025 -0.950) 8.255 6.992 ( -12.827 0.056 -2.495) 13.067 7.078 ( -3.764 -0.705 -14.336) 14.838 7.184 ( -4.377 -6.008 -9.842) 12.334 7.735 ( -14.368 -1.370 6.592) 15.867 7.940 ( -1.066 -1.189 9.707) 9.837 8.311 ( 2.317 -2.816 1.981) 4.150 8.479 ( 0.038 1.307 -3.705) 3.929 8.531 ( -14.313 8.180 6.105) 17.580 8.699 ( -14.848 5.774 -7.601) 17.652 9.097 ( 0.792 3.025 5.062) 5.950 9.384 ( 6.555 -1.372 -1.859) 6.951 9.569 ( -3.308 -9.497 6.998) 12.251 9.898 ( -1.858 -13.214 -2.384) 13.555 9.976 ( -1.966 -6.730 -1.284) 7.128 10.156 ( -2.366 -6.633 -2.713) 7.546 10.833 ( 6.111 0.149 10.289) 11.967 11.075 ( 0.471 -3.650 -0.969) 3.806 12.195 ( 0.687 23.649 -1.686) 23.719 12.491 ( 4.005 18.292 -1.263) 18.768 12.920 ( -2.158 -0.202 4.193) 4.720 13.214 ( -8.468 -0.408 -7.542) 11.347 13.597 ( 10.107 -5.396 -3.473) 11.972 14.062 ( 13.124 -0.999 -1.407) 13.237 14.711 ( 5.044 -19.736 2.919) 20.579 14.732 ( 4.567 -14.583 1.573) 15.362 15.059 ( -9.050 2.514 7.563) 12.059 15.489 ( -6.196 0.197 -7.466) 9.704 15.954 ( -6.189 -4.243 3.212) 8.162 16.282 ( 5.467 1.281 1.758) 5.884 16.802 ( 8.464 -2.975 9.613) 13.149 16.974 ( 8.362 -1.318 0.019) 8.465 17.051 ( 14.407 -5.991 -3.120) 15.912 17.328 ( 0.815 -9.967 -10.341) 14.385 18.187 ( -4.188 10.546 0.470) 11.356 18.468 ( 4.551 -1.052 3.016) 5.560 18.698 ( -1.398 -7.216 1.781) 7.563 19.182 ( -3.834 -1.342 -1.961) 4.511 19.472 ( -0.027 -0.038 -0.890) 0.891 19.708 ( 4.803 0.190 0.247) 4.813 20.289 ( -8.792 3.275 2.944) 9.834 20.479 ( -5.055 -2.781 0.671) 5.808 21.046 ( 3.617 9.201 4.568) 10.891 21.278 ( 2.236 5.973 -5.099) 8.165 22.142 ( -9.949 -4.795 -0.603) 11.061 22.418 ( -7.487 -7.691 -4.216) 11.531 ======================= Grid point 278 (94/144) ======================= q-point: ( 0.30 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.484 ( 14.784 9.274 4.048) 17.915 2.869 ( 6.321 5.661 -9.006) 12.374 3.087 ( 5.605 13.882 14.063) 20.540 3.523 ( 2.767 8.336 -3.756) 9.553 3.900 ( 14.490 -1.322 -0.985) 14.583 4.230 ( 14.382 -4.042 -6.181) 16.167 4.438 ( -1.766 -4.754 6.601) 8.324 5.041 ( -1.613 -13.407 3.248) 13.889 5.363 ( 3.488 9.366 3.685) 10.652 5.722 ( 3.763 -1.104 -8.059) 8.963 5.974 ( -0.450 11.406 8.419) 14.184 5.993 ( -3.349 7.521 6.780) 10.666 6.255 ( 3.589 8.090 0.442) 8.862 6.418 ( -2.803 6.966 -5.864) 9.528 6.711 ( -6.536 -3.670 -0.581) 7.518 6.815 ( -3.382 -1.293 -3.582) 5.093 7.040 ( -4.444 -3.175 -9.274) 10.763 7.128 ( -1.570 -5.281 -10.836) 12.156 7.518 ( -7.240 -3.443 3.368) 8.695 7.893 ( -3.973 -3.437 9.610) 10.952 8.184 ( -19.277 3.587 4.657) 20.153 8.229 ( -14.704 7.816 2.285) 16.808 8.367 ( -4.259 -1.249 -1.928) 4.839 8.623 ( 2.830 -3.427 -10.289) 11.208 9.115 ( 0.752 4.061 9.399) 10.266 9.365 ( -6.226 -3.672 4.505) 8.517 9.591 ( 2.752 -11.856 2.468) 12.419 9.856 ( -1.340 -9.492 -1.820) 9.757 9.932 ( -2.855 -6.369 -5.885) 9.130 10.143 ( 1.276 -8.264 -4.575) 9.532 10.948 ( 5.567 0.951 9.541) 11.087 11.069 ( -0.957 -0.466 2.960) 3.145 12.211 ( 1.054 24.323 -3.744) 24.632 12.555 ( 2.327 16.921 3.783) 17.494 12.890 ( -1.055 2.098 -1.383) 2.726 13.070 ( -6.143 0.880 -5.512) 8.300 13.760 ( 6.910 -4.997 -7.219) 11.173 14.318 ( 12.466 -1.882 2.925) 12.942 14.799 ( 3.934 -8.079 2.745) 9.396 14.820 ( 4.233 -18.766 2.238) 19.367 14.912 ( -5.532 1.477 4.447) 7.250 15.392 ( -3.893 0.826 -5.665) 6.923 15.813 ( -8.026 -6.529 0.491) 10.358 16.359 ( 2.793 1.053 3.418) 4.538 16.925 ( 4.302 -2.046 4.279) 6.403 17.126 ( 8.355 1.406 3.845) 9.304 17.268 ( 5.008 -5.938 -8.523) 11.531 17.432 ( 9.579 -3.716 -4.928) 11.395 18.056 ( -6.952 13.766 0.546) 15.431 18.544 ( 3.422 -6.153 5.899) 9.185 18.727 ( 2.412 -13.293 -2.792) 13.796 19.095 ( -4.425 -6.964 -0.348) 8.258 19.501 ( 2.913 2.154 -1.106) 3.788 19.812 ( 5.941 0.197 0.953) 6.020 20.110 ( -9.502 5.228 2.043) 11.036 20.372 ( -5.990 -3.298 1.454) 6.991 21.118 ( 3.739 8.371 1.946) 9.372 21.340 ( 4.483 4.518 -5.014) 8.102 21.964 ( -8.306 -4.783 1.971) 9.785 22.236 ( -11.045 -7.023 -3.444) 13.535 ======================= Grid point 279 (95/144) ======================= q-point: ( 0.40 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.727 ( 9.775 6.411 1.913) 11.845 2.967 ( 3.655 11.383 -2.401) 12.194 3.126 ( 0.080 6.694 7.527) 10.073 3.510 ( -2.011 10.943 0.991) 11.170 4.052 ( 2.422 -2.250 -6.077) 6.917 4.464 ( 2.575 -4.191 8.520) 9.838 4.478 ( 7.799 -5.657 -4.971) 10.842 5.018 ( -0.245 -16.282 3.899) 16.744 5.483 ( 9.157 12.083 4.870) 15.924 5.758 ( -0.629 4.116 0.070) 4.164 5.888 ( -4.756 8.638 -3.356) 10.416 6.011 ( 1.877 8.698 2.875) 9.351 6.332 ( -0.133 7.328 -3.912) 8.308 6.452 ( 11.709 4.092 -0.792) 12.429 6.669 ( 1.815 -1.488 4.042) 4.674 6.798 ( -4.099 2.537 -3.481) 5.946 6.910 ( -2.676 -2.880 -3.876) 5.521 7.124 ( -0.802 -3.808 -11.195) 11.852 7.434 ( -2.731 -7.082 3.706) 8.447 7.753 ( -11.927 -3.633 7.145) 14.370 7.795 ( -17.342 2.432 2.259) 17.656 8.042 ( -2.732 1.492 -2.889) 4.247 8.257 ( -7.230 -6.286 -7.034) 11.885 8.718 ( 6.762 -2.744 -1.707) 7.495 9.080 ( -6.086 -1.173 16.074) 17.227 9.262 ( -2.247 1.596 -1.455) 3.117 9.618 ( 0.597 -13.766 3.172) 14.139 9.840 ( -1.403 -7.861 4.974) 9.408 9.890 ( -0.730 -1.513 -16.775) 16.859 10.185 ( 2.310 -11.342 -4.754) 12.513 11.017 ( 0.222 1.182 9.301) 9.379 11.065 ( 1.844 1.738 6.739) 7.200 12.234 ( 1.145 24.983 -3.965) 25.322 12.577 ( 0.155 16.004 7.079) 17.501 12.873 ( -0.809 3.552 -3.899) 5.336 12.987 ( -2.515 4.099 -6.188) 7.837 13.862 ( 3.606 -4.726 -8.297) 10.207 14.501 ( 5.993 -1.961 6.074) 8.756 14.796 ( -3.492 -2.149 4.995) 6.462 14.883 ( 4.462 -8.387 1.557) 9.627 14.936 ( 4.907 -11.969 -0.338) 12.940 15.331 ( -2.781 4.784 -0.380) 5.546 15.664 ( -6.783 -10.628 -4.611) 13.425 16.398 ( 1.342 0.530 3.719) 3.989 16.986 ( 2.214 -0.778 2.564) 3.476 17.243 ( 4.122 0.283 -2.357) 4.757 17.351 ( 3.173 1.295 0.018) 3.428 17.530 ( 0.423 4.338 -3.693) 5.713 17.998 ( 0.830 4.925 -1.915) 5.349 18.604 ( 2.911 -10.025 5.552) 11.823 18.738 ( -1.428 -14.969 -3.247) 15.384 19.039 ( -1.223 -10.453 0.108) 10.525 19.579 ( 4.958 3.781 -0.807) 6.288 19.925 ( 1.654 2.418 1.513) 3.297 19.939 ( -4.074 4.110 1.391) 5.952 20.255 ( -5.995 -4.015 2.110) 7.518 21.182 ( 2.693 8.554 -1.967) 9.181 21.450 ( 6.527 3.868 -3.382) 8.307 21.838 ( -4.336 -5.714 3.523) 7.992 22.015 ( -11.313 -6.612 -2.496) 13.339 ======================= Grid point 280 (96/144) ======================= q-point: (-0.50 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.828 ( -0.000 4.480 0.273) 4.489 3.002 ( -0.000 18.732 4.310) 19.221 3.123 ( 0.000 -1.921 0.359) 1.954 3.487 ( -0.000 13.160 3.744) 13.683 4.067 ( 0.000 -1.973 -7.162) 7.429 4.486 ( 0.000 -3.516 8.974) 9.638 4.538 ( -0.000 -6.216 -3.198) 6.990 5.020 ( 0.000 -16.996 3.747) 17.404 5.650 ( -0.000 11.051 -0.854) 11.084 5.684 ( -0.000 11.409 10.018) 15.183 5.850 ( 0.000 4.074 -10.108) 10.898 6.028 ( -0.000 8.475 -1.215) 8.561 6.361 ( 0.000 4.878 -3.114) 5.788 6.546 ( 0.000 5.870 5.389) 7.969 6.717 ( -0.000 0.060 8.713) 8.714 6.761 ( 0.000 1.292 -7.236) 7.350 6.983 ( 0.000 -4.964 -3.560) 6.109 7.031 ( -0.000 3.001 -10.249) 10.679 7.400 ( 0.000 -6.016 3.843) 7.139 7.571 ( -0.000 -2.066 0.321) 2.090 7.638 ( 0.000 -6.733 5.401) 8.631 8.055 ( 0.000 4.423 -1.947) 4.833 8.154 ( 0.000 -12.359 -11.671) 16.999 8.831 ( 0.000 0.146 -5.015) 5.017 8.959 ( -0.000 -7.597 23.263) 24.472 9.254 ( 0.000 6.101 -2.841) 6.730 9.624 ( 0.000 -13.862 3.434) 14.281 9.819 ( 0.000 -8.112 4.341) 9.201 9.888 ( 0.000 0.227 -17.163) 17.164 10.210 ( 0.000 -12.465 -5.161) 13.491 11.008 ( 0.000 2.390 10.028) 10.309 11.092 ( 0.000 1.402 7.653) 7.781 12.247 ( -0.000 25.418 -3.715) 25.688 12.575 ( 0.000 15.606 8.063) 17.566 12.864 ( 0.000 3.874 -4.046) 5.602 12.965 ( 0.000 5.780 -7.246) 9.269 13.896 ( 0.000 -4.693 -8.589) 9.788 14.555 ( 0.000 -1.556 6.995) 7.166 14.759 ( 0.000 -1.163 5.034) 5.167 14.930 ( 0.000 -10.649 0.383) 10.656 15.006 ( 0.000 -13.311 -1.252) 13.370 15.294 ( -0.000 11.854 5.348) 13.005 15.591 ( 0.000 -14.485 -9.070) 17.090 16.411 ( 0.000 0.360 3.643) 3.661 17.008 ( 0.000 -0.260 2.355) 2.369 17.298 ( 0.000 -1.210 -7.545) 7.641 17.360 ( 0.000 7.998 5.488) 9.699 17.528 ( -0.000 4.285 -2.261) 4.845 18.019 ( 0.000 1.497 -3.469) 3.778 18.646 ( 0.000 -10.861 6.262) 12.537 18.706 ( -0.000 -16.358 -4.038) 16.849 19.032 ( 0.000 -11.348 -0.043) 11.348 19.651 ( -0.000 3.880 -0.945) 3.994 19.830 ( 0.000 6.888 1.862) 7.135 20.006 ( 0.000 1.445 0.875) 1.689 20.177 ( -0.000 -5.373 2.847) 6.081 21.210 ( 0.000 8.848 -4.137) 9.767 21.535 ( 0.000 4.669 -1.193) 4.819 21.822 ( -0.000 -6.085 1.268) 6.215 21.856 ( 0.000 -7.692 -0.270) 7.696 ======================= Grid point 286 (97/144) ======================= q-point: ( 0.00 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( 0.000 9.891 -5.896) 11.515 2.146 ( 0.000 6.482 -1.283) 6.608 2.706 ( 0.000 1.268 -6.516) 6.638 2.797 ( 0.000 -1.508 -15.913) 15.984 3.893 ( 0.000 14.186 18.360) 23.202 4.143 ( 0.000 2.518 1.376) 2.869 4.715 ( 0.000 -3.982 13.869) 14.430 4.861 ( 0.000 -9.677 -5.155) 10.964 5.340 ( 0.000 9.015 -6.796) 11.289 5.554 ( 0.000 -3.094 -10.358) 10.810 5.943 ( 0.000 -1.139 11.800) 11.855 6.044 ( 0.000 -6.950 7.123) 9.952 6.369 ( 0.000 11.847 2.869) 12.190 6.738 ( 0.000 12.487 -7.983) 14.821 6.775 ( 0.000 -6.036 -3.937) 7.207 7.108 ( 0.000 -3.195 -13.371) 13.747 7.381 ( 0.000 -1.999 7.039) 7.318 7.684 ( 0.000 -15.108 -5.775) 16.174 7.790 ( 0.000 5.231 7.649) 9.267 7.820 ( 0.000 1.831 8.405) 8.602 8.360 ( 0.000 6.613 2.284) 6.996 8.545 ( 0.000 -1.915 5.141) 5.486 8.743 ( 0.000 0.971 -8.045) 8.104 8.881 ( 0.000 -0.916 -4.317) 4.413 9.251 ( 0.000 5.476 1.160) 5.598 9.364 ( 0.000 2.841 -2.571) 3.831 9.718 ( 0.000 -2.051 4.407) 4.861 9.767 ( 0.000 -3.748 1.330) 3.977 9.963 ( 0.000 -2.010 1.745) 2.662 10.049 ( 0.000 -5.231 -2.211) 5.679 10.661 ( 0.000 2.230 7.757) 8.072 10.885 ( 0.000 -7.133 -2.764) 7.650 12.644 ( 0.000 22.700 0.590) 22.708 12.773 ( 0.000 14.675 -5.374) 15.628 13.093 ( 0.000 7.603 9.775) 12.384 13.149 ( 0.000 -4.772 9.112) 10.286 13.570 ( 0.000 2.188 -10.844) 11.062 13.572 ( 0.000 -12.458 -8.338) 14.991 14.116 ( 0.000 -18.830 3.224) 19.104 14.235 ( 0.000 -16.158 -3.114) 16.455 15.450 ( 0.000 5.743 7.566) 9.499 15.673 ( 0.000 -3.780 -1.886) 4.225 15.949 ( 0.000 1.069 0.039) 1.070 16.044 ( 0.000 -3.204 -3.500) 4.745 16.506 ( 0.000 -1.198 6.977) 7.079 16.549 ( 0.000 -1.497 8.922) 9.047 16.900 ( 0.000 -0.445 -3.359) 3.388 17.108 ( 0.000 -9.864 -9.755) 13.873 18.159 ( 0.000 0.512 2.686) 2.735 18.264 ( 0.000 -4.430 -2.047) 4.880 19.068 ( 0.000 10.984 7.508) 13.304 19.331 ( 0.000 4.432 -2.691) 5.185 19.497 ( 0.000 -4.065 -0.977) 4.180 19.560 ( 0.000 -0.938 -1.839) 2.064 20.460 ( 0.000 -0.461 2.323) 2.368 20.536 ( 0.000 -3.339 -1.040) 3.497 21.174 ( 0.000 8.306 7.922) 11.478 21.325 ( 0.000 1.138 2.497) 2.744 22.356 ( 0.000 -3.145 -7.961) 8.560 22.369 ( 0.000 -3.910 -6.871) 7.906 ======================= Grid point 287 (98/144) ======================= q-point: ( 0.10 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 9.704 10.813 -2.172) 14.690 2.368 ( 20.231 3.723 -2.833) 20.765 2.772 ( 7.424 3.606 -5.572) 9.958 2.956 ( 16.233 -2.799 -15.083) 22.334 3.863 ( -2.790 13.451 16.038) 21.117 4.125 ( -1.883 1.983 1.371) 3.059 4.621 ( -7.701 -2.306 9.490) 12.438 4.867 ( -1.061 -12.104 -3.933) 12.771 5.363 ( 2.839 8.885 -4.056) 10.171 5.591 ( 2.966 -2.524 -9.250) 10.036 5.962 ( 2.199 -1.066 10.710) 10.986 6.062 ( 1.610 -5.046 8.739) 10.219 6.376 ( 0.822 12.015 2.288) 12.258 6.721 ( -1.615 12.914 -7.414) 14.979 6.796 ( 1.712 -6.305 -3.350) 7.343 7.089 ( -1.922 -3.461 -11.946) 12.585 7.266 ( -10.569 -1.765 1.726) 10.854 7.375 ( -19.587 -2.701 -0.600) 19.782 7.832 ( 0.100 -0.154 11.751) 11.752 7.981 ( 4.650 -4.699 5.506) 8.603 8.240 ( -6.454 4.703 -3.728) 8.813 8.442 ( -6.115 -3.710 -4.025) 8.207 8.803 ( 3.376 5.553 2.949) 7.136 9.050 ( 11.122 -1.501 0.326) 11.228 9.155 ( -10.407 5.081 -1.795) 11.719 9.280 ( -6.820 1.906 -1.562) 7.252 9.599 ( -8.621 -1.229 3.850) 9.521 9.736 ( -3.598 -7.011 0.084) 7.881 9.941 ( -2.069 -1.384 0.734) 2.595 10.053 ( -0.353 -5.775 -1.884) 6.085 10.728 ( 6.033 2.229 7.421) 9.820 10.926 ( 3.617 -6.065 -1.649) 7.252 12.660 ( 1.353 22.692 0.641) 22.742 12.786 ( 1.190 14.690 -4.941) 15.544 12.983 ( -5.009 1.798 8.668) 10.172 13.292 ( 5.426 -3.359 1.875) 6.651 13.379 ( -5.559 -2.245 -6.694) 8.987 13.785 ( 11.626 -5.918 -6.219) 14.452 14.161 ( 4.850 -17.251 2.459) 18.088 14.321 ( 7.405 -14.566 -2.125) 16.478 15.335 ( -9.394 5.568 6.299) 12.607 15.574 ( -7.792 -4.654 -3.745) 9.818 16.014 ( 2.082 2.632 2.890) 4.428 16.142 ( 7.665 -1.669 -1.069) 7.917 16.592 ( 9.076 -2.879 5.852) 11.176 16.605 ( 7.258 -2.949 6.491) 10.174 16.919 ( 2.231 0.200 -3.145) 3.861 17.117 ( 1.097 -8.940 -9.123) 12.820 18.201 ( 3.968 0.463 2.361) 4.640 18.306 ( 4.162 -4.658 -1.814) 6.504 18.975 ( -9.090 11.222 6.281) 15.749 19.288 ( -5.304 0.678 -0.037) 5.347 19.475 ( -0.180 -0.055 -3.187) 3.192 19.608 ( 3.580 -2.132 -0.798) 4.243 20.426 ( -3.523 0.042 2.439) 4.286 20.504 ( -3.285 -3.156 -0.734) 4.614 21.182 ( 0.830 7.773 7.127) 10.578 21.328 ( 0.385 0.953 1.899) 2.159 22.261 ( -7.256 -1.072 -6.500) 9.801 22.367 ( -2.606 -5.717 -7.040) 9.436 ======================= Grid point 288 (99/144) ======================= q-point: ( 0.20 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.422 ( 12.405 10.354 0.881) 16.182 2.716 ( 12.200 -2.791 -5.378) 13.622 3.065 ( 22.893 10.419 1.898) 25.224 3.366 ( 23.869 -2.046 -11.434) 26.546 3.809 ( -1.668 10.575 8.358) 13.582 4.084 ( -1.441 0.459 0.552) 1.610 4.466 ( -7.730 -1.064 5.786) 9.714 4.810 ( -4.372 -14.612 -3.798) 15.717 5.449 ( 5.649 8.149 -0.939) 9.960 5.644 ( 2.781 -1.011 -6.293) 6.954 6.030 ( 4.414 -0.367 9.553) 10.530 6.095 ( 1.468 -0.671 11.232) 11.347 6.407 ( 2.470 12.092 0.716) 12.362 6.684 ( -2.040 12.316 -6.271) 13.970 6.798 ( -3.776 -4.542 -1.713) 6.150 6.999 ( -15.749 0.211 -1.309) 15.805 7.032 ( -4.924 -3.590 -9.962) 11.678 7.074 ( -7.819 -4.219 -4.550) 9.982 7.733 ( -10.203 1.671 9.631) 14.130 7.920 ( -5.959 -2.278 4.179) 7.626 8.224 ( 1.234 -2.535 1.117) 3.032 8.395 ( -0.870 -6.266 -8.926) 10.940 8.735 ( -10.486 9.013 4.920) 14.677 8.842 ( -20.501 5.372 -1.536) 21.249 9.144 ( 0.574 1.616 6.840) 7.052 9.285 ( 3.991 -6.785 -1.178) 7.960 9.450 ( -6.124 -1.679 2.316) 6.759 9.670 ( -1.945 -9.461 -0.131) 9.659 9.898 ( -2.042 -0.621 -2.503) 3.290 10.030 ( -1.662 -5.615 -3.763) 6.960 10.856 ( 6.781 2.207 7.740) 10.524 10.998 ( 3.383 -3.866 1.424) 5.331 12.682 ( 0.734 22.464 -0.028) 22.476 12.810 ( 1.140 12.022 0.023) 12.076 12.941 ( 0.548 2.059 1.348) 2.522 13.177 ( -7.293 -3.680 -7.231) 10.909 13.522 ( 10.242 -0.234 -2.628) 10.577 14.020 ( 12.763 -6.966 -1.489) 14.617 14.286 ( 7.462 -14.758 2.324) 16.699 14.470 ( 7.434 -12.096 -1.197) 14.248 15.153 ( -8.886 6.010 4.382) 11.588 15.432 ( -6.548 -5.745 -5.395) 10.247 15.964 ( -6.046 5.182 5.134) 9.474 16.259 ( 3.403 -4.190 3.477) 6.421 16.757 ( 10.125 -0.753 5.028) 11.330 16.897 ( 17.572 -6.115 -1.418) 18.659 16.997 ( 6.335 1.308 -1.266) 6.592 17.161 ( 4.333 -6.507 -7.106) 10.565 18.289 ( 4.610 1.308 1.682) 5.079 18.405 ( 5.541 -5.101 -1.337) 7.649 18.746 ( -13.988 10.315 4.669) 17.996 19.131 ( -10.293 -4.906 1.047) 11.451 19.504 ( 2.866 3.578 -2.904) 5.427 19.687 ( 4.714 -2.631 0.087) 5.399 20.330 ( -6.242 1.458 2.465) 6.867 20.419 ( -5.342 -2.965 0.056) 6.110 21.209 ( 2.044 6.604 5.263) 8.688 21.343 ( 1.314 0.589 0.456) 1.510 22.098 ( -9.337 0.418 -4.397) 10.329 22.268 ( -7.502 -6.821 -5.986) 11.775 ======================= Grid point 289 (100/144) ======================= q-point: ( 0.30 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.654 ( 11.235 7.497 1.313) 13.571 2.891 ( 7.396 -2.631 -3.301) 8.516 3.406 ( 7.579 15.724 12.169) 21.279 3.687 ( 5.962 6.220 -0.305) 8.621 3.914 ( 13.259 2.460 -6.978) 15.184 4.146 ( 9.793 -4.292 -5.419) 11.987 4.355 ( -2.838 -2.035 5.247) 6.303 4.720 ( -4.409 -16.461 -2.627) 17.243 5.564 ( 6.460 8.988 1.341) 11.149 5.723 ( 5.724 0.396 -5.285) 7.801 6.085 ( -0.981 1.722 8.654) 8.878 6.105 ( 0.431 2.432 11.022) 11.296 6.471 ( 4.254 11.357 -1.113) 12.179 6.626 ( -4.539 9.061 -6.308) 11.937 6.657 ( -5.779 0.630 -1.463) 5.994 6.798 ( -3.821 0.533 0.695) 3.920 6.959 ( -3.462 -4.485 -4.662) 7.338 7.014 ( -0.165 -6.062 -8.340) 10.311 7.527 ( -9.829 3.984 2.053) 10.802 7.813 ( -5.200 -4.874 2.120) 7.436 8.162 ( -12.161 -2.983 6.218) 13.980 8.263 ( -14.636 -3.356 -3.047) 15.322 8.449 ( -15.780 6.451 -2.126) 17.180 8.581 ( -2.353 -0.887 -4.749) 5.373 9.131 ( -3.979 -2.617 10.938) 11.930 9.264 ( -2.484 -8.077 4.365) 9.511 9.402 ( -0.059 -0.681 -1.368) 1.529 9.679 ( 1.400 -8.628 3.540) 9.431 9.875 ( -0.131 0.411 -9.333) 9.343 10.006 ( -0.573 -5.456 -5.592) 7.834 10.974 ( 5.206 1.568 9.099) 10.600 11.046 ( 1.702 -1.583 5.345) 5.829 12.693 ( 0.751 20.658 -0.151) 20.672 12.835 ( 1.404 10.693 3.984) 11.497 12.969 ( 1.283 4.333 -5.363) 7.013 13.079 ( -2.708 -0.695 -5.486) 6.157 13.699 ( 7.799 0.944 -6.901) 10.456 14.259 ( 11.581 -8.336 1.649) 14.364 14.423 ( 6.354 -13.742 1.918) 15.261 14.594 ( 5.355 -10.371 -0.001) 11.671 15.008 ( -5.968 6.401 1.830) 8.941 15.332 ( -3.744 -7.170 -6.468) 10.357 15.822 ( -8.157 7.752 6.097) 12.799 16.287 ( 0.250 -8.454 6.844) 10.881 16.923 ( 6.528 2.280 -0.782) 6.958 17.116 ( 5.759 -4.584 -5.803) 9.373 17.200 ( 12.905 1.584 1.525) 13.092 17.346 ( 13.924 -4.339 -2.480) 14.794 18.340 ( -2.105 10.202 1.325) 10.501 18.468 ( -4.502 1.111 1.668) 4.928 18.514 ( -1.989 -6.478 -0.086) 6.777 18.927 ( -9.869 -9.768 1.045) 13.925 19.578 ( 4.692 5.140 -1.592) 7.140 19.790 ( 5.917 -2.915 1.135) 6.693 20.196 ( -7.546 3.268 2.356) 8.554 20.305 ( -6.395 -2.995 0.905) 7.120 21.261 ( 3.386 5.742 2.779) 7.222 21.387 ( 3.553 0.151 -1.017) 3.699 21.917 ( -9.229 0.301 -1.874) 9.422 22.092 ( -10.462 -6.838 -4.728) 13.363 ======================= Grid point 290 (101/144) ======================= q-point: ( 0.40 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.832 ( 6.871 4.469 0.707) 8.227 3.009 ( 4.656 -3.160 -0.659) 5.665 3.424 ( -2.062 17.976 9.920) 20.635 3.724 ( 0.217 8.240 6.026) 10.211 4.084 ( 3.375 4.555 -8.810) 10.476 4.344 ( 6.647 -6.816 -5.756) 11.125 4.375 ( 3.272 -4.222 6.423) 8.354 4.666 ( -0.894 -16.864 -1.702) 16.973 5.709 ( 8.074 8.980 1.327) 12.149 5.832 ( 4.707 3.321 -4.410) 7.254 6.002 ( -5.097 3.092 3.189) 6.761 6.126 ( 1.200 1.220 4.507) 4.821 6.526 ( 0.242 9.448 1.472) 9.565 6.626 ( 5.316 9.224 -1.248) 10.719 6.662 ( 7.417 4.143 2.185) 8.772 6.816 ( 3.535 -1.358 0.273) 3.797 6.852 ( -7.217 -1.687 -0.754) 7.449 7.052 ( 3.647 -3.932 -8.750) 10.262 7.380 ( -5.422 2.335 -1.512) 6.094 7.688 ( -9.957 -3.091 0.046) 10.426 7.774 ( -23.645 -3.770 0.518) 23.949 7.958 ( -11.001 -8.635 -7.949) 16.086 8.258 ( -6.755 6.190 -0.917) 9.208 8.626 ( 5.072 -7.456 5.628) 10.630 8.986 ( -8.854 -3.111 5.532) 10.894 9.277 ( 2.243 -11.314 3.864) 12.164 9.403 ( -0.166 3.243 0.487) 3.284 9.682 ( -0.845 -7.405 5.486) 9.254 9.889 ( 1.095 0.876 -13.108) 13.183 10.008 ( 0.610 -6.082 -5.969) 8.543 11.040 ( 1.287 1.098 10.728) 10.861 11.077 ( 1.917 -0.294 8.195) 8.422 12.716 ( 1.492 19.936 0.702) 20.004 12.850 ( 0.002 11.225 4.557) 12.115 12.978 ( 0.227 5.403 -7.059) 8.892 13.063 ( 0.227 1.915 -5.510) 5.837 13.813 ( 3.991 2.077 -8.849) 9.927 14.442 ( 6.997 -8.929 3.273) 11.807 14.513 ( 2.730 -13.489 1.942) 13.899 14.676 ( 3.207 -9.810 0.853) 10.356 14.930 ( -2.248 5.373 -1.413) 5.993 15.292 ( -0.441 -10.061 -7.186) 12.372 15.670 ( -6.996 12.296 7.256) 15.900 16.286 ( -0.092 -11.333 8.692) 14.283 17.019 ( 3.689 4.049 -2.598) 6.063 17.211 ( 4.428 -3.173 -6.720) 8.651 17.416 ( 8.618 4.502 3.408) 10.303 17.566 ( 7.298 -0.901 -1.538) 7.513 18.178 ( -8.631 11.289 -0.522) 14.220 18.443 ( 0.375 -4.870 1.565) 5.129 18.505 ( -2.088 -7.517 -1.719) 7.989 18.799 ( -3.041 -12.786 1.499) 13.228 19.677 ( 5.249 5.654 -0.690) 7.746 19.911 ( 6.638 -3.136 1.886) 7.580 20.053 ( -6.897 4.892 2.492) 8.816 20.176 ( -6.934 -3.002 1.562) 7.716 21.332 ( 3.631 6.251 -0.628) 7.256 21.486 ( 6.730 -0.377 -1.713) 6.955 21.758 ( -6.816 -1.602 0.726) 7.039 21.882 ( -10.977 -6.165 -3.482) 13.063 ======================= Grid point 291 (102/144) ======================= q-point: (-0.50 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.901 ( 0.000 3.153 0.273) 3.164 3.057 ( -0.000 -4.166 0.604) 4.210 3.397 ( 0.000 19.139 7.601) 20.593 3.725 ( -0.000 8.416 7.817) 11.486 4.107 ( 0.000 5.221 -8.541) 10.010 4.401 ( 0.000 -7.272 -5.048) 8.852 4.403 ( -0.000 -3.976 8.352) 9.250 4.663 ( 0.000 -16.490 -1.409) 16.550 5.795 ( 0.000 4.874 -3.801) 6.181 5.915 ( -0.000 10.565 8.526) 13.576 5.923 ( 0.000 0.649 -7.408) 7.437 6.139 ( -0.000 1.536 0.806) 1.735 6.557 ( 0.000 12.093 -0.043) 12.093 6.675 ( -0.000 6.001 6.359) 8.744 6.715 ( 0.000 -0.267 6.361) 6.366 6.812 ( 0.000 2.144 -0.644) 2.239 6.926 ( 0.000 1.828 -4.445) 4.806 7.096 ( 0.000 4.476 -2.603) 5.177 7.330 ( 0.000 -1.190 -4.420) 4.577 7.448 ( -0.000 -10.620 -3.218) 11.097 7.534 ( 0.000 -2.280 -1.714) 2.852 7.880 ( 0.000 -13.883 -12.652) 18.783 8.186 ( 0.000 8.540 1.397) 8.654 8.706 ( 0.000 -15.202 16.792) 22.651 8.869 ( 0.000 3.999 -3.222) 5.135 9.305 ( 0.000 -16.196 1.303) 16.248 9.398 ( 0.000 7.277 2.500) 7.695 9.670 ( 0.000 -6.661 4.629) 8.111 9.901 ( 0.000 0.964 -12.539) 12.576 10.016 ( 0.000 -6.491 -6.328) 9.065 11.047 ( 0.000 1.617 11.442) 11.555 11.100 ( 0.000 -0.557 9.180) 9.197 12.735 ( -0.000 20.036 1.010) 20.062 12.845 ( 0.000 11.289 4.938) 12.322 12.983 ( 0.000 6.334 -7.521) 9.833 13.067 ( 0.000 2.506 -5.733) 6.257 13.851 ( 0.000 2.430 -9.397) 9.706 14.519 ( 0.000 -0.970 3.812) 3.934 14.527 ( -0.000 -20.683 2.483) 20.832 14.709 ( 0.000 -9.963 0.874) 10.001 14.911 ( 0.000 3.852 -3.262) 5.048 15.296 ( 0.000 -13.725 -7.998) 15.886 15.592 ( 0.000 17.001 8.548) 19.029 16.285 ( 0.000 -12.376 9.359) 15.516 17.057 ( 0.000 4.865 -2.995) 5.713 17.263 ( 0.000 -2.975 -7.072) 7.672 17.502 ( 0.000 6.251 4.233) 7.550 17.626 ( -0.000 3.349 -0.055) 3.349 18.095 ( 0.000 5.993 -2.844) 6.634 18.438 ( 0.000 -10.545 -3.643) 11.156 18.481 ( -0.000 -3.248 3.048) 4.454 18.779 ( -0.000 -12.827 1.636) 12.931 19.743 ( -0.000 5.421 -0.757) 5.474 19.970 ( 0.000 5.863 2.964) 6.569 20.038 ( 0.000 -7.872 1.694) 8.052 20.046 ( -0.000 1.650 2.258) 2.797 21.375 ( 0.000 7.593 -3.190) 8.236 21.601 ( -0.000 2.356 -0.551) 2.420 21.693 ( -0.000 -8.140 -1.548) 8.286 21.716 ( 0.000 -4.214 0.055) 4.214 ======================= Grid point 297 (103/144) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( 0.000 -0.816 -9.267) 9.303 2.211 ( 0.000 0.816 -9.267) 9.303 2.745 ( 0.000 -2.721 -6.544) 7.087 2.745 ( 0.000 2.721 -6.544) 7.087 4.113 ( 0.000 -6.528 7.100) 9.645 4.113 ( 0.000 6.528 7.100) 9.645 4.711 ( 0.000 -4.154 6.132) 7.406 4.711 ( 0.000 4.154 6.132) 7.406 5.477 ( 0.000 -4.613 -7.357) 8.684 5.477 ( 0.000 4.613 -7.357) 8.684 5.951 ( 0.000 -2.055 7.805) 8.071 5.951 ( 0.000 2.055 7.805) 8.071 6.601 ( 0.000 -10.218 1.731) 10.364 6.601 ( 0.000 10.218 1.731) 10.364 6.977 ( 0.000 -9.487 -10.951) 14.489 6.977 ( 0.000 9.487 -10.951) 14.489 7.435 ( 0.000 -7.874 0.471) 7.888 7.435 ( 0.000 7.874 0.471) 7.888 7.843 ( 0.000 -0.217 8.286) 8.289 7.843 ( 0.000 0.217 8.286) 8.289 8.480 ( 0.000 -4.758 0.807) 4.826 8.480 ( 0.000 4.758 0.807) 4.826 8.804 ( 0.000 -4.677 -4.995) 6.843 8.804 ( 0.000 4.677 -4.995) 6.843 9.358 ( 0.000 -3.432 0.583) 3.481 9.358 ( 0.000 3.432 0.583) 3.481 9.713 ( 0.000 -1.328 2.993) 3.275 9.713 ( 0.000 1.328 2.993) 3.275 9.970 ( 0.000 -2.342 -0.559) 2.407 9.970 ( 0.000 2.342 -0.559) 2.407 10.749 ( 0.000 -5.973 1.694) 6.208 10.749 ( 0.000 5.973 1.694) 6.208 12.941 ( 0.000 -0.768 0.022) 0.768 12.941 ( 0.000 0.768 0.022) 0.768 13.174 ( 0.000 -10.580 1.941) 10.756 13.174 ( 0.000 10.580 1.941) 10.756 13.441 ( 0.000 -10.758 1.382) 10.847 13.441 ( 0.000 10.758 1.382) 10.847 13.992 ( 0.000 -6.246 -6.529) 9.036 13.992 ( 0.000 6.246 -6.529) 9.036 15.571 ( 0.000 -5.816 3.452) 6.763 15.571 ( 0.000 5.816 3.452) 6.763 15.988 ( 0.000 -2.400 -2.905) 3.769 15.988 ( 0.000 2.400 -2.905) 3.769 16.513 ( 0.000 -1.591 8.782) 8.925 16.513 ( 0.000 1.591 8.782) 8.925 16.950 ( 0.000 -5.345 -6.748) 8.608 16.950 ( 0.000 5.345 -6.748) 8.608 18.189 ( 0.000 -2.607 0.535) 2.661 18.189 ( 0.000 2.607 0.535) 2.661 19.278 ( 0.000 -8.641 5.563) 10.277 19.278 ( 0.000 8.641 5.563) 10.277 19.507 ( 0.000 -3.718 -4.536) 5.865 19.507 ( 0.000 3.718 -4.536) 5.865 20.477 ( 0.000 -2.082 0.249) 2.097 20.477 ( 0.000 2.082 0.249) 2.097 21.296 ( 0.000 -3.747 6.490) 7.494 21.296 ( 0.000 3.747 6.490) 7.494 22.327 ( 0.000 -0.269 -8.342) 8.347 22.327 ( 0.000 0.269 -8.342) 8.347 ======================= Grid point 299 (104/144) ======================= q-point: ( 0.10 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( 13.118 -4.426 -6.088) 15.124 2.362 ( 13.118 4.426 -6.088) 15.124 2.865 ( 13.316 -5.257 -7.515) 16.168 2.865 ( 13.316 5.257 -7.515) 16.168 4.083 ( -2.985 -6.992 7.166) 10.447 4.083 ( -2.985 6.992 7.166) 10.447 4.663 ( -4.710 -6.753 3.398) 8.907 4.663 ( -4.710 6.753 3.398) 8.907 5.509 ( 3.081 -5.431 -5.574) 8.370 5.509 ( 3.081 5.431 -5.574) 8.370 5.979 ( 2.884 -2.593 7.910) 8.809 5.979 ( 2.884 2.593 7.910) 8.809 6.616 ( 1.380 -10.640 1.631) 10.852 6.616 ( 1.380 10.640 1.631) 10.852 6.960 ( -1.772 -9.238 -9.785) 13.573 6.960 ( -1.772 9.238 -9.785) 13.573 7.287 ( -12.986 -3.915 -0.790) 13.587 7.287 ( -12.986 3.915 -0.790) 13.587 7.884 ( 1.243 -4.367 10.819) 11.733 7.884 ( 1.243 4.367 10.819) 11.733 8.348 ( -8.164 -5.318 -5.893) 11.387 8.348 ( -8.164 5.318 -5.893) 11.387 8.934 ( 7.567 -6.904 1.016) 10.294 8.934 ( 7.567 6.904 1.016) 10.294 9.269 ( -8.356 -3.430 -0.103) 9.033 9.269 ( -8.356 3.430 -0.103) 9.033 9.625 ( -7.385 -3.661 1.885) 8.456 9.625 ( -7.385 3.661 1.885) 8.456 9.961 ( -1.040 -3.013 -0.767) 3.279 9.961 ( -1.040 3.013 -0.767) 3.279 10.808 ( 5.334 -5.247 2.291) 7.825 10.808 ( 5.334 5.247 2.291) 7.825 12.941 ( 0.238 -1.117 0.384) 1.205 12.941 ( 0.238 1.117 0.384) 1.205 13.122 ( -4.835 -13.317 -0.289) 14.171 13.122 ( -4.835 13.317 -0.289) 14.171 13.507 ( 7.157 -15.890 0.890) 17.450 13.507 ( 7.157 15.890 0.890) 17.450 14.090 ( 8.616 -6.995 -4.704) 12.054 14.090 ( 8.616 6.995 -4.704) 12.054 15.457 ( -8.884 -6.225 1.648) 10.972 15.457 ( -8.884 6.225 1.648) 10.972 16.088 ( 5.866 -3.630 0.249) 6.903 16.088 ( 5.866 3.630 0.249) 6.903 16.565 ( 6.886 -0.559 6.504) 9.488 16.565 ( 6.886 0.559 6.504) 9.488 16.974 ( 2.522 -5.018 -6.058) 8.261 16.974 ( 2.522 5.018 -6.058) 8.261 18.229 ( 3.895 -2.594 0.537) 4.710 18.229 ( 3.895 2.594 0.537) 4.710 19.190 ( -8.524 -8.924 4.369) 13.091 19.190 ( -8.524 8.924 4.369) 13.091 19.537 ( 2.669 -4.462 -3.261) 6.137 19.537 ( 2.669 4.462 -3.261) 6.137 20.447 ( -3.064 -2.069 0.481) 3.728 20.447 ( -3.064 2.069 0.481) 3.728 21.299 ( 0.280 -3.683 5.774) 6.855 21.299 ( 0.280 3.683 5.774) 6.855 22.280 ( -4.817 -2.736 -7.731) 9.511 22.280 ( -4.817 2.736 -7.731) 9.511 ======================= Grid point 301 (105/144) ======================= q-point: ( 0.20 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.606 ( 11.289 -7.558 -1.567) 13.676 2.606 ( 11.289 7.558 -1.567) 13.676 3.257 ( 25.256 -7.959 -6.165) 27.188 3.257 ( 25.256 7.959 -6.165) 27.188 4.015 ( -3.323 -7.816 5.597) 10.172 4.015 ( -3.323 7.816 5.597) 10.172 4.549 ( -6.595 -9.433 -0.873) 11.543 4.549 ( -6.595 9.433 -0.873) 11.543 5.585 ( 4.754 -4.895 -3.045) 7.472 5.585 ( 4.754 4.895 -3.045) 7.472 6.054 ( 4.416 -2.354 8.929) 10.236 6.054 ( 4.416 2.354 8.929) 10.236 6.640 ( 0.521 -9.763 0.913) 9.819 6.640 ( 0.521 9.763 0.913) 9.819 6.907 ( -3.880 -7.867 -7.238) 11.372 6.907 ( -3.880 7.867 -7.238) 11.372 7.021 ( -12.425 -1.231 -2.566) 12.747 7.021 ( -12.425 1.231 -2.566) 12.747 7.817 ( -7.368 -6.160 8.184) 12.618 7.817 ( -7.368 6.160 8.184) 12.618 8.266 ( -1.434 -5.507 -5.639) 8.011 8.266 ( -1.434 5.507 -5.639) 8.011 8.865 ( -15.639 -3.212 1.717) 16.057 8.865 ( -15.639 3.212 1.717) 16.057 9.180 ( -0.540 -2.846 2.287) 3.691 9.180 ( -0.540 2.846 2.287) 3.691 9.504 ( -3.417 -6.325 1.390) 7.322 9.504 ( -3.417 6.325 1.390) 7.322 9.934 ( -1.441 -3.582 -3.435) 5.168 9.934 ( -1.441 3.582 -3.435) 5.168 10.919 ( 5.616 -3.704 4.414) 8.046 10.919 ( 5.616 3.704 4.414) 8.046 12.953 ( 0.797 -2.273 0.842) 2.552 12.953 ( 0.797 2.273 0.842) 2.552 13.035 ( -3.129 -11.144 -2.875) 11.927 13.035 ( -3.129 11.144 -2.875) 11.927 13.691 ( 10.997 -17.073 -0.782) 20.323 13.691 ( 10.997 17.073 -0.782) 20.323 14.267 ( 8.957 -7.084 -2.075) 11.607 14.267 ( 8.957 7.084 -2.075) 11.607 15.291 ( -7.937 -7.277 -0.371) 10.774 15.291 ( -7.937 7.277 -0.371) 10.774 16.118 ( -2.076 -8.577 4.948) 10.117 16.118 ( -2.076 8.577 4.948) 10.117 16.790 ( 14.331 -3.834 1.011) 14.870 16.790 ( 14.331 3.834 1.011) 14.870 17.055 ( 6.621 -4.073 -3.888) 8.692 17.055 ( 6.621 4.073 -3.888) 8.692 18.321 ( 5.169 -2.681 0.539) 5.848 18.321 ( 5.169 2.681 0.539) 5.848 18.972 ( -13.664 -10.256 2.958) 17.339 18.972 ( -13.664 10.256 2.958) 17.339 19.602 ( 4.146 -5.223 -1.693) 6.880 19.602 ( 4.146 5.223 -1.693) 6.880 20.365 ( -5.275 -2.154 1.000) 5.784 20.365 ( -5.275 2.154 1.000) 5.784 21.312 ( 1.264 -3.447 4.052) 5.468 21.312 ( 1.264 3.447 4.052) 5.468 22.151 ( -8.375 -4.435 -6.228) 11.340 22.151 ( -8.375 4.435 -6.228) 11.340 ======================= Grid point 303 (106/144) ======================= q-point: ( 0.30 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.795 ( 8.409 -6.229 0.031) 10.465 2.795 ( 8.409 6.229 0.031) 10.465 3.668 ( 11.937 -8.465 6.441) 15.989 3.668 ( 11.937 8.465 6.441) 15.989 4.025 ( 7.471 -7.521 -5.102) 11.765 4.025 ( 7.471 7.521 -5.102) 11.765 4.433 ( -4.824 -10.111 -2.370) 11.451 4.433 ( -4.824 10.111 -2.370) 11.451 5.696 ( 6.996 -3.711 -2.277) 8.240 5.696 ( 6.996 3.711 -2.277) 8.240 6.111 ( 0.365 -1.144 9.915) 9.987 6.111 ( 0.365 1.144 9.915) 9.987 6.611 ( -2.184 -3.145 -1.881) 4.266 6.611 ( -2.184 3.145 -1.881) 4.266 6.836 ( -0.997 -6.434 -3.304) 7.301 6.836 ( -0.997 6.434 -3.304) 7.301 6.883 ( -3.382 -3.818 -2.223) 5.564 6.883 ( -3.382 3.818 -2.223) 5.564 7.666 ( -7.513 -8.715 0.154) 11.507 7.666 ( -7.513 8.715 0.154) 11.507 8.171 ( -12.639 -3.997 0.562) 13.268 8.171 ( -12.639 3.997 0.562) 13.268 8.549 ( -12.265 -3.075 -1.883) 12.784 8.549 ( -12.265 3.075 -1.883) 12.784 9.118 ( -4.958 -3.376 4.189) 7.316 9.118 ( -4.958 3.376 4.189) 7.316 9.507 ( 2.015 -7.799 3.347) 8.723 9.507 ( 2.015 7.799 3.347) 8.723 9.917 ( -0.230 -3.308 -7.169) 7.899 9.917 ( -0.230 3.308 -7.169) 7.899 11.010 ( 3.727 -1.863 7.441) 8.528 11.010 ( 3.727 1.863 7.441) 8.528 12.966 ( 0.771 -6.056 -1.039) 6.192 12.966 ( 0.771 6.056 -1.039) 6.192 13.014 ( 0.391 -6.311 -2.006) 6.634 13.014 ( 0.391 6.311 -2.006) 6.634 13.894 ( 9.482 -18.002 -2.884) 