----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 15:08:33]------------------------- 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: [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-42_1m (113) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.602496420000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.602496420000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.113308440000000 Atomic positions (fractional): *1 Ca 0.34502616244351 0.84502616244351 0.48378641925225 40.078 2 Ca 0.65497383755649 0.15497383755649 0.48378641925225 40.078 3 Ca 0.84502616244351 0.65497383755649 0.51621358074775 40.078 4 Ca 0.15497383755649 0.34502616244351 0.51621358074775 40.078 *5 Al 0.14460279982788 0.64460279982788 0.02536801167140 26.982 6 Al 0.85539720017212 0.35539720017212 0.02536801167140 26.982 7 Al 0.64460279982788 0.85539720017212 0.97463198832860 26.982 8 Al 0.35539720017212 0.14460279982788 0.97463198832860 26.982 *9 Si 0.00000000000000 0.00000000000000 0.00000000000000 28.085 10 Si 0.50000000000000 0.50000000000000 0.00000000000000 28.085 *11 O 0.14487796525093 0.64487796525093 0.68829126244730 15.999 *12 O 0.65034074763488 0.40475538572538 0.18108962541822 15.999 13 O 0.85512203474907 0.35512203474907 0.68829126244730 15.999 14 O 0.40475538572538 0.34965925236512 0.81891037458178 15.999 15 O 0.35512203474907 0.14487796525093 0.31170873755270 15.999 16 O 0.59524461427462 0.65034074763488 0.81891037458178 15.999 17 O 0.09524461427462 0.84965925236512 0.18108962541822 15.999 *18 O 0.00000000000000 0.50000000000000 0.18073640811267 15.999 19 O 0.50000000000000 0.00000000000000 0.81926359188733 15.999 20 O 0.90475538572538 0.15034074763488 0.18108962541822 15.999 21 O 0.15034074763488 0.09524461427462 0.81891037458178 15.999 22 O 0.64487796525093 0.85512203474907 0.31170873755270 15.999 23 O 0.84965925236512 0.90475538572538 0.81891037458178 15.999 24 O 0.34965925236512 0.59524461427462 0.18108962541822 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.602496420000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.602496420000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.113308440000000 Atomic positions (fractional): *1 Ca 0.34502616244351 0.84502616244351 0.48378641925225 40.078 > 1 2 Ca 0.65497383755649 0.15497383755649 0.48378641925225 40.078 > 2 3 Ca 0.84502616244351 0.65497383755649 0.51621358074775 40.078 > 3 4 Ca 0.15497383755649 0.34502616244351 0.51621358074775 40.078 > 4 *5 Al 0.14460279982788 0.64460279982788 0.02536801167140 26.982 > 5 6 Al 0.85539720017212 0.35539720017212 0.02536801167140 26.982 > 6 7 Al 0.64460279982788 0.85539720017212 0.97463198832860 26.982 > 7 8 Al 0.35539720017212 0.14460279982788 0.97463198832860 26.982 > 8 *9 Si 0.00000000000000 0.00000000000000 0.00000000000000 28.085 > 9 10 Si 0.50000000000000 0.50000000000000 0.00000000000000 28.085 > 10 *11 O 0.14487796525093 0.64487796525093 0.68829126244730 15.999 > 11 *12 O 0.65034074763488 0.40475538572538 0.18108962541822 15.999 > 12 13 O 0.85512203474907 0.35512203474907 0.68829126244730 15.999 > 13 14 O 0.40475538572538 0.34965925236512 0.81891037458178 15.999 > 14 15 O 0.35512203474907 0.14487796525093 0.31170873755270 15.999 > 15 16 O 0.59524461427462 0.65034074763488 0.81891037458178 15.999 > 16 17 O 0.09524461427462 0.84965925236512 0.18108962541822 15.999 > 17 *18 O 0.00000000000000 0.50000000000000 0.18073640811267 15.999 > 18 19 O 0.50000000000000 0.00000000000000 0.81926359188733 15.999 > 19 20 O 0.90475538572538 0.15034074763488 0.18108962541822 15.999 > 20 21 O 0.15034074763488 0.09524461427462 0.81891037458178 15.999 > 21 22 O 0.64487796525093 0.85512203474907 0.31170873755270 15.999 > 22 23 O 0.84965925236512 0.90475538572538 0.81891037458178 15.999 > 23 24 O 0.34965925236512 0.59524461427462 0.18108962541822 15.999 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.602496420000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.602496420000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.226616880000000 Atomic positions (fractional): *1 Ca 0.34502616244351 0.84502616244351 0.24189320962612 40.078 > 1 2 Ca 0.34502616244351 0.84502616244351 0.74189320962612 40.078 > 1 3 Ca 0.65497383755649 0.15497383755649 0.24189320962612 40.078 > 2 4 Ca 0.65497383755649 0.15497383755649 0.74189320962612 40.078 > 2 5 Ca 0.84502616244351 0.65497383755649 0.25810679037388 40.078 > 3 6 Ca 0.84502616244351 0.65497383755649 0.75810679037388 40.078 > 3 7 Ca 0.15497383755649 0.34502616244351 0.25810679037388 40.078 > 4 8 Ca 0.15497383755649 0.34502616244351 0.75810679037388 40.078 > 4 *9 Al 0.14460279982788 0.64460279982788 0.01268400583570 26.982 > 5 10 Al 0.14460279982788 0.64460279982788 0.51268400583570 26.982 > 5 11 Al 0.85539720017212 0.35539720017212 0.01268400583570 26.982 > 6 12 Al 0.85539720017212 0.35539720017212 0.51268400583570 26.982 > 6 13 Al 0.64460279982788 0.85539720017212 0.48731599416430 26.982 > 7 14 Al 0.64460279982788 0.85539720017212 0.98731599416430 26.982 > 7 15 Al 0.35539720017212 0.14460279982788 0.48731599416430 26.982 > 8 16 Al 0.35539720017212 0.14460279982788 0.98731599416430 26.982 > 8 *17 Si 0.00000000000000 0.00000000000000 0.00000000000000 28.085 > 9 18 Si 0.00000000000000 0.00000000000000 0.50000000000000 28.085 > 9 19 Si 0.50000000000000 0.50000000000000 0.00000000000000 28.085 > 10 20 Si 0.50000000000000 0.50000000000000 0.50000000000000 28.085 > 10 *21 O 0.14487796525093 0.64487796525093 0.34414563122365 15.999 > 11 22 O 0.14487796525093 0.64487796525093 0.84414563122365 15.999 > 11 *23 O 0.65034074763488 0.40475538572538 0.09054481270911 15.999 > 12 24 O 0.65034074763488 0.40475538572538 0.59054481270911 15.999 > 12 25 O 0.85512203474907 0.35512203474907 0.34414563122365 15.999 > 13 26 O 0.85512203474907 0.35512203474907 0.84414563122365 15.999 > 13 27 O 0.40475538572538 0.34965925236512 0.40945518729089 15.999 > 14 28 O 0.40475538572538 0.34965925236512 0.90945518729089 15.999 > 14 29 O 0.35512203474907 0.14487796525093 0.15585436877635 15.999 > 15 30 O 0.35512203474907 0.14487796525093 0.65585436877635 15.999 > 15 31 O 0.59524461427462 0.65034074763488 0.40945518729089 15.999 > 16 32 O 0.59524461427462 0.65034074763488 0.90945518729089 15.999 > 16 33 O 0.09524461427462 0.84965925236512 0.09054481270911 15.999 > 17 34 O 0.09524461427462 0.84965925236512 0.59054481270911 15.999 > 17 *35 O 0.00000000000000 0.50000000000000 0.09036820405633 15.999 > 18 36 O 0.00000000000000 0.50000000000000 0.59036820405633 15.999 > 18 37 O 0.50000000000000 0.00000000000000 0.40963179594367 15.999 > 19 38 O 0.50000000000000 0.00000000000000 0.90963179594367 15.999 > 19 39 O 0.90475538572538 0.15034074763488 0.09054481270911 15.999 > 20 40 O 0.90475538572538 0.15034074763488 0.59054481270911 15.999 > 20 41 O 0.15034074763488 0.09524461427462 0.40945518729089 15.999 > 21 42 O 0.15034074763488 0.09524461427462 0.90945518729089 15.999 > 21 43 O 0.64487796525093 0.85512203474907 0.15585436877635 15.999 > 22 44 O 0.64487796525093 0.85512203474907 0.65585436877635 15.999 > 22 45 O 0.84965925236512 0.90475538572538 0.40945518729089 15.999 > 23 46 O 0.84965925236512 0.90475538572538 0.90945518729089 15.999 > 23 47 O 0.34965925236512 0.59524461427462 0.09054481270911 15.999 > 24 48 O 0.34965925236512 0.59524461427462 0.59054481270911 15.999 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1035793 0.0000000 0.0000000 0.0000000 3.1035793 0.0000000 0.0000000 0.0000000 3.0057697 -------------------------- Born effective charges -------------------------- 1 Ca 2.4224324 0.2281782 -0.0107482 0.2281782 2.4224324 -0.0107482 0.0158719 0.0158719 2.4449222 2 Ca 2.4224324 0.2281782 0.0107482 0.2281782 2.4224324 0.0107482 -0.0158719 -0.0158719 2.4449222 3 Ca 2.4224324 -0.2281782 0.0107482 -0.2281782 2.4224324 -0.0107482 -0.0158719 0.0158719 2.4449222 4 Ca 2.4224324 -0.2281782 -0.0107482 -0.2281782 2.4224324 0.0107482 0.0158719 -0.0158719 2.4449222 5 Al 2.4835326 -0.0965314 0.0385374 -0.0965314 2.4835326 0.0385374 -0.0397953 -0.0397953 2.3848431 6 Al 2.4835326 -0.0965314 -0.0385374 -0.0965314 2.4835326 -0.0385374 0.0397953 0.0397953 2.3848431 7 Al 2.4835326 0.0965314 -0.0385374 0.0965314 2.4835326 0.0385374 0.0397953 -0.0397953 2.3848431 8 Al 2.4835326 0.0965314 0.0385374 0.0965314 2.4835326 -0.0385374 -0.0397953 0.0397953 2.3848431 9 Si 3.3777731 -0.0044220 0.0000000 0.0044220 3.3777731 0.0000000 0.0000000 0.0000000 2.5095270 10 Si 3.3777731 0.0044220 0.0000000 -0.0044220 3.3777731 0.0000000 0.0000000 0.0000000 2.5095270 11 O -1.8498560 -0.1384277 -0.0111393 -0.1384277 -1.8498560 -0.0111393 -0.0144534 -0.0144534 -1.9874087 12 O -2.1231839 0.2587397 -0.1452362 0.2735576 -1.6891197 0.2653556 -0.1893411 0.2357854 -1.5665091 13 O -1.8498560 -0.1384277 0.0111393 -0.1384277 -1.8498560 0.0111393 0.0144534 0.0144534 -1.9874087 14 O -1.6891197 -0.2735576 -0.2653556 -0.2587397 -2.1231839 -0.1452362 -0.2357854 -0.1893411 -1.5665091 15 O -1.8498560 0.1384277 -0.0111393 0.1384277 -1.8498560 0.0111393 -0.0144534 0.0144534 -1.9874087 16 O -1.6891197 -0.2735576 0.2653556 -0.2587397 -2.1231839 0.1452362 0.2357854 0.1893411 -1.5665091 17 O -1.6891197 0.2735576 -0.2653556 0.2587397 -2.1231839 0.1452362 -0.2357854 0.1893411 -1.5665091 18 O -1.8653841 -0.2815585 0.0000000 -0.2815585 -1.8653841 0.0000000 0.0000000 0.0000000 -1.9282037 19 O -1.8653841 0.2815585 0.0000000 0.2815585 -1.8653841 0.0000000 0.0000000 0.0000000 -1.9282037 20 O -1.6891197 0.2735576 0.2653556 0.2587397 -2.1231839 -0.1452362 0.2357854 -0.1893411 -1.5665091 21 O -2.1231839 -0.2587397 0.1452362 -0.2735576 -1.6891197 0.2653556 0.1893411 0.2357854 -1.5665091 22 O -1.8498560 0.1384277 0.0111393 0.1384277 -1.8498560 -0.0111393 0.0144534 -0.0144534 -1.9874087 23 O -2.1231839 -0.2587397 -0.1452362 -0.2735576 -1.6891197 -0.2653556 -0.1893411 -0.2357854 -1.5665091 24 O -2.1231839 0.2587397 0.1452362 0.2735576 -1.6891197 -0.2653556 0.1893411 -0.2357854 -1.5665091 ---------------------------------------------------------------------------- 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: 144/144 Permutation basis: 5256/5256 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 720 Number of blocks in projector: 720 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 158 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 110 Use standard eigh solver. Tree of FC basis block matrices: - (720, 690), data: False |-- (110, 104), data: True |-- (158, 151), data: True |-- (172, 165), data: True |-- (280, 270), data: True ----- Solver_atoms: 1 -- 48 / 48 Time (Solver_compr_matrix_reshape): 0.001 Solver_block: 100 / 400 - Time: 0.355 Solver_block: 200 / 400 - Time: 0.287 Solver_block: 300 / 400 - Time: 0.295 Solver_block: 400 / 400 - Time: 0.299 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.321 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 144/144 Permutation basis: 5256/5256 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 720 Number of blocks in projector: 720 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 158 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 110 Use standard eigh solver. Tree of FC basis block matrices: - (720, 690), data: False |-- (110, 104), data: True |-- (158, 151), data: True |-- (172, 165), data: True |-- (280, 270), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 15:08:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 15:08:46]------------------------- 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): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-42_1m (113) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.602496420000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.602496420000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.113308440000000 Atomic positions (fractional): 1 Ca 0.34502616244351 0.84502616244351 0.48378641925225 40.078 2 Ca 0.65497383755649 0.15497383755649 0.48378641925225 40.078 3 Ca 0.84502616244351 0.65497383755649 0.51621358074775 40.078 4 Ca 0.15497383755649 0.34502616244351 0.51621358074775 40.078 5 Al 0.14460279982788 0.64460279982788 0.02536801167140 26.982 6 Al 0.85539720017212 0.35539720017212 0.02536801167140 26.982 7 Al 0.64460279982788 0.85539720017212 0.97463198832860 26.982 8 Al 0.35539720017212 0.14460279982788 0.97463198832860 26.982 9 Si 0.00000000000000 0.00000000000000 0.00000000000000 28.085 10 Si 0.50000000000000 0.50000000000000 0.00000000000000 28.085 11 O 0.14487796525093 0.64487796525093 0.68829126244730 15.999 12 O 0.65034074763488 0.40475538572538 0.18108962541822 15.999 13 O 0.85512203474907 0.35512203474907 0.68829126244730 15.999 14 O 0.40475538572538 0.34965925236512 0.81891037458178 15.999 15 O 0.35512203474907 0.14487796525093 0.31170873755270 15.999 16 O 0.59524461427462 0.65034074763488 0.81891037458178 15.999 17 O 0.09524461427462 0.84965925236512 0.18108962541822 15.999 18 O 0.00000000000000 0.50000000000000 0.18073640811267 15.999 19 O 0.50000000000000 0.00000000000000 0.81926359188733 15.999 20 O 0.90475538572538 0.15034074763488 0.18108962541822 15.999 21 O 0.15034074763488 0.09524461427462 0.81891037458178 15.999 22 O 0.64487796525093 0.85512203474907 0.31170873755270 15.999 23 O 0.84965925236512 0.90475538572538 0.81891037458178 15.999 24 O 0.34965925236512 0.59524461427462 0.18108962541822 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.602496420000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.602496420000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.226616880000000 Atomic positions (fractional): 1 Ca 0.34502616244351 0.84502616244351 0.24189320962612 40.078 > 1 2 Ca 0.34502616244351 0.84502616244351 0.74189320962612 40.078 > 1 3 Ca 0.65497383755649 0.15497383755649 0.24189320962612 40.078 > 3 4 Ca 0.65497383755649 0.15497383755649 0.74189320962612 40.078 > 3 5 Ca 0.84502616244351 0.65497383755649 0.25810679037388 40.078 > 5 6 Ca 0.84502616244351 0.65497383755649 0.75810679037388 40.078 > 5 7 Ca 0.15497383755649 0.34502616244351 0.25810679037388 40.078 > 7 8 Ca 0.15497383755649 0.34502616244351 0.75810679037388 40.078 > 7 9 Al 0.14460279982788 0.64460279982788 0.01268400583570 26.982 > 9 10 Al 0.14460279982788 0.64460279982788 0.51268400583570 26.982 > 9 11 Al 0.85539720017212 0.35539720017212 0.01268400583570 26.982 > 11 12 Al 0.85539720017212 0.35539720017212 0.51268400583570 26.982 > 11 13 Al 0.64460279982788 0.85539720017212 0.48731599416430 26.982 > 13 14 Al 0.64460279982788 0.85539720017212 0.98731599416430 26.982 > 13 15 Al 0.35539720017212 0.14460279982788 0.48731599416430 26.982 > 15 16 Al 0.35539720017212 0.14460279982788 0.98731599416430 26.982 > 15 17 Si 0.00000000000000 0.00000000000000 0.00000000000000 28.085 > 17 18 Si 0.00000000000000 0.00000000000000 0.50000000000000 28.085 > 17 19 Si 0.50000000000000 0.50000000000000 0.00000000000000 28.085 > 19 20 Si 0.50000000000000 0.50000000000000 0.50000000000000 28.085 > 19 21 O 0.14487796525093 0.64487796525093 0.34414563122365 15.999 > 21 22 O 0.14487796525093 0.64487796525093 0.84414563122365 15.999 > 21 23 O 0.65034074763488 0.40475538572538 0.09054481270911 15.999 > 23 24 O 0.65034074763488 0.40475538572538 0.59054481270911 15.999 > 23 25 O 0.85512203474907 0.35512203474907 0.34414563122365 15.999 > 25 26 O 0.85512203474907 0.35512203474907 0.84414563122365 15.999 > 25 27 O 0.40475538572538 0.34965925236512 0.40945518729089 15.999 > 27 28 O 0.40475538572538 0.34965925236512 0.90945518729089 15.999 > 27 29 O 0.35512203474907 0.14487796525093 0.15585436877635 15.999 > 29 30 O 0.35512203474907 0.14487796525093 0.65585436877635 