20.550 13.894 ( 9.482 18.002 -2.884) 20.550 14.417 ( 6.606 -6.160 0.035) 9.033 14.417 ( 6.606 6.160 0.035) 9.033 15.161 ( -5.518 -8.433 -2.457) 10.373 15.161 ( -5.518 8.433 -2.457) 10.373 16.053 ( -3.948 -13.003 7.541) 15.541 16.053 ( -3.948 13.003 7.541) 15.541 17.006 ( 7.660 -5.304 -4.170) 10.208 17.006 ( 7.660 5.304 -4.170) 10.208 17.263 ( 14.124 -3.790 0.083) 14.624 17.263 ( 14.124 3.790 0.083) 14.624 18.406 ( 2.825 -2.439 0.547) 3.773 18.406 ( 2.825 2.439 0.547) 3.773 18.695 ( -13.994 -12.808 1.509) 19.030 18.695 ( -13.994 12.808 1.509) 19.030 19.695 ( 5.425 -5.829 -0.294) 7.969 19.695 ( 5.425 5.829 -0.294) 7.969 20.252 ( -6.413 -2.448 1.584) 7.045 20.252 ( -6.413 2.448 1.584) 7.045 21.353 ( 3.219 -3.256 1.996) 4.995 21.353 ( 3.219 3.256 1.996) 4.995 21.971 ( -10.016 -4.668 -4.424) 11.903 21.971 ( -10.016 4.668 -4.424) 11.903 ======================= Grid point 305 (107/144) ======================= q-point: ( 0.40 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.924 ( 4.830 -4.577 0.441) 6.668 2.924 ( 4.830 4.577 0.441) 6.668 3.731 ( -0.553 -9.304 11.587) 14.870 3.731 ( -0.553 9.304 11.587) 14.870 4.203 ( 5.733 -6.723 -8.786) 12.460 4.203 ( 5.733 6.723 -8.786) 12.460 4.394 ( 0.866 -8.090 -0.519) 8.153 4.394 ( 0.866 8.090 -0.519) 8.153 5.834 ( 5.853 -3.458 -3.915) 7.845 5.834 ( 5.853 3.458 -3.915) 7.845 6.082 ( -1.156 -4.421 6.244) 7.738 6.082 ( -1.156 4.421 6.244) 7.738 6.638 ( 4.210 -2.185 3.070) 5.650 6.638 ( 4.210 2.185 3.070) 5.650 6.811 ( -2.336 -1.448 2.422) 3.663 6.811 ( -2.336 1.448 2.422) 3.663 6.917 ( 7.851 -10.559 -5.852) 14.401 6.917 ( 7.851 10.559 -5.852) 14.401 7.523 ( -9.338 -10.658 -4.096) 14.750 7.523 ( -9.338 10.658 -4.096) 14.750 7.798 ( -20.053 -5.981 -4.508) 21.406 7.798 ( -20.053 5.981 -4.508) 21.406 8.431 ( -2.627 -10.058 4.947) 11.513 8.431 ( -2.627 10.058 4.947) 11.513 9.041 ( -2.604 -8.250 0.776) 8.686 9.041 ( -2.604 8.250 0.776) 8.686 9.535 ( 0.631 -7.133 4.880) 8.665 9.535 ( 0.631 7.133 4.880) 8.665 9.923 ( 0.668 -2.627 -8.741) 9.151 9.923 ( 0.668 2.627 -8.741) 9.151 11.062 ( 1.712 -1.030 9.793) 9.995 11.062 ( 1.712 1.030 9.793) 9.995 12.988 ( 1.311 -6.467 -2.517) 7.063 12.988 ( 1.311 6.467 -2.517) 7.063 13.026 ( 0.491 -5.228 -0.811) 5.313 13.026 ( 0.491 5.228 -0.811) 5.313 14.036 ( 5.052 -19.207 -4.364) 20.334 14.036 ( 5.052 19.207 -4.364) 20.334 14.517 ( 3.680 -5.148 1.336) 6.468 14.517 ( 3.680 5.148 1.336) 6.468 15.081 ( -2.788 -9.292 -4.347) 10.631 15.081 ( -2.788 9.292 -4.347) 10.631 15.986 ( -2.644 -16.618 9.398) 19.274 15.986 ( -2.644 16.618 9.398) 19.274 17.122 ( 4.704 -5.228 -5.328) 8.823 17.122 ( 4.704 5.228 -5.328) 8.823 17.510 ( 10.124 -4.170 1.342) 11.031 17.510 ( 10.124 4.170 1.342) 11.031 18.352 ( -8.489 -4.940 -1.132) 9.887 18.352 ( -8.489 4.940 -1.132) 9.887 18.542 ( -0.823 -10.932 1.449) 11.058 18.542 ( -0.823 10.932 1.449) 11.058 19.804 ( 5.617 -6.470 0.486) 8.582 19.804 ( 5.617 6.470 0.486) 8.582 20.127 ( -6.213 -2.546 2.289) 7.094 20.127 ( -6.213 2.546 2.289) 7.094 21.438 ( 5.535 -4.064 -0.125) 6.868 21.438 ( 5.535 4.064 -0.125) 6.868 21.780 ( -9.546 -3.449 -2.552) 10.466 21.780 ( -9.546 3.449 -2.552) 10.466 ======================= Grid point 307 (108/144) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.971 ( 0.000 -3.923 0.439) 3.947 2.971 ( 0.000 3.923 0.439) 3.947 3.721 ( 0.000 -10.140 10.981) 14.947 3.721 ( 0.000 10.140 10.981) 14.947 4.246 ( 0.000 -7.663 -7.355) 10.622 4.246 ( 0.000 7.663 -7.355) 10.622 4.411 ( 0.000 -6.847 0.712) 6.884 4.411 ( 0.000 6.847 0.712) 6.884 5.882 ( 0.000 -3.669 -5.557) 6.659 5.882 ( 0.000 3.669 -5.557) 6.659 6.089 ( 0.000 -6.002 4.962) 7.787 6.089 ( 0.000 6.002 4.962) 7.787 6.693 ( 0.000 -2.290 3.139) 3.886 6.693 ( 0.000 2.290 3.139) 3.886 6.782 ( 0.000 -4.345 6.384) 7.722 6.782 ( 0.000 4.345 6.384) 7.722 7.151 ( 0.000 -16.834 -5.083) 17.585 7.151 ( 0.000 16.834 -5.083) 17.585 7.243 ( -0.000 -7.818 -3.961) 8.765 7.243 ( -0.000 7.818 -3.961) 8.765 7.622 ( 0.000 -10.244 -10.390) 14.590 7.622 ( -0.000 10.244 -10.390) 14.590 8.407 ( 0.000 -13.160 8.394) 15.609 8.407 ( 0.000 13.160 8.394) 15.609 9.018 ( 0.000 -10.993 -1.104) 11.049 9.018 ( 0.000 10.993 -1.104) 11.049 9.539 ( 0.000 -6.478 4.893) 8.118 9.539 ( 0.000 6.478 4.893) 8.118 9.932 ( 0.000 -2.355 -8.715) 9.028 9.932 ( 0.000 2.355 -8.715) 9.028 11.078 ( 0.000 -1.391 10.622) 10.713 11.078 ( 0.000 1.391 10.622) 10.713 13.004 ( 0.000 -6.158 -2.777) 6.755 13.004 ( 0.000 6.158 -2.777) 6.755 13.029 ( 0.000 -6.100 -0.567) 6.126 13.029 ( 0.000 6.100 -0.567) 6.126 14.085 ( 0.000 -19.705 -4.817) 20.286 14.085 ( 0.000 19.705 -4.817) 20.286 14.553 ( 0.000 -4.806 1.708) 5.100 14.553 ( 0.000 4.806 1.708) 5.100 15.054 ( 0.000 -9.680 -5.156) 10.968 15.054 ( 0.000 9.680 -5.156) 10.968 15.960 ( 0.000 -18.168 10.180) 20.825 15.960 ( 0.000 18.168 10.180) 20.825 17.172 ( 0.000 -5.602 -5.591) 7.914 17.172 ( 0.000 5.602 -5.591) 7.914 17.614 ( 0.000 -4.069 2.410) 4.729 17.614 ( 0.000 4.069 2.410) 4.729 18.248 ( 0.000 -8.522 -2.895) 9.000 18.248 ( 0.000 8.522 -2.895) 9.000 18.546 ( 0.000 -8.761 1.822) 8.948 18.546 ( 0.000 8.761 1.822) 8.948 19.876 ( 0.000 -7.548 0.166) 7.550 19.876 ( 0.000 7.548 0.166) 7.550 20.049 ( 0.000 -1.754 3.153) 3.608 20.049 ( 0.000 1.754 3.153) 3.608 21.530 ( 0.000 -7.775 -2.448) 8.151 21.530 ( 0.000 7.775 -2.448) 8.151 21.648 ( 0.000 -2.585 -0.340) 2.607 21.648 ( 0.000 2.585 -0.340) 2.608 ======================= Grid point 363 (109/144) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( 0.000 0.000 -16.315) 16.315 2.076 ( 0.000 0.000 16.315) 16.315 2.141 ( 0.000 0.000 -13.087) 13.087 2.141 ( 0.000 0.000 13.087) 13.087 3.613 ( 0.000 0.000 -52.164) 52.164 3.613 ( 0.000 0.000 52.164) 52.164 4.859 ( 0.000 0.000 -10.775) 10.775 4.859 ( 0.000 0.000 10.775) 10.775 5.197 ( 0.000 0.000 -26.441) 26.441 5.197 ( 0.000 0.000 26.441) 26.441 5.750 ( 0.000 0.000 -4.535) 4.535 5.750 ( 0.000 0.000 4.535) 4.535 6.606 ( 0.000 0.000 -17.142) 17.142 6.606 ( 0.000 0.000 17.142) 17.142 6.813 ( 0.000 0.000 -14.783) 14.783 6.813 ( 0.000 0.000 14.783) 14.783 7.433 ( 0.000 0.000 -7.250) 7.250 7.433 ( 0.000 0.000 7.250) 7.250 7.899 ( 0.000 0.000 -16.968) 16.968 7.899 ( 0.000 0.000 16.968) 16.968 8.510 ( 0.000 0.000 -14.026) 14.026 8.510 ( 0.000 0.000 14.026) 14.026 8.668 ( 0.000 0.000 -11.858) 11.858 8.668 ( 0.000 0.000 11.858) 11.858 9.160 ( 0.000 0.000 -1.361) 1.361 9.160 ( 0.000 0.000 1.361) 1.361 10.017 ( 0.000 0.000 -7.847) 7.847 10.017 ( 0.000 0.000 7.847) 7.847 10.537 ( 0.000 0.000 -6.158) 6.158 10.537 ( 0.000 0.000 6.158) 6.158 11.391 ( 0.000 0.000 -1.915) 1.915 11.391 ( 0.000 0.000 1.915) 1.915 11.456 ( 0.000 0.000 -4.098) 4.098 11.456 ( 0.000 0.000 4.098) 4.098 13.175 ( 0.000 0.000 -5.808) 5.808 13.175 ( 0.000 0.000 5.808) 5.808 13.610 ( 0.000 0.000 -12.589) 12.589 13.610 ( 0.000 0.000 12.589) 12.589 15.244 ( 0.000 0.000 -13.448) 13.448 15.244 ( 0.000 0.000 13.448) 13.448 15.628 ( 0.000 0.000 -6.374) 6.374 15.628 ( 0.000 0.000 6.374) 6.374 16.287 ( 0.000 0.000 -4.729) 4.729 16.287 ( 0.000 0.000 4.729) 4.729 16.825 ( 0.000 0.000 -7.514) 7.514 16.825 ( 0.000 0.000 7.514) 7.514 17.742 ( 0.000 0.000 -6.242) 6.242 17.742 ( 0.000 0.000 6.242) 6.242 17.760 ( 0.000 0.000 -15.321) 15.321 17.760 ( 0.000 0.000 15.321) 15.321 19.498 ( 0.000 0.000 -5.459) 5.459 19.498 ( 0.000 0.000 5.459) 5.459 19.696 ( 0.000 0.000 -7.856) 7.856 19.696 ( 0.000 0.000 7.856) 7.856 19.700 ( 0.000 0.000 -0.175) 0.175 19.700 ( 0.000 0.000 0.175) 0.175 20.663 ( 0.000 0.000 -2.718) 2.718 20.663 ( 0.000 0.000 2.718) 2.718 22.937 ( 0.000 0.000 -3.310) 3.310 22.937 ( 0.000 0.000 3.310) 3.310 ======================= Grid point 365 (110/144) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( 4.322 0.000 -19.002) 19.488 2.154 ( 4.322 0.000 19.002) 19.488 2.282 ( 15.959 0.000 -22.108) 27.266 2.282 ( 15.959 0.000 22.108) 27.266 3.678 ( 7.375 0.000 -44.522) 45.129 3.678 ( 7.375 0.000 44.522) 45.129 4.876 ( 1.321 0.000 -10.229) 10.314 4.876 ( 1.321 0.000 10.229) 10.314 5.212 ( 1.801 0.000 -26.226) 26.287 5.212 ( 1.801 0.000 26.226) 26.287 5.776 ( 2.659 0.000 -4.403) 5.144 5.776 ( 2.659 0.000 4.403) 5.144 6.552 ( -5.834 0.000 -14.152) 15.308 6.552 ( -5.834 0.000 14.152) 15.308 6.778 ( -4.424 0.000 -19.829) 20.317 6.778 ( -4.424 0.000 19.829) 20.317 7.432 ( 2.190 0.000 -0.973) 2.396 7.432 ( 2.190 0.000 0.973) 2.396 7.861 ( -5.853 0.000 -16.605) 17.606 7.861 ( -5.853 0.000 16.605) 17.606 8.394 ( -9.915 0.000 -6.992) 12.132 8.394 ( -9.915 0.000 6.992) 12.132 8.671 ( -0.143 0.000 -15.689) 15.690 8.671 ( -0.143 0.000 15.689) 15.690 9.092 ( -4.774 0.000 -0.197) 4.778 9.092 ( -4.774 0.000 0.197) 4.778 10.167 ( 13.026 0.000 -7.905) 15.237 10.167 ( 13.026 0.000 7.905) 15.237 10.502 ( -3.510 0.000 -3.333) 4.840 10.502 ( -3.510 0.000 3.333) 4.840 11.306 ( -13.821 0.000 -7.345) 15.652 11.306 ( -13.821 0.000 7.345) 15.652 11.424 ( 3.021 0.000 -1.307) 3.292 11.424 ( 3.021 0.000 1.307) 3.292 13.159 ( -1.698 0.000 -5.742) 5.987 13.159 ( -1.698 0.000 5.742) 5.987 13.739 ( 11.530 0.000 -5.314) 12.695 13.739 ( 11.530 0.000 5.314) 12.695 15.202 ( -4.254 0.000 -13.662) 14.309 15.202 ( -4.254 0.000 13.662) 14.309 15.588 ( -3.657 0.000 -6.094) 7.107 15.588 ( -3.657 0.000 6.094) 7.107 16.280 ( -0.897 0.000 -2.569) 2.721 16.280 ( -0.897 0.000 2.569) 2.721 16.867 ( 4.213 0.000 -4.576) 6.221 16.867 ( 4.213 0.000 4.576) 6.221 17.552 ( -9.692 0.000 -7.732) 12.398 17.552 ( -9.692 0.000 7.732) 12.398 17.954 ( 10.346 0.000 -0.555) 10.361 17.954 ( 10.346 0.000 0.555) 10.361 19.541 ( -4.959 0.000 -0.257) 4.965 19.541 ( -4.959 0.000 0.257) 4.965 19.561 ( 4.303 0.000 -0.104) 4.305 19.561 ( 4.303 0.000 0.104) 4.305 19.873 ( 8.377 0.000 -0.108) 8.378 19.873 ( 8.377 0.000 0.108) 8.378 20.669 ( 0.700 0.000 -2.249) 2.356 20.669 ( 0.700 0.000 2.249) 2.356 22.859 ( -7.727 0.000 -0.989) 7.790 22.859 ( -7.727 0.000 0.989) 7.790 ======================= Grid point 367 (111/144) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( 5.507 0.000 -19.034) 19.814 2.249 ( 5.507 0.000 19.034) 19.814 2.616 ( 15.881 0.000 -24.478) 29.178 2.616 ( 15.881 0.000 24.478) 29.178 3.925 ( 18.586 0.000 -25.790) 31.789 3.925 ( 18.586 0.000 25.790) 31.789 4.880 ( -1.458 0.000 -9.413) 9.526 4.880 ( -1.458 0.000 9.413) 9.526 5.281 ( 5.548 0.000 -23.636) 24.279 5.281 ( 5.548 0.000 23.636) 24.279 5.843 ( 3.623 0.000 -3.567) 5.084 5.843 ( 3.623 0.000 3.567) 5.084 6.371 ( -12.083 0.000 -16.163) 20.180 6.371 ( -12.083 0.000 16.163) 20.180 6.680 ( -4.140 0.000 -14.800) 15.368 6.680 ( -4.140 0.000 14.800) 15.368 7.545 ( 7.550 0.000 -0.490) 7.566 7.545 ( 7.550 0.000 0.490) 7.566 7.637 ( -15.637 0.000 -7.259) 17.240 7.637 ( -15.637 0.000 7.259) 17.240 8.216 ( -7.670 0.000 -0.965) 7.730 8.216 ( -7.670 0.000 0.965) 7.730 8.658 ( -1.161 0.000 -18.995) 19.031 8.658 ( -1.161 0.000 18.995) 19.031 9.025 ( -2.207 0.000 -0.566) 2.278 9.025 ( -2.207 0.000 0.566) 2.278 10.400 ( -3.651 0.000 -5.556) 6.648 10.400 ( -3.651 0.000 5.556) 6.648 10.429 ( 8.866 0.000 -1.178) 8.944 10.429 ( 8.866 0.000 1.178) 8.944 11.010 ( -14.771 0.000 -9.223) 17.414 11.010 ( -14.771 0.000 9.223) 17.414 11.489 ( 3.218 0.000 -0.393) 3.242 11.489 ( 3.218 0.000 0.393) 3.242 13.109 ( -3.531 0.000 -4.354) 5.606 13.109 ( -3.531 0.000 4.354) 5.606 13.976 ( 11.910 0.000 -0.851) 11.941 13.976 ( 11.910 0.000 0.851) 11.941 15.093 ( -6.547 0.000 -12.898) 14.464 15.093 ( -6.547 0.000 12.898) 14.464 15.509 ( -4.245 0.000 -5.667) 7.081 15.509 ( -4.245 0.000 5.667) 7.081 16.246 ( -2.651 0.000 -0.007) 2.651 16.246 ( -2.651 0.000 0.007) 2.651 16.963 ( 4.884 0.000 -0.671) 4.930 16.963 ( 4.884 0.000 0.671) 4.930 17.405 ( -4.973 0.000 -15.474) 16.253 17.405 ( -4.973 0.000 15.474) 16.253 18.142 ( 9.050 0.000 -0.155) 9.052 18.142 ( 9.050 0.000 0.155) 9.052 19.447 ( -3.487 0.000 -0.079) 3.488 19.447 ( -3.487 0.000 0.079) 3.488 19.710 ( 9.274 0.000 -1.293) 9.364 19.710 ( 9.274 0.000 1.293) 9.364 19.998 ( 4.466 0.000 -0.452) 4.489 19.998 ( 4.466 0.000 0.452) 4.489 20.690 ( 1.422 0.000 -1.711) 2.225 20.690 ( 1.422 0.000 1.711) 2.225 22.666 ( -11.691 0.000 -0.898) 11.725 22.666 ( -11.691 0.000 0.898) 11.725 ======================= Grid point 369 (112/144) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( 5.002 0.000 -14.215) 15.069 2.353 ( 5.002 0.000 14.215) 15.069 2.848 ( 8.669 0.000 -20.500) 22.257 2.848 ( 8.669 0.000 20.500) 22.257 4.335 ( 21.237 0.000 -9.983) 23.466 4.335 ( 21.237 0.000 9.983) 23.466 4.822 ( -4.145 0.000 -7.633) 8.686 4.822 ( -4.145 0.000 7.633) 8.686 5.413 ( 7.435 0.000 -18.144) 19.608 5.413 ( 7.435 0.000 18.144) 19.608 5.853 ( -3.825 0.000 -5.132) 6.400 5.853 ( -3.825 0.000 5.132) 6.400 6.211 ( -1.250 0.000 -9.966) 10.044 6.211 ( -1.250 0.000 9.966) 10.044 6.635 ( -0.574 0.000 -7.830) 7.851 6.635 ( -0.574 0.000 7.830) 7.851 7.299 ( -16.652 0.000 -0.463) 16.658 7.299 ( -16.652 0.000 0.463) 16.658 7.696 ( 4.947 0.000 -1.449) 5.155 7.696 ( 4.947 0.000 1.449) 5.155 8.105 ( -3.402 0.000 -1.249) 3.624 8.105 ( -3.402 0.000 1.249) 3.624 8.632 ( -1.400 0.000 -19.376) 19.427 8.632 ( -1.400 0.000 19.376) 19.427 9.000 ( -0.564 0.000 -1.253) 1.373 9.000 ( -0.564 0.000 1.253) 1.373 10.227 ( -11.886 0.000 -4.306) 12.642 10.227 ( -11.886 0.000 4.306) 12.642 10.552 ( 0.117 0.000 -0.345) 0.365 10.552 ( 0.117 0.000 0.345) 0.365 10.841 ( -0.876 0.000 -0.502) 1.009 10.841 ( -0.876 0.000 0.502) 1.009 11.536 ( 1.589 0.000 -0.148) 1.596 11.536 ( 1.589 0.000 0.148) 1.596 13.031 ( -4.191 0.000 -2.069) 4.673 13.031 ( -4.191 0.000 2.069) 4.673 14.173 ( 8.451 0.000 -2.460) 8.802 14.173 ( 8.451 0.000 2.460) 8.802 14.974 ( -5.392 0.000 -9.914) 11.285 14.974 ( -5.392 0.000 9.914) 11.285 15.432 ( -3.640 0.000 -4.952) 6.145 15.432 ( -3.640 0.000 4.952) 6.145 16.185 ( -3.505 0.000 -1.297) 3.738 16.185 ( -3.505 0.000 1.297) 3.738 17.032 ( 2.281 0.000 -2.831) 3.635 17.032 ( 2.281 0.000 2.831) 3.635 17.368 ( 0.642 0.000 -15.995) 16.008 17.368 ( 0.642 0.000 15.995) 16.008 18.292 ( 6.495 0.000 -0.017) 6.495 18.292 ( 6.495 0.000 0.017) 6.495 19.405 ( -0.982 0.000 -0.944) 1.362 19.405 ( -0.982 0.000 0.944) 1.362 19.887 ( 8.293 0.000 -0.395) 8.303 19.887 ( 8.293 0.000 0.395) 8.303 20.053 ( 1.757 0.000 -0.917) 1.982 20.053 ( 1.757 0.000 0.917) 1.982 20.723 ( 2.075 0.000 -2.198) 3.023 20.723 ( 2.075 0.000 2.198) 3.023 22.436 ( -11.745 0.000 -2.867) 12.090 22.436 ( -11.745 0.000 2.867) 12.090 ======================= Grid point 371 (113/144) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( 2.900 0.000 -7.481) 8.023 2.430 ( 2.900 0.000 7.481) 8.023 2.968 ( 4.078 0.000 -11.216) 11.934 2.968 ( 4.078 0.000 11.216) 11.934 4.634 ( 8.655 0.000 -2.775) 9.089 4.634 ( 8.655 0.000 2.775) 9.089 4.745 ( -3.298 0.000 -3.488) 4.800 4.745 ( -3.298 0.000 3.488) 4.800 5.520 ( 2.791 0.000 -8.940) 9.365 5.520 ( 2.791 0.000 8.940) 9.365 5.804 ( 1.457 0.000 -7.723) 7.859 5.804 ( 1.457 0.000 7.723) 7.859 6.286 ( 6.425 0.000 -0.757) 6.469 6.286 ( 6.425 0.000 0.757) 6.469 6.649 ( 1.537 0.000 -10.442) 10.555 6.649 ( 1.537 0.000 10.442) 10.555 7.020 ( -11.816 0.000 -10.771) 15.989 7.020 ( -11.816 0.000 10.771) 15.989 7.707 ( -2.749 0.000 -0.012) 2.749 7.707 ( -2.749 0.000 0.012) 2.749 8.101 ( 1.977 0.000 -4.698) 5.097 8.101 ( 1.977 0.000 4.698) 5.097 8.609 ( -0.900 0.000 -13.129) 13.160 8.609 ( -0.900 0.000 13.129) 13.160 9.001 ( 0.541 0.000 -0.813) 0.976 9.001 ( 0.541 0.000 0.813) 0.976 9.990 ( -10.965 0.000 -4.643) 11.907 9.990 ( -10.965 0.000 4.643) 11.907 10.513 ( -2.073 0.000 -0.001) 2.073 10.513 ( -2.073 0.000 0.001) 2.073 10.885 ( 2.637 0.000 -0.428) 2.671 10.885 ( 2.637 0.000 0.428) 2.671 11.552 ( 0.276 0.000 -0.047) 0.280 11.552 ( 0.276 0.000 0.047) 0.280 12.963 ( -2.581 0.000 -0.514) 2.632 12.963 ( -2.581 0.000 0.514) 2.632 14.295 ( 4.203 0.000 -1.054) 4.333 14.295 ( 4.203 0.000 1.054) 4.333 14.899 ( -2.403 0.000 -5.131) 5.666 14.899 ( -2.403 0.000 5.131) 5.666 15.373 ( -2.383 0.000 -2.923) 3.772 15.373 ( -2.383 0.000 2.923) 3.772 16.124 ( -2.472 0.000 -0.788) 2.595 16.124 ( -2.472 0.000 0.788) 2.595 17.063 ( 1.169 0.000 -1.515) 1.914 17.063 ( 1.169 0.000 1.515) 1.914 17.394 ( 1.326 0.000 -9.085) 9.181 17.394 ( 1.326 0.000 9.085) 9.181 18.388 ( 3.396 0.000 -0.000) 3.396 18.388 ( 3.396 0.000 0.000) 3.396 19.401 ( 0.257 0.000 -0.879) 0.916 19.401 ( 0.257 0.000 0.879) 0.916 19.995 ( 2.578 0.000 -0.026) 2.579 19.995 ( 2.578 0.000 0.026) 2.579 20.089 ( 2.159 0.000 -0.008) 2.159 20.089 ( 2.159 0.000 0.008) 2.159 20.769 ( 2.439 0.000 -1.617) 2.926 20.769 ( 2.439 0.000 1.617) 2.926 22.240 ( -7.914 0.000 -2.637) 8.342 22.240 ( -7.914 0.000 2.637) 8.342 ======================= Grid point 373 (114/144) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( 0.000 0.000 0.000) 0.000 2.459 ( 0.000 0.000 0.000) 0.000 3.007 ( 0.000 0.000 0.000) 0.000 3.007 ( 0.000 0.000 0.000) 0.000 4.702 ( 0.000 0.000 0.000) 0.000 4.702 ( 0.000 0.000 0.000) 0.000 4.710 ( 0.000 0.000 0.000) 0.000 4.710 ( 0.000 0.000 0.000) 0.000 5.541 ( 0.000 0.000 -0.000) 0.000 5.541 ( 0.000 0.000 -0.000) 0.000 5.843 ( 0.000 0.000 0.000) 0.000 5.843 ( 0.000 0.000 0.000) 0.000 6.372 ( 0.000 0.000 -0.000) 0.000 6.372 ( 0.000 0.000 -0.000) 0.000 6.667 ( 0.000 0.000 0.000) 0.000 6.667 ( 0.000 0.000 0.000) 0.000 6.891 ( 0.000 0.000 0.000) 0.000 6.891 ( 0.000 0.000 0.000) 0.000 7.666 ( 0.000 0.000 0.000) 0.000 7.666 ( 0.000 0.000 0.000) 0.000 8.127 ( 0.000 0.000 0.000) 0.000 8.127 ( 0.000 0.000 0.000) 0.000 8.600 ( 0.000 0.000 0.000) 0.000 8.600 ( 0.000 0.000 0.000) 0.000 9.009 ( 0.000 0.000 0.000) 0.000 9.009 ( 0.000 0.000 0.000) 0.000 9.874 ( 0.000 0.000 0.000) 0.000 9.874 ( 0.000 0.000 0.000) 0.000 10.493 ( 0.000 0.000 0.000) 0.000 10.493 ( 0.000 0.000 0.000) 0.000 10.911 ( 0.000 0.000 0.000) 0.000 10.911 ( 0.000 0.000 0.000) 0.000 11.554 ( 0.000 0.000 0.000) 0.000 11.554 ( 0.000 0.000 0.000) 0.000 12.938 ( 0.000 0.000 0.000) 0.000 12.938 ( 0.000 0.000 0.000) 0.000 14.335 ( 0.000 0.000 0.000) 0.000 14.335 ( 0.000 0.000 0.000) 0.000 14.877 ( 0.000 0.000 0.000) 0.000 14.877 ( 0.000 0.000 0.000) 0.000 15.349 ( 0.000 0.000 0.000) 0.000 15.349 ( 0.000 0.000 0.000) 0.000 16.099 ( 0.000 0.000 0.000) 0.000 16.099 ( 0.000 0.000 0.000) 0.000 17.075 ( 0.000 0.000 0.000) 0.000 17.075 ( 0.000 0.000 0.000) 0.000 17.407 ( 0.000 0.000 0.000) 0.000 17.407 ( 0.000 0.000 0.000) 0.000 18.421 ( 0.000 0.000 0.000) 0.000 18.421 ( 0.000 0.000 0.000) 0.000 19.405 ( 0.000 0.000 0.000) 0.000 19.405 ( 0.000 0.000 0.000) 0.000 20.013 ( 0.000 0.000 0.000) 0.000 20.013 ( 0.000 0.000 0.000) 0.000 20.114 ( 0.000 0.000 0.000) 0.000 20.114 ( 0.000 0.000 0.000) 0.000 20.797 ( 0.000 0.000 0.000) 0.000 20.797 ( 0.000 0.000 0.000) 0.000 22.159 ( 0.000 0.000 0.000) 0.000 22.159 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 385 (115/144) ======================= q-point: ( 0.00 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( 0.000 -1.642 -0.388) 1.687 2.062 ( 0.000 -1.642 0.388) 1.687 2.191 ( 0.000 5.243 -0.004) 5.243 2.191 ( 0.000 5.243 0.004) 5.243 3.658 ( 0.000 4.553 -42.904) 43.144 3.658 ( 0.000 4.553 42.904) 43.144 4.941 ( 0.000 6.089 -9.047) 10.905 4.941 ( 0.000 6.089 9.047) 10.905 5.199 ( 0.000 0.225 -25.345) 25.346 5.199 ( 0.000 0.225 25.345) 25.346 5.781 ( 0.000 3.758 -2.047) 4.280 5.781 ( 0.000 3.758 2.047) 4.280 6.644 ( 0.000 2.668 -16.310) 16.527 6.644 ( 0.000 2.668 16.310) 16.527 6.760 ( 0.000 -4.980 -10.258) 11.403 6.760 ( 0.000 -4.980 10.258) 11.403 7.424 ( 0.000 1.514 -9.562) 9.681 7.424 ( 0.000 1.514 9.562) 9.681 7.971 ( 0.000 4.445 -9.793) 10.755 7.971 ( 0.000 4.445 9.793) 10.755 8.468 ( 0.000 -3.197 -9.016) 9.566 8.468 ( 0.000 -3.197 9.016) 9.566 8.673 ( 0.000 0.593 -10.555) 10.572 8.673 ( 0.000 0.593 10.555) 10.572 9.153 ( 0.000 -0.655 -2.229) 2.323 9.153 ( 0.000 -0.655 2.229) 2.323 9.997 ( 0.000 -1.929 -5.572) 5.896 9.997 ( 0.000 -1.929 5.572) 5.896 10.460 ( 0.000 -6.745 -3.377) 7.543 10.460 ( 0.000 -6.745 3.377) 7.543 11.329 ( 0.000 -10.799 -7.087) 12.917 11.329 ( 0.000 -10.799 7.087) 12.917 11.532 ( 0.000 12.447 -3.462) 12.920 11.532 ( 0.000 12.447 3.462) 12.920 13.180 ( 0.000 0.506 -6.777) 6.796 13.180 ( 0.000 0.506 6.777) 6.796 13.605 ( 0.000 -0.629 -12.866) 12.881 13.605 ( 0.000 -0.629 12.866) 12.881 15.224 ( 0.000 -3.339 -11.776) 12.240 15.224 ( 0.000 -3.339 11.776) 12.240 15.561 ( 0.000 -5.196 -5.977) 7.919 15.561 ( 0.000 -5.196 5.977) 7.919 16.242 ( 0.000 -3.990 -4.416) 5.952 16.242 ( 0.000 -3.990 4.416) 5.952 16.796 ( 0.000 -2.868 -6.287) 6.911 16.796 ( 0.000 -2.868 6.287) 6.911 17.466 ( 0.000 -12.521 -18.077) 21.990 17.466 ( 0.000 -12.521 18.077) 21.990 18.024 ( 0.000 11.528 -3.377) 12.013 18.024 ( 0.000 11.528 3.377) 12.013 19.244 ( 0.000 -15.488 -1.889) 15.603 19.244 ( 0.000 -15.488 1.889) 15.603 19.541 ( 0.000 0.147 -6.002) 6.004 19.541 ( 0.000 0.147 6.002) 6.004 20.227 ( 0.000 25.851 -6.940) 26.766 20.227 ( 0.000 25.851 6.940) 26.766 20.663 ( 0.000 0.297 -2.828) 2.844 20.663 ( 0.000 0.297 2.828) 2.844 22.846 ( 0.000 -8.353 -1.627) 8.510 22.846 ( 0.000 -8.353 1.627) 8.510 ======================= Grid point 387 (116/144) ======================= q-point: ( 0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( 5.219 -4.410 0.000) 6.833 2.177 ( 4.170 1.948 -0.000) 4.603 2.349 ( 18.758 5.179 0.000) 19.460 2.378 ( 15.863 7.423 -0.000) 17.514 3.676 ( 4.485 3.132 -0.000) 5.471 3.740 ( 7.091 2.969 0.000) 7.688 4.848 ( -5.077 0.898 0.000) 5.155 5.043 ( 5.355 9.576 -0.000) 10.971 5.211 ( 2.033 0.787 0.000) 2.180 5.224 ( 2.373 0.411 -0.000) 2.408 5.787 ( 1.470 3.377 0.000) 3.683 5.794 ( 0.803 1.383 -0.000) 1.599 6.500 ( -6.764 -1.701 0.000) 6.974 6.580 ( -10.169 -1.365 0.000) 10.260 6.822 ( -1.168 1.884 -0.000) 2.217 6.827 ( 5.664 4.777 0.000) 7.409 7.302 ( -5.974 -6.571 0.000) 8.881 7.370 ( -4.734 -4.293 0.000) 6.391 7.950 ( 0.125 6.843 0.000) 6.844 8.018 ( -4.124 10.749 0.000) 11.513 8.286 ( -10.128 -6.425 0.000) 11.994 8.439 ( -5.861 0.491 0.000) 5.882 8.610 ( -3.411 -2.059 -0.000) 3.984 8.715 ( -0.126 1.036 0.000) 1.043 9.046 ( -7.485 -0.467 0.000) 7.500 9.156 ( 0.406 2.449 0.000) 2.482 10.047 ( 9.647 -7.177 0.000) 12.024 10.192 ( 11.739 -2.094 0.000) 11.924 10.352 ( -5.490 -8.660 0.000) 10.254 10.517 ( -0.160 -3.906 0.000) 3.909 11.220 ( -9.758 -7.281 -0.000) 12.175 11.227 ( -9.644 -7.012 0.000) 11.923 11.478 ( -1.407 9.404 0.000) 9.509 11.621 ( 5.112 14.122 0.000) 15.019 13.138 ( -3.061 -0.781 -0.000) 3.159 13.180 ( -1.255 0.880 0.000) 1.533 13.646 ( 7.427 -4.681 0.000) 8.779 13.794 ( 13.622 1.104 0.000) 13.667 15.185 ( -3.744 -2.306 -0.000) 4.397 15.198 ( -3.036 -1.760 0.000) 3.510 15.482 ( -6.120 -7.936 0.000) 10.022 15.541 ( -2.523 -4.915 -0.000) 5.525 16.220 ( 0.109 -3.084 0.000) 3.086 16.266 ( -0.676 -3.298 0.000) 3.366 16.854 ( 6.580 -1.500 -0.000) 6.748 16.863 ( 5.498 -1.008 0.000) 5.590 17.340 ( -5.520 -8.814 -0.000) 10.400 17.604 ( 5.939 -16.177 0.000) 17.233 17.824 ( -10.119 13.188 0.000) 16.623 18.219 ( 10.695 9.901 0.000) 14.574 19.135 ( -1.962 -16.089 0.000) 16.208 19.414 ( 7.634 -15.545 0.000) 17.319 19.559 ( 1.619 -2.775 0.000) 3.213 19.569 ( 3.156 1.141 -0.000) 3.356 20.064 ( -7.849 23.318 0.000) 24.604 20.365 ( 5.271 23.622 0.000) 24.203 20.646 ( 0.051 -1.021 -0.000) 1.023 20.716 ( 3.691 3.781 0.000) 5.284 22.726 ( -8.972 -9.727 0.000) 13.233 22.824 ( -5.028 -5.653 0.000) 7.565 ======================= Grid point 389 (117/144) ======================= q-point: ( 0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( 9.049 -2.238 0.000) 9.321 2.273 ( 5.581 3.299 -0.000) 6.484 2.709 ( 15.610 9.129 0.000) 18.083 2.716 ( 16.447 7.337 -0.000) 18.009 3.870 ( 16.497 -0.934 0.000) 16.524 3.958 ( 16.053 -1.361 0.000) 16.111 4.737 ( -6.409 -4.162 0.000) 7.642 5.112 ( 1.031 11.349 -0.000) 11.395 5.286 ( 5.769 1.748 0.000) 6.028 5.310 ( 6.844 1.494 -0.000) 7.005 5.812 ( 1.042 -2.100 0.000) 2.344 5.844 ( 4.075 1.155 -0.000) 4.236 6.341 ( -14.234 -0.880 -0.000) 14.261 6.354 ( -9.052 -1.209 0.000) 9.133 6.717 ( -7.002 5.155 0.000) 8.695 6.822 ( -4.210 8.589 -0.000) 9.566 7.275 ( -0.914 -14.319 0.000) 14.348 7.347 ( 1.358 -11.575 -0.000) 11.654 7.808 ( -10.127 5.775 0.000) 11.658 7.886 ( -7.580 14.277 0.000) 16.165 8.156 ( -6.753 1.546 0.000) 6.928 8.311 ( -5.869 3.220 0.000) 6.694 8.543 ( -3.314 -5.604 0.000) 6.511 8.686 ( -1.281 -3.437 -0.000) 3.668 8.943 ( -3.238 1.037 0.000) 3.400 9.181 ( 1.717 7.279 0.000) 7.479 10.250 ( -4.933 -9.198 0.000) 10.437 10.281 ( 12.841 -10.452 -0.000) 16.557 10.369 ( 4.536 -7.614 0.000) 8.863 10.427 ( -9.314 -3.680 0.000) 10.015 11.029 ( -9.498 1.671 -0.000) 9.644 11.030 ( -7.837 0.936 0.000) 7.893 11.473 ( 0.607 5.632 0.000) 5.664 11.718 ( 4.750 15.408 0.000) 16.123 13.065 ( -4.334 -2.246 -0.000) 4.881 13.132 ( -3.825 0.400 0.000) 3.846 13.823 ( 9.628 -7.742 0.000) 12.354 14.070 ( 14.283 2.423 0.000) 14.487 15.080 ( -6.835 -0.491 -0.000) 6.853 15.113 ( -5.466 0.455 0.000) 5.485 15.371 ( -4.727 -10.271 0.000) 11.306 15.491 ( -2.468 -4.074 0.000) 4.763 16.213 ( -4.335 -4.272 0.000) 6.086 16.228 ( 0.191 -0.037 0.000) 0.194 16.980 ( 5.839 1.448 0.000) 6.016 17.002 ( 7.477 2.547 -0.000) 7.899 17.274 ( -0.767 -6.342 0.000) 6.388 17.532 ( -10.556 2.704 0.000) 10.897 17.819 ( 7.690 -10.013 0.000) 12.625 18.430 ( 10.843 10.685 0.000) 15.223 19.152 ( 2.703 -14.529 0.000) 14.778 19.508 ( 2.203 -11.447 0.000) 11.657 19.591 ( 1.233 -8.176 0.000) 8.268 19.671 ( 7.507 -0.445 0.000) 7.521 19.947 ( -3.941 14.023 0.000) 14.567 20.416 ( 0.137 16.376 0.000) 16.377 20.664 ( 1.486 2.500 0.000) 2.908 20.804 ( 5.390 7.453 0.000) 9.198 22.528 ( -10.978 -9.247 0.000) 14.353 22.668 ( -10.651 -3.303 0.000) 11.151 ======================= Grid point 391 (118/144) ======================= q-point: ( 0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( 4.937 4.588 -0.000) 6.740 2.392 ( 8.639 1.963 0.000) 8.860 2.925 ( 7.368 8.729 0.000) 11.423 2.937 ( 7.212 6.380 -0.000) 9.629 4.270 ( 22.455 -3.056 0.000) 22.662 4.302 ( 16.357 -7.523 -0.000) 18.004 4.621 ( -4.535 -4.612 0.000) 6.468 5.089 ( -2.913 11.560 0.000) 11.921 5.421 ( 7.755 1.906 0.000) 7.986 5.455 ( 6.894 3.049 -0.000) 7.538 5.827 ( 0.256 -3.581 -0.000) 3.590 5.876 ( -3.439 1.724 -0.000) 3.846 6.097 ( -8.689 -2.169 0.000) 8.956 6.240 ( 1.901 -1.583 0.000) 2.474 6.625 ( -2.604 3.699 0.000) 4.524 6.760 ( -1.441 5.260 0.000) 5.454 7.111 ( -13.852 -8.504 0.000) 16.254 7.337 ( -4.533 -6.449 0.000) 7.882 7.722 ( -7.009 10.597 0.000) 12.706 7.799 ( 6.596 -1.382 0.000) 6.739 7.987 ( -10.343 0.517 0.000) 10.356 8.226 ( -3.211 3.267 0.000) 4.581 8.478 ( -3.757 -6.956 0.000) 7.906 8.702 ( 2.958 -3.679 0.000) 4.720 8.896 ( -2.144 2.761 0.000) 3.495 9.208 ( 0.894 10.102 0.000) 10.141 10.140 ( -6.769 -7.132 -0.000) 9.833 10.174 ( -15.381 -6.358 0.000) 16.643 10.354 ( -4.326 -10.695 0.000) 11.537 10.509 ( 10.067 -10.117 0.000) 14.272 10.885 ( -5.652 8.681 0.000) 10.359 10.970 ( 0.754 5.011 0.000) 5.067 11.488 ( 0.648 3.415 0.000) 3.476 11.794 ( 3.057 17.062 0.000) 17.333 12.984 ( -3.836 -2.929 0.000) 4.826 13.038 ( -5.541 -0.662 0.000) 5.580 13.986 ( 6.998 -9.048 0.000) 11.438 14.321 ( 11.460 5.168 0.000) 12.571 14.950 ( -6.064 -0.694 0.000) 6.104 15.011 ( -4.525 1.881 0.000) 4.900 15.305 ( -2.333 -8.908 0.000) 9.209 15.444 ( -2.557 -2.146 0.000) 3.338 16.116 ( -5.465 -5.755 0.000) 7.936 16.219 ( -1.083 2.733 0.000) 2.940 17.062 ( 2.735 2.471 0.000) 3.686 17.102 ( 2.529 5.710 -0.000) 6.245 17.318 ( 4.600 -3.504 0.000) 5.783 17.367 ( -5.490 -1.057 0.000) 5.591 17.977 ( 7.897 -12.029 0.000) 14.389 18.616 ( 8.220 13.169 0.000) 15.524 19.208 ( 2.783 -11.413 0.000) 11.748 19.516 ( -0.780 -1.628 0.000) 1.806 19.594 ( -0.836 -16.495 0.000) 16.516 19.845 ( 10.047 -3.163 0.000) 10.534 19.916 ( 0.212 1.005 0.000) 1.028 20.387 ( -2.798 9.431 0.000) 9.838 20.689 ( 1.031 6.200 0.000) 6.285 20.920 ( 6.680 10.692 0.000) 12.607 22.325 ( -9.819 -7.508 0.000) 12.361 22.441 ( -12.412 -2.402 0.000) 12.642 ======================= Grid point 393 (119/144) ======================= q-point: ( 0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( 2.724 5.379 -0.000) 6.030 2.526 ( 5.013 5.764 0.000) 7.639 3.022 ( 3.221 6.682 0.000) 7.418 3.029 ( 2.979 4.196 -0.000) 5.146 4.434 ( -1.115 -14.917 0.000) 14.958 4.611 ( 10.994 -2.069 0.000) 11.187 4.634 ( 3.841 -0.615 0.000) 3.890 5.027 ( -2.619 12.644 0.000) 12.913 5.530 ( 0.995 2.629 -0.000) 2.811 5.549 ( 4.625 1.818 0.000) 4.970 5.785 ( -2.712 0.951 -0.000) 2.874 5.838 ( 1.416 -3.257 0.000) 3.552 6.075 ( 5.864 -5.704 0.000) 8.181 6.426 ( 13.901 1.665 0.000) 14.001 6.608 ( 1.546 1.884 -0.000) 2.437 6.709 ( -7.976 1.819 0.000) 8.181 6.909 ( -2.523 -3.937 0.000) 4.676 7.146 ( -14.449 3.509 0.000) 14.869 7.648 ( -1.644 0.080 0.000) 1.646 7.774 ( -9.936 0.932 0.000) 9.979 7.953 ( 6.935 -6.651 0.000) 9.609 8.188 ( -0.786 1.259 -0.000) 1.485 8.398 ( -4.266 -9.899 0.000) 10.779 8.779 ( 4.082 1.518 0.000) 4.355 8.860 ( -1.252 1.312 0.000) 1.813 9.216 ( 0.075 10.713 0.000) 10.713 9.889 ( -12.716 -6.703 0.000) 14.375 10.006 ( -6.147 -1.944 0.000) 6.447 10.279 ( -2.760 -10.806 0.000) 11.153 10.661 ( 5.692 -8.760 0.000) 10.447 10.803 ( -3.199 10.165 0.000) 10.656 11.000 ( 1.493 4.185 0.000) 4.444 11.494 ( 0.067 3.089 0.000) 3.090 11.835 ( 1.244 18.447 0.000) 18.489 12.928 ( -1.893 -2.862 0.000) 3.431 12.940 ( -4.073 -2.197 0.000) 4.628 14.087 ( 3.504 -9.543 0.000) 10.166 14.491 ( 5.890 7.925 0.000) 9.874 14.862 ( -3.062 -1.308 0.000) 3.330 14.959 ( -0.760 3.685 0.000) 3.762 15.274 ( -0.985 -6.683 0.000) 6.756 15.391 ( -2.729 -1.292 0.000) 3.020 16.021 ( -3.916 -7.313 0.000) 8.295 16.195 ( -1.186 4.396 0.000) 4.554 17.101 ( 1.543 2.250 -0.000) 2.728 17.112 ( -0.619 5.575 0.000) 5.609 17.318 ( -0.663 -5.209 -0.000) 5.251 17.405 ( 3.604 -0.547 0.000) 3.646 18.101 ( 4.651 -10.649 0.000) 11.620 18.737 ( 4.243 15.971 0.000) 16.525 19.253 ( 1.721 -9.477 0.000) 9.632 19.499 ( -0.615 3.486 0.000) 3.539 19.571 ( -1.168 -22.832 0.000) 22.862 19.929 ( 0.642 -6.815 0.000) 6.845 20.032 ( 8.857 -4.318 0.000) 9.853 20.315 ( -4.571 4.748 0.000) 6.591 20.705 ( 0.697 7.907 0.000) 7.938 21.049 ( 6.091 13.476 0.000) 14.789 22.168 ( -6.067 -5.517 0.000) 8.201 22.222 ( -9.432 -3.008 0.000) 9.900 ======================= Grid point 395 (120/144) ======================= q-point: (-0.50 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.478 ( -0.000 5.556 0.000) 5.556 2.575 ( -0.000 7.272 0.000) 7.272 3.053 ( -0.000 5.730 0.000) 5.730 3.058 ( 0.000 3.411 0.000) 3.411 4.412 ( 0.000 -14.405 0.000) 14.405 4.666 ( -0.000 -1.997 0.000) 1.997 4.701 ( -0.000 -1.644 -0.000) 1.644 5.004 ( -0.000 14.279 0.000) 14.279 5.534 ( 0.000 2.031 -0.000) 2.031 5.589 ( 0.000 2.507 0.000) 2.507 5.773 ( -0.000 -1.526 0.000) 1.526 5.856 ( 0.000 -6.704 -0.000) 6.704 6.193 ( -0.000 -3.581 