15.999 > 29 31 O 0.59524461427462 0.65034074763488 0.40945518729089 15.999 > 31 32 O 0.59524461427462 0.65034074763488 0.90945518729089 15.999 > 31 33 O 0.09524461427462 0.84965925236512 0.09054481270911 15.999 > 33 34 O 0.09524461427462 0.84965925236512 0.59054481270911 15.999 > 33 35 O 0.00000000000000 0.50000000000000 0.09036820405633 15.999 > 35 36 O 0.00000000000000 0.50000000000000 0.59036820405633 15.999 > 35 37 O 0.50000000000000 0.00000000000000 0.40963179594367 15.999 > 37 38 O 0.50000000000000 0.00000000000000 0.90963179594367 15.999 > 37 39 O 0.90475538572538 0.15034074763488 0.09054481270911 15.999 > 39 40 O 0.90475538572538 0.15034074763488 0.59054481270911 15.999 > 39 41 O 0.15034074763488 0.09524461427462 0.40945518729089 15.999 > 41 42 O 0.15034074763488 0.09524461427462 0.90945518729089 15.999 > 41 43 O 0.64487796525093 0.85512203474907 0.15585436877635 15.999 > 43 44 O 0.64487796525093 0.85512203474907 0.65585436877635 15.999 > 43 45 O 0.84965925236512 0.90475538572538 0.40945518729089 15.999 > 45 46 O 0.84965925236512 0.90475538572538 0.90945518729089 15.999 > 45 47 O 0.34965925236512 0.59524461427462 0.09054481270911 15.999 > 47 48 O 0.34965925236512 0.59524461427462 0.59054481270911 15.999 > 47 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1035793 0.0000000 0.0000000 0.0000000 3.1035793 0.0000000 0.0000000 0.0000000 3.0057697 -------------------------- Born effective charges -------------------------- 1 Ca 2.4224324 0.2281782 -0.0107482 0.2281782 2.4224324 -0.0107482 0.0158719 0.0158719 2.4449222 2 Ca 2.4224324 0.2281782 0.0107482 0.2281782 2.4224324 0.0107482 -0.0158719 -0.0158719 2.4449222 3 Ca 2.4224324 -0.2281782 0.0107482 -0.2281782 2.4224324 -0.0107482 -0.0158719 0.0158719 2.4449222 4 Ca 2.4224324 -0.2281782 -0.0107482 -0.2281782 2.4224324 0.0107482 0.0158719 -0.0158719 2.4449222 5 Al 2.4835326 -0.0965314 0.0385374 -0.0965314 2.4835326 0.0385374 -0.0397953 -0.0397953 2.3848431 6 Al 2.4835326 -0.0965314 -0.0385374 -0.0965314 2.4835326 -0.0385374 0.0397953 0.0397953 2.3848431 7 Al 2.4835326 0.0965314 -0.0385374 0.0965314 2.4835326 0.0385374 0.0397953 -0.0397953 2.3848431 8 Al 2.4835326 0.0965314 0.0385374 0.0965314 2.4835326 -0.0385374 -0.0397953 0.0397953 2.3848431 9 Si 3.3777731 -0.0044220 0.0000000 0.0044220 3.3777731 0.0000000 0.0000000 0.0000000 2.5095270 10 Si 3.3777731 0.0044220 0.0000000 -0.0044220 3.3777731 0.0000000 0.0000000 0.0000000 2.5095270 11 O -1.8498560 -0.1384277 -0.0111393 -0.1384277 -1.8498560 -0.0111393 -0.0144534 -0.0144534 -1.9874087 12 O -2.1231839 0.2587397 -0.1452362 0.2735576 -1.6891197 0.2653556 -0.1893411 0.2357854 -1.5665091 13 O -1.8498560 -0.1384277 0.0111393 -0.1384277 -1.8498560 0.0111393 0.0144534 0.0144534 -1.9874087 14 O -1.6891197 -0.2735576 -0.2653556 -0.2587397 -2.1231839 -0.1452362 -0.2357854 -0.1893411 -1.5665091 15 O -1.8498560 0.1384277 -0.0111393 0.1384277 -1.8498560 0.0111393 -0.0144534 0.0144534 -1.9874087 16 O -1.6891197 -0.2735576 0.2653556 -0.2587397 -2.1231839 0.1452362 0.2357854 0.1893411 -1.5665091 17 O -1.6891197 0.2735576 -0.2653556 0.2587397 -2.1231839 0.1452362 -0.2357854 0.1893411 -1.5665091 18 O -1.8653841 -0.2815585 0.0000000 -0.2815585 -1.8653841 0.0000000 0.0000000 0.0000000 -1.9282037 19 O -1.8653841 0.2815585 0.0000000 0.2815585 -1.8653841 0.0000000 0.0000000 0.0000000 -1.9282037 20 O -1.6891197 0.2735576 0.2653556 0.2587397 -2.1231839 -0.1452362 0.2357854 -0.1893411 -1.5665091 21 O -2.1231839 -0.2587397 0.1452362 -0.2735576 -1.6891197 0.2653556 0.1893411 0.2357854 -1.5665091 22 O -1.8498560 0.1384277 0.0111393 0.1384277 -1.8498560 -0.0111393 0.0144534 -0.0144534 -1.9874087 23 O -2.1231839 -0.2587397 -0.1452362 -0.2735576 -1.6891197 -0.2653556 -0.1893411 -0.2357854 -1.5665091 24 O -2.1231839 0.2587397 0.1452362 0.2735576 -1.6891197 -0.2653556 0.1893411 -0.2357854 -1.5665091 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 21, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 23, 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[ 35, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000019 (xzy) 0.00000019 (xzy) 0.00000019 (xyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (yx) -0.00000001 (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 2026-01-08 15:08:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 15:08:51]------------------------- 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): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-42_1m (113) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.602496420000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.602496420000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.113308440000000 Atomic positions (fractional): 1 Ca 0.34502616244351 0.84502616244351 0.48378641925225 40.078 2 Ca 0.65497383755649 0.15497383755649 0.48378641925225 40.078 3 Ca 0.84502616244351 0.65497383755649 0.51621358074775 40.078 4 Ca 0.15497383755649 0.34502616244351 0.51621358074775 40.078 5 Al 0.14460279982788 0.64460279982788 0.02536801167140 26.982 6 Al 0.85539720017212 0.35539720017212 0.02536801167140 26.982 7 Al 0.64460279982788 0.85539720017212 0.97463198832860 26.982 8 Al 0.35539720017212 0.14460279982788 0.97463198832860 26.982 9 Si 0.00000000000000 0.00000000000000 0.00000000000000 28.085 10 Si 0.50000000000000 0.50000000000000 0.00000000000000 28.085 11 O 0.14487796525093 0.64487796525093 0.68829126244730 15.999 12 O 0.65034074763488 0.40475538572538 0.18108962541822 15.999 13 O 0.85512203474907 0.35512203474907 0.68829126244730 15.999 14 O 0.40475538572538 0.34965925236512 0.81891037458178 15.999 15 O 0.35512203474907 0.14487796525093 0.31170873755270 15.999 16 O 0.59524461427462 0.65034074763488 0.81891037458178 15.999 17 O 0.09524461427462 0.84965925236512 0.18108962541822 15.999 18 O 0.00000000000000 0.50000000000000 0.18073640811267 15.999 19 O 0.50000000000000 0.00000000000000 0.81926359188733 15.999 20 O 0.90475538572538 0.15034074763488 0.18108962541822 15.999 21 O 0.15034074763488 0.09524461427462 0.81891037458178 15.999 22 O 0.64487796525093 0.85512203474907 0.31170873755270 15.999 23 O 0.84965925236512 0.90475538572538 0.81891037458178 15.999 24 O 0.34965925236512 0.59524461427462 0.18108962541822 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.602496420000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.602496420000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.226616880000000 Atomic positions (fractional): 1 Ca 0.34502616244351 0.84502616244351 0.24189320962612 40.078 > 1 2 Ca 0.34502616244351 0.84502616244351 0.74189320962612 40.078 > 1 3 Ca 0.65497383755649 0.15497383755649 0.24189320962612 40.078 > 3 4 Ca 0.65497383755649 0.15497383755649 0.74189320962612 40.078 > 3 5 Ca 0.84502616244351 0.65497383755649 0.25810679037388 40.078 > 5 6 Ca 0.84502616244351 0.65497383755649 0.75810679037388 40.078 > 5 7 Ca 0.15497383755649 0.34502616244351 0.25810679037388 40.078 > 7 8 Ca 0.15497383755649 0.34502616244351 0.75810679037388 40.078 > 7 9 Al 0.14460279982788 0.64460279982788 0.01268400583570 26.982 > 9 10 Al 0.14460279982788 0.64460279982788 0.51268400583570 26.982 > 9 11 Al 0.85539720017212 0.35539720017212 0.01268400583570 26.982 > 11 12 Al 0.85539720017212 0.35539720017212 0.51268400583570 26.982 > 11 13 Al 0.64460279982788 0.85539720017212 0.48731599416430 26.982 > 13 14 Al 0.64460279982788 0.85539720017212 0.98731599416430 26.982 > 13 15 Al 0.35539720017212 0.14460279982788 0.48731599416430 26.982 > 15 16 Al 0.35539720017212 0.14460279982788 0.98731599416430 26.982 > 15 17 Si 0.00000000000000 0.00000000000000 0.00000000000000 28.085 > 17 18 Si 0.00000000000000 0.00000000000000 0.50000000000000 28.085 > 17 19 Si 0.50000000000000 0.50000000000000 0.00000000000000 28.085 > 19 20 Si 0.50000000000000 0.50000000000000 0.50000000000000 28.085 > 19 21 O 0.14487796525093 0.64487796525093 0.34414563122365 15.999 > 21 22 O 0.14487796525093 0.64487796525093 0.84414563122365 15.999 > 21 23 O 0.65034074763488 0.40475538572538 0.09054481270911 15.999 > 23 24 O 0.65034074763488 0.40475538572538 0.59054481270911 15.999 > 23 25 O 0.85512203474907 0.35512203474907 0.34414563122365 15.999 > 25 26 O 0.85512203474907 0.35512203474907 0.84414563122365 15.999 > 25 27 O 0.40475538572538 0.34965925236512 0.40945518729089 15.999 > 27 28 O 0.40475538572538 0.34965925236512 0.90945518729089 15.999 > 27 29 O 0.35512203474907 0.14487796525093 0.15585436877635 15.999 > 29 30 O 0.35512203474907 0.14487796525093 0.65585436877635 15.999 > 29 31 O 0.59524461427462 0.65034074763488 0.40945518729089 15.999 > 31 32 O 0.59524461427462 0.65034074763488 0.90945518729089 15.999 > 31 33 O 0.09524461427462 0.84965925236512 0.09054481270911 15.999 > 33 34 O 0.09524461427462 0.84965925236512 0.59054481270911 15.999 > 33 35 O 0.00000000000000 0.50000000000000 0.09036820405633 15.999 > 35 36 O 0.00000000000000 0.50000000000000 0.59036820405633 15.999 > 35 37 O 0.50000000000000 0.00000000000000 0.40963179594367 15.999 > 37 38 O 0.50000000000000 0.00000000000000 0.90963179594367 15.999 > 37 39 O 0.90475538572538 0.15034074763488 0.09054481270911 15.999 > 39 40 O 0.90475538572538 0.15034074763488 0.59054481270911 15.999 > 39 41 O 0.15034074763488 0.09524461427462 0.40945518729089 15.999 > 41 42 O 0.15034074763488 0.09524461427462 0.90945518729089 15.999 > 41 43 O 0.64487796525093 0.85512203474907 0.15585436877635 15.999 > 43 44 O 0.64487796525093 0.85512203474907 0.65585436877635 15.999 > 43 45 O 0.84965925236512 0.90475538572538 0.40945518729089 15.999 > 45 46 O 0.84965925236512 0.90475538572538 0.90945518729089 15.999 > 45 47 O 0.34965925236512 0.59524461427462 0.09054481270911 15.999 > 47 48 O 0.34965925236512 0.59524461427462 0.59054481270911 15.999 > 47 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.1035793 0.0000000 0.0000000 0.0000000 3.1035793 0.0000000 0.0000000 0.0000000 3.0057697 -------------------------- Born effective charges -------------------------- 1 Ca 2.4224324 0.2281782 -0.0107482 0.2281782 2.4224324 -0.0107482 0.0158719 0.0158719 2.4449222 2 Ca 2.4224324 0.2281782 0.0107482 0.2281782 2.4224324 0.0107482 -0.0158719 -0.0158719 2.4449222 3 Ca 2.4224324 -0.2281782 0.0107482 -0.2281782 2.4224324 -0.0107482 -0.0158719 0.0158719 2.4449222 4 Ca 2.4224324 -0.2281782 -0.0107482 -0.2281782 2.4224324 0.0107482 0.0158719 -0.0158719 2.4449222 5 Al 2.4835326 -0.0965314 0.0385374 -0.0965314 2.4835326 0.0385374 -0.0397953 -0.0397953 2.3848431 6 Al 2.4835326 -0.0965314 -0.0385374 -0.0965314 2.4835326 -0.0385374 0.0397953 0.0397953 2.3848431 7 Al 2.4835326 0.0965314 -0.0385374 0.0965314 2.4835326 0.0385374 0.0397953 -0.0397953 2.3848431 8 Al 2.4835326 0.0965314 0.0385374 0.0965314 2.4835326 -0.0385374 -0.0397953 0.0397953 2.3848431 9 Si 3.3777731 -0.0044220 0.0000000 0.0044220 3.3777731 0.0000000 0.0000000 0.0000000 2.5095270 10 Si 3.3777731 0.0044220 0.0000000 -0.0044220 3.3777731 0.0000000 0.0000000 0.0000000 2.5095270 11 O -1.8498560 -0.1384277 -0.0111393 -0.1384277 -1.8498560 -0.0111393 -0.0144534 -0.0144534 -1.9874087 12 O -2.1231839 0.2587397 -0.1452362 0.2735576 -1.6891197 0.2653556 -0.1893411 0.2357854 -1.5665091 13 O -1.8498560 -0.1384277 0.0111393 -0.1384277 -1.8498560 0.0111393 0.0144534 0.0144534 -1.9874087 14 O -1.6891197 -0.2735576 -0.2653556 -0.2587397 -2.1231839 -0.1452362 -0.2357854 -0.1893411 -1.5665091 15 O -1.8498560 0.1384277 -0.0111393 0.1384277 -1.8498560 0.0111393 -0.0144534 0.0144534 -1.9874087 16 O -1.6891197 -0.2735576 0.2653556 -0.2587397 -2.1231839 0.1452362 0.2357854 0.1893411 -1.5665091 17 O -1.6891197 0.2735576 -0.2653556 0.2587397 -2.1231839 0.1452362 -0.2357854 0.1893411 -1.5665091 18 O -1.8653841 -0.2815585 0.0000000 -0.2815585 -1.8653841 0.0000000 0.0000000 0.0000000 -1.9282037 19 O -1.8653841 0.2815585 0.0000000 0.2815585 -1.8653841 0.0000000 0.0000000 0.0000000 -1.9282037 20 O -1.6891197 0.2735576 0.2653556 0.2587397 -2.1231839 -0.1452362 0.2357854 -0.1893411 -1.5665091 21 O -2.1231839 -0.2587397 0.1452362 -0.2735576 -1.6891197 0.2653556 0.1893411 0.2357854 -1.5665091 22 O -1.8498560 0.1384277 0.0111393 0.1384277 -1.8498560 -0.0111393 0.0144534 -0.0144534 -1.9874087 23 O -2.1231839 -0.2587397 -0.1452362 -0.2735576 -1.6891197 -0.2653556 -0.1893411 -0.2357854 -1.5665091 24 O -2.1231839 0.2587397 0.1452362 0.2735576 -1.6891197 -0.2653556 0.1893411 -0.2357854 -1.5665091 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000019 (xzy) 0.00000019 (xzy) 0.00000019 (xyz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 7 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.62, Number of G-points: 315, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 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 2.842 ( 0.000 0.000 0.000) 0.000 2.912 ( 0.000 0.000 0.000) 0.000 3.045 ( 0.000 0.000 0.000) 0.000 3.045 ( 0.000 0.000 0.000) 0.000 4.272 ( 0.000 0.000 0.000) 0.000 4.272 ( 0.000 0.000 0.000) 0.000 5.225 ( -0.000 -0.000 0.000) 0.000 5.225 ( 0.000 0.000 0.000) 0.000 5.254 ( 0.000 0.000 0.000) 0.000 5.404 ( 0.000 0.000 0.000) 0.000 5.482 ( 0.000 0.000 0.000) 0.000 5.943 ( -0.000 0.000 0.000) 0.000 5.943 ( 0.000 0.000 0.000) 0.000 6.481 ( 0.000 0.000 0.000) 0.000 6.531 ( 0.000 0.000 0.000) 0.000 6.531 ( 0.000 0.000 0.000) 0.000 6.707 ( 0.000 0.000 0.000) 0.000 7.114 ( 0.000 0.000 0.000) 0.000 7.198 ( 0.000 0.000 0.000) 0.000 7.282 ( 0.000 -0.000 0.000) 0.000 7.282 ( 0.000 0.000 0.000) 0.000 7.853 ( 0.000 0.000 0.000) 0.000 7.968 ( 0.000 0.000 0.000) 0.000 8.042 ( 0.000 0.000 0.000) 0.000 8.128 ( 0.000 0.000 0.000) 0.000 8.128 ( 0.000 0.000 0.000) 0.000 8.505 ( 0.000 0.000 0.000) 0.000 8.505 ( 0.000 0.000 0.000) 0.000 8.552 ( 0.000 0.000 0.000) 0.000 8.910 ( 0.000 0.000 0.000) 0.000 9.931 ( 0.000 0.000 0.000) 0.000 9.932 ( 0.000 0.000 0.000) 0.000 9.932 ( -0.000 0.000 0.000) 0.000 10.110 ( 0.000 0.000 0.000) 0.000 10.638 ( 0.000 -0.000 0.000) 0.000 10.638 ( 0.000 0.000 0.000) 0.000 10.904 ( 0.000 0.000 0.000) 0.000 11.579 ( 0.000 0.000 0.000) 0.000 11.836 ( 0.000 0.000 0.000) 0.000 12.246 ( 0.000 0.000 0.000) 0.000 13.545 ( 0.000 0.000 0.000) 0.000 13.545 ( -0.000 -0.000 0.000) 0.000 14.143 ( 0.000 0.000 0.000) 0.000 15.348 ( 0.000 0.000 0.000) 0.000 15.348 ( 0.000 0.000 0.000) 0.000 17.675 ( 0.000 0.000 0.000) 0.000 17.797 ( 0.000 0.000 0.000) 0.000 17.797 ( -0.000 0.000 0.000) 0.000 18.118 ( 0.000 0.000 0.000) 0.000 18.415 ( 0.000 0.000 0.000) 0.000 18.877 ( 0.000 0.000 0.000) 0.000 19.478 ( 0.000 -0.000 0.000) 0.000 19.478 ( 0.000 0.000 0.000) 0.000 20.511 ( 0.000 0.000 0.000) 0.000 21.357 ( 0.000 0.000 0.000) 0.000 23.285 ( -0.000 0.000 0.000) 0.000 23.285 ( -0.000 0.000 0.000) 0.000 23.831 ( 0.000 0.000 0.000) 0.000 24.142 ( 0.000 0.000 0.000) 0.000 25.848 ( 0.000 0.000 0.000) 0.000 25.848 ( 0.000 0.000 0.000) 0.000 26.704 ( 0.000 0.000 0.000) 0.000 26.889 ( 0.000 0.000 0.000) 0.000 26.970 ( 0.000 0.000 0.000) 0.000 27.301 ( 0.000 0.000 0.000) 0.000 27.301 ( 0.000 0.000 0.000) 0.000 28.401 ( 0.000 0.000 0.000) 0.000 29.666 ( 0.000 0.000 0.000) 0.000 29.666 ( -0.000 -0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( 30.827 0.000 0.000) 30.827 0.861 ( 43.919 0.000 0.000) 43.919 1.432 ( 73.402 0.000 0.000) 73.402 2.674 ( -6.809 0.000 0.000) 6.809 2.737 ( -10.512 0.000 0.000) 10.512 3.137 ( 6.168 0.000 0.000) 6.168 3.453 ( 25.290 0.000 0.000) 25.290 4.302 ( 3.468 0.000 0.000) 3.468 4.501 ( -5.802 0.000 0.000) 5.802 5.106 ( -14.775 0.000 0.000) 14.775 5.274 ( -17.014 0.000 0.000) 17.014 5.279 ( 4.663 0.000 0.000) 4.663 5.427 ( 4.418 0.000 0.000) 4.418 5.842 ( -11.479 0.000 0.000) 11.479 5.849 ( 0.205 0.000 