0.000) 3.581 6.553 ( 0.000 7.158 -0.000) 7.158 6.563 ( 0.000 -2.248 0.000) 2.248 6.805 ( 0.000 -4.500 0.000) 4.500 6.840 ( 0.000 7.965 0.000) 7.965 6.927 ( -0.000 0.114 0.000) 0.114 7.633 ( 0.000 -1.727 0.000) 1.727 7.659 ( 0.000 -1.949 0.000) 1.949 8.031 ( 0.000 -4.068 0.000) 4.068 8.184 ( 0.000 0.096 0.000) 0.096 8.346 ( 0.000 -13.271 0.000) 13.271 8.814 ( 0.000 9.742 0.000) 9.742 8.860 ( 0.000 -5.163 0.000) 5.163 9.216 ( 0.000 10.609 0.000) 10.609 9.753 ( 0.000 -6.794 0.000) 6.794 9.942 ( 0.000 1.048 0.000) 1.048 10.253 ( 0.000 -11.197 0.000) 11.197 10.726 ( -0.000 -11.458 0.000) 11.458 10.761 ( 0.000 13.633 0.000) 13.633 11.015 ( 0.000 3.929 0.000) 3.929 11.494 ( -0.000 3.266 0.000) 3.266 11.846 ( -0.000 18.961 0.000) 18.961 12.899 ( 0.000 -3.012 0.000) 3.012 12.910 ( 0.000 -2.743 0.000) 2.743 14.120 ( 0.000 -9.665 0.000) 9.665 14.545 ( 0.000 8.615 0.000) 8.615 14.833 ( 0.000 -1.584 0.000) 1.584 14.960 ( 0.000 5.674 0.000) 5.674 15.265 ( 0.000 -5.697 0.000) 5.697 15.359 ( -0.000 -1.811 0.000) 1.811 15.981 ( 0.000 -8.057 0.000) 8.057 16.182 ( 0.000 4.927 0.000) 4.927 17.104 ( 0.000 4.230 0.000) 4.230 17.117 ( 0.000 2.154 0.000) 2.154 17.314 ( 0.000 -5.675 0.000) 5.675 17.441 ( 0.000 0.579 0.000) 0.579 18.147 ( 0.000 -10.007 0.000) 10.007 18.777 ( 0.000 17.260 0.000) 17.260 19.270 ( 0.000 -8.930 0.000) 8.930 19.494 ( 0.000 3.924 0.000) 3.924 19.559 ( 0.000 -24.453 0.000) 24.453 19.934 ( 0.000 -9.111 0.000) 9.111 20.150 ( -0.000 -5.533 0.000) 5.533 20.238 ( 0.000 4.107 0.000) 4.107 20.713 ( 0.000 8.288 0.000) 8.288 21.116 ( 0.000 14.926 0.000) 14.926 22.108 ( 0.000 -4.592 0.000) 4.592 22.122 ( 0.000 -3.851 0.000) 3.851 ======================= Grid point 407 (121/144) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( 0.000 -0.524 -8.593) 8.609 2.033 ( 0.000 -0.524 8.593) 8.609 2.336 ( 0.000 8.259 -2.278) 8.567 2.336 ( 0.000 8.259 2.278) 8.567 3.795 ( 0.000 8.522 -26.918) 28.235 3.795 ( 0.000 8.522 26.918) 28.235 5.012 ( 0.000 -0.412 -6.911) 6.923 5.012 ( 0.000 -0.412 6.911) 6.923 5.213 ( 0.000 1.510 -21.525) 21.578 5.213 ( 0.000 1.510 21.525) 21.578 5.933 ( 0.000 11.099 -4.074) 11.823 5.933 ( 0.000 11.099 4.074) 11.823 6.541 ( 0.000 -10.977 -8.059) 13.618 6.541 ( 0.000 -10.977 8.059) 13.618 6.771 ( 0.000 4.660 -1.926) 5.043 6.771 ( 0.000 4.660 1.926) 5.043 7.536 ( 0.000 8.601 -11.318) 14.215 7.536 ( 0.000 8.601 11.318) 14.215 7.972 ( 0.000 -5.511 -5.377) 7.700 7.972 ( 0.000 -5.511 5.377) 7.700 8.434 ( 0.000 0.557 -6.709) 6.733 8.434 ( 0.000 0.557 6.709) 6.733 8.701 ( 0.000 2.348 -4.352) 4.945 8.701 ( 0.000 2.348 4.352) 4.945 9.144 ( 0.000 0.295 -2.034) 2.055 9.144 ( 0.000 0.295 2.034) 2.055 9.937 ( 0.000 -3.916 -0.974) 4.035 9.937 ( 0.000 -3.916 0.974) 4.035 10.295 ( 0.000 -8.765 -0.038) 8.765 10.295 ( 0.000 -8.765 0.038) 8.765 11.086 ( 0.000 -11.366 -10.514) 15.484 11.086 ( 0.000 -11.366 10.514) 15.484 11.858 ( 0.000 18.651 -5.518) 19.450 11.858 ( 0.000 18.651 5.518) 19.450 13.198 ( 0.000 1.302 -9.258) 9.349 13.198 ( 0.000 1.302 9.258) 9.349 13.575 ( 0.000 -2.518 -13.423) 13.657 13.575 ( 0.000 -2.518 13.423) 13.657 15.028 ( 0.000 -16.141 -4.906) 16.870 15.028 ( 0.000 -16.141 4.906) 16.870 15.504 ( 0.000 0.369 -8.821) 8.829 15.504 ( 0.000 0.369 8.821) 8.829 16.145 ( 0.000 -5.032 -4.178) 6.540 16.145 ( 0.000 -5.032 4.178) 6.540 16.717 ( 0.000 -4.288 -3.462) 5.512 16.717 ( 0.000 -4.288 3.462) 5.512 17.249 ( 0.000 -9.259 -17.400) 19.710 17.249 ( 0.000 -9.259 17.400) 19.710 18.202 ( 0.000 5.489 -3.572) 6.549 18.202 ( 0.000 5.489 3.572) 6.549 19.039 ( 0.000 -4.302 -6.116) 7.477 19.039 ( 0.000 -4.302 6.116) 7.477 19.554 ( 0.000 0.762 -3.743) 3.820 19.554 ( 0.000 0.762 3.743) 3.820 20.578 ( 0.000 2.878 -0.038) 2.878 20.578 ( 0.000 2.878 0.038) 2.878 20.785 ( 0.000 16.548 -6.062) 17.623 20.785 ( 0.000 16.548 6.062) 17.623 22.636 ( 0.000 -11.211 -0.110) 11.212 22.636 ( 0.000 -11.211 0.110) 11.212 ======================= Grid point 409 (122/144) ======================= q-point: ( 0.10 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( 5.802 -0.554 0.000) 5.828 2.251 ( 8.790 4.855 0.000) 10.042 2.465 ( 19.091 6.115 0.000) 20.046 2.542 ( 17.339 8.037 -0.000) 19.111 3.803 ( 1.566 8.744 -0.000) 8.883 3.805 ( 1.284 3.894 0.000) 4.100 4.842 ( -9.366 -2.229 0.000) 9.628 5.154 ( 6.966 -1.682 0.000) 7.167 5.239 ( 3.269 1.753 -0.000) 3.709 5.253 ( 2.893 3.881 0.000) 4.840 5.886 ( -2.465 8.891 -0.000) 9.226 5.954 ( 0.171 12.652 0.000) 12.653 6.450 ( -5.374 -4.262 0.000) 6.859 6.483 ( -6.132 -8.238 0.000) 10.270 6.836 ( 4.259 0.350 0.000) 4.274 6.881 ( 8.400 0.679 -0.000) 8.428 7.283 ( -17.348 3.765 0.000) 17.752 7.350 ( -16.661 2.095 -0.000) 16.792 8.036 ( 8.720 0.449 0.000) 8.732 8.145 ( -11.773 -5.962 0.000) 13.196 8.203 ( 3.863 4.770 0.000) 6.138 8.432 ( -4.827 -0.339 -0.000) 4.839 8.644 ( -6.868 6.883 -0.000) 9.724 8.728 ( -2.061 0.806 0.000) 2.213 9.081 ( -5.404 3.613 0.000) 6.500 9.182 ( 5.116 -0.087 0.000) 5.117 9.890 ( 3.744 -7.942 0.000) 8.780 10.076 ( 3.660 -8.829 0.000) 9.557 10.180 ( -3.943 -7.711 0.000) 8.661 10.371 ( 0.417 -9.271 0.000) 9.280 11.059 ( -2.110 -7.677 -0.000) 7.961 11.067 ( -1.868 -7.623 0.000) 7.848 11.776 ( -3.480 18.805 0.000) 19.125 11.962 ( 5.979 18.586 0.000) 19.524 13.131 ( -4.791 0.218 -0.000) 4.796 13.192 ( -2.243 0.326 0.000) 2.266 13.553 ( 3.956 -4.546 0.000) 6.026 13.786 ( 14.125 -1.587 0.000) 14.214 15.021 ( -0.022 -14.596 -0.000) 14.596 15.049 ( 1.105 -14.211 0.000) 14.254 15.373 ( -10.229 -1.285 0.000) 10.309 15.471 ( -4.197 -0.486 0.000) 4.225 16.168 ( -1.146 -5.510 0.000) 5.628 16.173 ( 3.883 -1.602 -0.000) 4.201 16.793 ( 10.028 -4.262 0.000) 10.896 16.822 ( 8.007 -2.745 0.000) 8.465 17.180 ( -3.231 -7.413 -0.000) 8.086 17.315 ( 3.178 -11.680 0.000) 12.104 18.082 ( -7.364 10.965 0.000) 13.208 18.349 ( 9.481 2.724 0.000) 9.864 18.903 ( -4.504 -6.484 0.000) 7.895 19.174 ( 5.230 -6.391 0.000) 8.258 19.530 ( -0.859 -1.154 0.000) 1.439 19.600 ( 3.229 1.726 -0.000) 3.661 20.407 ( -10.571 8.871 0.000) 13.800 20.606 ( -2.493 -1.887 0.000) 3.127 20.812 ( 3.998 18.515 -0.000) 18.942 20.867 ( 5.467 11.578 0.000) 12.804 22.502 ( -8.832 -11.262 0.000) 14.312 22.658 ( -2.417 -9.850 0.000) 10.142 ======================= Grid point 411 (123/144) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( 12.192 1.305 0.000) 12.261 2.398 ( 7.665 8.504 -0.000) 11.449 2.879 ( 18.513 8.248 0.000) 20.267 2.920 ( 18.668 10.273 -0.000) 21.308 3.883 ( 8.104 -4.725 -0.000) 9.381 3.900 ( 10.260 3.769 0.000) 10.930 4.670 ( -7.989 -3.451 0.000) 8.703 5.289 ( 3.882 0.947 0.000) 3.995 5.296 ( 4.213 -0.081 0.000) 4.213 5.335 ( 6.568 2.482 -0.000) 7.021 5.846 ( -1.646 8.096 0.000) 8.262 5.955 ( 0.451 10.414 0.000) 10.423 6.336 ( -9.142 -0.650 -0.000) 9.165 6.340 ( -6.927 -0.599 0.000) 6.953 6.826 ( -6.456 4.708 0.000) 7.991 6.962 ( -12.581 3.172 0.000) 12.975 7.021 ( 2.819 -8.499 0.000) 8.954 7.139 ( -2.247 -8.191 -0.000) 8.493 7.819 ( -14.737 -2.302 0.000) 14.916 8.151 ( 0.283 9.782 -0.000) 9.786 8.296 ( -1.511 7.914 0.000) 8.056 8.327 ( -5.457 -0.944 -0.000) 5.538 8.460 ( -9.205 -0.457 -0.000) 9.216 8.591 ( -7.682 -3.404 0.000) 8.402 9.023 ( -0.796 5.187 0.000) 5.248 9.311 ( 6.653 5.221 0.000) 8.457 10.021 ( 6.963 -14.432 0.000) 16.024 10.028 ( -4.860 -12.769 -0.000) 13.662 10.175 ( -0.331 -9.808 0.000) 9.813 10.294 ( -7.065 -8.121 0.000) 10.764 11.027 ( -0.651 -1.262 -0.000) 1.420 11.041 ( -0.545 -0.605 0.000) 0.814 11.725 ( -1.867 18.318 0.000) 18.413 12.083 ( 6.294 19.375 0.000) 20.372 13.026 ( -5.767 -1.378 -0.000) 5.930 13.124 ( -4.794 -1.108 0.000) 4.920 13.677 ( 7.701 -6.483 0.000) 10.066 14.080 ( 15.888 -1.029 0.000) 15.922 15.021 ( -0.486 -9.197 -0.000) 9.210 15.056 ( -0.727 -8.383 0.000) 8.414 15.170 ( -9.406 -4.753 0.000) 10.539 15.394 ( -3.040 -3.199 0.000) 4.413 16.094 ( -5.866 -6.513 0.000) 8.765 16.254 ( 3.710 2.203 0.000) 4.315 16.997 ( 9.168 -0.110 0.000) 9.168 17.024 ( 11.249 -0.935 0.000) 11.288 17.141 ( -0.054 -6.826 0.000) 6.826 17.371 ( 2.500 -11.788 0.000) 12.050 17.922 ( -7.794 13.337 0.000) 15.448 18.555 ( 11.424 1.146 0.000) 11.481 18.885 ( 1.981 -11.282 0.000) 11.454 19.233 ( 1.023 -9.179 0.000) 9.236 19.519 ( -0.259 -3.047 0.000) 3.058 19.683 ( 5.504 1.421 0.000) 5.684 20.196 ( -10.939 9.273 0.000) 14.340 20.535 ( -4.412 -0.916 0.000) 4.506 20.882 ( 2.849 14.595 0.000) 14.870 20.984 ( 6.678 9.747 0.000) 11.815 22.321 ( -9.532 -10.285 0.000) 14.023 22.548 ( -8.605 -7.889 0.000) 11.674 ======================= Grid point 413 (124/144) ======================= q-point: ( 0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.443 ( 12.333 3.467 0.000) 12.811 2.542 ( 6.948 10.897 -0.000) 12.924 3.085 ( 4.104 8.155 0.000) 9.129 3.163 ( 6.701 13.393 -0.000) 14.976 4.086 ( 9.243 -11.301 0.000) 14.599 4.217 ( 20.455 -2.382 0.000) 20.594 4.573 ( -0.874 -2.225 0.000) 2.390 5.272 ( -2.138 6.524 -0.000) 6.865 5.430 ( 6.298 -9.370 0.000) 11.290 5.477 ( 7.603 2.946 -0.000) 8.153 5.815 ( -2.271 8.457 0.000) 8.757 5.956 ( -2.661 7.345 -0.000) 7.813 6.157 ( -7.618 5.785 0.000) 9.566 6.223 ( -0.480 0.526 0.000) 0.712 6.717 ( -3.128 4.283 0.000) 5.304 6.800 ( -3.230 -2.076 0.000) 3.840 6.979 ( -8.315 -3.897 0.000) 9.183 7.158 ( 1.241 -9.280 0.000) 9.363 7.667 ( -0.820 -7.523 0.000) 7.567 7.998 ( -14.015 14.244 -0.000) 19.983 8.105 ( -13.791 7.592 0.000) 15.742 8.213 ( -5.464 -4.590 0.000) 7.137 8.358 ( -5.004 -4.829 -0.000) 6.955 8.590 ( 5.862 -5.083 0.000) 7.759 9.017 ( -0.167 7.062 0.000) 7.064 9.401 ( 2.643 8.792 0.000) 9.181 9.944 ( -3.564 -12.196 -0.000) 12.706 9.964 ( -12.511 -14.109 0.000) 18.857 10.135 ( -3.223 -10.335 0.000) 10.826 10.286 ( 6.446 -10.510 0.000) 12.329 11.035 ( -0.478 4.781 -0.000) 4.805 11.038 ( 1.550 1.981 0.000) 2.515 11.703 ( -0.524 17.728 0.000) 17.735 12.191 ( 4.702 20.627 0.000) 21.156 12.926 ( -4.319 -2.265 -0.000) 4.877 13.013 ( -6.483 -1.491 0.000) 6.653 13.817 ( 6.378 -7.465 0.000) 9.819 14.375 ( 14.223 0.247 0.000) 14.225 14.947 ( -6.392 0.285 0.000) 6.398 15.026 ( -1.537 -1.962 0.000) 2.493 15.089 ( 0.233 -11.710 0.000) 11.713 15.359 ( -1.208 -5.010 0.000) 5.154 15.963 ( -7.366 -8.331 0.000) 11.120 16.301 ( 1.301 4.927 0.000) 5.095 17.092 ( 1.607 -0.524 0.000) 1.691 17.167 ( 3.863 -1.345 -0.000) 4.090 17.241 ( 8.981 -3.264 0.000) 9.556 17.370 ( -3.446 1.587 -0.000) 3.794 17.868 ( 2.871 2.527 0.000) 3.825 18.765 ( 10.036 -0.514 0.000) 10.049 18.944 ( 3.452 -13.879 0.000) 14.302 19.221 ( -2.074 -11.247 0.000) 11.437 19.521 ( 0.541 -2.976 0.000) 3.025 19.808 ( 7.247 -0.153 0.000) 7.248 20.002 ( -9.068 6.467 0.000) 11.138 20.442 ( -5.294 -1.135 0.000) 5.414 20.921 ( 1.429 12.824 0.000) 12.904 21.124 ( 7.952 8.865 0.000) 11.909 22.151 ( -7.864 -8.888 0.000) 11.868 22.347 ( -11.758 -6.406 0.000) 13.390 ======================= Grid point 415 (125/144) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.643 ( 7.792 5.480 0.000) 9.526 2.649 ( 3.908 13.369 0.000) 13.928 3.115 ( 0.456 4.123 0.000) 4.148 3.230 ( 1.450 13.026 0.000) 13.106 4.154 ( -0.427 -11.861 0.000) 11.869 4.544 ( 10.790 -4.634 0.000) 11.743 4.611 ( 2.227 -1.755 0.000) 2.835 5.253 ( 1.011 8.276 0.000) 8.337 5.524 ( 3.815 -11.109 0.000) 11.746 5.596 ( 4.307 2.626 -0.000) 5.045 5.732 ( -5.994 6.482 0.000) 8.829 5.856 ( -4.745 6.272 -0.000) 7.865 6.128 ( 4.849 6.676 0.000) 8.251 6.411 ( 17.094 -0.772 0.000) 17.111 6.693 ( 0.095 4.601 -0.000) 4.602 6.740 ( -11.307 1.639 0.000) 11.425 6.840 ( 2.942 -3.230 0.000) 4.369 7.121 ( -6.670 -5.070 0.000) 8.378 7.674 ( -3.751 -9.259 -0.000) 9.990 7.726 ( -11.768 5.974 0.000) 13.198 7.910 ( -1.865 1.427 0.000) 2.349 8.137 ( -2.565 -6.080 0.000) 6.599 8.219 ( -9.023 -7.390 0.000) 11.664 8.723 ( 6.677 -2.305 0.000) 7.064 9.013 ( -0.277 8.918 0.000) 8.922 9.424 ( 0.271 9.544 0.000) 9.547 9.711 ( -11.729 -11.158 0.000) 16.188 9.897 ( -1.304 -8.787 0.000) 8.884 10.072 ( -2.915 -9.575 0.000) 10.009 10.404 ( 4.786 -13.940 0.000) 14.738 11.020 ( -0.953 8.143 0.000) 8.198 11.072 ( 1.620 3.190 0.000) 3.578 11.702 ( 0.283 17.754 0.000) 17.756 12.257 ( 2.246 21.690 0.000) 21.806 12.866 ( -1.951 -2.557 -0.000) 3.216 12.896 ( -5.016 -1.523 0.000) 5.242 13.911 ( 3.369 -7.707 0.000) 8.412 14.591 ( 7.373 1.606 0.000) 7.546 14.847 ( -3.583 -0.080 0.000) 3.584 15.038 ( 3.604 2.749 0.000) 4.533 15.107 ( 1.033 -9.551 -0.000) 9.607 15.321 ( -3.332 -4.713 0.000) 5.772 15.831 ( -5.751 -10.808 0.000) 12.243 16.311 ( 0.007 6.649 0.000) 6.649 17.119 ( 1.254 -1.088 0.000) 1.660 17.205 ( 0.848 -3.631 -0.000) 3.729 17.283 ( -4.075 9.128 0.000) 9.996 17.391 ( 5.803 -0.305 -0.000) 5.811 17.961 ( 4.746 -3.215 0.000) 5.733 18.933 ( 7.531 -2.967 0.000) 8.094 19.001 ( 2.194 -14.762 0.000) 14.925 19.158 ( -4.343 -11.512 0.000) 12.304 19.544 ( 1.770 0.157 0.000) 1.777 19.855 ( -5.992 1.132 0.000) 6.098 19.946 ( 6.577 -2.211 0.000) 6.939 20.338 ( -5.257 -1.227 0.000) 5.398 20.942 ( 0.815 12.187 0.000) 12.214 21.281 ( 7.734 8.968 0.000) 11.842 22.029 ( -4.591 -7.637 0.000) 8.911 22.126 ( -10.321 -6.156 0.000) 12.017 ======================= Grid point 417 (126/144) ======================= q-point: (-0.50 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.686 ( -0.000 14.484 0.000) 14.484 2.721 ( -0.000 6.446 0.000) 6.446 3.121 ( 0.000 2.276 0.000) 2.276 3.242 ( -0.000 12.405 0.000) 12.405 4.142 ( 0.000 -11.368 0.000) 11.368 4.626 ( -0.000 -1.874 0.000) 1.874 4.631 ( -0.000 -5.020 -0.000) 5.020 5.277 ( -0.000 9.447 0.000) 9.447 5.586 ( -0.000 -13.512 0.000) 13.512 5.638 ( 0.000 2.272 -0.000) 2.272 5.640 ( 0.000 8.208 0.000) 8.208 5.811 ( -0.000 5.503 0.000) 5.503 6.231 ( 0.000 4.384 0.000) 4.384 6.575 ( 0.000 3.193 -0.000) 3.193 6.648 ( 0.000 1.159 0.000) 1.159 6.754 ( 0.000 1.509 0.000) 1.509 6.902 ( -0.000 -2.205 0.000) 2.205 6.940 ( 0.000 1.167 0.000) 1.167 7.583 ( 0.000 -5.462 0.000) 5.462 7.611 ( 0.000 -0.533 0.000) 0.533 7.983 ( -0.000 -0.240 0.000) 0.240 8.071 ( 0.000 -13.422 0.000) 13.422 8.112 ( 0.000 -7.030 -0.000) 7.030 8.799 ( 0.000 -1.241 0.000) 1.241 9.010 ( 0.000 9.755 0.000) 9.755 9.426 ( 0.000 9.670 0.000) 9.670 9.584 ( 0.000 -10.401 0.000) 10.401 9.887 ( 0.000 -6.982 0.000) 6.982 10.041 ( 0.000 -9.436 0.000) 9.436 10.452 ( 0.000 -14.833 0.000) 14.833 11.008 ( 0.000 9.317 0.000) 9.317 11.089 ( 0.000 3.638 0.000) 3.638 11.706 ( -0.000 18.022 0.000) 18.022 12.278 ( -0.000 22.108 0.000) 22.108 12.844 ( 0.000 -1.601 0.000) 1.601 12.848 ( 0.000 -2.627 0.000) 2.627 13.944 ( 0.000 -7.730 0.000) 7.730 14.655 ( 0.000 1.975 0.000) 1.975 14.813 ( 0.000 -0.328 0.000) 0.328 15.117 ( 0.000 9.638 0.000) 9.638 15.118 ( 0.000 -8.673 -0.000) 8.673 15.255 ( -0.000 -8.887 0.000) 8.887 15.771 ( 0.000 -12.283 0.000) 12.283 16.310 ( 0.000 7.276 0.000) 7.276 17.133 ( 0.000 -1.081 -0.000) 1.081 17.213 ( 0.000 -3.328 0.000) 3.328 17.241 ( 0.000 8.818 0.000) 8.818 17.448 ( 0.000 0.578 0.000) 0.578 18.010 ( 0.000 -3.779 0.000) 3.779 19.022 ( 0.000 -14.957 0.000) 14.957 19.052 ( 0.000 7.380 -0.000) 7.380 19.067 ( 0.000 -22.814 0.000) 22.814 19.569 ( -0.000 3.509 0.000) 3.509 19.791 ( 0.000 -3.101 0.000) 3.101 20.023 ( 0.000 -3.563 0.000) 3.563 20.273 ( 0.000 -0.754 0.000) 0.754 20.951 ( 0.000 12.021 0.000) 12.021 21.370 ( 0.000 9.784 0.000) 9.784 21.984 ( 0.000 -7.119 0.000) 7.119 22.011 ( 0.000 -6.888 0.000) 6.888 ======================= Grid point 429 (127/144) ======================= q-point: ( 0.00 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( 0.000 1.790 -6.913) 7.141 2.048 ( 0.000 1.790 6.913) 7.141 2.504 ( 0.000 7.718 -0.105) 7.718 2.504 ( 0.000 7.718 0.105) 7.718 3.979 ( 0.000 8.743 -14.263) 16.729 3.979 ( 0.000 8.743 14.263) 16.729 4.936 ( 0.000 -5.623 -2.924) 6.338 4.936 ( 0.000 -5.623 2.924) 6.338 5.269 ( 0.000 3.750 -15.967) 16.401 5.269 ( 0.000 3.750 15.967) 16.401 6.178 ( 0.000 8.675 -8.501) 12.146 6.178 ( 0.000 8.675 8.501) 12.146 6.334 ( 0.000 -5.223 -6.668) 8.470 6.334 ( 0.000 -5.223 6.668) 8.470 6.853 ( 0.000 2.726 -6.714) 7.246 6.853 ( 0.000 2.726 6.714) 7.246 7.694 ( 0.000 1.305 -11.596) 11.670 7.694 ( 0.000 1.305 11.596) 11.670 7.813 ( 0.000 -3.986 -3.830) 5.528 7.813 ( 0.000 -3.986 3.830) 5.528 8.463 ( 0.000 1.682 -12.884) 12.994 8.463 ( 0.000 1.682 12.884) 12.994 8.748 ( 0.000 1.236 -4.904) 5.057 8.748 ( 0.000 1.236 4.904) 5.057 9.189 ( 0.000 4.479 -2.162) 4.974 9.189 ( 0.000 4.479 2.162) 4.974 9.847 ( 0.000 -4.543 -0.485) 4.569 9.847 ( 0.000 -4.543 0.485) 4.569 10.125 ( 0.000 -7.436 -2.304) 7.785 10.125 ( 0.000 -7.436 2.304) 7.785 10.899 ( 0.000 -6.868 -9.763) 11.937 10.899 ( 0.000 -6.868 9.763) 11.937 12.266 ( 0.000 20.890 -5.744) 21.665 12.266 ( 0.000 20.890 5.744) 21.665 13.236 ( 0.000 2.440 -11.637) 11.890 13.236 ( 0.000 2.440 11.637) 11.890 13.500 ( 0.000 -4.663 -12.918) 13.734 13.500 ( 0.000 -4.663 12.918) 13.734 14.624 ( 0.000 -22.141 -0.097) 22.141 14.624 ( 0.000 -22.141 0.097) 22.141 15.543 ( 0.000 2.574 -9.285) 9.635 15.543 ( 0.000 2.574 9.285) 9.635 16.049 ( 0.000 -4.223 -4.007) 5.822 16.049 ( 0.000 -4.223 4.007) 5.822 16.645 ( 0.000 -2.424 -2.574) 3.536 16.645 ( 0.000 -2.424 2.574) 3.536 17.072 ( 0.000 -8.202 -12.284) 14.770 17.072 ( 0.000 -8.202 12.284) 14.770 18.246 ( 0.000 -0.544 -4.760) 4.791 18.246 ( 0.000 -0.544 4.760) 4.791 19.060 ( 0.000 5.584 -8.642) 10.289 19.060 ( 0.000 5.584 8.642) 10.289 19.560 ( 0.000 -0.493 -0.488) 0.693 19.560 ( 0.000 -0.493 0.488) 0.693 20.558 ( 0.000 -2.517 -2.796) 3.762 20.558 ( 0.000 -2.517 2.796) 3.762 21.111 ( 0.000 13.216 -7.868) 15.381 21.111 ( 0.000 13.216 7.868) 15.381 22.423 ( 0.000 -9.127 -0.832) 9.164 22.423 ( 0.000 -9.127 0.832) 9.164 ======================= Grid point 431 (128/144) ======================= q-point: ( 0.10 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( 7.929 4.373 0.000) 9.055 2.343 ( 17.066 3.361 0.000) 17.394 2.597 ( 14.520 6.700 -0.000) 15.991 2.687 ( 16.543 5.842 0.000) 17.544 3.907 ( -4.954 5.957 -0.000) 7.748 3.996 ( -0.211 9.159 0.000) 9.162 4.767 ( -9.940 -4.290 0.000) 10.826 5.026 ( 3.168 -9.055 0.000) 9.593 5.291 ( 3.553 3.600 0.000) 5.058 5.346 ( 5.032 4.721 -0.000) 6.900 6.120 ( -2.059 9.914 0.000) 10.125 6.243 ( 2.134 12.591 -0.000) 12.771 6.305 ( -1.484 -5.111 0.000) 5.322 6.326 ( -1.280 -5.480 0.000) 5.627 6.858 ( 1.855 1.301 0.000) 2.265 6.894 ( 2.152 0.476 -0.000) 2.204 7.339 ( -19.447 0.058 0.000) 19.447 7.396 ( -22.235 0.870 0.000) 22.252 7.991 ( 13.348 -2.959 0.000) 13.673 8.058 ( -2.310 -1.769 0.000) 2.910 8.230 ( -3.702 -0.871 0.000) 3.803 8.421 ( -8.187 -1.609 -0.000) 8.344 8.766 ( 2.394 3.209 0.000) 4.003 8.871 ( -4.175 13.179 -0.000) 13.825 9.148 ( 6.335 -3.207 -0.000) 7.100 9.174 ( -4.625 5.016 0.000) 6.823 9.738 ( -3.095 -6.588 0.000) 7.278 9.882 ( -3.224 -8.983 0.000) 9.544 10.041 ( -2.877 -5.762 0.000) 6.440 10.180 ( -0.015 -8.736 0.000) 8.736 10.925 ( 2.704 -5.320 -0.000) 5.968 10.940 ( 3.494 -4.737 0.000) 5.886 12.211 ( -2.349 23.272 0.000) 23.390 12.350 ( 5.464 18.905 -0.000) 19.679 13.145 ( -6.430 0.976 -0.000) 6.504 13.194 ( -5.206 -0.091 0.000) 5.207 13.455 ( 3.249 -5.078 0.000) 6.029 13.743 ( 15.046 -2.197 0.000) 15.205 14.658 ( 3.704 -22.592 0.000) 22.894 14.664 ( 3.541 -18.842 -0.000) 19.172 15.387 ( -11.337 1.765 0.000) 11.474 15.494 ( -5.765 1.542 0.000) 5.967 16.072 ( -0.602 -3.307 0.000) 3.361 16.148 ( 8.142 -0.973 -0.000) 8.200 16.702 ( 10.172 -4.147 0.000) 10.985 16.767 ( 8.768 -2.368 0.000) 9.083 17.025 ( -2.035 -7.627 -0.000) 7.894 17.117 ( 2.166 -8.113 0.000) 8.397 18.228 ( -0.104 2.964 -0.000) 2.966 18.340 ( 7.030 -2.719 0.000) 7.537 18.887 ( -10.008 4.868 0.000) 11.129 19.156 ( 2.522 3.738 0.000) 4.509 19.500 ( -2.863 -2.014 0.000) 3.501 19.626 ( 3.783 0.418 0.000) 3.806 20.478 ( -6.504 0.172 -0.000) 6.506 20.550 ( -2.197 -3.304 0.000) 3.968 21.122 ( 1.667 11.571 -0.000) 11.690 21.127 ( 0.978 12.208 0.000) 12.247 22.300 ( -7.869 -7.970 0.000) 11.200 22.454 ( -1.375 -9.564 0.000) 9.663 ======================= Grid point 433 (129/144) ======================= q-point: ( 0.20 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( 13.519 6.030 0.000) 14.803 2.580 ( 10.017 8.133 -0.000) 12.903 3.035 ( 23.976 6.497 0.000) 24.840 3.093 ( 23.037 6.312 0.000) 23.886 3.820 ( -2.338 -0.240 -0.000) 2.350 4.004 ( 2.599 5.681 0.000) 6.248 4.588 ( -7.846 -4.163 0.000) 8.883 5.075 ( 1.770 -14.113 0.000) 14.224 5.391 ( 6.604 3.413 -0.000) 7.434 5.421 ( 2.531 6.476 -0.000) 6.953 6.102 ( -0.082 13.098 0.000) 13.099 6.232 ( -2.096 14.791 -0.000) 14.939 6.291 ( -0.019 -1.796 0.000) 1.796 6.309 ( -1.872 -2.457 0.000) 3.089 6.880 ( -7.568 -3.027 0.000) 8.151 6.885 ( -1.917 0.812 -0.000) 2.082 7.016 ( -9.298 -0.201 0.000) 9.300 7.033 ( -11.592 -2.236 -0.000) 11.805 7.788 ( -15.829 -0.065 0.000) 15.830 8.159 ( -0.027 -5.629 0.000) 5.629 8.308 ( 2.708 -3.099 -0.000) 4.115 8.333 ( 3.784 -2.084 -0.000) 4.320 8.618 ( -17.725 11.193 -0.000) 20.964 8.629 ( -16.231 7.595 0.000) 17.920 9.128 ( 1.026 4.964 0.000) 5.069 9.369 ( 12.107 -0.722 0.000) 12.129 9.723 ( -0.709 -13.971 0.000) 13.989 9.771 ( -6.720 -10.302 0.000) 12.299 9.996 ( -2.532 -7.655 0.000) 8.063 10.129 ( -3.985 -7.661 0.000) 8.635 10.988 ( 3.675 -2.166 -0.000) 4.266 11.019 ( 4.313 -1.286 0.000) 4.501 12.176 ( -1.241 24.924 0.000) 24.955 12.470 ( 6.624 17.832 0.000) 19.022 13.014 ( -6.674 0.173 -0.000) 6.676 13.092 ( -5.236 -1.897 0.000) 5.569 13.559 ( 6.563 -5.081 0.000) 8.300 14.048 ( 16.205 -1.726 0.000) 16.297 14.745 ( 4.609 -14.912 0.000) 15.608 14.748 ( 5.105 -20.316 -0.000) 20.947 15.165 ( -11.108 1.733 0.000) 11.243 15.381 ( -5.211 0.379 0.000) 5.225 15.990 ( -7.047 -2.608 0.000) 7.514 16.299 ( 6.595 1.685 0.000) 6.807 16.964 ( 9.967 -4.744 -0.000) 11.039 16.968 ( 13.487 -4.160 0.000) 14.114 17.009 ( 1.988 -3.947 -0.000) 4.419 17.174 ( 5.458 -7.323 0.000) 9.134 18.195 ( -4.594 11.217 0.000) 12.122 18.495 ( 8.259 -5.490 0.000) 9.917 18.723 ( -5.733 -3.261 0.000) 6.596 19.156 ( -2.333 0.006 0.000) 2.333 19.464 ( -0.433 -1.914 0.000) 1.962 19.711 ( 5.150 0.724 0.000) 5.201 20.321 ( -9.445 3.439 0.000) 10.052 20.485 ( -4.392 -3.429 0.000) 5.572 21.142 ( 0.568 10.468 -0.000) 10.484 21.176 ( 3.940 8.518 0.000) 9.385 22.140 ( -8.451 -6.931 0.000) 10.930 22.371 ( -7.095 -9.046 0.000) 11.497 ======================= Grid point 435 (130/144) ======================= q-point: ( 0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.537 ( 12.969 5.668 0.000) 14.153 2.767 ( 9.446 9.439 -0.000) 13.354 3.284 ( 1.183 11.875 0.000) 11.933 3.432 ( 10.033 12.301 0.000) 15.873 3.892 ( 7.940 -7.000 0.000) 10.585 4.165 ( 14.326 -2.775 0.000) 14.593 4.506 ( 0.159 -4.190 0.000) 4.193 5.082 ( -0.917 -18.662 0.000) 18.685 5.465 ( 3.105 8.933 0.000) 9.457 5.533 ( 7.653 2.890 -0.000) 8.181 6.082 ( -3.561 13.403 0.000) 13.868 6.169 ( -7.608 10.700 -0.000) 13.129 6.262 ( 2.506 4.478 0.000) 5.132 6.278 ( -1.386 6.764 0.000) 6.905 6.714 ( -3.170 -4.661 0.000) 5.637 6.779 ( -3.284 1.671 0.000) 3.684 6.933 ( -4.840 -1.514 0.000) 5.071 6.995 ( 1.252 -6.209 0.000) 6.333 7.554 ( -7.551 -3.156 0.000) 8.184 8.063 ( -6.348 -9.014 0.000) 11.024 8.241 ( -22.037 7.657 -0.000) 23.329 8.252 ( -17.558 4.170 0.000) 18.047 8.281 ( -7.250 -0.373 0.000) 7.260 8.506 ( 10.223 -2.775 0.000) 10.593 9.168 ( 2.249 7.741 0.000) 8.061 9.551 ( 6.270 3.432 0.000) 7.148 9.630 ( -9.200 -17.389 -0.000) 19.673 9.665 ( -3.613 -12.187 0.000) 12.711 9.941 ( -3.015 -8.868 0.000) 9.366 10.096 ( 1.105 -8.187 0.000) 8.262 11.062 ( 3.955 0.656 -0.000) 4.009 11.090 ( 2.788 1.192 0.000) 3.032 12.166 ( 0.226 26.195 0.000) 26.196 12.588 ( 5.342 17.372 0.000) 18.174 12.906 ( -4.389 0.480 -0.000) 4.415 12.991 ( -5.252 -0.382 0.000) 5.266 13.682 ( 5.895 -5.529 0.000) 8.082 14.347 ( 14.403 -2.416 0.000) 14.604 14.831 ( 4.135 -12.129 -0.000) 12.815 14.840 ( 4.390 -16.566 0.000) 17.137 14.979 ( -8.049 1.767 0.000) 8.241 15.310 ( -1.980 -0.432 0.000) 2.027 15.827 ( -9.640 -3.328 0.000) 10.198 16.390 ( 3.108 2.743 0.000) 4.145 17.017 ( 1.796 -5.797 0.000) 6.069 17.103 ( 2.946 -3.534 0.000) 4.601 17.213 ( 12.003 0.079 0.000) 12.003 17.366 ( 10.557 -2.102 -0.000) 10.764 18.062 ( -7.425 14.278 0.000) 16.093 18.626 ( 4.753 -9.291 0.000) 10.436 18.679 ( 0.271 -11.285 0.000) 11.288 19.089 ( -3.835 -5.351 0.000) 6.583 19.490 ( 2.985 0.975 0.000) 3.140 19.823 ( 6.311 0.750 0.000) 6.356 20.132 ( -9.922 5.641 0.000) 11.413 20.388 ( -5.593 -3.699 0.000) 6.705 21.151 ( 0.479 9.486 0.000) 9.498 21.275 ( 6.353 5.872 0.000) 8.651 21.988 ( -7.054 -6.538 0.000) 9.618 22.196 ( -10.663 -8.063 0.000) 13.368 ======================= Grid point 437 (131/144) ======================= q-point: ( 0.40 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.747 ( 8.200 4.725 0.000) 9.464 2.936 ( 7.977 11.575 0.000) 14.057 3.218 ( -5.449 8.093 0.000) 9.757 3.522 ( 1.487 14.909 0.000) 14.983 3.980 ( 1.187 -4.566 0.000) 4.718 4.426 ( 9.388 -6.785 0.000) 11.583 4.559 ( 2.965 -3.416 0.000) 4.523 5.064 ( -0.389 -20.451 0.000) 20.455 5.567 ( 7.474 11.523 0.000) 13.734 5.650 ( 3.934 2.786 -0.000) 4.821 5.952 ( -8.025 10.780 0.000) 13.439 6.022 ( -5.593 8.511 -0.000) 10.184 6.289 ( 2.675 9.931 0.000) 10.285 6.444 ( 15.283 4.847 0.000) 16.034 6.754 ( 1.808 -2.027 0.000) 2.716 6.769 ( 1.283 2.582 -0.000) 2.883 6.803 ( -4.451 1.433 0.000) 4.676 6.998 ( -1.818 -5.659 0.000) 5.944 7.485 ( -1.523 -8.038 0.000) 8.181 7.814 ( -20.364 1.543 0.000) 20.423 7.926 ( -13.178 -1.871 0.000) 13.310 7.961 ( -4.417 -10.635 -0.000) 11.516 8.130 ( -8.271 0.483 0.000) 8.285 8.694 ( 8.742 -0.914 0.000) 8.790 9.203 ( 1.342 9.674 0.000) 9.767 9.425 ( -10.388 -16.515 0.000) 19.511 9.595 ( -0.046 6.165 0.000) 6.166 9.653 ( 0.899 -13.886 0.000) 13.915 9.892 ( -1.782 -7.951 0.000) 8.148 10.137 ( 2.217 -11.486 0.000) 11.698 11.124 ( 0.864 2.744 0.000) 2.877 11.130 ( 2.756 2.260 -0.000) 3.564 12.182 ( 1.170 27.480 0.000) 27.505 12.667 ( 2.788 17.374 0.000) 17.596 12.847 ( -1.889 1.043 -0.000) 2.158 12.898 ( -4.070 1.887 0.000) 4.486 13.772 ( 3.270 -5.721 0.000) 6.589 14.567 ( 7.634 -3.313 0.000) 8.322 14.862 ( -4.054 1.628 0.000) 4.369 14.896 ( 2.455 -10.815 0.000) 11.090 14.927 ( 4.921 -14.790 0.000) 15.587 15.308 ( 1.732 2.046 0.000) 2.681 15.631 ( -10.237 -5.548 0.000) 11.644 16.429 ( 1.150 3.409 0.000) 3.598 17.054 ( 1.755 -4.457 0.000) 4.790 17.153 ( 2.573 -1.364 0.000) 2.912 17.405 ( 7.363 1.707 0.000) 7.558 17.466 ( -0.149 6.949 -0.000) 6.951 17.980 ( -0.700 5.633 0.000) 5.676 18.669 ( 0.161 -13.896 0.000) 13.897 18.699 ( 1.194 -13.567 0.000) 13.619 19.037 ( -1.407 -8.125 0.000) 8.246 19.571 ( 5.087 3.402 0.000) 6.120 19.944 ( 5.969 1.021 0.000) 6.056 19.952 ( -8.452 6.681 -0.000) 10.774 20.277 ( -5.601 -4.342 0.000) 7.087 21.162 ( 0.577 9.305 0.000) 9.323 21.415 ( 7.857 4.407 0.000) 9.008 21.878 ( -4.177 -6.682 0.000) 7.880 21.984 ( -10.683 -7.487 0.000) 13.045 ======================= Grid point 439 (132/144) ======================= q-point: (-0.50 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.829 ( -0.000 4.251 0.000) 4.251 3.043 ( -0.000 19.831 0.000) 19.831 3.134 ( 0.000 -1.238 0.000) 1.238 3.532 ( -0.000 15.266 0.000) 15.266 3.985 ( 0.000 -3.305 0.000) 3.305 4.506 ( -0.000 -7.144 0.000) 7.144 4.584 ( -0.000 -2.585 0.000) 2.585 5.063 ( 0.000 -21.004 0.000) 21.004 5.680 ( -0.000 12.680 0.000) 12.680 5.686 ( 0.000 2.561 -0.000) 2.561 5.848 ( 0.000 11.371 0.000) 11.371 5.970 ( -0.000 8.639 0.000) 8.639 6.335 ( 0.000 6.799 0.000) 6.799 6.666 ( 0.000 3.077 0.000) 3.077 6.673 ( 0.000 5.759 -0.000) 5.759 6.844 ( 0.000 5.894 0.000) 5.894 6.856 ( -0.000 -1.799 0.000) 1.799 6.898 ( 0.000 -4.394 0.000) 4.394 7.452 ( 0.000 -6.710 0.000) 6.710 7.578 ( -0.000 -3.909 0.000) 3.909 7.809 ( 0.000 -12.153 0.000) 12.153 7.917 ( -0.000 -11.502 -0.000) 11.502 8.032 ( 0.000 5.215 0.000) 5.215 8.794 ( 0.000 0.740 0.000) 0.740 9.216 ( 0.000 10.071 0.000) 10.071 9.306 ( 0.000 -16.837 0.000) 16.837 9.596 ( 0.000 6.692 0.000) 6.692 9.658 ( 0.000 -14.890 0.000) 14.890 9.875 ( 0.000 -6.551 0.000) 6.551 10.160 ( 0.000 -12.756 0.000) 12.756 11.130 ( 0.000 3.328 0.000) 3.328 11.158 ( 0.000 2.710 0.000) 2.710 12.196 ( -0.000 28.165 0.000) 28.165 12.694 ( 0.000 17.535 -0.000) 17.535 12.829 ( 0.000 1.194 0.000) 1.194 12.855 ( 0.000 2.776 0.000) 2.776 13.804 ( 0.000 -5.768 0.000) 5.768 14.635 ( 0.000 -3.343 0.000) 3.343 14.823 ( 0.000 1.494 0.000) 1.494 14.920 ( 0.000 -10.425 0.000) 10.425 14.990 ( 0.000 -17.128 0.000) 17.128 15.354 ( 0.000 13.820 0.000) 13.820 15.493 ( -0.000 -14.488 0.000) 14.488 16.439 ( 0.000 3.758 0.000) 3.758 17.073 ( 0.000 -3.997 0.000) 3.997 17.186 ( 0.000 -0.009 0.000) 0.009 17.442 ( -0.000 10.230 0.000) 10.230 17.478 ( 0.000 2.506 -0.000) 2.506 17.986 ( 0.000 1.431 0.000) 1.431 18.664 ( 0.000 -16.272 0.000) 16.272 18.712 ( 0.000 -14.000 0.000) 14.000 19.026 ( 0.000 -8.512 0.000) 8.512 19.642 ( -0.000 3.850 0.000) 3.850 19.849 ( 0.000 7.275 0.000) 7.275 20.017 ( 0.000 2.161 0.000) 2.161 20.207 ( -0.000 -5.643 0.000) 5.643 21.169 ( 0.000 9.371 0.000) 9.371 21.519 ( -0.000 5.069 0.000) 5.069 21.837 ( 0.000 -6.853 0.000) 6.853 21.852 ( 0.000 -8.440 0.000) 8.440 ======================= Grid point 451 (133/144) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( 0.000 1.908 -2.992) 3.548 2.090 ( 0.000 1.908 2.992) 3.548 2.633 ( 0.000 4.671 -0.736) 4.728 2.633 ( 0.000 4.671 0.736) 4.728 4.119 ( 0.000 4.399 -4.837) 6.539 4.119 ( 0.000 4.399 4.837) 6.539 4.841 ( 0.000 -2.823 -0.361) 2.846 4.841 ( 0.000 -2.823 0.361) 2.846 5.345 ( 0.000 3.105 -8.404) 8.959 5.345 ( 0.000 3.105 8.404) 8.959 6.107 ( 0.000 -5.948 -2.613) 6.496 6.107 ( 0.000 -5.948 2.613) 6.496 6.496 ( 0.000 11.138 -10.538) 15.334 6.496 ( 0.000 11.138 10.538) 15.334 6.869 ( 0.000 -1.220 -9.536) 9.614 6.869 ( 0.000 -1.220 9.536) 9.614 7.536 ( 0.000 -8.687 -8.232) 11.968 7.536 ( 0.000 -8.687 8.232) 11.968 7.889 ( 0.000 4.146 -1.027) 4.271 7.889 ( 0.000 4.146 1.027) 4.271 8.498 ( 0.000 1.658 -9.262) 9.410 8.498 ( 0.000 1.658 9.262) 9.410 8.740 ( 0.000 -1.417 -7.429) 7.563 8.740 ( 0.000 -1.417 7.429) 7.563 9.304 ( 0.000 5.485 -3.263) 6.382 9.304 ( 0.000 5.485 3.263) 6.382 9.770 ( 0.000 -2.686 -0.864) 2.821 9.770 ( 0.000 -2.686 0.864) 2.821 10.007 ( 0.000 -3.984 -2.100) 4.504 10.007 ( 0.000 -3.984 2.100) 4.504 10.799 ( 0.000 -3.184 -5.974) 6.769 10.799 ( 0.000 -3.184 5.974) 6.769 12.682 ( 0.000 18.907 -3.454) 19.219 12.682 ( 0.000 18.907 3.454) 19.219 13.277 ( 0.000 -0.636 -3.609) 3.664 13.277 ( 0.000 -0.636 3.609) 3.664 13.416 ( 0.000 -1.129 -1.330) 1.745 13.416 ( 0.000 -1.129 1.330) 1.745 14.176 ( 0.000 -20.382 -2.816) 20.576 14.176 ( 0.000 -20.382 2.816) 20.576 15.590 ( 0.000 1.819 -6.191) 6.452 15.590 ( 0.000 1.819 6.191) 6.452 15.980 ( 0.000 -2.367 -2.793) 3.661 15.980 ( 0.000 -2.367 2.793) 3.661 16.623 ( 0.000 0.148 -2.933) 2.937 16.623 ( 0.000 0.148 2.933) 2.937 16.922 ( 