0.000) 0.205 5.945 ( 7.247 0.000 0.000) 7.247 6.307 ( -11.209 0.000 0.000) 11.209 6.501 ( -5.577 0.000 0.000) 5.577 6.521 ( 0.127 0.000 0.000) 0.127 6.765 ( -0.079 0.000 0.000) 0.079 7.204 ( 8.512 0.000 0.000) 8.512 7.226 ( 2.605 0.000 0.000) 2.605 7.362 ( 6.838 0.000 0.000) 6.838 7.410 ( -4.161 0.000 0.000) 4.161 7.952 ( -1.177 0.000 0.000) 1.177 7.973 ( -5.966 0.000 0.000) 5.966 7.985 ( 7.536 0.000 0.000) 7.536 8.184 ( 3.792 0.000 0.000) 3.792 8.282 ( 13.029 0.000 0.000) 13.029 8.416 ( -6.230 0.000 0.000) 6.230 8.543 ( -1.339 0.000 0.000) 1.339 9.004 ( 7.344 0.000 0.000) 7.344 9.072 ( 3.509 0.000 0.000) 3.509 9.613 ( -23.147 0.000 0.000) 23.147 9.779 ( -15.937 0.000 0.000) 15.937 9.866 ( -8.356 0.000 0.000) 8.356 10.278 ( -24.159 0.000 0.000) 24.159 10.496 ( 9.653 0.000 0.000) 9.653 11.131 ( 14.640 0.000 0.000) 14.640 11.646 ( 6.138 0.000 0.000) 6.138 11.766 ( -3.779 0.000 0.000) 3.779 12.237 ( 0.261 0.000 0.000) 0.261 12.542 ( -2.818 0.000 0.000) 2.818 13.702 ( 15.048 0.000 0.000) 15.048 14.031 ( -11.351 0.000 0.000) 11.351 14.102 ( 13.838 0.000 0.000) 13.838 15.352 ( 0.043 0.000 0.000) 0.043 15.451 ( -6.902 0.000 0.000) 6.902 17.658 ( -1.787 0.000 0.000) 1.787 17.717 ( -6.044 0.000 0.000) 6.044 18.214 ( 1.874 0.000 0.000) 1.874 18.256 ( -9.847 0.000 0.000) 9.847 18.367 ( 2.296 0.000 0.000) 2.296 19.078 ( 15.742 0.000 0.000) 15.742 19.607 ( 11.935 0.000 0.000) 11.935 19.738 ( -0.440 0.000 0.000) 0.440 20.517 ( 0.559 0.000 0.000) 0.559 21.292 ( -6.850 0.000 0.000) 6.850 23.286 ( 0.104 0.000 0.000) 0.104 23.375 ( -1.456 0.000 0.000) 1.456 23.848 ( 1.711 0.000 0.000) 1.711 24.120 ( -2.151 0.000 0.000) 2.151 25.879 ( 3.056 0.000 0.000) 3.056 26.073 ( -0.020 0.000 0.000) 0.020 26.733 ( 2.896 0.000 0.000) 2.896 26.872 ( -1.569 0.000 0.000) 1.569 26.956 ( -1.307 0.000 0.000) 1.307 27.283 ( -1.998 0.000 0.000) 1.998 28.448 ( 5.059 0.000 0.000) 5.059 29.533 ( -1.988 0.000 0.000) 1.988 29.667 ( 0.020 0.000 0.000) 0.020 29.673 ( -4.811 0.000 0.000) 4.811 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 26.773 0.000 0.000) 26.773 1.651 ( 40.019 0.000 0.000) 40.019 2.414 ( -10.230 0.000 0.000) 10.230 2.693 ( 39.171 0.000 0.000) 39.171 2.764 ( 16.222 0.000 0.000) 16.222 3.303 ( 14.296 0.000 0.000) 14.296 3.878 ( 18.359 0.000 0.000) 18.359 4.331 ( -10.962 0.000 0.000) 10.962 4.419 ( 9.022 0.000 0.000) 9.022 4.788 ( -17.601 0.000 0.000) 17.601 4.922 ( -17.177 0.000 0.000) 17.177 5.330 ( -1.370 0.000 0.000) 1.370 5.561 ( -15.310 0.000 0.000) 15.310 5.562 ( 9.285 0.000 0.000) 9.285 5.737 ( -8.545 0.000 0.000) 8.545 6.123 ( 4.452 0.000 0.000) 4.452 6.142 ( -7.593 0.000 0.000) 7.593 6.440 ( 4.003 0.000 0.000) 4.003 6.446 ( -10.416 0.000 0.000) 10.416 6.767 ( 3.244 0.000 0.000) 3.244 7.245 ( 0.033 0.000 0.000) 0.033 7.366 ( 6.927 0.000 0.000) 6.927 7.443 ( 0.100 0.000 0.000) 0.100 7.482 ( 11.836 0.000 0.000) 11.836 7.836 ( -7.953 0.000 0.000) 7.953 7.938 ( -0.810 0.000 0.000) 0.810 8.074 ( 2.446 0.000 0.000) 2.446 8.202 ( -1.414 0.000 0.000) 1.414 8.382 ( 1.213 0.000 0.000) 1.213 8.472 ( -5.674 0.000 0.000) 5.674 8.578 ( 15.140 0.000 0.000) 15.140 9.087 ( -3.228 0.000 0.000) 3.228 9.167 ( 5.330 0.000 0.000) 5.330 9.317 ( -6.255 0.000 0.000) 6.255 9.342 ( -20.792 0.000 0.000) 20.792 9.670 ( -10.627 0.000 0.000) 10.627 9.944 ( -12.516 0.000 0.000) 12.516 10.367 ( -20.409 0.000 0.000) 20.409 11.392 ( 12.664 0.000 0.000) 12.664 11.773 ( 1.488 0.000 0.000) 1.488 11.788 ( 8.923 0.000 0.000) 8.923 12.278 ( 1.123 0.000 0.000) 1.123 12.525 ( 6.048 0.000 0.000) 6.048 13.727 ( -19.130 0.000 0.000) 19.130 14.051 ( 19.051 0.000 0.000) 19.051 14.389 ( 14.454 0.000 0.000) 14.454 15.287 ( -9.397 0.000 0.000) 9.397 15.328 ( -3.037 0.000 0.000) 3.037 17.614 ( -2.641 0.000 0.000) 2.641 17.617 ( -4.274 0.000 0.000) 4.274 18.096 ( -6.765 0.000 0.000) 6.765 18.103 ( -7.339 0.000 0.000) 7.339 18.595 ( 15.961 0.000 0.000) 15.961 19.275 ( 1.346 0.000 0.000) 1.346 19.817 ( 10.819 0.000 0.000) 10.819 19.854 ( 12.871 0.000 0.000) 12.871 20.533 ( 1.475 0.000 0.000) 1.475 21.106 ( -12.595 0.000 0.000) 12.595 23.288 ( 0.197 0.000 0.000) 0.197 23.342 ( -1.837 0.000 0.000) 1.837 23.891 ( 2.681 0.000 0.000) 2.681 24.068 ( -3.191 0.000 0.000) 3.191 25.949 ( 3.987 0.000 0.000) 3.987 26.070 ( -0.366 0.000 0.000) 0.366 26.800 ( 3.396 0.000 0.000) 3.396 26.840 ( -1.580 0.000 0.000) 1.580 26.937 ( 0.081 0.000 0.000) 0.081 27.222 ( -4.581 0.000 0.000) 4.581 28.594 ( 10.440 0.000 0.000) 10.440 29.399 ( -12.230 0.000 0.000) 12.230 29.626 ( 0.075 0.000 0.000) 0.075 29.666 ( -0.208 0.000 0.000) 0.208 ======================= Grid point 3 (4/60) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 24.567 0.000 0.000) 24.567 2.045 ( -22.774 0.000 0.000) 22.774 2.358 ( 34.527 0.000 0.000) 34.527 2.872 ( -16.428 0.000 0.000) 16.428 3.204 ( 27.252 0.000 0.000) 27.252 3.599 ( -4.709 0.000 0.000) 4.709 4.127 ( 8.655 0.000 0.000) 8.655 4.206 ( -0.925 0.000 0.000) 0.925 4.570 ( 4.130 0.000 0.000) 4.130 4.615 ( -1.622 0.000 0.000) 1.622 4.775 ( 12.492 0.000 0.000) 12.492 5.235 ( -19.593 0.000 0.000) 19.593 5.309 ( 0.963 0.000 0.000) 0.963 5.512 ( -14.243 0.000 0.000) 14.243 5.767 ( 11.615 0.000 0.000) 11.615 5.982 ( -10.253 0.000 0.000) 10.253 6.130 ( 0.573 0.000 0.000) 0.573 6.217 ( -9.791 0.000 0.000) 9.791 6.654 ( 13.629 0.000 0.000) 13.629 6.814 ( -1.722 0.000 0.000) 1.722 7.270 ( 3.223 0.000 0.000) 3.223 7.369 ( -6.399 0.000 0.000) 6.399 7.505 ( 8.344 0.000 0.000) 8.344 7.677 ( -9.238 0.000 0.000) 9.238 7.741 ( 14.124 0.000 0.000) 14.124 7.914 ( -2.624 0.000 0.000) 2.624 8.096 ( 0.983 0.000 0.000) 0.983 8.191 ( -3.442 0.000 0.000) 3.442 8.269 ( -7.828 0.000 0.000) 7.828 8.333 ( -7.534 0.000 0.000) 7.534 8.824 ( 10.028 0.000 0.000) 10.028 8.933 ( -3.344 0.000 0.000) 3.344 9.206 ( 1.459 0.000 0.000) 1.459 9.234 ( -0.870 0.000 0.000) 0.870 9.396 ( 9.093 0.000 0.000) 9.093 9.521 ( -4.634 0.000 0.000) 4.634 9.762 ( -4.946 0.000 0.000) 4.946 9.927 ( -21.277 0.000 0.000) 21.277 11.597 ( 9.155 0.000 0.000) 9.155 11.735 ( -5.268 0.000 0.000) 5.268 11.979 ( 10.964 0.000 0.000) 10.964 12.178 ( -9.450 0.000 0.000) 9.450 12.851 ( 23.943 0.000 0.000) 23.943 13.314 ( -24.089 0.000 0.000) 24.089 14.386 ( 15.209 0.000 0.000) 15.209 14.551 ( 0.062 0.000 0.000) 0.062 15.167 ( -1.120 0.000 0.000) 1.120 15.237 ( -6.046 0.000 0.000) 6.046 17.564 ( -1.203 0.000 0.000) 1.203 17.570 ( -1.644 0.000 0.000) 1.644 18.008 ( -2.511 0.000 0.000) 2.511 18.008 ( -2.432 0.000 0.000) 2.432 18.898 ( 15.589 0.000 0.000) 15.589 19.158 ( -11.363 0.000 0.000) 11.363 20.040 ( 8.066 0.000 0.000) 8.066 20.046 ( 6.372 0.000 0.000) 6.372 20.607 ( 7.912 0.000 0.000) 7.912 20.839 ( -14.959 0.000 0.000) 14.959 23.295 ( 0.561 0.000 0.000) 0.561 23.312 ( -1.289 0.000 0.000) 1.289 23.946 ( 3.101 0.000 0.000) 3.101 24.006 ( -3.309 0.000 0.000) 3.309 26.016 ( 2.914 0.000 0.000) 2.914 26.055 ( -1.357 0.000 0.000) 1.357 26.821 ( -0.288 0.000 0.000) 0.288 26.825 ( -0.288 0.000 0.000) 0.288 26.995 ( 5.755 0.000 0.000) 5.755 27.116 ( -6.438 0.000 0.000) 6.438 28.833 ( 14.668 0.000 0.000) 14.668 29.126 ( -15.803 0.000 0.000) 15.803 29.641 ( 1.022 0.000 0.000) 1.022 29.658 ( -0.674 0.000 0.000) 0.674 ======================= Grid point 8 (5/60) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 23.124 23.124 0.000) 32.702 1.103 ( 28.314 28.314 0.000) 40.043 2.059 ( 51.349 51.349 0.000) 72.618 2.396 ( -11.656 -11.656 0.000) 16.484 2.913 ( 3.349 3.349 0.000) 4.736 3.222 ( 6.421 6.421 0.000) 9.081 3.535 ( 10.740 10.740 0.000) 15.188 4.257 ( -0.099 -0.099 0.000) 0.141 4.506 ( -3.952 -3.952 0.000) 5.589 5.034 ( -9.564 -9.564 0.000) 13.525 5.146 ( -3.386 -3.386 0.000) 4.789 5.225 ( -7.951 -7.951 0.000) 11.244 5.389 ( -3.579 -3.579 0.000) 5.062 5.645 ( -12.818 -12.818 0.000) 18.127 5.996 ( 2.834 2.834 0.000) 4.008 6.044 ( 6.322 6.322 0.000) 8.941 6.221 ( -9.883 -9.883 0.000) 13.977 6.371 ( -0.115 -0.115 0.000) 0.162 6.585 ( 0.855 0.855 0.000) 1.209 6.777 ( -1.109 -1.109 0.000) 1.569 7.224 ( -0.161 -0.161 0.000) 0.227 7.235 ( 3.749 3.749 0.000) 5.301 7.335 ( -0.494 -0.494 0.000) 0.698 7.466 ( 6.133 6.133 0.000) 8.673 7.891 ( -3.347 -3.347 0.000) 4.733 7.957 ( 0.986 0.986 0.000) 1.394 8.017 ( -0.570 -0.570 0.000) 0.806 8.214 ( 4.561 4.561 0.000) 6.450 8.415 ( 11.527 11.527 0.000) 16.301 8.546 ( 0.300 0.300 0.000) 0.424 8.554 ( 1.003 1.003 0.000) 1.418 8.865 ( 0.014 0.014 0.000) 0.020 9.158 ( -20.265 -20.265 0.000) 28.658 9.193 ( 4.922 4.922 0.000) 6.961 9.830 ( -4.824 -4.824 0.000) 6.822 10.085 ( -0.630 -0.630 0.000) 0.891 10.263 ( -12.407 -12.407 0.000) 17.546 10.676 ( -10.340 -10.340 0.000) 14.623 10.732 ( 13.055 13.055 0.000) 18.463 11.166 ( -21.777 -21.777 0.000) 30.797 12.207 ( -1.786 -1.786 0.000) 2.526 12.207 ( 20.334 20.334 0.000) 28.757 12.778 ( 8.944 8.944 0.000) 12.648 13.865 ( 11.627 11.627 0.000) 16.444 13.891 ( -5.547 -5.547 0.000) 7.844 14.062 ( -1.462 -1.462 0.000) 2.068 15.231 ( -5.942 -5.942 0.000) 8.403 15.442 ( -5.233 -5.233 0.000) 7.400 17.639 ( -1.908 -1.908 0.000) 2.699 17.799 ( 0.943 0.943 0.000) 1.334 17.938 ( -10.719 -10.719 0.000) 15.160 18.410 ( 13.598 13.598 0.000) 19.230 18.433 ( -5.912 -5.912 0.000) 8.361 19.312 ( 17.501 17.501 0.000) 24.751 19.486 ( 0.595 0.595 0.000) 0.841 19.825 ( 3.914 3.914 0.000) 5.535 20.510 ( -0.294 -0.294 0.000) 0.416 21.258 ( -5.206 -5.206 0.000) 7.362 23.273 ( -0.598 -0.598 0.000) 0.846 23.363 ( -1.359 -1.359 0.000) 1.921 23.863 ( 1.493 1.493 0.000) 2.111 24.102 ( -1.863 -1.863 0.000) 2.635 25.903 ( 2.992 2.992 0.000) 4.231 26.124 ( 2.426 2.426 0.000) 3.431 26.745 ( 1.121 1.121 0.000) 1.585 26.877 ( 0.751 0.751 0.000) 1.062 26.940 ( -1.564 -1.564 0.000) 2.212 27.329 ( 1.097 1.097 0.000) 1.551 28.334 ( -2.982 -2.982 0.000) 4.217 29.484 ( -9.583 -9.583 0.000) 13.552 29.612 ( 3.271 3.271 0.000) 4.626 29.758 ( 1.429 1.429 0.000) 2.022 ======================= Grid point 9 (6/60) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 24.281 18.446 0.000) 30.493 1.747 ( 36.591 11.547 0.000) 38.370 2.270 ( -3.743 -8.976 0.000) 9.725 2.873 ( 2.647 13.976 0.000) 14.224 3.063 ( 38.909 28.811 0.000) 48.414 3.380 ( 13.651 4.677 0.000) 14.429 3.790 ( 13.482 -6.922 0.000) 15.155 4.246 ( -5.643 -4.299 0.000) 7.094 4.431 ( 1.426 -3.852 0.000) 4.107 4.762 ( -15.934 -3.251 0.000) 16.262 4.918 ( -17.668 2.795 0.000) 17.888 5.154 ( -1.957 -13.430 0.000) 13.572 5.413 ( 0.019 -11.231 0.000) 11.231 5.454 ( -0.984 -13.714 0.000) 13.749 5.844 ( -16.434 3.101 0.000) 16.724 6.013 ( -8.968 -8.661 0.000) 12.467 6.146 ( 1.756 -0.925 0.000) 1.984 6.404 ( -5.492 4.275 0.000) 6.960 6.641 ( 8.172 13.508 0.000) 15.787 6.757 ( 3.505 -2.086 0.000) 4.079 7.204 ( -1.678 -4.824 0.000) 5.107 7.355 ( 7.263 -2.348 0.000) 7.633 7.393 ( 3.108 -0.546 0.000) 3.156 7.560 ( 6.530 4.813 0.000) 8.112 7.796 ( -7.088 -3.320 0.000) 7.827 7.995 ( 2.523 5.297 0.000) 5.867 8.017 ( 1.600 1.847 0.000) 2.443 8.324 ( 3.173 3.436 0.000) 4.676 8.412 ( -7.456 3.289 0.000) 8.149 8.548 ( -1.337 6.996 0.000) 7.122 8.673 ( 12.106 7.091 0.000) 14.030 8.813 ( -8.525 -14.023 0.000) 16.411 9.046 ( 7.504 -8.550 0.000) 11.376 9.262 ( 1.681 4.342 0.000) 4.656 9.594 ( -19.435 5.461 0.000) 20.188 9.898 ( -7.211 16.689 0.000) 18.180 9.936 ( -19.001 -1.182 0.000) 19.038 10.465 ( -14.262 2.007 0.000) 14.403 10.887 ( 4.419 -37.589 0.000) 37.848 11.133 ( 6.232 -18.764 0.000) 19.772 12.278 ( 10.922 -6.150 0.000) 12.534 12.494 ( 12.047 33.419 0.000) 35.524 12.811 ( -2.577 21.748 0.000) 21.900 13.685 ( -17.452 -3.609 0.000) 17.821 14.047 ( 13.715 0.542 0.000) 13.726 14.283 ( 16.351 -9.311 0.000) 18.816 15.117 ( -7.069 -10.842 0.000) 12.943 15.288 ( -9.885 -8.549 0.000) 13.069 17.594 ( -2.506 -1.750 0.000) 3.057 17.686 ( -6.942 3.954 0.000) 7.989 17.902 ( 1.509 -7.454 0.000) 7.605 18.237 ( -11.259 1.332 0.000) 11.337 18.717 ( 17.045 12.543 0.000) 21.162 19.393 ( -3.182 10.580 0.000) 11.048 19.783 ( 20.240 1.099 0.000) 20.270 19.929 ( 7.991 5.247 0.000) 9.560 20.511 ( 0.659 -2.056 0.000) 2.159 21.091 ( -12.021 -2.562 0.000) 12.291 23.268 ( 0.048 -1.617 0.000) 1.618 23.330 ( -1.970 -1.381 0.000) 2.406 23.900 ( 2.364 0.978 0.000) 2.558 24.056 ( -2.800 -1.183 0.000) 3.039 25.979 ( 4.653 3.536 0.000) 5.844 26.142 ( -0.245 5.602 0.000) 5.607 26.764 ( 0.769 -2.087 0.000) 2.224 26.879 ( -2.258 1.407 0.000) 2.660 26.938 ( 3.499 1.565 0.000) 3.833 27.285 ( -4.999 5.515 0.000) 7.444 28.412 ( 9.805 -14.360 0.000) 17.389 29.258 ( -14.230 -12.799 0.000) 19.140 29.669 ( 2.515 4.664 0.000) 5.299 29.757 ( -0.846 5.145 0.000) 5.214 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( 21.165 13.941 0.000) 25.344 2.091 ( -15.563 5.071 0.000) 16.369 2.414 ( 32.528 6.066 0.000) 33.089 2.862 ( -10.218 3.075 0.000) 10.671 3.395 ( 12.953 14.403 0.000) 19.371 3.666 ( -4.738 4.672 0.000) 6.654 4.012 ( 10.147 -11.241 0.000) 15.144 4.156 ( -4.055 -6.228 0.000) 7.431 4.490 ( 2.613 -6.947 0.000) 7.422 4.557 ( -5.105 -2.801 0.000) 5.824 4.823 ( 17.050 3.715 0.000) 17.450 5.157 ( 7.480 -9.367 0.000) 11.987 5.300 ( -14.498 3.768 0.000) 14.980 5.434 ( -22.698 -8.152 0.000) 24.117 5.586 ( 8.225 -16.008 0.000) 17.997 5.792 ( -12.955 -16.978 0.000) 21.356 6.191 ( 2.816 4.569 0.000) 5.367 6.261 ( -5.595 5.652 0.000) 7.953 6.796 ( 7.815 5.732 0.000) 9.692 6.873 ( 2.439 6.693 0.000) 7.123 7.203 ( 3.698 -6.143 0.000) 7.170 7.333 ( -7.376 0.218 0.000) 7.380 7.490 ( 7.234 -3.566 0.000) 8.065 7.641 ( -8.600 -2.509 0.000) 8.959 7.805 ( 17.140 5.348 0.000) 17.955 8.026 ( -0.810 9.377 0.000) 9.412 8.066 ( 2.792 1.611 0.000) 3.223 8.213 ( -15.705 0.362 0.000) 15.709 8.322 ( 1.260 5.487 0.000) 5.629 8.421 ( -8.256 9.336 0.000) 12.463 8.853 ( 8.415 -7.599 0.000) 11.338 8.871 ( 6.956 2.889 0.000) 7.532 9.148 ( 1.903 -5.498 0.000) 5.818 9.195 ( -6.006 1.172 0.000) 6.119 9.413 ( 1.138 2.743 0.000) 2.969 9.572 ( -15.810 -1.266 0.000) 15.860 9.919 ( 7.309 16.938 0.000) 18.447 10.153 ( -16.309 14.938 0.000) 22.116 11.022 ( 7.525 -38.146 0.000) 38.881 11.136 ( -4.130 -29.075 0.000) 29.367 12.505 ( 9.873 15.092 0.000) 18.034 12.638 ( -2.897 28.408 0.000) 28.555 12.878 ( 17.738 10.314 0.000) 20.518 13.296 ( -22.983 0.555 0.000) 22.990 14.340 ( 14.946 -4.804 0.000) 15.699 14.492 ( 2.350 -6.071 0.000) 6.511 15.003 ( -1.720 -14.327 0.000) 14.430 15.101 ( -9.408 -14.057 0.000) 16.915 17.564 ( -0.216 -0.329 0.000) 0.394 17.592 ( -3.192 1.584 0.000) 3.563 17.950 ( 3.864 -1.932 0.000) 4.320 18.057 ( -7.629 0.857 0.000) 7.677 19.021 ( 14.877 12.052 0.000) 19.146 19.262 ( -10.342 10.115 0.000) 14.466 20.061 ( 8.041 1.898 0.000) 8.262 20.091 ( 5.985 5.215 0.000) 7.938 20.580 ( 8.677 -2.702 0.000) 9.088 20.827 ( -15.257 -1.548 0.000) 15.335 23.275 ( 0.684 -1.861 0.000) 1.982 23.296 ( -1.516 -1.659 0.000) 2.247 23.949 ( 2.738 0.330 0.000) 2.758 24.002 ( -2.909 -0.404 0.000) 2.937 26.062 ( 3.903 4.776 0.000) 6.168 26.120 ( -2.137 5.837 0.000) 6.216 26.783 ( 1.557 -2.247 0.000) 2.734 26.825 ( -2.847 -0.900 0.000) 2.986 27.040 ( 6.531 4.342 0.000) 7.842 27.169 ( -6.888 5.112 0.000) 8.578 28.656 ( 15.376 -15.884 0.000) 22.107 28.963 ( -16.608 -14.864 0.000) 22.289 29.708 ( 1.760 5.606 0.000) 5.876 29.736 ( -1.283 5.878 0.000) 6.016 ======================= Grid point 16 (8/60) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( 23.278 23.278 0.000) 32.920 2.080 ( 22.224 22.224 0.000) 31.429 2.201 ( 2.546 2.546 0.000) 3.600 3.112 ( 6.598 6.598 0.000) 9.331 3.400 ( 2.727 2.727 0.000) 3.857 3.628 ( 21.161 21.161 0.000) 29.926 3.726 ( 1.053 1.053 0.000) 1.489 4.146 ( -10.591 -10.591 0.000) 14.978 4.349 ( 3.441 3.441 0.000) 4.867 4.625 ( -9.737 -9.737 0.000) 13.770 4.965 ( -10.687 -10.687 0.000) 15.114 5.034 ( -0.467 -0.467 0.000) 0.660 5.092 ( -4.156 -4.156 0.000) 5.877 5.270 ( -5.934 -5.934 0.000) 8.392 5.740 ( -12.429 -12.429 0.000) 17.577 5.826 ( -10.465 -10.465 0.000) 14.799 6.187 ( 3.713 3.713 0.000) 5.251 6.479 ( -0.389 -0.389 0.000) 0.549 6.646 ( -4.686 -4.686 0.000) 6.627 6.966 ( 17.131 17.131 0.000) 24.228 7.068 ( -9.218 -9.218 0.000) 13.036 7.284 ( -0.846 -0.846 0.000) 1.196 7.493 ( 5.089 5.089 0.000) 7.197 7.602 ( 2.671 2.671 0.000) 3.778 7.766 ( -0.633 -0.633 0.000) 0.895 8.094 ( 5.372 5.372 0.000) 7.597 8.103 ( 5.638 5.638 0.000) 7.973 8.382 ( 0.793 0.793 0.000) 1.122 8.473 ( -2.701 -2.701 0.000) 3.819 8.509 ( 4.126 4.126 0.000) 5.835 8.766 ( 3.146 3.146 0.000) 4.450 8.830 ( -1.073 -1.073 0.000) 1.517 8.951 ( 4.245 4.245 0.000) 6.003 9.314 ( 0.372 0.372 0.000) 0.526 9.612 ( -5.804 -5.804 0.000) 8.208 9.812 ( -10.609 -10.609 0.000) 15.004 10.086 ( -7.577 -7.577 0.000) 10.716 10.227 ( -22.330 -22.330 0.000) 31.580 10.363 ( 6.149 6.149 0.000) 8.697 11.237 ( 10.148 10.148 0.000) 14.352 12.146 ( -1.047 -1.047 0.000) 1.481 13.015 ( -1.643 -1.643 0.000) 2.323 13.030 ( 22.039 22.039 0.000) 31.168 13.627 ( -3.160 -3.160 0.000) 4.469 14.077 ( 1.209 1.209 0.000) 1.710 14.197 ( 5.530 5.530 0.000) 7.821 14.927 ( -9.964 -9.964 0.000) 14.092 15.041 ( -16.096 -16.096 0.000) 22.764 17.561 ( -1.290 -1.290 0.000) 1.825 17.673 ( -3.995 -3.995 0.000) 5.649 17.870 ( 2.516 2.516 0.000) 3.558 18.170 ( -6.616 -6.616 0.000) 9.356 19.007 ( 16.393 16.393 0.000) 23.183 19.528 ( 1.514 1.514 0.000) 2.142 19.917 ( 11.593 11.593 0.000) 16.395 20.073 ( 10.805 10.805 0.000) 15.281 20.467 ( -2.146 -2.146 0.000) 3.035 20.985 ( -8.866 -8.866 0.000) 12.539 23.243 ( -0.937 -0.937 0.000) 1.325 23.294 ( -2.170 -2.170 0.000) 3.069 23.925 ( 1.587 1.587 0.000) 2.245 24.027 ( -1.785 -1.785 0.000) 2.525 26.071 ( 5.674 5.674 0.000) 8.025 26.223 ( 2.385 2.385 0.000) 3.373 26.739 ( -0.348 -0.348 0.000) 0.491 26.862 ( -2.354 -2.354 0.000) 3.329 27.018 ( 5.892 5.892 0.000) 8.332 27.358 ( 0.276 0.276 0.000) 0.391 28.231 ( -2.031 -2.031 0.000) 2.873 28.972 ( -16.962 -16.962 0.000) 23.989 29.751 ( 3.620 3.620 0.000) 5.119 29.819 ( 1.578 1.578 0.000) 2.232 ======================= Grid point 17 (9/60) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( 14.114 22.371 0.000) 26.451 2.243 ( -1.439 11.003 0.000) 11.097 2.578 ( 28.226 10.339 0.000) 30.060 3.022 ( -14.818 11.880 0.000) 18.993 3.553 ( 6.916 -3.104 0.000) 7.581 3.671 ( -1.885 -2.881 0.000) 3.443 3.802 ( 1.807 -8.030 0.000) 8.231 3.933 ( -9.863 -14.996 0.000) 17.948 4.373 ( -1.065 -6.915 0.000) 6.997 4.553 ( -15.153 -1.703 0.000) 15.249 4.861 ( 23.174 2.690 0.000) 23.329 5.117 ( 9.936 1.567 0.000) 10.059 5.179 ( -3.885 -14.951 0.000) 15.447 5.209 ( 1.784 -9.392 0.000) 9.560 5.480 ( -11.104 1.526 0.000) 11.209 5.587 ( -16.052 3.276 0.000) 16.383 6.248 ( 4.256 0.942 0.000) 4.359 6.362 ( -7.166 3.731 0.000) 8.079 6.696 ( 6.892 -11.925 0.000) 13.774 6.864 ( -10.595 -11.880 0.000) 15.919 7.235 ( 9.066 6.942 0.000) 11.419 7.302 ( 0.727 -5.516 0.000) 5.564 7.517 ( 1.662 7.649 0.000) 7.827 7.607 ( -5.667 3.036 0.000) 6.429 7.913 ( 17.727 5.950 0.000) 18.699 8.178 ( 3.076 8.620 0.000) 9.152 8.189 ( 1.344 7.393 0.000) 7.514 8.276 ( -15.568 5.955 0.000) 16.669 8.440 ( 6.923 6.661 0.000) 9.607 8.622 ( -10.987 9.822 0.000) 14.737 8.719 ( 12.458 -4.895 0.000) 13.385 8.865 ( -0.500 -4.015 0.000) 4.046 9.078 ( 6.248 -1.622 0.000) 6.455 9.226 ( -9.143 0.168 0.000) 9.145 9.465 ( -3.496 2.140 0.000) 4.099 9.544 ( -13.232 -1.173 0.000) 13.283 9.966 ( 0.993 -20.890 0.000) 20.914 10.027 ( -4.829 -26.601 0.000) 27.035 10.701 ( 22.333 14.582 0.000) 26.672 11.116 ( -19.244 23.711 0.000) 30.538 12.394 ( 22.708 -16.451 0.000) 28.041 12.806 ( -18.387 -10.529 0.000) 21.189 13.329 ( 11.288 28.724 0.000) 30.862 13.512 ( -8.623 20.057 0.000) 21.832 14.215 ( 12.993 -7.709 0.000) 15.108 14.356 ( 4.655 -6.605 0.000) 8.081 14.718 ( -9.382 -15.880 0.000) 18.445 14.772 ( -10.680 -18.374 0.000) 21.252 17.558 ( 1.076 -0.211 0.000) 1.096 17.600 ( -3.303 -0.696 0.000) 3.376 17.938 ( 4.477 0.370 0.000) 4.492 18.041 ( -6.441 -2.118 0.000) 6.780 19.286 ( 12.682 14.286 0.000) 19.103 19.471 ( -6.816 10.018 0.000) 12.117 20.121 ( 9.330 4.734 0.000) 10.462 20.232 ( 0.226 9.320 0.000) 9.322 20.511 ( 10.409 -4.519 0.000) 11.347 20.767 ( -13.791 -5.014 0.000) 14.674 23.237 ( 0.363 -1.895 0.000) 1.930 23.256 ( -1.660 -2.257 0.000) 2.801 23.958 ( 1.822 0.584 0.000) 1.913 23.993 ( -1.884 -0.566 0.000) 1.967 26.171 ( 4.517 5.982 0.000) 7.496 26.230 ( -1.514 4.868 0.000) 5.098 26.755 ( 2.005 -0.520 0.000) 2.071 26.807 ( -3.200 -0.868 0.000) 3.316 27.144 ( 7.369 6.535 0.000) 9.849 27.284 ( -6.857 6.259 0.000) 9.284 28.347 ( 12.692 -14.637 0.000) 19.373 28.642 ( -17.476 -17.968 0.000) 25.065 29.803 ( 1.978 3.960 0.000) 4.426 29.826 ( -0.546 3.344 0.000) 3.389 ======================= Grid point 24 (10/60) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.471 ( 11.931 11.931 0.000) 16.872 2.504 ( 15.506 15.506 0.000) 21.928 2.752 ( 10.364 10.364 0.000) 14.657 3.085 ( -13.894 -13.894 0.000) 19.650 3.419 ( -0.236 -0.236 0.000) 0.333 3.526 ( -9.749 -9.749 0.000) 13.788 3.763 ( 4.455 4.455 0.000) 6.300 3.828 ( 1.284 1.284 0.000) 1.816 4.219 ( -5.382 -5.382 0.000) 7.612 4.357 ( -15.698 -15.698 0.000) 22.200 4.875 ( -0.365 -0.365 0.000) 0.516 4.938 ( -8.121 -8.121 0.000) 11.485 5.179 ( 5.398 5.398 0.000) 7.634 5.209 ( 1.928 1.928 0.000) 2.727 5.630 ( 13.431 13.431 0.000) 18.994 5.753 ( 6.167 6.167 0.000) 8.721 6.229 ( -0.630 -0.630 0.000) 0.890 6.352 ( -8.099 -8.099 0.000) 11.454 6.495 ( -2.578 -2.578 0.000) 3.646 6.606 ( -12.117 -12.117 0.000) 17.136 7.234 ( -0.902 -0.902 0.000) 1.275 7.254 ( -2.206 -2.206 0.000) 3.120 7.665 ( 6.424 6.424 0.000) 9.085 7.710 ( 2.313 2.313 0.000) 3.272 8.094 ( 14.123 14.123 0.000) 19.974 8.301 ( -0.914 -0.914 0.000) 1.293 8.319 ( 5.100 5.100 0.000) 7.212 8.350 ( 1.373 1.373 0.000) 1.942 8.548 ( 6.796 6.796 0.000) 9.610 8.666 ( -0.848 -0.848 0.000) 1.199 8.738 ( -1.380 -1.380 0.000) 1.951 8.780 ( -1.992 -1.992 0.000) 2.816 9.078 ( 2.208 2.208 0.000) 3.123 9.168 ( -5.908 -5.908 0.000) 8.356 9.440 ( -5.611 -5.611 0.000) 7.935 9.472 ( -9.048 -9.048 0.000) 12.796 9.623 ( -6.205 -6.205 0.000) 8.775 9.628 ( -7.105 -7.105 0.000) 10.048 11.173 ( 28.083 28.083 0.000) 39.716 11.513 ( 3.974 3.974 0.000) 5.620 12.132 ( 0.040 0.040 0.000) 0.057 12.462 ( -23.181 -23.181 0.000) 32.782 13.794 ( 17.447 17.447 0.000) 24.673 13.830 ( 10.538 10.538 0.000) 14.904 14.117 ( 0.655 0.655 0.000) 0.926 14.309 ( 1.081 1.081 0.000) 1.529 14.369 ( -16.971 -16.971 0.000) 24.001 14.493 ( -12.639 -12.639 0.000) 17.875 17.560 ( 0.573 0.573 0.000) 0.810 17.578 ( -1.259 -1.259 0.000) 1.780 17.957 ( 1.548 1.548 0.000) 2.190 17.995 ( -2.419 -2.419 0.000) 3.421 19.506 ( 8.286 8.286 0.000) 11.719 19.579 ( 0.854 0.854 0.000) 1.207 20.241 ( 7.535 7.535 0.000) 10.656 20.365 ( -2.503 -2.503 0.000) 3.540 20.466 ( 6.505 6.505 0.000) 9.199 20.638 ( -8.661 -8.661 0.000) 12.248 23.213 ( -0.499 -0.499 0.000) 0.706 23.221 ( -1.308 -1.308 0.000) 1.850 23.969 ( 0.654 0.654 0.000) 0.924 23.981 ( -0.613 -0.613 0.000) 0.868 26.261 ( 3.135 3.135 0.000) 4.434 26.283 ( 0.779 0.779 0.000) 1.102 26.764 ( 1.300 1.300 0.000) 1.838 26.790 ( -1.136 -1.136 0.000) 1.606 27.274 ( 6.737 6.737 0.000) 9.527 27.353 ( -0.275 -0.275 0.000) 0.388 28.190 ( -0.358 -0.358 0.000) 0.506 28.332 ( -13.759 -13.759 0.000) 19.458 29.854 ( 1.552 1.552 0.000) 2.194 29.863 ( 0.633 0.633 0.000) 0.895 ======================= Grid point 49 (11/60) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( 0.000 0.000 33.961) 33.961 0.671 ( 0.000 0.000 33.961) 33.961 1.433 ( 0.000 0.000 72.038) 72.038 2.622 ( 0.000 0.000 -9.017) 9.017 3.096 ( 0.000 0.000 5.069) 5.069 3.096 ( 0.000 0.000 5.069) 5.069 3.224 ( 0.000 0.000 18.548) 18.548 4.232 ( 0.000 0.000 -3.997) 3.997 4.232 ( 0.000 0.000 -3.997) 3.997 5.210 ( 0.000 0.000 -1.835) 1.835 5.210 ( 0.000 0.000 -1.835) 1.835 5.261 ( 0.000 0.000 -1.334) 1.334 5.309 ( 0.000 0.000 -9.393) 9.393 5.485 ( 0.000 0.000 1.896) 1.896 5.879 ( 0.000 0.000 -6.316) 6.316 5.879 ( 0.000 0.000 -6.316) 6.316 6.495 ( 0.000 0.000 -3.457) 3.457 6.495 ( 0.000 0.000 -3.457) 3.457 6.566 ( 0.000 0.000 -12.919) 12.919 6.970 ( 0.000 0.000 -15.508) 15.508 7.233 ( 0.000 0.000 -4.435) 4.435 7.233 ( 0.000 0.000 -4.435) 4.435 7.255 ( 0.000 0.000 4.402) 4.402 7.259 ( 0.000 0.000 -1.255) 1.255 7.573 ( 0.000 0.000 -18.817) 18.817 7.988 ( 0.000 0.000 1.901) 1.901 8.157 ( 0.000 0.000 2.745) 2.745 8.157 ( 0.000 0.000 2.745) 2.745 8.323 ( 0.000 0.000 14.912) 14.912 8.523 ( 0.000 0.000 1.475) 1.475 8.523 ( 0.000 0.000 1.475) 1.475 8.562 ( 0.000 0.000 0.469) 0.469 9.770 ( 0.000 0.000 -5.317) 5.317 9.917 ( 0.000 0.000 -1.617) 1.617 9.917 ( 0.000 0.000 -1.617) 1.617 10.131 ( 0.000 0.000 2.045) 2.045 10.371 ( 0.000 0.000 -5.333) 5.333 10.595 ( 0.000 0.000 -4.073) 4.073 10.595 ( 0.000 0.000 -4.073) 4.073 11.024 ( 0.000 0.000 -8.148) 8.148 11.556 ( 0.000 0.000 -2.281) 2.281 11.833 ( 0.000 0.000 -0.308) 0.308 12.307 ( 0.000 0.000 6.044) 6.044 13.560 ( 0.000 0.000 1.509) 1.509 13.560 ( 0.000 0.000 1.509) 1.509 14.170 ( 0.000 0.000 -0.495) 0.495 15.355 ( 0.000 0.000 0.755) 0.755 15.355 ( 0.000 0.000 0.755) 0.755 17.695 ( 0.000 0.000 1.935) 1.935 17.783 ( 0.000 0.000 -1.343) 1.343 17.783 ( 0.000 0.000 -1.343) 1.343 18.067 ( 0.000 0.000 -4.898) 4.898 18.560 ( 0.000 0.000 -7.121) 7.121 18.924 ( 0.000 0.000 3.458) 3.458 19.469 ( 0.000 0.000 -0.826) 0.826 19.469 ( 0.000 0.000 -0.826) 0.826 20.576 ( 0.000 0.000 6.244) 6.244 21.391 ( 0.000 0.000 0.358) 0.358 23.355 ( 0.000 0.000 6.944) 6.944 23.355 ( 0.000 0.000 6.944) 6.944 23.939 ( 0.000 0.000 10.523) 10.523 25.849 ( 0.000 0.000 0.091) 0.091 25.849 ( 0.000 0.000 0.091) 0.091 26.100 ( 0.000 0.000 -2.225) 2.225 26.692 ( 0.000 0.000 -1.117) 1.117 26.887 ( 0.000 0.000 -0.233) 0.233 26.959 ( 0.000 0.000 -1.156) 1.156 27.300 ( 0.000 0.000 -0.148) 0.148 27.300 ( 0.000 0.000 -0.148) 0.148 29.625 ( 0.000 0.000 -4.062) 4.062 29.625 ( 0.000 0.000 -4.062) 4.062 29.706 ( 0.000 0.000 -0.318) 0.318 ======================= Grid point 50 (12/60) ======================= q-point: ( 0.14 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 31.127 0.000 22.669) 38.507 1.156 ( 29.856 0.000 29.129) 41.712 1.848 ( 43.379 0.000 43.406) 61.366 2.593 ( -0.358 0.000 -4.418) 4.432 2.857 ( -12.368 0.000 9.025) 15.311 3.159 ( 6.004 0.000 3.392) 6.896 3.574 ( 21.767 0.000 10.368) 24.110 4.259 ( 3.049 0.000 -4.047) 5.067 4.416 ( 6.583 0.000 -7.424) 9.923 5.014 ( -12.814 0.000 -4.041) 13.436 5.118 ( -15.704 0.000 -10.105) 18.674 5.288 ( 3.590 0.000 -1.162) 3.773 5.354 ( 5.662 0.000 -6.938) 8.955 5.696 ( 4.988 0.000 -7.026) 8.617 5.810 ( -6.513 0.000 -5.944) 8.818 5.874 ( 4.870 0.000 -1.586) 5.121 6.330 ( -7.818 0.000 -3.552) 8.588 6.454 ( -3.498 0.000 -2.742) 4.445 6.646 ( -11.161 0.000 -3.865) 11.811 6.693 ( -3.819 0.000 -4.593) 5.974 7.165 ( 3.171 0.000 -3.326) 4.596 7.215 ( 2.147 0.000 -1.708) 2.743 7.292 ( -4.982 0.000 -8.798) 10.111 7.377 ( 8.020 0.000 0.951) 8.076 7.779 ( 14.265 0.000 -13.821) 19.862 7.953 ( -2.766 0.000 0.035) 2.767 8.090 ( -2.918 0.000 4.743) 5.569 8.231 ( 5.662 0.000 3.580) 6.699 8.375 ( 5.363 0.000 6.529) 8.449 8.430 ( -5.456 0.000 2.892) 6.175 8.524 ( -0.410 0.000 0.520) 0.662 8.732 ( 9.800 0.000 -7.579) 12.388 9.329 ( -15.989 0.000 5.265) 16.833 9.634 ( -19.392 0.000 0.099) 19.392 9.762 ( -17.190 0.000 -2.063) 17.314 9.900 ( -9.539 0.000 2.307) 9.814 10.252 ( -24.157 0.000 -2.566) 24.292 10.482 ( 9.490 0.000 -1.226) 9.568 11.115 ( 16.057 0.000 -1.334) 16.112 11.612 ( 5.501 0.000 -3.548) 6.546 11.745 ( -0.265 0.000 -4.322) 4.330 11.975 ( 35.116 0.000 -37.783) 51.582 12.299 ( 0.696 0.000 5.592) 5.635 13.716 ( 14.985 0.000 1.335) 15.044 13.794 ( 18.580 0.000 -9.823) 21.016 14.076 ( -7.144 0.000 -0.456) 7.158 15.341 ( -3.603 0.000 -3.821) 5.251 15.355 ( -0.475 0.000 0.268) 0.546 17.593 ( -4.135 0.000 -3.712) 5.556 17.677 ( -7.885 0.000 -3.734) 8.725 17.945 ( 4.667 0.000 -7.068) 8.469 18.204 ( 10.093 0.000 -4.143) 10.911 18.469 ( -7.997 0.000 -1.358) 8.112 19.070 ( 15.713 0.000 0.322) 15.716 19.512 ( 4.217 0.000 -5.246) 6.731 19.652 ( 14.058 0.000 -1.788) 14.171 20.579 ( 0.377 0.000 6.174) 6.186 21.318 ( -7.339 0.000 1.138) 7.427 23.358 ( 0.273 0.000 7.108) 7.114 23.390 ( 2.356 0.000 5.771) 6.233 23.947 ( 1.126 0.000 10.515) 10.575 24.987 ( -43.091 0.000 41.772) 60.015 25.879 ( 2.991 0.000 0.019) 2.991 26.074 ( -0.235 0.000 -0.100) 0.256 26.715 ( 2.277 0.000 -1.551) 2.755 26.874 ( -1.264 0.000 -0.005) 1.264 26.924 ( -1.346 0.000 -2.784) 3.092 27.288 ( -1.441 0.000 0.362) 1.486 28.040 ( 34.070 0.000 -24.003) 41.676 29.532 ( -7.100 0.000 -1.775) 7.318 29.622 ( -0.622 0.000 -4.396) 4.439 29.631 ( -5.892 0.000 -2.538) 6.416 ======================= Grid point 51 (13/60) ======================= q-point: ( 0.29 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 20.556 0.000 33.407) 39.225 1.757 ( 33.880 0.000 11.696) 35.842 2.497 ( -2.240 0.000 6.983) 7.333 2.711 ( 17.137 0.000 4.933) 17.833 2.802 ( 17.041 0.000 2.613) 17.240 3.378 ( 19.698 0.000 6.953) 20.889 3.929 ( 15.129 0.000 5.233) 16.008 4.313 ( -2.101 0.000 -1.076) 2.361 4.458 ( 4.557 0.000 2.776) 5.336 4.742 ( -20.191 0.000 -10.876) 22.934 4.784 ( -10.016 0.000 -3.959) 10.770 5.317 ( -3.195 0.000 -2.195) 3.877 5.499 ( 8.175 0.000 -5.950) 10.112 5.552 ( -7.940 0.000 -1.517) 8.084 5.670 ( -7.957 0.000 -6.454) 10.246 6.045 ( 2.004 0.000 -1.661) 2.603 6.202 ( -4.528 0.000 0.386) 4.544 6.430 ( 2.781 0.000 -1.327) 3.082 6.443 ( -9.225 0.000 -2.373) 9.526 6.690 ( 1.698 0.000 -5.738) 5.984 7.181 ( -0.670 0.000 -7.730) 7.759 7.286 ( 3.622 0.000 -10.191) 10.815 7.312 ( 6.375 0.000 -4.072) 7.564 7.501 ( 4.730 0.000 -1.181) 4.875 7.848 ( -7.357 0.000 -0.698) 7.390 7.911 ( 0.264 0.000 -2.955) 2.966 8.123 ( 2.237 0.000 3.608) 4.245 8.288 ( 0.432 0.000 7.594) 7.606 8.333 ( -3.321 0.000 -4.342) 5.467 8.523 ( 1.365 0.000 4.469) 4.672 8.575 ( 13.609 0.000 0.224) 13.611 8.883 ( 6.501 0.000 -11.780) 13.455 9.149 ( -10.668 0.000 -3.397) 11.195 9.314 ( -15.249 0.000 -0.607) 15.261 9.383 ( -11.727 0.000 0.610) 11.743 9.720 ( -10.386 0.000 2.999) 10.810 9.909 ( -11.936 0.000 -3.290) 12.381 10.357 ( -20.045 0.000 -1.140) 20.078 11.385 ( 12.707 0.000 -0.696) 12.726 11.736 ( 6.032 0.000 -4.046) 7.263 11.772 ( 4.311 0.000 -1.131) 4.457 12.220 ( -0.818 0.000 -9.973) 10.006 12.461 ( 16.440 0.000 -1.589) 16.516 13.723 ( -18.027 0.000 -0.385) 18.031 14.059 ( 19.218 0.000 0.759) 19.233 14.284 ( 19.688 0.000 -8.590) 21.480 15.212 ( -8.888 0.000 -5.101) 10.248 15.315 ( -4.316 0.000 -1.321) 4.513 17.524 ( -3.584 0.000 -7.253) 8.090 17.547 ( -5.340 0.000 -6.068) 8.083 17.964 ( -0.428 0.000 -4.362) 4.383 18.179 ( -8.875 0.000 0.142) 8.876 18.566 ( 15.018 0.000 -2.666) 15.253 19.250 ( -0.759 0.000 -2.227) 2.353 19.704 ( 17.327 0.000 -5.187) 18.086 19.910 ( 12.510 0.000 1.384) 12.586 20.592 ( 1.155 0.000 5.776) 5.890 21.127 ( -12.733 0.000 1.553) 12.827 23.366 ( 0.547 0.000 7.582) 7.602 23.412 ( -0.007 0.000 7.117) 7.117 23.991 ( 3.678 0.000 10.888) 11.493 24.464 ( -17.297 0.000 30.524) 35.084 25.948 ( 3.935 0.000 -0.110) 3.936 26.069 ( -0.396 0.000 -0.133) 0.418 26.758 ( 1.647 0.000 -3.038) 3.456 26.842 ( -2.180 0.000 -1.406) 2.594 26.925 ( 2.345 0.000 -0.328) 2.368 27.237 ( -4.099 0.000 1.312) 4.304 28.483 ( 17.585 0.000 -10.216) 20.337 29.364 ( -12.084 0.000 -3.370) 12.545 29.546 ( -1.446 0.000 -6.208) 6.374 29.610 ( -0.963 0.000 -5.483) 5.567 ======================= Grid point 52 (14/60) ======================= q-point: ( 0.43 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( 17.592 0.000 26.915) 32.154 2.200 ( -10.351 0.000 13.515) 17.024 2.419 ( 24.120 0.000 6.924) 25.094 2.843 ( -13.264 0.000 -2.710) 13.538 3.168 ( 26.636 0.000 -2.364) 26.741 3.582 ( -10.175 0.000 -2.725) 10.534 4.136 ( 6.407 0.000 1.172) 6.514 4.226 ( -3.326 0.000 2.110) 3.939 4.521 ( -2.851 0.000 -6.752) 7.329 4.530 ( -2.927 0.000 -5.560) 6.283 4.857 ( 24.505 0.000 9.033) 26.117 5.280 ( 0.924 0.000 0.191) 0.943 5.348 ( -13.447 0.000 5.994) 14.722 5.490 ( -11.580 0.000 -3.173) 12.007 5.704 ( 11.303 0.000 -5.540) 12.587 5.919 ( -10.635 0.000 -2.930) 11.031 6.160 ( -0.943 0.000 0.779) 1.224 6.227 ( -9.455 0.000 0.530) 9.470 6.604 ( 11.102 0.000 -4.637) 12.031 6.727 ( -0.943 0.000 -7.215) 7.276 7.217 ( 5.095 0.000 -6.447) 8.218 7.318 ( -2.463 0.000 -5.636) 6.151 7.419 ( 5.954 0.000 -7.224) 9.361 7.545 ( -3.676 0.000 -10.798) 11.407 7.714 ( -0.158 0.000 -2.570) 2.575 7.844 ( -8.167 0.000 -6.069) 10.175 8.148 ( 3.456 0.000 3.968) 5.262 8.238 ( -5.481 0.000 0.649) 5.519 8.338 ( 4.907 0.000 11.118) 12.153 8.480 ( -8.448 0.000 11.216) 14.042 8.816 ( 9.371 0.000 -0.989) 9.423 8.905 ( -2.302 0.000 -2.791) 3.618 9.032 ( 6.355 0.000 -12.430) 13.961 9.182 ( -7.680 0.000 -8.508) 11.462 9.361 ( 8.504 0.000 -1.294) 8.602 9.546 ( -8.385 0.000 0.717) 8.416 9.763 ( -2.525 0.000 -0.554) 2.585 9.927 ( -20.224 0.000 -0.479) 20.230 11.588 ( 8.968 0.000 -1.001) 9.023 11.722 ( -4.977 0.000 -1.405) 5.171 11.940 ( 10.614 0.000 -3.689) 11.237 12.125 ( -8.277 0.000 -5.187) 9.768 12.860 ( 24.461 0.000 1.018) 24.483 13.322 ( -23.710 0.000 0.760) 23.722 14.394 ( 15.088 0.000 0.785) 15.109 14.535 ( 3.452 0.000 -1.694) 3.845 15.089 ( -0.909 0.000 -6.812) 6.872 15.191 ( -8.249 0.000 -4.521) 9.407 17.470 ( -1.323 0.000 -8.071) 8.179 17.480 ( -2.135 0.000 -7.423) 7.724 17.971 ( 1.680 0.000 -1.487) 2.244 18.038 ( -5.571 0.000 0.182) 5.574 18.861 ( 15.332 0.000 -3.254) 15.674 19.117 ( -11.357 0.000 -3.456) 11.871 20.015 ( 11.946 0.000 -1.014) 11.989 20.083 ( 4.369 0.000 1.647) 4.669 20.651 ( 6.602 0.000 4.391) 7.929 20.862 ( -14.388 0.000 2.214) 14.557 23.379 ( 0.925 0.000 8.166) 8.218 23.399 ( -1.092 0.000 8.273) 8.344 24.084 ( 6.174 0.000 13.614) 14.949 24.227 ( -9.397 0.000 19.725) 21.849 26.014 ( 2.913 0.000 -0.170) 2.918 26.054 ( -1.378 0.000 -0.156) 1.387 26.777 ( 0.801 0.000 -3.421) 3.514 26.801 ( -1.863 0.000 -2.889) 3.438 27.013 ( 6.298 0.000 1.550) 6.486 27.136 ( -6.359 0.000 1.796) 6.608 28.791 ( 16.101 0.000 -4.268) 16.657 29.094 ( -15.830 0.000 -3.150) 16.140 29.554 ( 1.504 0.000 -7.872) 8.014 29.585 ( -1.582 0.000 -6.921) 7.100 ======================= Grid point 57 (15/60) ======================= q-point: ( 0.14 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 22.988 22.988 14.895) 35.760 1.325 ( 15.462 15.462 34.471) 40.821 2.323 ( 40.956 40.956 27.760) 64.230 2.459 ( -7.993 -7.993 5.577) 12.605 2.838 ( -0.607 -0.607 -4.735) 4.812 3.304 ( 8.349 8.349 7.836) 14.170 3.638 ( 8.378 8.378 8.329) 14.483 4.237 ( 0.946 0.946 -1.903) 2.326 4.467 ( 0.419 0.419 -3.973) 4.017 4.985 ( -6.805 -6.805 -3.730) 10.321 5.132 ( -7.464 -7.464 -7.166) 12.759 5.137 ( -2.275 -2.275 -1.395) 3.507 5.275 ( -5.508 -5.508 -10.211) 12.843 5.624 ( -10.733 -10.733 -2.594) 15.399 5.847 ( 4.800 4.800 -8.399) 10.800 5.987 ( 5.836 5.836 -4.927) 9.612 6.194 ( -8.166 -8.166 -3.104) 11.958 6.438 ( -1.950 -1.950 1.205) 3.009 6.601 ( -3.171 -3.171 -2.202) 4.996 6.708 ( 0.961 0.961 -6.373) 6.516 7.182 ( 1.272 1.272 -4.016) 4.401 7.204 ( -0.479 -0.479 -2.617) 2.703 7.275 ( 1.629 1.629 -5.036) 5.538 7.455 ( 5.169 5.169 -0.469) 7.325 7.829 ( 3.325 3.325 -8.326) 9.562 7.933 ( -0.987 -0.987 -1.822) 2.295 8.095 ( -1.244 -1.244 5.889) 6.146 8.254 ( 4.832 4.832 3.239) 7.563 8.412 ( 5.219 5.219 -4.427) 8.606 8.507 ( 3.008 3.008 2.446) 4.907 8.566 ( 0.754 0.754 1.056) 1.501 8.718 ( 2.637 2.637 -5.698) 6.809 9.157 ( -20.088 -20.088 -0.193) 28.410 9.304 ( -4.442 -4.442 3.333) 7.111 9.822 ( -4.140 -4.140 -1.502) 6.045 10.060 ( -1.047 -1.047 -2.700) 3.079 10.228 ( -12.303 -12.303 -3.441) 17.736 10.652 ( -9.706 -9.706 -2.726) 13.995 10.741 ( 12.337 12.337 0.935) 17.473 11.157 ( -20.873 -20.873 -0.960) 29.535 12.184 ( 19.954 19.954 -2.272) 28.311 12.256 ( -1.469 -1.469 3.727) 4.267 12.447 ( 24.232 24.232 -27.882) 44.179 13.772 ( 3.434 3.434 -7.642) 9.054 13.876 ( 11.448 11.448 1.028) 16.222 14.007 ( -5.410 -5.410 -1.643) 7.826 15.235 ( -6.123 -6.123 0.376) 8.668 15.376 ( -3.166 -3.166 -3.716) 5.818 17.540 ( -3.066 -3.066 -8.023) 9.120 17.759 ( 0.068 0.068 -3.871) 3.872 17.817 ( -4.871 -4.871 -5.049) 8.541 18.378 ( 14.111 14.111 -2.943) 20.172 18.390 ( -7.857 -7.857 -4.054) 11.828 19.279 ( 17.812 17.812 -1.465) 25.233 19.480 ( 0.690 0.690 -0.636) 1.164 19.760 ( 8.212 8.212 -3.382) 12.096 20.576 ( -0.268 -0.268 6.256) 6.268 21.268 ( -5.646 -5.646 0.778) 8.022 23.350 ( -0.295 -0.295 7.516) 7.528 23.408 ( 0.951 0.951 6.065) 6.213 23.958 ( 1.306 1.306 10.411) 10.574 24.705 ( -20.431 -20.431 38.416) 48.069 25.902 ( 2.919 2.919 -0.052) 4.128 26.121 ( 2.321 2.321 -0.442) 3.311 26.723 ( 0.676 0.676 -1.938) 2.161 26.885 ( 1.179 1.179 0.593) 1.769 26.905 ( -1.700 -1.700 -3.241) 4.036 27.327 ( 1.092 1.092 -0.175) 1.554 28.139 ( 9.321 9.321 -15.041) 19.999 29.445 ( -9.438 -9.438 -3.826) 13.884 29.566 ( 0.154 0.154 -3.333) 3.340 29.689 ( 1.121 1.121 -5.581) 5.802 ======================= Grid point 58 (16/60) ======================= q-point: ( 0.29 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 18.652 11.694 29.503) 36.811 1.817 ( 32.092 8.573 7.310) 34.012 2.377 ( -0.762 -7.838 10.089) 12.799 2.811 ( -0.150 8.094 -6.137) 10.158 3.083 ( 27.678 24.915 4.671) 37.532 3.500 ( 16.809 9.721 10.000) 21.841 3.840 ( 11.402 -6.947 4.541) 14.103 4.252 ( -3.074 -3.594 0.586) 4.765 4.450 ( 1.448 -3.405 1.612) 4.036 4.746 ( -18.285 -1.572 -3.981) 18.779 4.830 ( -12.004 6.262 -4.882) 14.392 5.139 ( -3.505 -13.157 -2.125) 13.781 5.316 ( 6.265 -14.546 -7.089) 17.352 5.466 ( -3.558 -11.922 -0.429) 12.449 5.777 ( -10.151 3.466 -7.275) 12.961 6.010 ( -6.975 -5.511 0.493) 8.903 6.084 ( -0.497 -3.627 -4.306) 5.652 6.446 ( -5.342 3.395 1.477) 6.500 6.606 ( 6.283 12.369 -3.714) 14.362 6.705 ( 3.122 0.760 -4.315) 5.380 7.176 ( -1.430 -2.416 -3.426) 4.429 7.252 ( 4.449 -0.471 -6.458) 7.857 7.369 ( 6.607 1.639 -5.074) 8.490 7.511 ( 1.650 2.256 -3.251) 4.287 7.817 ( -4.847 -2.022 -0.802) 5.312 7.941 ( 1.289 2.393 -5.027) 5.714 8.085 ( 0.824 0.052 5.886) 5.944 8.338 ( -1.142 2.895 -1.938) 3.666 8.412 ( -2.489 5.529 2.641) 6.613 8.565 ( 3.166 2.044 0.640) 3.822 8.659 ( 10.269 7.191 -2.853) 12.857 8.770 ( -0.828 -7.752 -1.848) 8.012 8.953 ( 0.565 -8.503 -4.858) 9.809 9.223 ( -5.247 -0.476 -4.146) 6.704 9.622 ( -17.202 4.707 0.702) 17.848 9.854 ( -12.788 7.407 -3.987) 15.307 9.933 ( -12.522 5.717 -0.783) 13.787 10.444 ( -14.390 0.401 -2.393) 14.593 10.880 ( 4.697 -37.490 -0.807) 37.792 11.134 ( 5.891 -15.150 0.159) 16.256 12.318 ( 9.771 -4.659 3.737) 11.451 12.471 ( 12.450 31.369 -2.097) 33.814 12.686 ( 3.972 25.570 -12.476) 28.727 13.671 ( -16.229 -4.755 -1.298) 16.961 14.039 ( 14.432 -1.507 -0.992) 14.544 14.218 ( 18.180 -5.113 -4.603) 19.439 15.099 ( -8.669 -8.841 -1.437) 12.466 15.251 ( -9.222 -8.477 -2.941) 12.867 17.489 ( -2.170 -1.479 -9.173) 9.541 17.627 ( -7.065 4.526 -4.682) 9.608 17.854 ( 2.722 -7.233 -3.832) 8.626 18.194 ( -10.665 -2.465 -3.783) 11.581 18.691 ( 17.154 13.140 -2.337) 21.735 19.382 ( -4.257 11.403 -1.037) 12.216 19.743 ( 21.096 4.970 -2.636) 21.833 19.939 ( 10.535 3.430 0.414) 11.087 20.574 ( 0.314 -1.776 6.006) 6.271 21.102 ( -11.791 -3.130 0.999) 12.240 23.351 ( 0.402 -1.142 8.090) 8.180 23.410 ( -0.743 -0.537 7.649) 7.704 24.001 ( 3.332 1.057 10.782) 11.335 24.392 ( -12.676 -6.486 27.172) 30.677 25.977 ( 4.577 3.431 -0.217) 5.724 26.139 ( -0.223 5.410 -0.424) 5.432 26.734 ( 0.475 -1.822 -2.629) 3.234 26.851 ( -3.223 -0.270 -3.091) 4.473 26.945 ( 4.634 2.831 0.822) 5.492 27.292 ( -4.347 4.830 0.609) 6.526 28.354 ( 13.172 -10.505 -5.559) 17.742 29.224 ( -13.916 -12.614 -3.377) 19.084 29.587 ( 1.761 4.335 -7.256) 8.634 29.687 ( -0.919 4.627 -6.209) 7.798 ======================= Grid point 59 (17/60) ======================= q-point: ( 0.43 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( 15.683 9.167 22.511) 28.927 2.222 ( -5.601 2.691 11.526) 13.094 2.460 ( 23.397 4.493 5.226) 24.391 2.810 ( -6.683 1.678 -4.992) 8.509 3.373 ( 13.416 15.152 -1.157) 20.271 3.652 ( -8.599 5.279 -1.997) 10.285 4.023 ( 6.929 -10.779 1.149) 12.866 4.159 ( -6.197 -7.594 0.673) 9.824 4.451 ( -2.723 -6.620 -4.653) 8.538 4.508 ( -6.280 -0.156 -3.401) 7.143 4.899 ( 24.001 3.013 7.597) 25.355 5.158 ( 8.011 -8.730 0.125) 11.849 5.334 ( -8.278 -3.495 2.139) 9.236 5.407 ( -12.768 -11.163 -3.215) 17.262 5.603 ( 1.378 -6.610 0.953) 6.819 5.787 ( -13.798 -12.497 0.857) 18.636 6.136 ( 4.841 2.744 -3.807) 6.742 6.266 ( -9.356 4.072 -0.087) 10.204 6.737 ( 7.320 6.281 -5.633) 11.169 6.812 ( 1.885 8.682 -5.577) 10.489 7.183 ( 3.654 -4.496 -2.277) 6.225 7.279 ( -3.424 -0.607 -4.395) 5.604 7.460 ( 5.414 0.518 -4.741) 7.215 7.570 ( -1.228 2.480 -8.625) 9.059 7.738 ( 3.127 2.846 -3.393) 5.421 7.900 ( -7.647 5.937 -9.755) 13.743 8.133 ( 4.546 0.019 4.282) 6.246 8.236 ( -6.308 0.654 0.995) 6.420 8.404 ( 2.184 5.019 7.558) 9.332 8.510 ( -7.788 3.595 6.829) 10.964 8.825 ( 8.595 -4.128 -2.781) 9.932 8.870 ( 6.048 1.854 0.297) 6.333 9.020 ( 4.009 -1.477 -10.996) 11.797 9.119 ( -5.148 -1.941 -6.681) 8.654 9.408 ( -2.958 2.677 -1.376) 4.220 9.538 ( -15.071 -2.208 -2.633) 15.458 9.915 ( 6.477 14.925 -0.980) 16.299 10.135 ( -15.831 12.886 -2.065) 20.517 11.017 ( 7.583 -36.867 -0.563) 37.643 11.132 ( -4.256 -26.666 -0.303) 27.005 12.505 ( 7.751 19.770 -0.259) 21.237 12.610 ( -2.553 29.564 -2.949) 29.821 12.856 ( 20.887 6.731 -1.814) 22.020 13.292 ( -22.893 -1.276 -0.345) 22.931 14.344 ( 15.234 -5.357 0.245) 16.150 14.477 ( 5.198 -5.844 -1.516) 7.967 14.953 ( -3.129 -12.218 -4.387) 13.354 15.057 ( -10.519 -13.455 -4.109) 17.567 17.474 ( 0.848 0.845 -7.967) 8.057 17.522 ( -4.174 2.839 -6.217) 8.009 17.914 ( 4.144 -4.172 -3.277) 6.732 18.021 ( -7.422 -2.515 -3.234) 8.478 18.996 ( 14.904 12.999 -2.191) 19.897 19.238 ( -10.593 11.427 -1.986) 15.708 20.062 ( 10.601 4.451 -0.081) 11.498 20.109 ( 5.341 3.290 1.233) 6.393 20.624 ( 6.934 -2.737 4.409) 8.661 20.846 ( -14.538 -1.945 1.856) 14.785 23.364 ( 1.006 -1.402 8.635) 8.806 23.388 ( -1.376 -1.210 8.680) 8.871 24.082 ( 5.350 -0.088 13.173) 14.219 24.205 ( -7.865 -2.121 18.378) 20.102 26.059 ( 3.872 4.634 -0.331) 6.047 26.116 ( -2.124 5.668 -0.377) 6.065 26.750 ( 1.419 -2.076 -3.051) 3.954 26.791 ( -2.877 -1.160 -3.265) 4.504 27.055 ( 6.711 4.153 1.357) 8.008 27.184 ( -6.697 4.673 1.372) 8.281 28.628 ( 15.812 -14.665 -2.845) 21.752 28.935 ( -16.350 -14.446 -2.805) 21.997 29.625 ( 2.095 5.806 -7.915) 10.038 29.662 ( -1.717 5.757 -7.052) 9.264 ======================= Grid point 65 (18/60) ======================= q-point: ( 0.29 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( 18.542 18.542 21.232) 33.740 2.079 ( 17.611 17.611 1.357) 24.943 2.323 ( 3.479 3.479 10.024) 11.166 2.961 ( 5.689 5.689 -12.854) 15.165 3.427 ( 7.564 7.564 4.324) 11.537 3.715 ( 10.568 10.568 7.362) 16.660 3.770 ( 0.889 0.889 2.911) 3.171 4.147 ( -10.207 -10.207 -0.580) 14.447 4.410 ( 2.344 2.344 5.115) 6.095 4.658 ( -7.262 -7.262 3.291) 10.784 4.878 ( -10.960 -10.960 -10.133) 18.518 4.961 ( 1.127 1.127 -6.029) 6.236 5.081 ( -8.444 -8.444 0.962) 11.980 5.249 ( -2.032 -2.032 -0.075) 2.875 5.698 ( -8.371 -8.371 -4.255) 12.579 5.910 ( -6.697 -6.697 6.023) 11.224 6.107 ( 4.349 4.349 -5.908) 8.528 6.488 ( -1.524 -1.524 -0.274) 2.173 6.638 ( -3.656 -3.656 -0.699) 5.218 6.923 ( 16.677 16.677 -4.109) 23.940 7.067 ( -8.334 -8.334 -0.273) 11.789 7.255 ( 1.321 1.321 -2.423) 3.059 7.438 ( 5.395 5.395 -5.318) 9.300 7.543 ( 1.588 1.588 -5.229) 5.692 7.778 ( -2.164 -2.164 -1.196) 3.286 8.014 ( 4.567 4.567 -7.685) 10.038 8.115 ( 2.772 2.772 1.386) 4.158 8.398 ( -0.983 -0.983 -0.810) 1.609 8.450 ( -1.720 -1.720 -2.622) 3.577 8.522 ( 4.269 4.269 1.987) 6.356 8.794 ( 2.635 2.635 0.206) 3.732 8.840 ( 7.490 7.490 -6.620) 12.491 8.847 ( 0.002 0.002 1.872) 1.872 9.197 ( -2.810 -2.810 -9.278) 10.093 9.623 ( -5.964 -5.964 -0.714) 8.464 9.771 ( -11.030 -11.030 -3.852) 16.068 10.030 ( -7.382 -7.382 -4.884) 11.526 10.208 ( -22.039 -22.039 -1.841) 31.222 10.393 ( 6.537 6.537 2.093) 9.478 11.262 ( 10.161 10.161 2.347) 14.561 12.180 ( -1.710 -1.710 3.229) 4.034 12.978 ( 2.594 2.594 -4.181) 5.563 12.998 ( 21.894 21.894 -3.130) 31.121 13.584 ( -4.422 -4.422 -4.207) 7.538 14.036 ( 2.864 2.864 -3.179) 5.149 14.202 ( 5.397 5.397 0.450) 7.646 14.923 ( -10.190 -10.190 -0.435) 14.417 15.009 ( -15.789 -15.789 -2.780) 22.501 17.473 ( -0.032 -0.032 -8.139) 8.139 17.638 ( -3.707 -3.707 -2.850) 5.967 17.795 ( 1.516 1.516 -7.082) 7.400 18.088 ( -7.353 -7.353 -6.742) 12.393 18.991 ( 16.776 16.776 -1.438) 23.769 19.526 ( 1.623 1.623 -0.225) 2.306 19.929 ( 13.553 13.553 0.635) 19.177 20.061 ( 9.962 9.962 -0.875) 14.116 20.533 ( -2.197 -2.197 6.120) 6.864 20.991 ( -8.818 -8.818 0.732) 12.492 23.334 ( -0.492 -0.492 8.924) 8.951 23.389 ( -1.567 -1.567 8.819) 9.093 24.031 ( 2.200 2.200 10.977) 11.409 24.265 ( -6.409 -6.409 20.849) 22.733 26.067 ( 5.566 5.566 -0.465) 7.885 26.217 ( 2.366 2.366 -0.630) 3.404 26.709 ( -0.559 -0.559 -2.778) 2.888 26.822 ( -2.495 -2.495 -3.777) 5.169 27.030 ( 5.874 5.874 1.119) 8.383 27.356 ( 0.304 0.304 -0.137) 0.451 28.224 ( -0.797 -0.797 -0.806) 1.386 28.944 ( -16.472 -16.472 -2.711) 23.452 29.668 ( 3.720 3.720 -8.071) 9.635 29.745 ( 1.513 1.513 -6.764) 7.094 ======================= Grid point 66 (19/60) ======================= q-point: ( 0.43 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( 9.925 16.916 12.496) 23.255 2.323 ( 2.435 8.599 7.472) 11.650 2.581 ( 23.491 7.313 0.579) 24.610 2.941 ( -10.012 9.755 -7.484) 15.856 3.555 ( 7.468 0.797 1.459) 7.651 3.693 ( -4.782 -1.099 1.965) 5.286 3.834 ( 1.110 -6.399 2.476) 6.951 3.938 ( -9.889 -13.180 0.698) 16.492 4.342 ( -2.529 -5.199 -3.834) 6.937 4.507 ( -14.770 -1.239 -4.361) 15.450 4.842 ( 8.191 -15.946 -2.398) 18.087 4.933 ( -1.158 -20.344 -8.825) 22.206 5.175 ( 15.052 5.240 3.563) 16.332 5.336 ( 4.160 4.048 3.621) 6.841 5.547 ( -4.303 2.722 6.130) 7.969 5.724 ( -14.400 5.136 10.924) 18.790 6.198 ( 5.985 1.851 -4.083) 7.478 6.343 ( -9.265 3.238 -1.375) 9.911 6.687 ( 7.025 -9.548 -0.858) 11.885 6.861 ( -10.912 -9.149 -0.266) 14.243 7.197 ( 9.698 7.480 -3.569) 12.757 7.289 ( -0.026 -1.721 -1.241) 2.122 7.478 ( 2.600 5.550 -4.284) 7.478 7.574 ( -4.040 -0.306 -4.150) 5.800 7.843 ( 12.745 7.575 -6.984) 16.389 8.053 ( -3.405 9.216 -10.360) 14.278 8.175 ( 3.319 3.992 -1.540) 5.415 8.282 ( -9.308 3.962 -0.749) 10.144 8.473 ( 5.384 1.739 1.381) 5.824 8.589 ( -3.317 3.236 -3.184) 5.622 8.790 ( 5.132 2.211 5.454) 7.808 8.879 ( -0.293 -1.579 1.373) 2.113 8.995 ( 6.440 -0.846 -6.704) 9.335 9.113 ( -5.945 -0.437 -9.068) 10.852 9.451 ( -6.286 1.610 -1.918) 6.767 9.503 ( -12.627 -1.346 -3.593) 13.197 9.932 ( 0.615 -20.123 -3.219) 20.388 9.989 ( -5.051 -25.718 -3.577) 26.452 10.726 ( 22.273 14.293 2.132) 26.550 11.142 ( -19.281 23.523 2.396) 30.510 12.416 ( 22.209 -16.945 2.128) 28.016 12.816 ( -17.279 -9.666 0.929) 19.820 13.295 ( 11.030 28.801 -3.500) 31.039 13.468 ( -7.962 19.731 -4.536) 21.755 14.207 ( 13.912 -8.010 -0.830) 16.074 14.353 ( 5.163 -5.927 -0.286) 7.866 14.694 ( -10.535 -15.826 -2.288) 19.149 14.748 ( -10.851 -16.692 -2.159) 20.025 17.493 ( 2.242 1.119 -6.135) 6.627 17.555 ( -4.198 0.397 -4.235) 5.976 17.855 ( 4.268 -1.766 -7.537) 8.840 17.954 ( -6.358 -3.996 -7.467) 10.590 19.276 ( 12.965 14.874 -0.881) 19.751 19.466 ( -7.082 10.603 -0.416) 12.757 20.151 ( 9.330 5.390 2.378) 11.034 20.237 ( 3.098 9.796 0.057) 10.275 20.551 ( 7.456 -5.076 4.122) 9.917 20.779 ( -13.283 -5.384 1.240) 14.387 23.336 ( 0.654 -1.426 9.539) 9.667 23.358 ( -1.585 -1.814 9.583) 9.881 24.084 ( 3.389 0.299 12.398) 12.856 24.160 ( -4.768 -2.388 15.625) 16.510 26.166 ( 4.495 5.901 -0.612) 7.443 26.224 ( -1.511 4.831 -0.632) 5.101 26.719 ( 1.677 -0.847 -3.326) 3.820 26.767 ( -3.071 -1.206 -3.794) 5.028 27.156 ( 7.248 6.334 1.061) 9.684 27.290 ( -6.370 5.742 0.551) 8.594 28.343 ( 12.168 -13.499 -0.503) 18.181 28.626 ( -16.825 -17.202 -1.641) 24.119 29.723 ( 2.208 4.137 -7.801) 9.102 29.751 ( -0.686 3.348 -7.221) 7.989 ======================= Grid point 73 (20/60) ======================= q-point: ( 0.43 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.501 ( 11.005 11.005 1.600) 15.645 2.606 ( 12.744 12.744 9.597) 20.419 2.670 ( 6.919 6.919 -8.105) 12.705 2.985 ( -10.480 -10.480 -7.789) 16.743 3.511 ( 0.556 0.556 8.975) 9.009 3.593 ( -7.021 -7.021 6.905) 12.094 3.796 ( 4.563 4.563 2.028) 6.764 3.878 ( 2.465 2.465 4.527) 5.713 4.219 ( -5.430 -5.430 -2.335) 8.026 4.383 ( -15.974 -15.974 0.613) 22.599 4.553 ( -5.821 -5.821 -17.893) 19.696 4.584 ( -9.561 -9.561 -19.995) 24.138 5.406 ( 9.476 9.476 10.341) 16.928 5.443 ( 4.321 4.321 10.780) 12.392 5.712 ( 13.471 13.471 8.770) 20.973 5.860 ( 4.745 4.745 10.375) 12.357 6.192 ( -0.137 -0.137 -3.434) 3.440 6.329 ( -8.234 -8.234 -1.588) 11.753 6.512 ( -2.273 -2.273 1.736) 3.653 6.626 ( -12.009 -12.009 2.103) 17.113 7.244 ( -0.270 -0.270 0.825) 0.909 7.263 ( -1.429 -1.429 0.880) 2.204 7.590 ( 5.006 5.006 -7.133) 10.050 7.627 ( 1.980 1.980 -7.789) 8.277 8.040 ( 13.775 13.775 -7.155) 20.753 8.201 ( 4.144 4.144 -10.629) 12.138 8.239 ( 1.526 1.526 -6.367) 6.722 8.308 ( -4.004 -4.004 -4.220) 7.062 8.518 ( 5.802 5.802 -3.318) 8.851 8.610 ( -1.452 -1.452 -4.310) 4.774 8.843 ( -0.167 -0.167 7.753) 7.757 8.852 ( 0.141 0.141 5.002) 5.006 8.989 ( 1.450 1.450 -7.437) 7.715 9.061 ( -4.976 -4.976 -8.607) 11.118 9.428 ( -4.948 -4.948 -1.319) 7.120 9.446 ( -6.757 -6.757 -2.287) 9.826 9.593 ( -7.519 -7.519 -3.145) 11.089 9.597 ( -7.762 -7.762 -2.353) 11.226 11.193 ( 28.196 28.196 1.853) 39.918 11.538 ( 3.990 3.990 2.462) 6.156 12.142 ( -0.425 -0.425 0.922) 1.100 12.473 ( -23.383 -23.383 1.185) 33.090 13.756 ( 17.096 17.096 -3.832) 24.479 13.792 ( 10.905 10.905 -3.977) 15.926 14.114 ( 1.117 1.117 -0.313) 1.611 14.310 ( 1.034 1.034 0.114) 1.466 14.351 ( -16.484 -16.484 -1.706) 23.374 14.484 ( -12.451 -12.451 -0.804) 17.627 17.516 ( 1.358 1.358 -4.269) 4.681 17.543 ( -1.333 -1.333 -3.344) 3.839 17.849 ( 0.985 0.985 -9.955) 10.052 17.887 ( -2.947 -2.947 -9.721) 10.577 19.504 ( 8.581 8.581 -0.165) 12.137 19.579 ( 0.896 0.896 0.061) 1.269 20.280 ( 8.086 8.086 3.288) 11.899 20.426 ( -2.648 -2.648 5.596) 6.734 20.450 ( 6.610 6.610 -1.498) 9.467 20.642 ( -9.122 -9.122 0.638) 12.917 23.318 ( -0.269 -0.269 10.203) 10.210 23.327 ( -1.187 -1.187 10.236) 10.373 24.095 ( 0.971 0.971 12.259) 12.335 24.121 ( -1.725 -1.725 13.327) 13.549 26.255 ( 3.169 3.169 -0.661) 4.530 26.278 ( 0.795 0.795 -0.635) 1.291 26.722 ( 0.976 0.976 -4.019) 4.250 26.745 ( -1.227 -1.227 -4.262) 4.602 27.280 ( 6.328 6.328 0.555) 8.966 27.353 ( -0.241 -0.241 0.002) 0.341 28.198 ( -0.316 -0.316 0.729) 0.855 28.330 ( -12.953 -12.953 -0.154) 18.319 29.777 ( 1.656 1.656 -7.557) 7.912 29.787 ( 0.616 0.616 -7.350) 7.401 ======================= Grid point 98 (21/60) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 0.000 0.000 31.668) 31.668 1.317 ( 0.000 0.000 31.668) 31.668 2.544 ( 0.000 0.000 1.344) 1.344 2.781 ( 0.000 0.000 64.247) 64.247 3.237 ( 0.000 0.000 9.052) 9.052 3.237 ( 0.000 0.000 9.052) 9.052 3.587 ( 0.000 0.000 18.071) 18.071 4.125 ( 0.000 0.000 -6.565) 6.565 4.125 ( 0.000 0.000 -6.565) 6.565 5.058 ( 0.000 0.000 -15.501) 15.501 5.138 ( 0.000 0.000 -10.285) 10.285 5.138 ( 0.000 0.000 -5.848) 5.848 5.138 ( 0.000 0.000 -5.848) 5.848 5.602 ( 0.000 0.000 8.966) 8.966 5.711 ( 0.000 0.000 -10.361) 10.361 5.711 ( 0.000 0.000 -10.361) 10.361 6.248 ( 0.000 0.000 -18.955) 18.955 6.403 ( 0.000 0.000 -5.905) 5.905 6.403 ( 0.000 0.000 -5.905) 5.905 6.608 ( 0.000 0.000 -18.158) 18.158 7.141 ( 0.000 0.000 -4.074) 4.074 7.141 ( 0.000 0.000 -4.074) 4.074 7.198 ( 0.000 0.000 -18.861) 18.861 7.272 ( 0.000 0.000 2.011) 2.011 7.335 ( 0.000 0.000 3.591) 3.591 8.035 ( 0.000 0.000 2.663) 2.663 8.224 ( 0.000 0.000 3.763) 3.763 8.224 ( 0.000 0.000 3.763) 3.763 8.485 ( 0.000 0.000 -1.074) 1.074 8.550 ( 0.000 0.000 1.082) 1.082 8.550 ( 0.000 0.000 1.082) 1.082 8.642 ( 0.000 0.000 9.930) 9.930 9.573 ( 0.000 0.000 -15.495) 15.495 9.867 ( 0.000 0.000 -3.550) 3.550 9.867 ( 0.000 0.000 -3.550) 3.550 10.166 ( 0.000 0.000 -15.888) 15.888 10.184 ( 0.000 0.000 3.112) 3.112 10.500 ( 0.000 0.000 -4.993) 4.993 10.500 ( 0.000 0.000 -4.993) 4.993 10.884 ( 0.000 0.000 -4.635) 4.635 11.495 ( 0.000 0.000 -3.775) 3.775 11.825 ( 0.000 0.000 -0.504) 0.504 12.471 ( 0.000 0.000 10.394) 10.394 13.597 ( 0.000 0.000 2.071) 2.071 13.597 ( 0.000 0.000 2.071) 2.071 14.151 ( 0.000 0.000 -1.515) 1.515 15.375 ( 0.000 0.000 1.195) 1.195 15.375 ( 0.000 0.000 1.195) 1.195 17.746 ( 0.000 0.000 3.179) 3.179 17.749 ( 0.000 0.000 -1.978) 1.978 17.749 ( 0.000 0.000 -1.978) 1.978 17.948 ( 0.000 0.000 -6.732) 6.732 18.406 ( 0.000 0.000 -8.065) 8.065 18.983 ( 0.000 0.000 2.314) 2.314 19.448 ( 0.000 0.000 -1.276) 1.276 19.448 ( 0.000 0.000 -1.276) 1.276 20.731 ( 0.000 0.000 8.930) 8.930 21.404 ( 0.000 0.000 1.007) 1.007 23.536 ( 0.000 0.000 10.851) 10.851 23.536 ( 0.000 0.000 10.851) 10.851 24.212 ( 0.000 0.000 16.512) 16.512 25.851 ( 0.000 0.000 0.113) 0.113 25.851 ( 0.000 0.000 0.113) 0.113 26.038 ( 0.000 0.000 -4.121) 4.121 26.669 ( 0.000 0.000 -1.088) 1.088 26.875 ( 0.000 0.000 -1.029) 1.029 26.927 ( 0.000 0.000 -2.008) 2.008 27.296 ( 0.000 0.000 -0.237) 0.237 27.296 ( 0.000 0.000 -0.237) 0.237 29.518 ( 0.000 0.000 -6.533) 6.533 29.518 ( 0.000 0.000 -6.533) 6.533 29.698 ( 0.000 0.000 -0.507) 0.507 ======================= Grid point 99 (22/60) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( 20.800 0.000 26.085) 33.363 1.678 ( 31.051 0.000 25.486) 40.171 2.544 ( 0.600 0.000 1.673) 1.777 2.851 ( 6.715 0.000 46.328) 46.812 3.078 ( -10.630 0.000 15.553) 18.838 3.289 ( 6.664 0.000 10.128) 12.123 3.800 ( 16.144 0.000 12.315) 20.304 4.165 ( 4.753 0.000 -5.054) 6.938 4.268 ( 11.444 0.000 -6.874) 13.350 4.880 ( -17.657 0.000 -13.011) 21.933 4.995 ( -10.097 0.000 -1.685) 10.237 5.174 ( 6.219 0.000 -10.273) 12.009 5.237 ( 4.796 0.000 -3.632) 6.016 5.560 ( -5.982 0.000 -8.426) 10.334 5.659 ( -5.203 0.000 -8.652) 10.096 5.843 ( 10.625 0.000 -1.581) 10.742 6.176 ( -1.629 0.000 -11.901) 12.012 6.367 ( -2.564 0.000 -6.546) 7.031 6.501 ( -8.532 0.000 -8.766) 12.233 6.518 ( 6.444 0.000 -9.645) 11.600 7.030 ( -4.793 0.000 -10.190) 11.261 7.131 ( -0.122 0.000 -4.324) 4.326 7.207 ( -3.479 0.000 -1.474) 3.778 7.389 ( 5.737 0.000 -1.430) 5.913 7.506 ( 18.495 0.000 -10.384) 21.211 7.965 ( -6.325 0.000 1.112) 6.422 8.169 ( -3.835 0.000 3.129) 4.950 8.288 ( 3.099 0.000 2.203) 3.802 8.414 ( -1.535 0.000 0.642) 1.663 8.531 ( -0.287 0.000 2.669) 2.684 8.632 ( -1.139 0.000 8.234) 8.313 8.650 ( 5.234 0.000 -0.866) 5.305 9.304 ( -18.987 0.000 -7.583) 20.445 9.577 ( -14.820 0.000 -4.766) 15.567 9.704 ( -16.768 0.000 -3.767) 17.186 9.884 ( -11.160 0.000 -4.699) 12.109 10.190 ( -22.597 0.000 -3.265) 22.832 10.448 ( 7.333 0.000 -2.674) 7.806 11.091 ( 16.551 0.000 -1.111) 16.589 11.257 ( 43.753 0.000 -25.404) 50.593 11.540 ( 5.094 0.000 -5.200) 7.279 11.761 ( -3.939 0.000 -1.351) 4.164 12.454 ( -0.568 0.000 9.835) 9.852 13.714 ( 11.267 0.000 -0.471) 11.277 13.752 ( 14.577 0.000 1.835) 14.692 14.062 ( -7.967 0.000 -1.131) 8.047 15.314 ( -6.445 0.000 0.063) 6.445 15.362 ( -1.859 0.000 0.396) 1.901 17.558 ( -9.031 0.000 -0.422) 9.041 17.587 ( -10.937 0.000 -4.967) 12.012 17.884 ( 3.361 0.000 -1.039) 3.517 18.106 ( 10.385 0.000 -5.381) 11.696 18.389 ( -1.880 0.000 -5.393) 5.711 19.085 ( 11.494 0.000 0.763) 11.519 19.452 ( 1.582 0.000 -1.702) 2.324 19.624 ( 15.158 0.000 -1.495) 15.232 20.732 ( 0.111 0.000 8.768) 8.769 21.340 ( -6.730 0.000 1.223) 6.840 23.543 ( 0.692 0.000 11.068) 11.090 23.563 ( 2.405 0.000 10.917) 11.179 24.220 ( 1.166 0.000 16.413) 16.455 25.482 ( -27.972 0.000 13.539) 31.077 25.879 ( 2.796 0.000 -0.017) 2.796 26.059 ( 0.560 0.000 -1.597) 1.692 26.682 ( 1.176 0.000 -1.627) 2.007 26.851 ( -3.732 0.000 -2.561) 4.526 26.883 ( 0.657 0.000 -0.926) 1.136 27.294 ( -0.472 0.000 0.213) 0.518 27.715 ( 31.229 0.000 -10.653) 32.996 29.450 ( -6.881 0.000 -5.899) 9.064 29.505 ( -1.380 0.000 -7.068) 7.202 29.601 ( -8.686 0.000 -0.849) 8.728 ======================= Grid point 100 (23/60) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 23.577 0.000 16.185) 28.598 2.244 ( 24.798 0.000 27.842) 37.285 2.593 ( 5.579 0.000 1.988) 5.923 2.893 ( -5.539 0.000 11.296) 12.580 2.986 ( 3.645 0.000 19.242) 19.584 3.491 ( 10.603 0.000 2.582) 10.913 4.096 ( 12.374 0.000 10.819) 16.437 4.297 ( 6.710 0.000 -2.286) 7.088 4.417 ( 1.338 0.000 -6.597) 6.731 4.551 ( -11.116 0.000 -3.559) 11.672 4.813 ( -4.912 0.000 5.731) 7.548 5.235 ( -2.668 0.000 -6.211) 6.759 5.353 ( 9.499 0.000 -7.573) 12.148 5.442 ( -4.005 0.000 -10.240) 10.995 5.553 ( -4.147 0.000 -4.294) 5.970 6.014 ( 4.650 0.000 -3.682) 5.931 6.162 ( -2.443 0.000 -5.195) 5.741 6.345 ( -5.764 0.000 -4.279) 7.179 6.378 ( 4.018 0.000 -3.826) 5.548 6.607 ( 2.250 0.000 -3.182) 3.897 6.946 ( -3.508 0.000 -13.816) 14.254 7.141 ( 2.483 0.000 -5.171) 5.736 7.205 ( 2.239 0.000 -6.975) 7.326 7.458 ( 0.416 0.000 -2.948) 2.978 7.767 ( 3.836 0.000 -8.297) 9.141 7.800 ( -10.829 0.000 -5.733) 12.253 8.182 ( 5.855 0.000 -1.240) 5.985 8.254 ( -3.497 0.000 0.743) 3.575 8.429 ( 3.100 0.000 4.366) 5.355 8.604 ( 0.809 0.000 3.508) 3.600 8.620 ( 6.710 0.000 4.009) 7.817 8.744 ( 5.548 0.000 -2.544) 6.104 9.043 ( -10.211 0.000 -8.076) 13.019 9.289 ( -23.082 0.000 -1.471) 23.129 9.356 ( -7.352 0.000 -2.177) 7.668 9.723 ( -8.812 0.000 -3.312) 9.414 9.838 ( -12.826 0.000 -3.227) 13.226 10.311 ( -19.634 0.000 -4.091) 20.055 11.360 ( 12.211 0.000 -2.118) 12.393 11.633 ( 7.798 0.000 -5.994) 9.835 11.739 ( 1.415 0.000 -2.748) 3.091 11.906 ( 17.761 0.000 -17.201) 24.725 12.528 ( 11.469 0.000 6.632) 13.248 13.714 ( -15.522 0.000 -0.408) 15.527 14.072 ( 19.264 0.000 0.269) 19.265 14.146 ( 18.589 0.000 -4.359) 19.093 15.145 ( -10.886 0.000 -1.771) 11.030 15.279 ( -7.614 0.000 -2.264) 7.944 17.394 ( -7.330 0.000 -6.504) 9.799 17.435 ( -5.884 0.000 -3.614) 6.905 17.912 ( 0.778 0.000 -1.711) 1.880 18.135 ( -6.024 0.000 -3.832) 7.139 18.507 ( 14.053 0.000 -2.977) 14.365 19.198 ( -3.220 0.000 -2.900) 4.334 19.644 ( 19.217 0.000 -1.429) 19.271 19.915 ( 14.138 0.000 -0.547) 14.148 20.735 ( 0.267 0.000 8.122) 8.126 21.160 ( -12.017 0.000 1.829) 12.155 23.561 ( 1.206 0.000 11.610) 11.673 23.603 ( 1.296 0.000 11.617) 11.689 24.274 ( 5.041 0.000 16.752) 17.494 25.001 ( -21.939 0.000 22.085) 31.130 25.944 ( 3.746 0.000 -0.287) 3.757 26.062 ( -0.264 0.000 -0.789) 0.832 26.698 ( 0.353 0.000 -2.944) 2.965 26.783 ( -3.381 0.000 -3.745) 5.045 26.932 ( 4.618 0.000 0.651) 4.664 27.264 ( -3.082 0.000 1.257) 3.329 28.256 ( 25.309 0.000 -11.644) 27.859 29.274 ( -11.831 0.000 -5.570) 13.076 29.441 ( -6.345 0.000 -4.310) 7.671 29.469 ( -2.680 0.000 -8.182) 8.610 ======================= Grid point 101 (24/60) ======================= q-point: ( 0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( 17.281 0.000 9.650) 19.793 2.494 ( 4.064 0.000 21.962) 22.335 2.692 ( 2.519 0.000 19.574) 19.736 2.823 ( -6.310 0.000 5.214) 8.186 3.150 ( 17.991 0.000 0.701) 18.005 3.491 ( -12.378 0.000 -5.346) 13.483 4.151 ( 2.737 0.000 -1.166) 2.975 4.298 ( -7.904 0.000 4.437) 9.065 4.377 ( 0.604 0.000 -3.525) 3.576 4.436 ( -6.497 0.000 -4.395) 7.844 5.077 ( 24.593 0.000 9.435) 26.341 5.258 ( 5.441 0.000 -0.755) 5.493 5.356 ( -4.535 0.000 -9.813) 10.810 5.437 ( -6.442 0.000 0.945) 6.511 5.614 ( 14.212 0.000 -1.872) 14.335 5.926 ( -13.168 0.000 2.653) 13.432 6.134 ( 0.772 0.000 -2.994) 3.092 6.223 ( -8.280 0.000 -1.049) 8.346 6.500 ( 7.715 0.000 -4.915) 9.147 6.604 ( -2.741 0.000 -3.982) 4.834 6.970 ( 7.368 0.000 -16.905) 18.441 7.165 ( -6.708 0.000 -11.997) 13.745 7.259 ( 4.947 0.000 -8.620) 9.939 7.365 ( -8.006 0.000 -6.479) 10.299 7.620 ( -1.452 0.000 -5.795) 5.974 7.710 ( -7.518 0.000 -6.330) 9.828 8.242 ( 2.394 0.000 5.037) 5.577 8.268 ( 0.460 0.000 0.958) 1.062 8.560 ( 7.813 0.000 7.667) 10.947 8.634 ( 2.806 0.000 0.516) 2.853 8.771 ( 7.155 0.000 -2.291) 7.513 8.833 ( 0.902 0.000 -2.595) 2.747 8.864 ( -4.843 0.000 -3.241) 5.827 8.961 ( -12.288 0.000 -10.345) 16.063 9.354 ( 7.280 0.000 0.484) 7.296 9.537 ( -9.695 0.000 -1.405) 9.796 9.715 ( -0.788 0.000 -4.506) 4.575 9.889 ( -20.007 0.000 -3.641) 20.336 11.548 ( 8.176 0.000 -3.475) 8.883 11.669 ( -4.199 0.000 -4.388) 6.074 11.853 ( 9.783 0.000 -4.609) 10.815 11.999 ( -4.084 0.000 -6.506) 7.681 12.893 ( 23.955 0.000 2.414) 24.076 13.341 ( -22.669 0.000 1.161) 22.699 14.411 ( 14.853 0.000 0.727) 14.871 14.481 ( 11.612 0.000 -3.649) 12.172 14.959 ( -5.225 0.000 -5.321) 7.457 15.077 ( -12.748 0.000 -6.570) 14.342 17.316 ( -0.923 0.000 -6.828) 6.890 17.346 ( -3.578 0.000 -5.266) 6.367 17.940 ( 2.574 0.000 -1.770) 3.124 18.016 ( -5.500 0.000 -2.125) 5.896 18.792 ( 15.010 0.000 -3.418) 15.394 19.046 ( -11.509 0.000 -3.543) 12.042 19.995 ( 14.436 0.000 -1.089) 14.477 20.098 ( 3.640 0.000 -0.020) 3.640 20.762 ( 3.814 0.000 6.402) 7.452 20.918 ( -12.243 0.000 3.384) 12.702 23.586 ( 1.364 0.000 12.153) 12.229 23.607 ( -0.676 0.000 12.252) 12.271 24.417 ( 10.150 0.000 18.704) 21.281 24.655 ( -15.281 0.000 21.568) 26.433 26.008 ( 2.849 0.000 -0.488) 2.891 26.047 ( -1.357 0.000 -0.593) 1.481 26.704 ( 0.618 0.000 -3.731) 3.782 26.730 ( -2.171 0.000 -3.972) 4.526 27.046 ( 7.003 0.000 1.708) 7.208 27.175 ( -6.183 0.000 1.959) 6.486 28.672 ( 19.566 0.000 -7.559) 20.976 29.007 ( -16.217 0.000 -5.550) 17.141 29.384 ( 0.020 0.000 -8.432) 8.432 29.416 ( -2.730 0.000 -9.499) 9.884 ======================= Grid point 106 (25/60) ======================= q-point: ( 0.14 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 13.622 13.622 20.412) 28.067 1.925 ( 17.888 17.888 27.355) 37.259 2.541 ( 0.296 0.296 1.822) 1.869 2.858 ( -10.992 -10.992 8.354) 17.647 3.053 ( 17.463 17.463 39.340) 46.449 3.507 ( 11.045 11.045 13.570) 20.692 3.786 ( 2.431 2.431 5.656) 6.619 4.190 ( 2.859 2.859 -2.805) 4.922 4.378 ( 8.234 8.234 -3.697) 12.218 4.853 ( -7.822 -7.822 -10.112) 14.987 4.983 ( -3.765 -3.765 -14.104) 15.076 5.079 ( -6.169 -6.169 2.646) 9.117 5.141 ( -1.527 -1.527 -2.541) 3.335 5.534 ( -7.426 -7.426 -6.596) 12.401 5.668 ( 1.054 1.054 -10.977) 11.078 5.900 ( 4.122 4.122 -3.518) 6.808 6.089 ( -3.877 -3.877 -7.737) 9.483 6.396 ( 0.556 0.556 -7.020) 7.064 6.477 ( -0.426 -0.426 -5.942) 5.973 6.559 ( 4.165 4.165 -8.317) 10.192 7.074 ( 1.612 1.612 -7.279) 7.628 7.121 ( -0.889 -0.889 -5.287) 5.435 7.202 ( 0.254 0.254 -2.152) 2.182 7.460 ( 3.276 3.276 0.943) 4.728 7.564 ( 8.385 8.385 -15.841) 19.787 7.907 ( -4.767 -4.767 -0.634) 6.771 8.163 ( -2.358 -2.358 -0.320) 3.350 8.311 ( 3.556 3.556 2.145) 5.468 8.360 ( -1.794 -1.794 1.497) 2.946 8.587 ( 0.778 0.778 0.894) 1.418 8.626 ( 0.208 0.208 4.464) 4.474 8.679 ( 3.867 3.867 2.672) 6.087 9.151 ( -19.276 -19.276 -0.441) 27.264 9.248 ( -7.920 -7.920 -8.615) 14.131 9.755 ( -3.886 -3.886 -5.398) 7.703 9.980 ( -0.587 -0.587 -5.296) 5.361 10.144 ( -11.882 -11.882 -4.700) 17.448 10.552 ( -7.827 -7.827 -7.774) 13.526 10.769 ( 10.264 10.264 1.831) 14.631 11.128 ( -18.353 -18.353 -1.997) 26.032 11.870 ( 32.298 32.298 -23.885) 51.544 12.126 ( 18.894 18.894 -3.371) 26.933 12.423 ( -1.561 -1.561 9.362) 9.619 13.699 ( 2.972 2.972 -0.728) 4.265 13.901 ( 11.039 11.039 1.447) 15.678 13.987 ( -6.570 -6.570 -0.932) 9.338 15.244 ( -6.632 -6.632 0.506) 9.393 15.332 ( -4.195 -4.195 -1.144) 6.042 17.419 ( -7.065 -7.065 -4.234) 10.851 17.662 ( -1.699 -1.699 -5.592) 6.087 17.769 ( -4.609 -4.609 -0.878) 6.576 18.293 ( -7.594 -7.594 -5.399) 12.020 18.311 ( 15.271 15.271 -3.555) 21.886 19.269 ( 16.155 16.155 0.010) 22.847 19.464 ( 0.940 0.940 -0.962) 1.641 19.712 ( 9.522 9.522 -1.862) 13.594 20.728 ( -0.411 -0.411 8.645) 8.665 21.288 ( -5.629 -5.629 1.233) 8.056 23.545 ( 0.417 0.417 11.660) 11.675 23.582 ( 1.529 1.529 10.857) 11.071 24.230 ( 1.299 1.299 16.330) 16.433 25.260 ( -18.890 -18.890 18.830) 32.684 25.900 ( 2.670 2.670 -0.215) 3.782 26.101 ( 2.350 2.350 -1.659) 3.715 26.682 ( -0.155 -0.155 -2.108) 2.119 26.832 ( -2.391 -2.391 -3.728) 5.033 26.892 ( 2.013 2.013 0.078) 2.848 27.322 ( 1.076 1.076 -0.290) 1.549 27.881 ( 15.914 15.914 -10.456) 24.817 29.345 ( -9.035 -9.035 -6.109) 14.163 29.503 ( -2.475 -2.475 -3.964) 5.288 29.571 ( -1.843 -1.843 -5.448) 6.040 ======================= Grid point 107 (26/60) ======================= q-point: ( 0.29 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 22.363 2.842 11.046) 25.104 2.260 ( 17.316 4.104 27.241) 32.539 2.586 ( 5.030 -3.318 3.826) 7.138 2.715 ( -4.323 -5.340 4.885) 8.431 3.305 ( 5.366 21.958 16.420) 27.938 3.653 ( 4.905 12.943 4.127) 14.444 3.963 ( 12.342 -9.991 7.694) 17.645 4.241 ( 0.718 -6.120 -3.954) 7.321 4.468 ( -3.811 2.978 -0.222) 4.842 4.609 ( -7.362 5.459 -3.663) 9.870 4.846 ( -6.520 1.481 3.120) 7.378 5.039 ( 2.112 -15.415 -6.047) 16.693 5.227 ( 6.942 -6.682 -1.207) 9.711 5.425 ( -2.685 -8.867 -3.863) 10.038 5.599 ( -5.127 1.305 -9.713) 11.060 5.976 ( 3.060 -2.608 -3.881) 5.588 6.037 ( -3.817 -3.967 -1.556) 5.721 6.402 ( -1.293 3.659 -5.808) 6.985 6.515 ( 3.534 11.943 -4.551) 13.260 6.632 ( 3.979 2.835 -2.961) 5.713 7.050 ( -1.747 5.703 -9.192) 10.957 7.136 ( 2.188 -0.720 -5.404) 5.874 7.244 ( 3.857 4.007 -6.643) 8.664 7.459 ( -2.723 0.238 -2.337) 3.596 7.693 ( 0.752 -3.968 -10.873) 11.599 7.819 ( -4.893 0.215 -6.590) 8.211 8.152 ( 1.152 -2.810 -2.367) 3.851 8.292 ( -1.569 3.262 0.142) 3.622 8.424 ( 4.842 -1.818 -2.093) 5.579 8.582 ( -0.884 -3.758 2.729) 4.727 8.642 ( 3.073 2.791 1.406) 4.383 8.782 ( 6.385 4.328 1.382) 7.837 8.917 ( -5.174 -7.101 -0.068) 8.787 9.103 ( -7.834 -4.123 -6.961) 11.261 9.590 ( -14.905 3.746 -3.571) 15.778 9.766 ( -14.666 2.530 -4.359) 15.508 9.895 ( -9.484 7.489 -2.996) 12.450 10.362 ( -14.403 -2.656 -6.174) 15.894 10.850 ( 4.855 -37.250 -2.298) 37.635 11.142 ( 5.194 -7.085 0.660) 8.810 12.336 ( 17.011 16.788 -10.868) 26.255 12.390 ( 11.191 32.161 -8.223) 35.031 12.482 ( 8.482 6.552 4.603) 11.664 13.646 ( -14.021 -6.563 -0.904) 15.508 14.010 ( 14.388 -4.258 -1.512) 15.081 14.165 ( 15.699 1.177 -0.868) 15.767 15.075 ( -11.040 -6.758 -0.886) 12.974 15.194 ( -10.474 -9.184 -2.813) 14.211 17.324 ( -2.843 -2.853 -6.691) 7.810 17.527 ( -8.305 5.063 -5.129) 10.996 17.779 ( 2.391 -9.980 -3.527) 10.851 18.110 ( -9.857 -5.801 -4.486) 12.285 18.640 ( 17.623 14.275 -2.619) 22.830 19.356 ( -5.467 13.191 -1.523) 14.360 19.706 ( 21.278 6.830 -1.165) 22.378 19.938 ( 12.740 2.969 -0.493) 13.091 20.719 ( -0.476 -1.692 8.091) 8.279 21.128 ( -11.074 -3.579 1.649) 11.754 23.559 ( 1.068 -0.068 12.343) 12.389 23.605 ( 0.633 0.164 11.674) 11.693 24.282 ( 4.561 0.934 16.668) 17.306 24.903 ( -17.582 -9.151 22.511) 29.993 25.970 ( 4.304 3.038 -0.593) 5.301 26.122 ( -0.050 4.821 -1.321) 4.999 26.676 ( -0.277 -1.866 -3.006) 3.549 26.774 ( -3.466 -1.305 -4.230) 5.622 26.964 ( 5.399 3.400 0.917) 6.446 27.304 ( -3.046 3.560 0.536) 4.716 28.218 ( 18.292 -3.115 -7.649) 20.070 29.135 ( -13.131 -12.026 -5.408) 18.609 29.444 ( -2.192 1.190 -6.466) 6.930 29.538 ( -2.155 3.789 -8.606) 9.647 ======================= Grid point 108 (27/60) ======================= q-point: ( 0.43 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( 14.589 -2.302 6.349) 16.076 2.494 ( 2.953 -0.357 16.597) 16.861 2.653 ( 4.461 -5.229 11.281) 13.210 2.737 ( 2.548 2.103 5.333) 6.273 3.384 ( 7.275 15.908 2.482) 17.668 3.597 ( -11.018 8.856 -2.653) 14.383 4.051 ( 2.477 -8.980 1.527) 9.440 4.182 ( -8.152 -10.706 0.832) 13.482 4.356 ( 0.180 -2.871 -2.909) 4.091 4.462 ( -10.090 1.435 -0.292) 10.195 5.045 ( 18.654 -3.378 2.237) 19.089 5.180 ( 11.340 -10.275 3.883) 15.788 5.307 ( -4.232 -3.726 -5.369) 7.786 5.355 ( -2.605 -8.400 -0.203) 8.797 5.599 ( 7.551 -1.450 -0.292) 7.694 5.856 ( -13.982 -4.463 4.382) 15.318 6.078 ( 7.225 1.728 -1.815) 7.647 6.272 ( -11.824 3.781 1.170) 12.469 6.601 ( 6.434 8.386 -7.652) 13.049 6.687 ( -0.796 8.361 -6.142) 10.405 7.077 ( 5.139 5.580 -9.996) 12.548 7.172 ( -1.194 0.132 -6.680) 6.787 7.308 ( 3.123 5.299 -9.657) 11.450 7.397 ( -3.776 2.519 -6.987) 8.332 7.621 ( -2.429 0.237 -8.654) 8.991 7.701 ( -7.408 0.776 -9.214) 11.848 8.195 ( 3.769 -3.913 1.175) 5.559 8.261 ( -2.685 -1.246 0.925) 3.101 8.537 ( 4.939 -3.506 -0.979) 6.135 8.568 ( 0.003 -6.471 2.079) 6.796 8.744 ( 6.632 1.037 -5.602) 8.743 8.855 ( -2.668 0.580 -4.414) 5.190 8.889 ( 2.930 4.538 -1.179) 5.529 8.985 ( -4.937 1.561 -1.282) 5.334 9.375 ( -2.877 1.454 -1.042) 3.388 9.493 ( -12.479 -3.499 -1.725) 13.075 9.863 ( 5.037 12.846 -4.319) 14.459 10.062 ( -15.057 9.038 -5.381) 18.367 10.995 ( 8.187 -33.703 -1.861) 34.733 11.124 ( -5.140 -20.735 -0.543) 21.369 12.480 ( 4.005 30.022 -2.658) 30.404 12.518 ( 0.572 32.339 -6.343) 32.961 12.834 ( 24.740 -2.960 0.204) 24.917 13.288 ( -22.525 -4.747 0.116) 23.020 14.340 ( 16.672 -7.167 -0.980) 18.173 14.439 ( 9.816 -4.091 -1.835) 10.792 14.868 ( -7.815 -8.857 -3.664) 12.368 14.957 ( -13.241 -11.856 -5.641) 18.647 17.317 ( 2.020 1.035 -6.965) 7.325 17.393 ( -5.787 3.503 -6.032) 9.063 17.839 ( 4.243 -8.231 -4.058) 10.110 17.946 ( -7.246 -6.882 -4.111) 10.806 18.950 ( 15.087 14.774 -2.263) 21.237 19.197 ( -11.018 13.694 -2.037) 17.694 20.052 ( 12.927 5.900 -0.868) 14.236 20.124 ( 4.983 2.787 0.152) 5.711 20.735 ( 3.720 -2.802 6.376) 7.896 20.896 ( -12.319 -2.492 3.155) 12.958 23.582 ( 1.285 -0.351 12.749) 12.818 23.603 ( -0.773 -0.402 12.568) 12.598 24.408 ( 8.872 -0.813 18.472) 20.508 24.615 ( -13.128 -3.906 21.234) 25.268 26.048 ( 3.719 4.100 -0.907) 5.609 26.103 ( -2.028 5.054 -1.100) 5.556 26.680 ( 0.909 -2.105 -3.711) 4.362 26.714 ( -2.653 -1.599 -4.164) 5.190 27.084 ( 7.076 3.853 1.542) 8.203 27.214 ( -6.246 3.871 1.527) 7.505 28.550 ( 17.050 -11.250 -4.992) 21.028 28.860 ( -15.826 -13.157 -4.640) 21.097 29.441 ( 1.637 4.828 -9.813) 11.058 29.488 ( -2.929 5.342 -9.957) 11.673 ======================= Grid point 114 (28/60) ======================= q-point: ( 0.29 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( 11.244 11.244 2.487) 16.095 2.415 ( 11.431 11.431 21.950) 27.261 2.492 ( -2.695 -2.695 1.694) 4.171 2.753 ( 5.681 5.681 -1.711) 8.215 3.607 ( 5.407 5.407 13.633) 15.631 3.814 ( 0.988 0.988 1.822) 2.296 3.872 ( 3.461 3.461 8.555) 9.856 4.076 ( -10.190 -10.190 -7.599) 16.292 4.456 ( -7.796 -7.796 -1.892) 11.186 4.653 ( -11.081 -11.081 -10.239) 18.719 4.742 ( -1.422 -1.422 4.001) 4.478 4.921 ( 8.537 8.537 4.924) 13.039 5.123 ( -13.184 -13.184 2.062) 18.759 5.284 ( 6.259 6.259 3.702) 9.594 5.599 ( 0.569 0.569 -4.487) 4.559 5.991 ( -1.471 -1.471 1.676) 2.672 6.007 ( 3.556 3.556 -4.271) 6.598 6.455 ( 0.962 0.962 -2.979) 3.275 6.620 ( -0.827 -0.827 -1.353) 1.789 6.825 ( 14.765 14.765 -5.470) 21.585 7.038 ( -4.780 -4.780 -3.354) 7.546 7.175 ( 3.916 3.916 -6.655) 8.658 7.318 ( 4.160 4.160 -6.160) 8.518 7.445 ( -2.009 -2.009 -3.414) 4.441 7.634 ( -2.540 -2.540 -13.205) 13.685 7.843 ( 1.733 1.733 -9.045) 9.371 8.106 ( -1.754 -1.754 -4.090) 4.784 8.332 ( -1.893 -1.893 -5.084) 5.745 8.336 ( -1.693 -1.693 -7.231) 7.617 8.559 ( 0.093 0.093 0.845) 0.855 8.700 ( 3.763 3.763 -2.351) 5.817 8.895 ( 6.457 6.457 3.684) 9.847 8.897 ( 2.597 2.597 2.689) 4.552 9.016 ( -5.377 -5.377 -7.100) 10.404 9.567 ( -5.558 -5.558 -4.376) 8.996 9.688 ( -11.256 -11.256 -3.808) 16.368 9.927 ( -7.401 -7.401 -5.207) 11.691 10.161 ( -21.586 -21.586 -2.775) 30.653 10.409 ( 8.797 8.797 -0.934) 12.475 11.320 ( 10.334 10.334 3.362) 14.997 12.248 ( -2.687 -2.687 2.667) 4.642 12.849 ( 13.295 13.295 -7.991) 20.430 12.916 ( 21.415 21.415 -5.003) 30.696 13.495 ( -8.934 -8.934 -3.792) 13.192 13.989 ( 3.973 3.973 -1.403) 5.791 14.213 ( 5.078 5.078 0.656) 7.212 14.910 ( -10.744 -10.744 -0.820) 15.216 14.949 ( -15.824 -15.824 -3.180) 22.603 17.306 ( 0.883 0.883 -7.582) 7.684 17.579 ( -4.405 -4.405 -2.927) 6.883 17.629 ( -0.359 -0.359 -8.942) 8.957 17.956 ( -9.002 -9.002 -6.233) 14.175 18.959 ( 17.625 17.625 -1.602) 24.976 19.520 ( 1.894 1.894 -0.322) 2.697 19.927 ( 15.987 15.987 -0.739) 22.620 20.050 ( 8.909 8.909 -0.304) 12.603 20.676 ( -2.578 -2.578 7.795) 8.606 21.015 ( -8.553 -8.553 1.672) 12.211 23.562 ( 0.448 0.448 13.462) 13.477 23.604 ( -0.309 -0.309 12.455) 12.462 24.316 ( 2.860 2.860 16.824) 17.304 24.710 ( -10.497 -10.497 22.129) 26.647 26.051 ( 5.128 5.128 -1.239) 7.358 26.194 ( 2.234 2.234 -1.823) 3.647 26.645 ( -1.135 -1.135 -3.432) 3.789 26.733 ( -2.828 -2.828 -4.757) 6.215 27.054 ( 5.995 5.995 1.194) 8.562 27.353 ( 0.379 0.379 -0.230) 0.583 28.196 ( 2.285 2.285 -2.053) 3.828 28.873 ( -15.197 -15.197 -4.260) 21.910 29.479 ( 2.373 2.373 -9.967) 10.517 29.580 ( 0.686 0.686 -9.607) 9.656 ======================= Grid point 115 (29/60) ======================= q-point: ( 0.43 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.347 ( 9.896 1.794 -2.568) 10.380 2.459 ( -2.208 -1.283 -1.538) 2.981 2.677 ( 14.232 6.028 11.417) 19.216 2.837 ( -0.155 6.644 0.993) 6.720 3.613 ( 1.173 7.640 3.850) 8.636 3.724 ( -9.294 2.955 -0.838) 9.788 3.904 ( 0.223 -4.847 5.338) 7.214 3.963 ( -4.575 -9.515 3.425) 11.099 4.253 ( -1.754 -7.754 -2.607) 8.367 4.425 ( -14.295 -6.819 -2.050) 15.970 4.771 ( 5.235 -24.117 -1.854) 24.748 4.894 ( -7.391 -21.765 0.815) 23.001 5.253 ( 15.222 10.024 3.676) 18.592 5.395 ( 0.707 9.981 2.911) 10.421 5.676 ( 9.946 9.312 6.141) 14.945 5.900 ( -9.102 7.037 5.103) 12.586 6.133 ( 9.358 1.885 -1.605) 9.680 6.344 ( -11.698 3.322 2.070) 12.336 6.669 ( 7.284 -2.853 -0.951) 7.880 6.843 ( -9.651 0.726 -2.119) 9.908 7.115 ( 9.508 4.312 -4.348) 11.309 7.230 ( -1.047 5.320 -6.264) 8.284 7.358 ( 2.773 1.641 -7.033) 7.736 7.447 ( -1.726 0.221 -7.920) 8.109 7.633 ( 6.380 3.688 -13.581) 15.452 7.807 ( -7.280 8.660 -14.006) 18.005 8.117 ( 3.879 -4.045 -5.188) 7.637 8.228 ( -6.581 -2.320 -5.160) 8.678 8.412 ( 6.790 -4.769 -7.045) 10.885 8.529 ( -3.942 -0.834 -3.199) 5.145 8.781 ( 4.409 2.222 -5.347) 7.278 8.870 ( -5.296 0.615 -4.584) 7.031 8.971 ( 3.200 2.430 1.100) 4.166 9.008 ( 1.173 1.137 3.146) 3.544 9.404 ( -6.919 1.502 -1.539) 7.245 9.444 ( -9.791 -1.599 -1.374) 10.016 9.853 ( -0.186 -18.282 -4.512) 18.832 9.902 ( -5.952 -22.300 -4.983) 23.612 10.765 ( 23.327 14.551 1.484) 27.533 11.198 ( -19.888 23.595 3.003) 31.005 12.468 ( 21.581 -18.257 2.824) 28.409 12.838 ( -13.488 -5.950 1.218) 14.793 13.199 ( 9.906 28.890 -5.945) 31.114 13.344 ( -6.844 16.979 -7.554) 19.804 14.184 ( 15.037 -7.908 -1.495) 17.055 14.348 ( 5.287 -4.782 -0.248) 7.133 14.638 ( -12.274 -16.149 -3.238) 20.541 14.701 ( -11.693 -13.118 -2.365) 17.731 17.353 ( 3.996 2.629 -7.136) 8.591 17.452 ( -6.353 2.409 -5.832) 8.954 17.692 ( 4.617 -6.541 -8.032) 11.340 17.801 ( -7.099 -7.611 -7.403) 12.772 19.258 ( 13.557 15.985 -0.883) 20.978 19.457 ( -7.492 11.684 -0.428) 13.887 20.188 ( 9.301 7.004 1.017) 11.687 20.226 ( 6.517 9.404 -0.879) 11.475 20.658 ( 2.925 -5.365 6.235) 8.730 20.818 ( -11.557 -5.962 2.706) 13.282 23.575 ( 0.904 -0.264 13.989) 14.021 23.593 ( -0.858 -0.612 13.556) 13.597 24.395 ( 5.658 -0.307 18.014) 18.884 24.529 ( -8.493 -4.748 20.202) 22.423 26.144 ( 4.316 5.450 -1.743) 7.167 26.200 ( -1.493 4.515 -1.906) 5.123 26.642 ( 0.919 -1.606 -4.132) 4.527 26.678 ( -2.721 -1.988 -4.738) 5.814 27.179 ( 7.015 5.939 1.231) 9.273 27.301 ( -5.344 4.717 0.583) 7.152 28.326 ( 11.143 -10.651 -1.149) 15.457 28.582 ( -15.240 -15.239 -2.627) 21.712 29.527 ( 2.613 3.909 -11.240) 12.184 29.569 ( -1.617 2.944 -10.676) 11.192 ======================= Grid point 122 (30/60) ======================= q-point: ( 0.43 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( 4.226 4.226 -12.257) 13.636 2.460 ( -0.121 -0.121 -12.468) 12.469 2.811 ( 7.310 7.310 8.446) 13.349 2.908 ( -1.139 -1.139 0.642) 1.734 3.694 ( 3.937 3.937 5.355) 7.725 3.760 ( 2.778 2.778 -7.726) 8.668 3.820 ( -1.865 -1.865 16.742) 16.949 3.968 ( 4.849 4.849 4.849) 8.399 4.049 ( -11.887 -11.887 -5.008) 17.541 4.221 ( -12.815 -12.815 -5.590) 18.965 4.450 ( -7.071 -7.071 3.708) 10.664 4.515 ( -13.012 -13.012 4.337) 18.905 5.517 ( 11.661 11.661 2.462) 16.674 5.579 ( 5.512 5.512 4.098) 8.807 5.893 ( 13.186 13.186 6.544) 19.762 6.078 ( 6.390 6.390 9.883) 13.392 6.115 ( 0.700 0.700 -4.143) 4.260 6.338 ( -8.021 -8.021 3.669) 11.923 6.564 ( -1.362 -1.362 3.585) 4.070 6.690 ( -11.410 -11.410 4.334) 16.708 7.241 ( 4.753 4.753 -2.373) 7.128 7.283 ( 0.231 0.231 0.134) 0.353 7.416 ( 1.810 1.810 -9.882) 10.208 7.441 ( 0.839 0.839 -10.312) 10.380 7.785 ( 12.022 12.022 -17.256) 24.224 7.945 ( 2.348 2.348 -14.593) 14.966 8.044 ( -1.974 -1.974 -14.743) 15.005 8.138 ( -7.152 -7.152 -12.282) 15.910 8.419 ( 4.780 4.780 -6.659) 9.489 8.503 ( -2.653 -2.653 -6.558) 7.555 8.825 ( 2.364 2.364 -4.998) 6.013 8.865 ( -1.418 -1.418 -5.728) 6.069 8.969 ( -0.282 -0.282 3.647) 3.669 9.008 ( -2.487 -2.487 1.851) 3.975 9.411 ( -2.093 -2.093 0.453) 2.995 9.412 ( -2.556 -2.556 -0.407) 3.638 9.531 ( -7.929 -7.929 -2.393) 11.466 9.551 ( -9.610 -9.610 -1.573) 13.681 11.236 ( 28.976 28.976 2.341) 41.045 11.601 ( 4.052 4.052 3.722) 6.833 12.164 ( -1.300 -1.300 1.231) 2.213 12.506 ( -23.973 -23.973 2.131) 33.970 13.651 ( 15.995 15.995 -6.616) 23.567 13.674 ( 12.020 12.020 -7.764) 18.688 14.103 ( 1.658 1.658 -0.818) 2.483 14.310 ( -15.324 -15.324 -2.332) 21.797 14.313 ( 0.912 0.912 0.153) 1.299 14.465 ( -11.802 -11.802 -1.071) 16.725 17.410 ( 3.308 3.308 -6.032) 7.634 17.464 ( -1.604 -1.604 -4.281) 4.844 17.624 ( -0.004 -0.004 -11.716) 11.716 17.679 ( -5.116 -5.116 -10.188) 12.495 19.501 ( 9.132 9.132 -0.097) 12.915 19.581 ( 1.002 1.002 0.118) 1.422 20.335 ( 8.550 8.550 1.764) 12.219 20.416 ( 6.729 6.729 -1.838) 9.692 20.552 ( -3.030 -3.030 6.681) 7.937 20.673 ( -9.218 -9.218 2.637) 13.301 23.574 ( 0.170 0.170 14.867) 14.869 23.582 ( -0.552 -0.552 14.653) 14.674 24.404 ( 1.399 1.399 17.981) 18.090 24.450 ( -3.428 -3.428 18.841) 19.455 26.229 ( 3.139 3.139 -2.218) 4.963 26.252 ( 0.769 0.769 -2.231) 2.482 26.628 ( 0.194 0.194 -4.943) 4.950 26.645 ( -1.435 -1.435 -5.278) 5.655 27.293 ( 5.505 5.505 0.634) 7.811 27.354 ( -0.152 -0.152 0.004) 0.215 28.213 ( -0.161 -0.161 0.702) 0.738 28.325 ( -11.069 -11.069 -0.424) 15.659 29.582 ( 1.897 1.897 -11.580) 11.886 29.598 ( 0.241 0.241 -11.265) 11.270 ======================= Grid point 147 (31/60) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( 0.000 0.000 25.536) 25.536 1.884 ( 0.000 0.000 25.536) 25.536 2.671 ( 0.000 0.000 11.022) 11.022 3.435 ( 0.000 0.000 10.609) 10.609 3.435 ( 0.000 0.000 10.609) 10.609 3.795 ( 0.000 0.000 31.417) 31.417 3.906 ( 0.000 0.000 13.425) 13.425 4.002 ( 0.000 0.000 -5.177) 5.177 4.002 ( 0.000 0.000 -5.177) 5.177 4.748 ( 0.000 0.000 -14.253) 14.253 4.981 ( 0.000 0.000 -9.502) 9.502 4.981 ( 0.000 0.000 -9.502) 9.502 5.014 ( 0.000 0.000 5.732) 5.732 5.493 ( 0.000 0.000 -11.642) 11.642 5.493 ( 0.000 0.000 -11.642) 