0.000 -6.114 -7.308) 9.528 16.922 ( 0.000 -6.114 7.308) 9.528 18.215 ( 0.000 -1.725 -2.828) 3.312 18.215 ( 0.000 -1.725 2.828) 3.312 19.219 ( 0.000 8.851 -7.242) 11.436 19.219 ( 0.000 8.851 7.242) 11.436 19.520 ( 0.000 -3.661 -1.782) 4.072 19.520 ( 0.000 -3.661 1.782) 4.072 20.505 ( 0.000 -2.271 -2.069) 3.072 20.505 ( 0.000 -2.271 2.069) 3.072 21.310 ( 0.000 6.360 -4.569) 7.831 21.310 ( 0.000 6.360 4.569) 7.832 22.279 ( 0.000 -4.810 -0.649) 4.854 22.279 ( 0.000 -4.810 0.649) 4.854 ======================= Grid point 453 (134/144) ======================= q-point: ( 0.10 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( 11.687 6.623 0.000) 13.433 2.367 ( 20.077 -1.121 0.000) 20.108 2.722 ( 11.415 5.067 -0.000) 12.489 2.773 ( 14.194 2.540 0.000) 14.420 4.034 ( -5.973 6.054 -0.000) 8.505 4.136 ( -0.918 3.708 0.000) 3.820 4.705 ( -9.469 -1.166 -0.000) 9.540 4.842 ( -2.621 -7.877 -0.000) 8.302 5.377 ( 3.979 4.274 0.000) 5.840 5.427 ( 5.982 2.679 -0.000) 6.555 6.091 ( 0.912 -4.126 0.000) 4.226 6.161 ( 3.312 -6.554 0.000) 7.343 6.472 ( -0.464 12.692 -0.000) 12.701 6.529 ( 1.246 11.453 0.000) 11.520 6.858 ( -0.059 -1.720 0.000) 1.721 6.883 ( 0.171 -2.009 -0.000) 2.017 7.294 ( -16.602 -2.974 0.000) 16.866 7.355 ( -17.561 -4.323 -0.000) 18.085 7.974 ( 9.260 1.395 -0.000) 9.364 8.053 ( 3.940 -0.131 0.000) 3.942 8.218 ( -12.271 0.632 0.000) 12.287 8.358 ( -12.788 -4.235 -0.000) 13.471 8.848 ( 8.798 4.314 0.000) 9.799 9.024 ( 15.585 -3.220 -0.000) 15.914 9.150 ( -13.253 7.991 -0.000) 15.476 9.262 ( -6.526 3.001 0.000) 7.183 9.641 ( -8.113 -2.496 0.000) 8.488 9.730 ( -5.400 -5.954 0.000) 8.038 9.958 ( -2.943 -2.066 -0.000) 3.596 10.032 ( -0.488 -5.531 0.000) 5.553 10.846 ( 4.804 -2.301 -0.000) 5.327 10.867 ( 5.839 -2.608 0.000) 6.395 12.688 ( 0.353 21.943 0.000) 21.946 12.709 ( 2.815 15.672 -0.000) 15.923 13.157 ( -7.167 -0.355 -0.000) 7.176 13.181 ( -9.702 -2.025 0.000) 9.912 13.371 ( 5.385 -1.134 -0.000) 5.503 13.707 ( 15.622 -2.169 0.000) 15.772 14.191 ( 4.429 -20.636 0.000) 21.106 14.294 ( 8.189 -16.588 -0.000) 18.499 15.430 ( -11.310 2.245 0.000) 11.531 15.506 ( -7.820 -0.609 0.000) 7.843 16.049 ( 3.165 0.982 0.000) 3.314 16.127 ( 10.519 -1.326 -0.000) 10.602 16.642 ( 7.162 -1.368 0.000) 7.291 16.720 ( 6.159 -2.832 0.000) 6.779 16.897 ( 0.540 -3.832 -0.000) 3.870 16.976 ( 3.192 -5.703 0.000) 6.535 18.238 ( 3.023 -0.681 0.000) 3.098 18.275 ( 5.017 -2.968 0.000) 5.830 19.054 ( -11.181 9.927 0.000) 14.952 19.270 ( -1.810 5.375 0.000) 5.672 19.447 ( -1.885 -2.412 0.000) 3.061 19.600 ( 4.155 -3.280 0.000) 5.294 20.462 ( -3.923 -1.120 -0.000) 4.080 20.485 ( -2.473 -2.708 0.000) 3.667 21.304 ( -0.134 6.067 -0.000) 6.069 21.310 ( -0.249 5.842 0.000) 5.847 22.191 ( -6.215 -2.672 -0.000) 6.765 22.285 ( -2.147 -6.700 0.000) 7.035 ======================= Grid point 455 (135/144) ======================= q-point: ( 0.20 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( 13.456 8.695 0.000) 16.021 2.678 ( 11.715 0.540 0.000) 11.728 3.130 ( 28.183 3.114 0.000) 28.354 3.175 ( 25.871 1.808 0.000) 25.934 3.901 ( -7.291 7.790 0.000) 10.670 4.098 ( -2.238 2.614 0.000) 3.441 4.522 ( -8.528 -1.712 0.000) 8.698 4.773 ( -4.182 -14.259 -0.000) 14.860 5.476 ( 6.048 4.543 0.000) 7.564 5.535 ( 4.891 3.748 -0.000) 6.162 6.150 ( 4.902 -2.155 0.000) 5.355 6.225 ( 3.054 -4.364 0.000) 5.327 6.481 ( 1.395 14.427 -0.000) 14.494 6.528 ( -1.946 12.550 0.000) 12.700 6.835 ( -8.142 -2.664 0.000) 8.567 6.863 ( -0.036 -3.086 -0.000) 3.087 6.997 ( -10.350 -0.885 -0.000) 10.388 7.014 ( -15.199 -0.567 0.000) 15.209 7.823 ( -16.414 3.474 0.000) 16.777 8.040 ( -7.213 -5.629 0.000) 9.149 8.241 ( 5.032 -4.871 0.000) 7.003 8.242 ( 3.367 -3.121 -0.000) 4.591 8.795 ( -16.001 6.653 -0.000) 17.330 8.812 ( -20.928 6.930 0.000) 22.045 9.213 ( 4.209 2.509 0.000) 4.900 9.272 ( 8.695 -6.305 0.000) 10.740 9.501 ( -7.119 -6.073 0.000) 9.358 9.636 ( -2.634 -5.176 0.000) 5.808 9.885 ( -4.593 -2.265 0.000) 5.121 9.992 ( -2.953 -5.636 0.000) 6.363 10.957 ( 6.301 -0.576 -0.000) 6.327 10.992 ( 6.483 -1.380 0.000) 6.628 12.688 ( -0.271 23.144 0.000) 23.146 12.783 ( 4.551 12.491 -0.000) 13.294 13.025 ( -5.897 0.496 -0.000) 5.918 13.050 ( -4.230 -2.276 0.000) 4.803 13.493 ( 7.059 0.282 0.000) 7.065 14.004 ( 15.157 -5.153 0.000) 16.009 14.311 ( 7.180 -18.171 0.000) 19.538 14.456 ( 8.115 -12.915 -0.000) 15.253 15.215 ( -10.539 3.089 0.000) 10.983 15.360 ( -6.747 -2.696 0.000) 7.266 16.019 ( -5.301 5.390 0.000) 7.560 16.294 ( 5.868 -2.962 0.000) 6.573 16.838 ( 5.367 -4.850 0.000) 7.234 16.875 ( 13.219 -4.489 0.000) 13.960 16.985 ( 9.655 0.176 0.000) 9.656 17.064 ( 7.671 -3.855 0.000) 8.585 18.313 ( 4.153 1.226 0.000) 4.330 18.387 ( 5.886 -4.393 0.000) 7.345 18.797 ( -15.112 9.309 0.000) 17.749 19.141 ( -10.042 -3.369 0.000) 10.592 19.472 ( 3.565 3.407 0.000) 4.931 19.689 ( 5.266 -3.269 0.000) 6.198 20.359 ( -6.531 0.874 -0.000) 6.589 20.416 ( -4.584 -2.899 0.000) 5.424 21.304 ( -0.266 5.377 -0.000) 5.384 21.313 ( 1.317 4.691 0.000) 4.873 22.053 ( -7.848 -1.462 -0.000) 7.983 22.198 ( -6.790 -7.519 0.000) 10.132 ======================= Grid point 457 (136/144) ======================= q-point: ( 0.30 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.668 ( 10.999 6.972 0.000) 13.022 2.871 ( 8.828 0.393 0.000) 8.837 3.556 ( 7.785 12.733 -0.000) 14.924 3.637 ( 17.935 7.061 0.000) 19.275 3.834 ( 5.436 2.539 0.000) 6.000 4.105 ( 5.029 -3.161 0.000) 5.940 4.419 ( -1.165 -3.723 0.000) 3.901 4.692 ( -3.942 -18.471 0.000) 18.887 5.604 ( 7.006 3.893 0.000) 8.015 5.630 ( 5.746 5.788 -0.000) 8.155 6.210 ( -1.851 1.196 0.000) 2.204 6.243 ( -3.088 0.139 0.000) 3.091 6.469 ( -0.629 10.279 -0.000) 10.298 6.523 ( 2.987 14.761 0.000) 15.060 6.642 ( -4.925 -2.257 0.000) 5.418 6.800 ( -3.059 1.300 0.000) 3.324 6.904 ( 0.490 -3.546 0.000) 3.580 6.907 ( -2.883 -1.219 -0.000) 3.130 7.547 ( -11.786 2.620 0.000) 12.074 7.863 ( -8.938 -10.297 0.000) 13.635 8.206 ( -10.432 -2.392 -0.000) 10.703 8.259 ( -16.428 -3.981 -0.000) 16.903 8.410 ( -16.755 6.774 0.000) 18.072 8.515 ( 0.312 2.186 0.000) 2.208 9.276 ( -3.461 -6.677 0.000) 7.521 9.333 ( -0.588 -12.921 0.000) 12.934 9.374 ( -2.071 3.271 0.000) 3.872 9.672 ( 5.034 -0.318 0.000) 5.045 9.791 ( -4.997 -3.260 0.000) 5.967 9.950 ( -0.997 -6.150 0.000) 6.230 11.074 ( 5.552 0.588 0.000) 5.583 11.098 ( 4.298 -0.208 0.000) 4.303 12.691 ( 0.890 22.463 0.000) 22.480 12.866 ( 3.648 9.396 0.000) 10.079 12.944 ( -2.394 2.917 -0.000) 3.774 12.998 ( -1.846 0.751 0.000) 1.993 13.625 ( 6.235 1.921 0.000) 6.524 14.277 ( 12.847 -8.686 0.000) 15.508 14.442 ( 6.042 -15.934 0.000) 17.041 14.593 ( 5.948 -10.724 0.000) 12.263 15.037 ( -7.833 3.894 0.000) 8.748 15.257 ( -3.898 -5.167 0.000) 6.472 15.888 ( -7.595 9.125 0.000) 11.872 16.358 ( 1.608 -6.907 0.000) 7.092 16.929 ( 4.397 -1.359 0.000) 4.602 17.033 ( 5.165 -3.516 0.000) 6.248 17.228 ( 13.732 1.297 0.000) 13.793 17.312 ( 14.933 -2.702 -0.000) 15.175 18.357 ( -2.602 11.374 0.000) 11.668 18.472 ( 2.228 -5.318 0.000) 5.766 18.524 ( -9.751 -1.422 0.000) 9.854 18.939 ( -9.774 -9.419 0.000) 13.574 19.561 ( 5.423 5.511 0.000) 7.732 19.802 ( 6.471 -3.324 0.000) 7.275 20.221 ( -7.617 3.146 0.000) 8.241 20.314 ( -5.897 -3.005 0.000) 6.618 21.306 ( 0.587 5.651 -0.000) 5.681 21.362 ( 3.931 2.665 0.000) 4.749 21.901 ( -7.651 -1.779 -0.000) 7.855 22.036 ( -9.780 -7.226 0.000) 12.160 ======================= Grid point 459 (137/144) ======================= q-point: ( 0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.840 ( 6.520 4.592 0.000) 7.975 3.013 ( 5.735 -1.983 0.000) 6.068 3.517 ( -4.677 18.695 0.000) 19.271 3.801 ( 2.326 11.043 0.000) 11.286 3.977 ( 4.298 3.817 0.000) 5.748 4.272 ( 8.047 -8.194 0.000) 11.484 4.469 ( 4.100 -5.248 0.000) 6.660 4.643 ( -0.895 -19.262 0.000) 19.283 5.716 ( 3.769 3.659 0.000) 5.253 5.765 ( 7.469 5.863 -0.000) 9.495 6.097 ( -5.739 4.227 0.000) 7.128 6.144 ( -4.108 3.151 -0.000) 5.178 6.560 ( 0.304 14.595 0.000) 14.598 6.596 ( 12.457 7.574 0.000) 14.579 6.713 ( 8.617 -0.584 0.000) 8.637 6.794 ( 1.106 0.849 0.000) 1.394 6.846 ( -2.910 1.751 -0.000) 3.396 6.925 ( 1.836 -1.856 0.000) 2.610 7.384 ( -5.170 -1.106 0.000) 5.287 7.717 ( -7.413 -13.000 -0.000) 14.965 7.789 ( -24.759 -2.936 0.000) 24.933 7.833 ( -21.438 -5.462 -0.000) 22.123 8.247 ( -4.533 9.542 0.000) 10.564 8.663 ( 10.092 -3.621 0.000) 10.721 9.094 ( -11.419 -12.222 0.000) 16.726 9.320 ( -0.293 -16.087 0.000) 16.090 9.406 ( 1.849 9.451 0.000) 9.630 9.702 ( -3.511 -0.479 0.000) 3.544 9.764 ( 3.481 -1.362 0.000) 3.737 9.949 ( 0.477 -7.117 0.000) 7.133 11.155 ( 1.774 0.744 0.000) 1.924 11.159 ( 3.182 0.691 0.000) 3.256 12.722 ( 2.068 22.140 0.000) 22.236 12.898 ( -0.033 4.707 0.000) 4.707 12.943 ( 1.550 8.005 -0.000) 8.154 12.965 ( -1.698 4.054 0.000) 4.395 13.719 ( 3.384 2.890 0.000) 4.451 14.478 ( 7.593 -12.608 0.000) 14.718 14.534 ( 3.356 -13.960 0.000) 14.358 14.681 ( 3.174 -9.674 0.000) 10.182 14.921 ( -4.175 4.208 0.000) 5.928 15.213 ( -0.727 -9.099 0.000) 9.128 15.750 ( -6.190 14.320 0.000) 15.601 16.376 ( 0.544 -9.488 0.000) 9.504 17.005 ( 3.184 0.791 0.000) 3.281 17.125 ( 4.376 -2.004 0.000) 4.813 17.458 ( 9.239 3.256 0.000) 9.796 17.542 ( 8.151 0.979 -0.000) 8.209 18.174 ( -10.356 11.562 0.000) 15.522 18.452 ( -3.726 -7.535 0.000) 8.406 18.494 ( 1.514 -5.306 0.000) 5.518 18.814 ( -2.910 -12.680 0.000) 13.010 19.670 ( 5.499 6.027 0.000) 8.159 19.931 ( 6.878 -3.469 0.000) 7.703 20.079 ( -6.711 5.150 0.000) 8.459 20.194 ( -6.589 -2.914 0.000) 7.205 21.326 ( 1.304 6.873 0.000) 6.996 21.467 ( 6.899 0.688 0.000) 6.934 21.773 ( -5.293 -3.397 -0.000) 6.289 21.837 ( -10.503 -6.342 0.000) 12.269 ======================= Grid point 461 (138/144) ======================= q-point: (-0.50 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.905 ( 0.000 3.512 0.000) 3.512 3.073 ( -0.000 -4.287 0.000) 4.287 3.465 ( 0.000 20.802 0.000) 20.802 3.816 ( -0.000 10.724 0.000) 10.724 4.012 ( 0.000 5.295 0.000) 5.295 4.344 ( -0.000 -8.618 0.000) 8.618 4.510 ( 0.000 -4.740 0.000) 4.740 4.640 ( 0.000 -18.682 0.000) 18.682 5.746 ( 0.000 3.415 0.000) 3.415 5.843 ( -0.000 2.284 -0.000) 2.284 6.059 ( 0.000 8.180 0.000) 8.180 6.110 ( -0.000 4.575 -0.000) 4.575 6.554 ( 0.000 13.241 0.000) 13.241 6.785 ( -0.000 6.687 0.000) 6.687 6.787 ( 0.000 5.012 -0.000) 5.012 6.800 ( 0.000 -4.552 0.000) 4.552 6.859 ( -0.000 3.801 -0.000) 3.801 6.990 ( 0.000 9.016 0.000) 9.016 7.338 ( 0.000 -4.405 0.000) 4.405 7.418 ( -0.000 -12.093 0.000) 12.093 7.580 ( 0.000 -9.746 0.000) 9.746 7.673 ( 0.000 -11.603 -0.000) 11.603 8.201 ( 0.000 11.397 0.000) 11.397 8.842 ( 0.000 4.631 0.000) 4.631 8.901 ( 0.000 -21.083 0.000) 21.083 9.319 ( 0.000 -17.197 0.000) 17.197 9.423 ( 0.000 9.211 0.000) 9.211 9.665 ( 0.000 -1.130 0.000) 1.130 9.799 ( 0.000 0.108 0.000) 0.108 9.956 ( 0.000 -7.365 0.000) 7.365 11.171 ( 0.000 1.144 0.000) 1.144 11.191 ( 0.000 0.548 0.000) 0.548 12.748 ( -0.000 22.353 0.000) 22.353 12.897 ( 0.000 4.870 0.000) 4.870 12.944 ( 0.000 5.211 -0.000) 5.211 12.960 ( 0.000 8.154 0.000) 8.154 13.752 ( 0.000 3.154 0.000) 3.154 14.558 ( 0.000 -24.828 0.000) 24.828 14.561 ( -0.000 -2.698 0.000) 2.698 14.712 ( 0.000 -9.373 0.000) 9.373 14.880 ( 0.000 4.253 0.000) 4.253 15.212 ( 0.000 -12.370 0.000) 12.370 15.683 ( 0.000 18.194 0.000) 18.194 16.382 ( 0.000 -10.344 0.000) 10.344 17.038 ( 0.000 1.667 0.000) 1.667 17.175 ( 0.000 -1.724 0.000) 1.724 17.551 ( 0.000 4.516 0.000) 4.516 17.617 ( -0.000 5.567 -0.000) 5.567 18.067 ( 0.000 6.225 0.000) 6.225 18.401 ( 0.000 -10.202 0.000) 10.202 18.512 ( 0.000 -4.247 0.000) 4.247 18.794 ( -0.000 -12.653 0.000) 12.653 19.736 ( 0.000 5.693 0.000) 5.693 20.001 ( 0.000 6.315 0.000) 6.315 20.056 ( 0.000 -8.630 0.000) 8.630 20.071 ( -0.000 2.247 0.000) 2.247 21.342 ( 0.000 7.948 0.000) 7.948 21.593 ( -0.000 2.649 0.000) 2.649 21.676 ( 0.000 -8.681 0.000) 8.681 21.718 ( 0.000 -4.688 0.000) 4.688 ======================= Grid point 473 (139/144) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( 0.000 0.000 0.000) 0.000 2.112 ( 0.000 0.000 0.000) 0.000 2.683 ( 0.000 0.000 0.000) 0.000 2.683 ( 0.000 0.000 0.000) 0.000 4.159 ( 0.000 0.000 0.000) 0.000 4.159 ( 0.000 0.000 0.000) 0.000 4.819 ( 0.000 -0.000 -0.000) 0.000 4.819 ( 0.000 0.000 -0.000) 0.000 5.378 ( 0.000 0.000 -0.000) 0.000 5.378 ( 0.000 0.000 0.000) 0.000 6.043 ( 0.000 0.000 0.000) 0.000 6.043 ( 0.000 0.000 0.000) 0.000 6.639 ( 0.000 0.000 0.000) 0.000 6.639 ( 0.000 0.000 -0.000) 0.000 6.833 ( 0.000 0.000 -0.000) 0.000 6.833 ( 0.000 0.000 0.000) 0.000 7.438 ( 0.000 0.000 0.000) 0.000 7.438 ( 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 8.519 ( 0.000 0.000 0.000) 0.000 8.519 ( 0.000 0.000 0.000) 0.000 8.720 ( 0.000 0.000 -0.000) 0.000 8.720 ( 0.000 0.000 0.000) 0.000 9.366 ( 0.000 0.000 0.000) 0.000 9.366 ( 0.000 0.000 0.000) 0.000 9.743 ( 0.000 0.000 0.000) 0.000 9.743 ( 0.000 0.000 0.000) 0.000 9.966 ( 0.000 0.000 0.000) 0.000 9.966 ( 0.000 0.000 0.000) 0.000 10.767 ( 0.000 0.000 0.000) 0.000 10.767 ( 0.000 0.000 0.000) 0.000 12.932 ( 0.000 -0.000 0.000) 0.000 12.932 ( 0.000 0.000 0.000) 0.000 13.208 ( 0.000 -0.000 0.000) 0.000 13.208 ( 0.000 0.000 0.000) 0.000 13.460 ( 0.000 0.000 0.000) 0.000 13.460 ( 0.000 0.000 0.000) 0.000 13.915 ( 0.000 0.000 0.000) 0.000 13.915 ( 0.000 0.000 0.000) 0.000 15.610 ( 0.000 0.000 -0.000) 0.000 15.610 ( 0.000 0.000 0.000) 0.000 15.956 ( 0.000 0.000 0.000) 0.000 15.956 ( 0.000 0.000 0.000) 0.000 16.632 ( 0.000 0.000 -0.000) 0.000 16.632 ( 0.000 0.000 0.000) 0.000 16.851 ( 0.000 0.000 0.000) 0.000 16.851 ( 0.000 0.000 0.000) 0.000 18.195 ( 0.000 0.000 -0.000) 0.000 18.195 ( 0.000 0.000 0.000) 0.000 19.363 ( 0.000 0.000 -0.000) 0.000 19.363 ( 0.000 0.000 -0.000) 0.000 19.433 ( 0.000 0.000 0.000) 0.000 19.433 ( 0.000 0.000 0.000) 0.000 20.480 ( 0.000 0.000 0.000) 0.000 20.480 ( 0.000 0.000 0.000) 0.000 21.374 ( 0.000 0.000 -0.000) 0.000 21.374 ( 0.000 0.000 0.000) 0.000 22.230 ( 0.000 0.000 -0.000) 0.000 22.230 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 477 (140/144) ======================= q-point: ( 0.10 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( 16.683 -5.167 0.000) 17.465 2.300 ( 16.683 5.167 0.000) 17.465 2.788 ( 11.891 -1.222 0.000) 11.954 2.788 ( 11.891 1.222 0.000) 11.954 4.135 ( -2.518 -3.282 0.000) 4.137 4.135 ( -2.518 3.282 0.000) 4.137 4.728 ( -8.186 -3.354 0.000) 8.846 4.728 ( -8.186 3.354 -0.000) 8.846 5.440 ( 5.347 -1.434 0.000) 5.536 5.440 ( 5.347 1.434 0.000) 5.536 6.069 ( 2.828 -1.993 0.000) 3.459 6.069 ( 2.828 1.993 0.000) 3.459 6.658 ( 1.969 -2.454 0.000) 3.146 6.658 ( 1.969 2.454 -0.000) 3.146 6.823 ( -1.216 -1.516 0.000) 1.943 6.823 ( -1.216 1.516 0.000) 1.943 7.277 ( -14.065 -1.951 0.000) 14.200 7.277 ( -14.065 1.951 -0.000) 14.200 8.022 ( 6.501 -2.590 0.000) 6.998 8.022 ( 6.501 2.590 0.000) 6.998 8.269 ( -15.672 -3.951 0.000) 16.162 8.269 ( -15.672 3.951 -0.000) 16.162 8.935 ( 11.684 -4.335 0.000) 12.462 8.935 ( 11.684 4.335 0.000) 12.462 9.272 ( -9.383 -2.664 0.000) 9.754 9.272 ( -9.383 2.664 0.000) 9.754 9.642 ( -8.047 -2.453 0.000) 8.413 9.642 ( -8.047 2.453 0.000) 8.413 9.957 ( -1.620 -1.848 0.000) 2.458 9.957 ( -1.620 1.848 0.000) 2.458 10.832 ( 6.027 -0.751 0.000) 6.074 10.832 ( 6.027 0.751 0.000) 6.074 12.939 ( 0.774 -2.985 0.000) 3.083 12.939 ( 0.774 2.985 0.000) 3.083 13.127 ( -7.007 -0.809 0.000) 7.053 13.127 ( -7.007 0.809 0.000) 7.053 13.519 ( 6.456 -14.683 0.000) 16.040 13.519 ( 6.456 14.683 0.000) 16.040 14.036 ( 10.396 -6.522 0.000) 12.272 14.036 ( 10.396 6.522 0.000) 12.272 15.475 ( -10.093 -2.089 -0.000) 10.307 15.475 ( -10.093 2.089 0.000) 10.307 16.089 ( 8.595 -2.292 0.000) 8.896 16.089 ( 8.595 2.292 0.000) 8.896 16.655 ( 3.838 -2.571 -0.000) 4.619 16.655 ( 3.838 2.571 0.000) 4.619 16.890 ( 3.793 -2.522 0.000) 4.555 16.890 ( 3.793 2.522 0.000) 4.555 18.235 ( 3.890 -0.818 0.000) 3.975 18.235 ( 3.890 0.818 0.000) 3.975 19.242 ( -9.894 -7.404 0.000) 12.358 19.242 ( -9.894 7.404 -0.000) 12.358 19.497 ( 4.127 -6.039 0.000) 7.315 19.497 ( 4.127 6.039 0.000) 7.315 20.452 ( -2.828 -0.447 0.000) 2.863 20.452 ( -2.828 0.447 0.000) 2.863 21.368 ( -0.556 -0.156 0.000) 0.577 21.368 ( -0.556 0.156 0.000) 0.577 22.190 ( -4.083 -2.486 0.000) 4.780 22.190 ( -4.083 2.486 0.000) 4.780 ======================= Grid point 481 (141/144) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.602 ( 12.896 -7.113 0.000) 14.728 2.602 ( 12.896 7.113 0.000) 14.728 3.176 ( 27.309 -1.352 0.000) 27.343 3.176 ( 27.309 1.352 -0.000) 27.343 4.068 ( -4.176 -6.138 0.000) 7.424 4.068 ( -4.176 6.138 0.000) 7.424 4.554 ( -9.020 -5.974 0.000) 10.818 4.554 ( -9.020 5.974 -0.000) 10.818 5.550 ( 5.887 -2.048 0.000) 6.233 5.550 ( 5.887 2.048 0.000) 6.233 6.151 ( 5.428 -2.276 0.000) 5.886 6.151 ( 5.428 2.276 0.000) 5.886 6.704 ( 1.804 -0.944 0.000) 2.036 6.704 ( 1.803 0.944 -0.000) 2.036 6.766 ( -5.334 -1.199 0.000) 5.467 6.766 ( -5.334 1.199 -0.000) 5.467 6.997 ( -12.224 -0.822 -0.000) 12.252 6.997 ( -12.224 0.822 -0.000) 12.252 7.922 ( -14.525 -5.817 -0.000) 15.647 7.922 ( -14.525 5.817 0.000) 15.647 8.196 ( 5.115 -0.670 0.000) 5.158 8.196 ( 5.115 0.670 -0.000) 5.158 8.874 ( -18.874 -0.894 0.000) 18.896 8.874 ( -18.874 0.894 0.000) 18.896 9.211 ( 3.357 -0.595 0.000) 3.410 9.211 ( 3.357 0.595 -0.000) 3.410 9.515 ( -3.454 -5.552 0.000) 6.539 9.515 ( -3.454 5.552 0.000) 6.539 9.902 ( -3.664 -3.083 0.000) 4.788 9.902 ( -3.664 3.083 -0.000) 4.788 10.965 ( 7.160 -1.120 0.000) 7.247 10.965 ( 7.160 1.120 0.000) 7.247 12.964 ( 1.727 -3.113 -0.000) 3.560 12.964 ( 1.727 3.113 0.000) 3.560 13.003 ( -4.952 -2.731 0.000) 5.655 13.003 ( -4.952 2.731 0.000) 5.655 13.683 ( 9.794 -18.760 0.000) 21.163 13.683 ( 9.794 18.760 0.000) 21.163 14.244 ( 10.349 -6.922 0.000) 12.450 14.244 ( 10.349 6.922 0.000) 12.450 15.288 ( -9.014 -3.896 -0.000) 9.820 15.288 ( -9.014 3.896 0.000) 9.820 16.171 ( -0.028 -8.155 0.000) 8.155 16.171 ( -0.028 8.155 0.000) 8.155 16.807 ( 10.039 -1.537 0.000) 10.156 16.807 ( 10.039 1.537 0.000) 10.156 17.007 ( 9.520 -1.893 0.000) 9.707 17.007 ( 9.520 1.893 0.000) 9.707 18.327 ( 5.173 -1.418 0.000) 5.364 18.327 ( 5.173 1.418 0.000) 5.364 19.004 ( -14.514 -9.408 0.000) 17.296 19.004 ( -14.514 9.408 0.000) 17.296 19.584 ( 5.061 -6.338 0.000) 8.110 19.584 ( 5.061 6.338 0.000) 8.110 20.376 ( -4.948 -1.113 0.000) 5.072 20.376 ( -4.948 1.113 0.000) 5.072 21.360 ( 0.039 -0.186 0.000) 0.190 21.360 ( 0.039 0.186 0.000) 0.190 22.079 ( -7.293 -3.841 0.000) 8.243 22.079 ( -7.293 3.841 0.000) 8.243 ======================= Grid point 485 (142/144) ======================= q-point: ( 0.30 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.805 ( 8.704 -5.832 0.000) 10.477 2.805 ( 8.704 5.832 0.000) 10.477 3.696 ( 22.223 -1.389 0.000) 22.266 3.696 ( 22.223 1.389 0.000) 22.266 3.999 ( -1.511 -9.049 0.000) 9.174 3.999 ( -1.511 9.049 0.000) 9.174 4.414 ( -4.660 -6.025 0.000) 7.617 4.414 ( -4.660 6.025 -0.000) 7.617 5.669 ( 6.624 -1.591 0.000) 6.813 5.669 ( 6.624 1.591 0.000) 6.813 6.229 ( -0.038 -1.080 0.000) 1.080 6.229 ( -0.038 1.080 0.000) 1.080 6.594 ( -4.339 -2.715 0.000) 5.118 6.594 ( -4.339 2.715 0.000) 5.118 6.777 ( 3.078 -8.114 0.000) 8.678 6.777 ( 3.078 8.114 0.000) 8.678 6.868 ( -2.964 -2.440 0.000) 3.839 6.868 ( -2.964 2.440 -0.000) 3.839 7.663 ( -11.858 -8.520 0.000) 14.602 7.663 ( -11.858 8.520 0.000) 14.602 8.191 ( -12.160 -1.395 -0.000) 12.240 8.191 ( -12.160 1.395 -0.000) 12.240 8.516 ( -10.588 -2.835 0.000) 10.961 8.516 ( -10.588 2.835 0.000) 10.961 9.172 ( -6.129 -1.367 0.000) 6.279 9.172 ( -6.129 1.367 0.000) 6.279 9.540 ( 3.725 -8.857 0.000) 9.609 9.540 ( 3.725 8.857 0.000) 9.609 9.841 ( -2.083 -4.696 0.000) 5.137 9.841 ( -2.083 4.696 0.000) 5.137 11.087 ( 5.320 -0.695 0.000) 5.365 11.087 ( 5.320 0.695 0.000) 5.365 12.949 ( -0.824 -2.406 0.000) 2.544 12.949 ( -0.824 2.406 0.000) 2.544 12.998 ( 1.606 -1.451 0.000) 2.165 12.998 ( 1.606 1.451 0.000) 2.165 13.864 ( 8.473 -21.126 0.000) 22.762 13.864 ( 8.473 21.126 0.000) 22.762 14.417 ( 7.539 -5.838 0.000) 9.535 14.417 ( 7.539 5.838 0.000) 9.535 15.137 ( -6.612 -5.795 0.000) 8.793 15.137 ( -6.612 5.795 0.000) 8.793 16.135 ( -2.778 -13.280 0.000) 13.568 16.135 ( -2.778 13.280 0.000) 13.568 16.960 ( 6.223 -3.328 0.000) 7.057 16.960 ( 6.224 3.328 0.000) 7.057 17.263 ( 15.202 -2.085 0.000) 15.345 17.263 ( 15.202 2.085 0.000) 15.345 18.412 ( 2.735 -0.721 0.000) 2.828 18.412 ( 2.735 0.721 0.000) 2.828 18.711 ( -14.767 -12.619 0.000) 19.425 18.711 ( -14.767 12.619 0.000) 19.425 19.692 ( 6.109 -6.729 0.000) 9.089 19.692 ( 6.109 6.729 0.000) 9.089 20.268 ( -6.052 -1.848 0.000) 6.328 20.268 ( -6.052 1.848 0.000) 6.328 21.378 ( 1.931 -1.325 0.000) 2.342 21.378 ( 1.931 1.325 0.000) 2.342 21.921 ( -8.893 -3.610 0.000) 9.598 21.921 ( -8.893 3.610 0.000) 9.598 ======================= Grid point 489 (143/144) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.936 ( 4.768 -4.684 0.000) 6.683 2.936 ( 4.768 4.684 0.000) 6.683 3.849 ( -1.134 -9.628 0.000) 9.695 3.849 ( -1.134 9.628 0.000) 9.695 4.103 ( 7.016 -7.835 0.000) 10.517 4.103 ( 7.016 7.835 0.000) 10.517 4.397 ( 2.262 -1.735 0.000) 2.851 4.397 ( 2.262 1.735 -0.000) 2.851 5.787 ( 4.328 -2.505 0.000) 5.001 5.787 ( 4.328 2.505 0.000) 5.001 6.159 ( -2.918 -1.498 0.000) 3.280 6.159 ( -2.918 1.498 0.000) 3.280 6.665 ( 7.060 -0.437 0.000) 7.074 6.665 ( 7.060 0.437 -0.000) 7.074 6.842 ( 1.397 -1.119 0.000) 1.790 6.842 ( 1.398 1.119 0.000) 1.790 6.852 ( 5.697 -4.194 -0.000) 7.074 6.852 ( 5.696 4.193 0.000) 7.073 7.469 ( -9.226 -9.552 0.000) 13.280 7.469 ( -9.226 9.552 -0.000) 13.280 7.757 ( -25.389 -1.049 0.000) 25.410 7.757 ( -25.389 1.049 0.000) 25.410 8.482 ( 1.341 -12.476 0.000) 12.548 8.482 ( 1.341 12.476 0.000) 12.548 9.057 ( -4.744 -7.840 0.000) 9.163 9.057 ( -4.744 7.840 0.000) 9.163 9.582 ( 0.423 -7.699 0.000) 7.711 9.582 ( 0.423 7.699 0.000) 7.711 9.834 ( 0.920 -4.630 0.000) 4.721 9.834 ( 0.920 4.630 0.000) 4.721 11.163 ( 2.594 -0.157 0.000) 2.599 11.163 ( 2.594 0.157 0.000) 2.599 12.956 ( 1.099 -1.378 0.000) 1.763 12.956 ( 1.099 1.378 0.000) 1.763 13.020 ( 0.613 -0.164 0.000) 0.635 13.020 ( 0.613 0.164 0.000) 0.635 13.992 ( 4.610 -22.841 0.000) 23.302 13.992 ( 4.610 22.841 0.000) 23.302 14.529 ( 4.060 -4.519 0.000) 6.075 14.529 ( 4.060 4.519 0.000) 6.075 15.038 ( -3.549 -7.374 0.000) 8.184 15.038 ( -3.549 7.374 0.000) 8.184 16.087 ( -1.907 -17.031 0.000) 17.138 16.087 ( -1.907 17.031 0.000) 17.138 17.063 ( 4.442 -3.733 0.000) 5.802 17.063 ( 4.442 3.733 0.000) 5.802 17.522 ( 10.819 -2.580 0.000) 11.122 17.522 ( 10.819 2.580 0.000) 11.122 18.341 ( -9.926 -4.394 0.000) 10.855 18.341 ( -9.926 4.395 0.000) 10.855 18.556 ( -0.468 -11.043 0.000) 11.053 18.556 ( -0.468 11.043 0.000) 11.053 19.809 ( 5.732 -7.294 0.000) 9.277 19.809 ( 5.732 7.294 0.000) 9.277 20.152 ( -5.719 -2.162 0.000) 6.114 20.152 ( -5.719 2.162 0.000) 6.114 21.437 ( 4.176 -3.705 0.000) 5.582 21.437 ( 4.176 3.705 0.000) 5.582 21.751 ( -8.317 -1.584 0.000) 8.467 21.751 ( -8.317 1.584 0.000) 8.467 ======================= Grid point 493 (144/144) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.982 ( 0.000 -4.222 0.000) 4.222 2.982 ( 0.000 4.222 0.000) 4.222 3.830 ( 0.000 -11.753 0.000) 11.753 3.830 ( 0.000 11.753 0.000) 11.753 4.163 ( 0.000 -8.762 0.000) 8.762 4.163 ( 0.000 8.762 0.000) 8.762 4.429 ( 0.000 -0.088 -0.000) 0.088 4.429 ( 0.000 0.088 0.000) 0.088 5.819 ( 0.000 -3.229 0.000) 3.229 5.819 ( 0.000 3.229 0.000) 3.229 6.151 ( 0.000 -0.859 0.000) 0.859 6.151 ( 0.000 0.859 -0.000) 0.859 6.720 ( -0.000 -3.847 -0.000) 3.847 6.720 ( 0.000 3.847 0.000) 3.847 6.853 ( 0.000 -0.522 0.000) 0.522 6.853 ( 0.000 0.522 0.000) 0.522 7.102 ( 0.000 -17.380 0.000) 17.380 7.102 ( 0.000 17.380 0.000) 17.380 7.205 ( -0.000 -10.176 0.000) 10.176 7.205 ( -0.000 10.176 0.000) 10.176 7.499 ( -0.000 -3.596 0.000) 3.596 7.499 ( -0.000 3.596 -0.000) 3.596 8.497 ( 0.000 -17.627 0.000) 17.627 8.497 ( 0.000 17.627 0.000) 17.627 9.010 ( 0.000 -12.095 0.000) 12.095 9.010 ( 0.000 12.095 0.000) 12.095 9.581 ( 0.000 -6.136 0.000) 6.136 9.581 ( 0.000 6.136 0.000) 6.136 9.847 ( 0.000 -3.698 0.000) 3.698 9.847 ( 0.000 3.698 0.000) 3.698 11.188 ( 0.000 -0.578 0.000) 0.578 11.188 ( 0.000 0.578 0.000) 0.578 12.971 ( 0.000 -0.261 0.000) 0.261 12.971 ( 0.000 0.261 0.000) 0.261 13.024 ( 0.000 -1.408 0.000) 1.408 13.024 ( 0.000 1.408 0.000) 1.408 14.037 ( 0.000 -23.529 0.000) 23.529 14.037 ( 0.000 23.529 0.000) 23.529 14.569 ( 0.000 -3.964 0.000) 3.964 14.569 ( 0.000 3.964 0.000) 3.964 15.004 ( 0.000 -8.060 0.000) 8.060 15.004 ( 0.000 8.060 0.000) 8.060 16.068 ( 0.000 -18.562 0.000) 18.562 16.068 ( 0.000 18.562 0.000) 18.562 17.111 ( 0.000 -4.190 0.000) 4.190 17.111 ( 0.000 4.190 0.000) 4.190 17.638 ( 0.000 -2.882 0.000) 2.882 17.638 ( 0.000 2.882 0.000) 2.882 18.218 ( 0.000 -8.200 0.000) 8.200 18.218 ( 0.000 8.200 0.000) 8.200 18.564 ( 0.000 -8.506 0.000) 8.506 18.564 ( 0.000 8.506 0.000) 8.506 19.879 ( 0.000 -8.215 0.000) 8.215 19.879 ( 0.000 8.215 0.000) 8.215 20.082 ( 0.000 -1.569 0.000) 1.569 20.082 ( 0.000 1.569 0.000) 1.569 21.504 ( 0.000 -8.130 0.000) 8.130 21.504 ( 0.000 8.130 0.000) 8.130 21.644 ( 0.000 -2.760 0.000) 2.760 21.644 ( 0.000 2.760 0.000) 2.760 =================== 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 3/36000 10.0 5998.283 3528.206 3176.748 0.000 0.000 -0.000 3/36000 20.0 1486.627 1240.805 1889.703 0.000 0.000 -0.000 3/36000 30.0 595.089 427.477 672.404 0.000 0.000 -0.000 3/36000 40.0 260.295 179.018 285.059 0.000 0.000 -0.000 3/36000 50.0 135.509 91.644 145.997 0.000 0.000 -0.000 3/36000 60.0 81.967 54.932 87.329 0.000 0.000 -0.000 3/36000 70.0 55.382 36.936 58.560 0.000 0.000 -0.000 3/36000 80.0 40.525 26.966 42.629 0.000 0.000 -0.000 3/36000 90.0 31.420 20.895 32.929 0.000 0.000 -0.000 3/36000 100.0 25.424 16.917 26.569 0.000 0.000 -0.000 3/36000 110.0 21.244 14.156 22.148 0.000 0.000 -0.000 3/36000 120.0 18.195 12.150 18.930 0.000 0.000 -0.000 3/36000 130.0 15.889 10.639 16.499 0.000 0.000 -0.000 3/36000 140.0 14.092 9.466 14.606 0.000 0.000 -0.000 3/36000 150.0 12.657 8.531 13.096 0.000 0.000 -0.000 3/36000 160.0 11.487 7.772 11.865 0.000 0.000 -0.000 3/36000 170.0 10.518 7.143 10.845 0.000 0.000 -0.000 3/36000 180.0 9.701 6.615 9.986 0.000 0.000 -0.000 3/36000 190.0 9.005 6.165 9.254 0.000 0.000 -0.000 3/36000 200.0 8.405 5.776 8.623 0.000 0.000 -0.000 3/36000 210.0 7.883 5.438 8.074 0.000 0.000 -0.000 3/36000 220.0 7.424 5.141 7.592 0.000 0.000 -0.000 3/36000 230.0 7.017 4.877 7.166 0.000 0.000 -0.000 3/36000 240.0 6.655 4.642 6.786 0.000 0.000 -0.000 3/36000 250.0 6.330 4.430 6.445 0.000 0.000 -0.000 3/36000 260.0 6.037 4.238 6.138 0.000 0.000 -0.000 3/36000 270.0 5.771 4.064 5.860 0.000 0.000 -0.000 3/36000 280.0 5.528 3.904 5.607 0.000 0.000 -0.000 3/36000 290.0 5.306 3.758 5.375 0.000 0.000 -0.000 3/36000 300.0 5.102 3.623 5.163 0.000 0.000 -0.000 3/36000 310.0 4.914 3.498 4.967 0.000 0.000 -0.000 3/36000 320.0 4.740 3.382 4.786 0.000 0.000 -0.000 3/36000 330.0 4.578 3.274 4.618 0.000 0.000 -0.000 3/36000 340.0 4.428 3.173 4.462 0.000 0.000 -0.000 3/36000 350.0 4.287 3.079 4.317 0.000 0.000 -0.000 3/36000 360.0 4.156 2.990 4.181 0.000 0.000 -0.000 3/36000 370.0 4.033 2.906 4.053 0.000 0.000 -0.000 3/36000 380.0 3.917 2.828 3.934 0.000 0.000 -0.000 3/36000 390.0 3.808 2.753 3.821 0.000 0.000 -0.000 3/36000 400.0 3.705 2.683 3.715 0.000 0.000 -0.000 3/36000 410.0 3.607 2.616 3.615 0.000 0.000 -0.000 3/36000 420.0 3.515 2.553 3.520 0.000 0.000 -0.000 3/36000 430.0 3.428 2.492 3.431 0.000 0.000 -0.000 3/36000 440.0 3.344 2.435 3.346 0.000 0.000 -0.000 3/36000 450.0 3.265 2.380 3.265 0.000 0.000 -0.000 3/36000 460.0 3.190 2.328 3.188 0.000 0.000 -0.000 3/36000 470.0 3.118 2.278 3.115 0.000 0.000 -0.000 3/36000 480.0 3.050 2.230 3.045 0.000 0.000 -0.000 3/36000 490.0 2.984 2.184 2.978 0.000 0.000 -0.000 3/36000 500.0 2.922 2.141 2.914 0.000 0.000 -0.000 3/36000 510.0 2.862 2.098 2.853 0.000 0.000 -0.000 3/36000 520.0 2.804 2.058 2.795 0.000 0.000 -0.000 3/36000 530.0 2.749 2.019 2.739 0.000 0.000 -0.000 3/36000 540.0 2.696 1.982 2.685 0.000 0.000 -0.000 3/36000 550.0 2.645 1.946 2.633 0.000 0.000 -0.000 3/36000 560.0 2.596 1.911 2.583 0.000 0.000 -0.000 3/36000 570.0 2.549 1.877 2.536 0.000 0.000 -0.000 3/36000 580.0 2.503 1.845 2.490 0.000 0.000 -0.000 3/36000 590.0 2.459 1.814 2.445 0.000 0.000 -0.000 3/36000 600.0 2.417 1.783 2.402 0.000 0.000 -0.000 3/36000 610.0 2.376 1.754 2.361 0.000 0.000 -0.000 3/36000 620.0 2.337 1.726 2.321 0.000 0.000 -0.000 3/36000 630.0 2.299 1.699 2.283 0.000 0.000 -0.000 3/36000 640.0 2.262 1.672 2.246 0.000 0.000 -0.000 3/36000 650.0 2.226 1.647 2.210 0.000 0.000 -0.000 3/36000 660.0 2.191 1.622 2.175 0.000 0.000 -0.000 3/36000 670.0 2.158 1.598 2.141 0.000 0.000 -0.000 3/36000 680.0 2.125 1.574 2.108 0.000 0.000 -0.000 3/36000 690.0 2.094 1.551 2.077 0.000 0.000 -0.000 3/36000 700.0 2.063 1.529 2.046 0.000 0.000 -0.000 3/36000 710.0 2.033 1.508 2.016 0.000 0.000 -0.000 3/36000 720.0 2.004 1.487 1.987 0.000 0.000 -0.000 3/36000 730.0 1.976 1.467 1.959 0.000 0.000 -0.000 3/36000 740.0 1.949 1.447 1.932 0.000 0.000 -0.000 3/36000 750.0 1.923 1.428 1.905 0.000 0.000 -0.000 3/36000 760.0 1.897 1.409 1.879 0.000 0.000 -0.000 3/36000 770.0 1.872 1.391 1.854 0.000 0.000 -0.000 3/36000 780.0 1.847 1.373 1.830 0.000 0.000 -0.000 3/36000 790.0 1.824 1.356 1.806 0.000 0.000 -0.000 3/36000 800.0 1.800 1.339 1.783 0.000 0.000 -0.000 3/36000 810.0 1.778 1.323 1.760 0.000 0.000 -0.000 3/36000 820.0 1.756 1.306 1.738 0.000 0.000 -0.000 3/36000 830.0 1.734 1.291 1.717 0.000 0.000 -0.000 3/36000 840.0 1.713 1.276 1.696 0.000 0.000 -0.000 3/36000 850.0 1.693 1.261 1.675 0.000 0.000 -0.000 3/36000 860.0 1.673 1.246 1.655 0.000 0.000 -0.000 3/36000 870.0 1.653 1.232 1.636 0.000 0.000 -0.000 3/36000 880.0 1.634 1.218 1.617 0.000 0.000 -0.000 3/36000 890.0 1.616 1.204 1.598 0.000 0.000 -0.000 3/36000 900.0 1.598 1.191 1.580 0.000 0.000 -0.000 3/36000 910.0 1.580 1.178 1.562 0.000 0.000 -0.000 3/36000 920.0 1.562 1.165 1.545 0.000 0.000 -0.000 3/36000 930.0 1.545 1.153 1.528 0.000 0.000 -0.000 3/36000 940.0 1.529 1.140 1.511 0.000 0.000 -0.000 3/36000 950.0 1.513 1.129 1.495 0.000 0.000 -0.000 3/36000 960.0 1.497 1.117 1.479 0.000 0.000 -0.000 3/36000 970.0 1.481 1.105 1.464 0.000 0.000 -0.000 3/36000 980.0 1.466 1.094 1.449 0.000 0.000 -0.000 3/36000 990.0 1.451 1.083 1.434 0.000 0.000 -0.000 3/36000 1000.0 1.436 1.072 1.419 0.000 0.000 -0.000 3/36000 Thermal conductivity related properties were written into "kappa-m10106.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:38:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|