11.642 5.767 ( 0.000 0.000 6.291) 6.291 5.843 ( 0.000 0.000 -21.955) 21.955 6.267 ( 0.000 0.000 -7.690) 7.690 6.267 ( 0.000 0.000 -7.690) 7.690 6.360 ( 0.000 0.000 -5.227) 5.227 6.864 ( 0.000 0.000 -14.343) 14.343 7.096 ( 0.000 0.000 -0.393) 0.393 7.096 ( 0.000 0.000 -0.393) 0.393 7.329 ( 0.000 0.000 3.570) 3.570 7.397 ( 0.000 0.000 2.725) 2.725 8.082 ( 0.000 0.000 1.926) 1.926 8.290 ( 0.000 0.000 2.490) 2.490 8.290 ( 0.000 0.000 2.490) 2.490 8.429 ( 0.000 0.000 -3.070) 3.070 8.568 ( 0.000 0.000 1.159) 1.159 8.568 ( 0.000 0.000 1.159) 1.159 8.781 ( 0.000 0.000 0.397) 0.397 9.175 ( 0.000 0.000 -22.459) 22.459 9.779 ( 0.000 0.000 -5.248) 5.248 9.779 ( 0.000 0.000 -5.248) 5.248 9.807 ( 0.000 0.000 -18.509) 18.509 10.245 ( 0.000 0.000 2.943) 2.943 10.420 ( 0.000 0.000 -2.964) 2.964 10.420 ( 0.000 0.000 -2.964) 2.964 10.839 ( 0.000 0.000 -0.720) 0.720 11.418 ( 0.000 0.000 -3.928) 3.928 11.815 ( 0.000 0.000 -0.490) 0.490 12.693 ( 0.000 0.000 11.524) 11.524 13.635 ( 0.000 0.000 1.704) 1.704 13.635 ( 0.000 0.000 1.704) 1.704 14.110 ( 0.000 0.000 -2.603) 2.603 15.399 ( 0.000 0.000 1.132) 1.132 15.399 ( 0.000 0.000 1.132) 1.132 17.712 ( 0.000 0.000 -1.756) 1.756 17.712 ( 0.000 0.000 -1.756) 1.756 17.813 ( 0.000 0.000 3.566) 3.566 17.823 ( 0.000 0.000 -5.655) 5.655 18.258 ( 0.000 0.000 -6.863) 6.863 19.013 ( 0.000 0.000 0.892) 0.892 19.423 ( 0.000 0.000 -1.215) 1.215 19.423 ( 0.000 0.000 -1.215) 1.215 20.901 ( 0.000 0.000 7.869) 7.869 21.429 ( 0.000 0.000 1.423) 1.423 23.751 ( 0.000 0.000 10.460) 10.460 23.751 ( 0.000 0.000 10.460) 10.460 24.547 ( 0.000 0.000 16.741) 16.741 25.852 ( 0.000 0.000 0.055) 0.055 25.852 ( 0.000 0.000 0.055) 0.055 25.944 ( 0.000 0.000 -5.341) 5.341 26.655 ( 0.000 0.000 -0.185) 0.185 26.847 ( 0.000 0.000 -1.849) 1.849 26.884 ( 0.000 0.000 -2.186) 2.186 27.291 ( 0.000 0.000 -0.235) 0.235 27.291 ( 0.000 0.000 -0.235) 0.235 29.386 ( 0.000 0.000 -6.491) 6.491 29.386 ( 0.000 0.000 -6.491) 6.491 29.687 ( 0.000 0.000 -0.498) 0.498 ======================= Grid point 148 (32/60) ======================= q-point: ( 0.14 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( 13.681 0.000 22.990) 26.753 2.155 ( 25.218 0.000 22.330) 33.683 2.642 ( -1.891 0.000 8.704) 8.907 3.249 ( -11.650 0.000 9.907) 15.293 3.440 ( 1.356 0.000 10.481) 10.569 3.675 ( -12.348 0.000 17.860) 21.713 4.051 ( 9.212 0.000 1.927) 9.411 4.087 ( 10.398 0.000 4.244) 11.231 4.175 ( 12.347 0.000 -2.431) 12.584 4.672 ( -8.872 0.000 -5.147) 10.257 4.901 ( 1.606 0.000 -3.970) 4.282 5.001 ( 2.896 0.000 -7.680) 8.208 5.205 ( 9.533 0.000 2.703) 9.909 5.364 ( -10.468 0.000 -10.381) 14.742 5.470 ( -3.102 0.000 -10.817) 11.253 5.832 ( 4.960 0.000 0.565) 4.992 5.901 ( 6.529 0.000 -14.957) 16.320 6.207 ( -2.392 0.000 -9.161) 9.468 6.306 ( 2.588 0.000 -8.598) 8.979 6.418 ( 5.144 0.000 -2.295) 5.632 6.827 ( -4.022 0.000 -9.986) 10.766 7.071 ( -1.528 0.000 -1.449) 2.106 7.172 ( -0.889 0.000 -2.377) 2.537 7.302 ( 4.042 0.000 -1.772) 4.413 7.469 ( 6.976 0.000 1.762) 7.195 7.986 ( -9.741 0.000 0.782) 9.772 8.206 ( -9.388 0.000 0.498) 9.401 8.322 ( 1.371 0.000 1.061) 1.734 8.416 ( 3.999 0.000 -0.459) 4.026 8.556 ( 0.067 0.000 0.393) 0.399 8.636 ( 3.128 0.000 0.558) 3.177 8.765 ( -1.673 0.000 0.826) 1.866 9.045 ( -11.009 0.000 -15.664) 19.146 9.499 ( -15.329 0.000 -3.132) 15.646 9.612 ( -14.762 0.000 -6.033) 15.947 9.727 ( -7.504 0.000 -9.857) 12.388 10.142 ( -20.128 0.000 -1.513) 20.185 10.353 ( 1.609 0.000 -6.813) 7.001 10.916 ( 35.781 0.000 -8.815) 36.851 11.083 ( 19.832 0.000 -0.545) 19.840 11.437 ( 2.559 0.000 -5.124) 5.727 11.741 ( -5.541 0.000 -0.865) 5.608 12.662 ( -2.108 0.000 10.726) 10.931 13.726 ( 8.279 0.000 1.238) 8.371 13.785 ( 14.341 0.000 1.412) 14.411 14.030 ( -7.369 0.000 -2.169) 7.682 15.324 ( -7.704 0.000 0.688) 7.734 15.369 ( -3.692 0.000 0.268) 3.701 17.492 ( -13.798 0.000 -4.263) 14.441 17.561 ( -9.450 0.000 0.197) 9.452 17.876 ( 1.660 0.000 -0.172) 1.669 18.012 ( 9.597 0.000 -3.736) 10.299 18.286 ( 3.278 0.000 -4.813) 5.823 19.093 ( 7.837 0.000 0.058) 7.838 19.430 ( 2.411 0.000 -0.660) 2.500 19.593 ( 15.224 0.000 -1.622) 15.310 20.898 ( -0.357 0.000 7.623) 7.631 21.367 ( -6.410 0.000 1.528) 6.590 23.762 ( 1.074 0.000 10.621) 10.676 23.783 ( 2.914 0.000 10.748) 11.136 24.548 ( 0.667 0.000 16.189) 16.203 25.640 ( -16.074 0.000 4.318) 16.644 25.878 ( 2.551 0.000 -0.029) 2.551 26.011 ( 2.553 0.000 -3.203) 4.096 26.658 ( -0.021 0.000 -0.822) 0.822 26.802 ( -5.317 0.000 -2.190) 5.750 26.865 ( 2.141 0.000 -1.102) 2.408 27.296 ( 0.252 0.000 0.021) 0.253 27.570 ( 23.952 0.000 -4.969) 24.461 29.327 ( -6.205 0.000 -6.189) 8.764 29.364 ( -2.364 0.000 -6.926) 7.318 29.588 ( -9.603 0.000 -0.523) 9.617 ======================= Grid point 149 (33/60) ======================= q-point: ( 0.29 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( 11.946 0.000 14.358) 18.678 2.643 ( 3.159 0.000 6.250) 7.003 2.686 ( 27.448 0.000 17.400) 32.499 3.101 ( -4.260 0.000 8.423) 9.440 3.411 ( -13.074 0.000 18.514) 22.665 3.511 ( 2.895 0.000 3.256) 4.357 4.091 ( -6.918 0.000 -11.758) 13.643 4.242 ( 10.123 0.000 1.783) 10.278 4.416 ( 5.701 0.000 -3.719) 6.807 4.568 ( -1.185 0.000 7.226) 7.322 4.927 ( 2.186 0.000 1.001) 2.405 5.092 ( 7.843 0.000 -5.417) 9.532 5.214 ( -4.125 0.000 -5.236) 6.666 5.353 ( 6.847 0.000 4.060) 7.960 5.427 ( 0.495 0.000 -9.574) 9.587 5.921 ( 3.966 0.000 -3.115) 5.043 6.015 ( 4.718 0.000 -7.645) 8.984 6.219 ( 0.690 0.000 -9.434) 9.459 6.371 ( 5.371 0.000 1.223) 5.508 6.538 ( 6.831 0.000 -4.002) 7.917 6.716 ( -7.203 0.000 -8.440) 11.096 7.051 ( -1.510 0.000 -4.563) 4.807 7.076 ( -3.336 0.000 -4.121) 5.302 7.400 ( 0.423 0.000 -2.047) 2.091 7.631 ( 7.088 0.000 -3.825) 8.054 7.702 ( -18.406 0.000 -4.691) 18.994 8.103 ( 0.310 0.000 -4.221) 4.232 8.330 ( -0.849 0.000 3.030) 3.147 8.435 ( -0.738 0.000 -2.054) 2.183 8.599 ( 1.754 0.000 -5.267) 5.552 8.687 ( 2.405 0.000 -1.140) 2.661 8.751 ( 2.048 0.000 2.549) 3.270 8.864 ( -6.773 0.000 -5.910) 8.989 9.278 ( -15.425 0.000 -0.109) 15.426 9.327 ( -5.206 0.000 -0.677) 5.250 9.597 ( -6.542 0.000 -8.525) 10.746 9.803 ( -14.825 0.000 -0.413) 14.831 10.188 ( -18.295 0.000 -8.031) 19.980 11.297 ( 10.635 0.000 -3.944) 11.343 11.528 ( 9.400 0.000 -4.342) 10.354 11.572 ( 12.203 0.000 -11.041) 16.457 11.742 ( 12.170 0.000 -1.981) 12.330 12.677 ( 6.127 0.000 7.888) 9.988 13.710 ( -14.001 0.000 -0.007) 14.001 14.060 ( 15.376 0.000 -1.115) 15.417 14.112 ( 18.097 0.000 -0.086) 18.097 15.128 ( -12.477 0.000 -0.293) 12.480 15.232 ( -11.439 0.000 -2.372) 11.682 17.279 ( -7.786 0.000 -4.793) 9.143 17.404 ( -7.345 0.000 -0.302) 7.352 17.886 ( 0.238 0.000 -1.056) 1.083 18.054 ( -3.590 0.000 -3.956) 5.342 18.456 ( 13.903 0.000 -2.115) 14.063 19.143 ( -4.427 0.000 -2.579) 5.124 19.632 ( 18.464 0.000 -0.013) 18.464 19.896 ( 15.041 0.000 -1.259) 15.094 20.886 ( -0.840 0.000 6.859) 6.910 21.198 ( -11.135 0.000 1.970) 11.308 23.789 ( 1.780 0.000 11.037) 11.180 23.836 ( 2.084 0.000 11.449) 11.637 24.599 ( 5.366 0.000 15.394) 16.302 25.322 ( -17.037 0.000 11.335) 20.464 25.937 ( 3.401 0.000 -0.322) 3.416 26.036 ( 0.411 0.000 -1.839) 1.885 26.648 ( -0.821 0.000 -2.068) 2.225 26.715 ( -3.906 0.000 -2.963) 4.902 26.942 ( 6.040 0.000 0.386) 6.052 27.284 ( -2.025 0.000 0.795) 2.176 28.058 ( 26.156 0.000 -8.351) 27.457 29.159 ( -11.606 0.000 -5.860) 13.002 29.303 ( -3.781 0.000 -7.722) 8.598 29.384 ( -10.312 0.000 -2.109) 10.525 ======================= Grid point 150 (34/60) ======================= q-point: ( 0.43 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.507 ( 11.576 0.000 4.733) 12.506 2.660 ( -2.842 0.000 3.529) 4.532 3.068 ( 1.237 0.000 10.506) 10.578 3.158 ( 19.611 0.000 16.519) 25.641 3.180 ( -8.939 0.000 8.402) 12.268 3.457 ( -10.649 0.000 4.269) 11.473 4.060 ( 7.599 0.000 -6.697) 10.128 4.288 ( -11.566 0.000 -4.100) 12.271 4.417 ( 4.379 0.000 7.158) 8.391 4.508 ( -5.600 0.000 9.822) 11.306 5.041 ( 7.226 0.000 -9.542) 11.970 5.119 ( -1.124 0.000 -10.264) 10.325 5.339 ( 5.318 0.000 0.822) 5.381 5.392 ( -1.671 0.000 -4.556) 4.853 5.640 ( 23.469 0.000 1.537) 23.520 5.953 ( -3.783 0.000 0.508) 3.817 6.082 ( 3.121 0.000 -2.002) 3.708 6.176 ( -4.989 0.000 -4.090) 6.451 6.475 ( 5.663 0.000 4.010) 6.940 6.577 ( -5.186 0.000 -2.474) 5.746 6.660 ( 5.104 0.000 -11.566) 12.642 6.882 ( -17.121 0.000 -10.834) 20.261 7.116 ( 5.965 0.000 -6.716) 8.983 7.261 ( -9.716 0.000 -4.055) 10.528 7.537 ( 1.911 0.000 -2.534) 3.174 7.632 ( -5.291 0.000 -1.963) 5.643 8.210 ( 7.516 0.000 -7.269) 10.456 8.301 ( -2.482 0.000 -0.812) 2.611 8.462 ( 4.661 0.000 -7.094) 8.488 8.574 ( -4.931 0.000 -12.548) 13.482 8.741 ( 5.196 0.000 -2.231) 5.655 8.805 ( -0.844 0.000 -1.225) 1.488 8.831 ( 4.980 0.000 7.501) 9.003 8.994 ( -12.940 0.000 5.546) 14.078 9.385 ( 7.415 0.000 2.598) 7.857 9.483 ( -4.785 0.000 -5.045) 6.954 9.613 ( -3.334 0.000 -4.236) 5.391 9.793 ( -19.689 0.000 -5.506) 20.444 11.447 ( 6.440 0.000 -6.466) 9.126 11.545 ( -3.646 0.000 -7.859) 8.664 11.780 ( 10.900 0.000 -2.548) 11.194 11.909 ( -0.682 0.000 -2.617) 2.704 12.950 ( 21.169 0.000 3.218) 21.412 13.365 ( -21.220 0.000 1.221) 21.255 14.399 ( 17.010 0.000 -2.650) 17.215 14.431 ( 13.640 0.000 -0.311) 13.644 14.890 ( -10.664 0.000 -2.116) 10.872 14.955 ( -15.834 0.000 -5.454) 16.747 17.216 ( 0.783 0.000 -3.419) 3.507 17.282 ( -5.497 0.000 -1.576) 5.718 17.905 ( 2.097 0.000 -1.675) 2.684 17.968 ( -4.456 0.000 -2.511) 5.114 18.734 ( 14.644 0.000 -2.422) 14.843 18.984 ( -11.466 0.000 -2.722) 11.784 19.975 ( 14.637 0.000 -0.874) 14.663 20.088 ( 3.404 0.000 -0.868) 3.513 20.882 ( 1.430 0.000 5.461) 5.645 20.986 ( -9.795 0.000 3.306) 10.338 23.824 ( 1.801 0.000 11.521) 11.661 23.849 ( -0.569 0.000 11.783) 11.796 24.759 ( 11.508 0.000 15.302) 19.147 25.015 ( -15.292 0.000 14.700) 21.212 25.995 ( 2.573 0.000 -0.733) 2.675 26.030 ( -1.064 0.000 -1.172) 1.583 26.638 ( 0.075 0.000 -2.825) 2.826 26.658 ( -2.078 0.000 -3.131) 3.758 27.077 ( 7.707 0.000 1.397) 7.833 27.210 ( -5.855 0.000 1.541) 6.054 28.517 ( 22.253 0.000 -7.753) 23.565 28.888 ( -17.208 0.000 -6.281) 18.319 29.240 ( -2.154 0.000 -7.137) 7.455 29.251 ( -3.568 0.000 -5.912) 6.906 ======================= Grid point 155 (35/60) ======================= q-point: ( 0.14 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 4.940 4.940 17.158) 18.526 2.433 ( 17.889 17.889 24.582) 35.274 2.596 ( -3.885 -3.885 5.308) 7.640 3.099 ( -10.650 -10.650 14.179) 20.685 3.458 ( 6.598 6.598 3.442) 9.946 3.847 ( -1.555 -1.555 1.167) 2.490 3.937 ( 5.759 5.759 23.128) 24.520 4.110 ( -0.738 -0.738 -6.451) 6.535 4.343 ( 12.702 12.702 -3.049) 18.220 4.724 ( -5.587 -5.587 1.508) 8.044 4.726 ( -2.408 -2.408 -10.460) 11.000 5.097 ( 5.305 5.305 -1.868) 7.731 5.169 ( -2.358 -2.358 5.660) 6.570 5.377 ( -3.947 -3.947 -8.909) 10.513 5.449 ( 0.794 0.794 -8.844) 8.915 5.851 ( 2.001 2.001 -0.908) 2.972 5.903 ( 2.569 2.569 -10.699) 11.299 6.203 ( 1.069 1.069 -10.072) 10.184 6.386 ( 5.475 5.475 -9.470) 12.232 6.424 ( 2.867 2.867 -0.763) 4.125 6.904 ( 3.702 3.702 -9.610) 10.943 7.032 ( -2.818 -2.818 -3.004) 4.991 7.163 ( -1.680 -1.680 -2.248) 3.271 7.335 ( 4.116 4.116 -5.482) 7.997 7.491 ( 2.337 2.337 2.098) 3.915 7.905 ( -7.709 -7.709 0.138) 10.904 8.119 ( -7.937 -7.937 -3.325) 11.707 8.330 ( 0.279 0.279 -0.126) 0.414 8.411 ( 0.593 0.593 1.977) 2.148 8.598 ( 1.060 1.060 0.355) 1.540 8.629 ( 0.502 0.502 -2.302) 2.409 8.765 ( 0.187 0.187 0.812) 0.854 9.024 ( -2.604 -2.604 -10.882) 11.488 9.139 ( -17.490 -17.490 -0.732) 24.745 9.614 ( -4.209 -4.209 -8.694) 10.537 9.868 ( 1.907 1.907 -5.699) 6.305 10.060 ( -11.111 -11.111 -3.554) 16.111 10.366 ( -5.631 -5.631 -9.905) 12.709 10.811 ( 7.071 7.071 2.400) 10.284 11.080 ( -14.595 -14.595 -2.800) 20.829 11.531 ( 27.894 27.894 -11.188) 41.005 12.061 ( 17.449 17.449 -3.045) 24.864 12.621 ( -2.884 -2.884 10.219) 11.003 13.708 ( 1.831 1.831 1.139) 2.829 13.928 ( 10.636 10.636 1.232) 15.092 13.961 ( -5.936 -5.936 -1.760) 8.577 15.253 ( -7.313 -7.313 0.370) 10.348 15.319 ( -5.701 -5.701 -0.405) 8.072 17.357 ( -9.185 -9.185 -2.425) 13.214 17.558 ( -3.079 -3.079 -4.747) 6.441 17.768 ( -5.848 -5.848 0.661) 8.296 18.194 ( -6.383 -6.383 -4.504) 10.089 18.248 ( 16.356 16.356 -2.710) 23.289 19.270 ( 14.875 14.875 0.088) 21.036 19.445 ( 1.244 1.244 -0.906) 1.979 19.679 ( 9.921 9.921 -1.531) 14.114 20.890 ( -0.811 -0.811 7.410) 7.498 21.316 ( -5.488 -5.488 1.571) 7.919 23.775 ( 1.154 1.154 11.149) 11.268 23.800 ( 1.860 1.860 10.703) 11.022 24.554 ( 0.961 0.961 15.803) 15.861 25.507 ( -12.176 -12.176 7.905) 18.947 25.894 ( 2.230 2.230 -0.412) 3.181 26.055 ( 2.804 2.804 -2.942) 4.938 26.647 ( -1.071 -1.071 -1.357) 2.034 26.770 ( -3.275 -3.275 -2.608) 5.316 26.888 ( 3.036 3.036 -0.485) 4.320 27.316 ( 1.049 1.049 -0.297) 1.513 27.725 ( 15.408 15.408 -5.843) 22.561 29.222 ( -8.497 -8.497 -6.020) 13.440 29.384 ( -0.286 -0.286 -6.912) 6.924 29.513 ( -7.166 -7.166 -1.369) 10.226 ======================= Grid point 156 (36/60) ======================= q-point: ( 0.29 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( 11.708 -7.191 7.195) 15.510 2.545 ( 0.199 -8.081 0.993) 8.144 2.713 ( 11.498 1.574 18.332) 21.696 2.995 ( -0.195 -8.344 15.844) 17.908 3.543 ( -2.968 17.044 3.643) 17.680 3.736 ( -3.843 13.490 6.771) 15.575 4.041 ( -1.331 -6.038 -10.317) 12.027 4.166 ( 8.977 -5.679 10.296) 14.794 4.432 ( -7.157 0.264 -3.429) 7.940 4.638 ( 2.441 5.858 1.738) 6.579 4.784 ( 4.256 -10.369 -5.511) 12.491 5.099 ( 3.067 -3.781 7.124) 8.628 5.240 ( 4.965 4.298 1.785) 6.805 5.332 ( -0.490 -5.542 -4.714) 7.292 5.444 ( 1.219 4.265 -4.164) 6.084 5.908 ( 4.270 -0.376 -2.632) 5.030 5.970 ( 1.748 -0.964 -4.442) 4.870 6.268 ( 4.703 5.563 -7.610) 10.535 6.432 ( 2.103 6.292 -3.632) 7.563 6.573 ( 8.164 2.110 -3.916) 9.297 6.853 ( -5.218 10.459 -9.704) 15.192 7.032 ( 0.877 -1.822 -4.832) 5.238 7.124 ( -1.418 4.233 -5.057) 6.745 7.386 ( -0.854 -1.144 -4.579) 4.796 7.545 ( 0.386 -6.289 -2.006) 6.613 7.707 ( -11.246 -0.713 -4.670) 12.198 8.044 ( 1.531 -5.177 -6.112) 8.155 8.309 ( -2.218 -2.804 -0.713) 3.646 8.380 ( -2.772 -6.405 -2.431) 7.391 8.587 ( -1.559 0.174 -4.542) 4.805 8.659 ( 1.432 -3.702 -0.189) 3.973 8.769 ( -1.185 1.545 -4.721) 5.106 8.887 ( -4.184 1.466 0.789) 4.503 9.066 ( 3.176 -2.923 2.688) 5.085 9.500 ( -7.977 1.028 -5.367) 9.669 9.702 ( -15.236 4.613 -2.027) 16.048 9.829 ( -9.096 7.163 -3.218) 12.017 10.209 ( -13.217 -3.246 -8.762) 16.186 10.792 ( 3.558 -37.216 -3.369) 37.537 11.157 ( 4.401 0.394 0.778) 4.486 12.048 ( 25.892 23.763 -12.673) 37.359 12.302 ( 9.071 32.479 -3.988) 33.957 12.624 ( 4.595 -3.170 7.932) 9.699 13.638 ( -13.312 -7.226 -0.066) 15.146 13.989 ( 12.573 -4.071 -0.777) 13.239 14.163 ( 13.916 2.846 0.271) 14.207 15.063 ( -12.332 -6.619 -0.408) 14.002 15.142 ( -13.226 -9.503 -2.438) 16.468 17.226 ( -3.993 -3.402 -3.646) 6.388 17.442 ( -7.750 2.535 -3.319) 8.804 17.722 ( 0.474 -11.657 -2.193) 11.871 18.029 ( -9.233 -7.014 -3.608) 12.143 18.594 ( 18.247 15.193 -1.930) 23.822 19.326 ( -5.991 15.070 -1.438) 16.281 19.692 ( 20.520 6.483 -0.307) 21.522 19.922 ( 13.785 3.342 -1.041) 14.222 20.868 ( -1.474 -1.915 6.732) 7.152 21.165 ( -10.286 -3.693 1.924) 11.097 23.801 ( 1.544 1.104 11.578) 11.733 23.838 ( 1.623 0.293 11.420) 11.538 24.605 ( 4.999 0.848 15.320) 16.138 25.247 ( -14.584 -7.271 12.892) 20.779 25.954 ( 3.818 2.245 -0.912) 4.522 26.086 ( 0.419 3.984 -2.309) 4.624 26.624 ( -1.118 -2.142 -2.211) 3.275 26.700 ( -3.722 -1.773 -3.119) 5.169 26.978 ( 6.321 3.726 0.557) 7.359 27.312 ( -1.849 2.495 0.275) 3.118 28.076 ( 20.192 2.097 -6.437) 21.297 29.026 ( -12.272 -11.078 -5.368) 17.383 29.338 ( -4.798 -0.440 -5.232) 7.113 29.377 ( -5.348 0.931 -6.483) 8.455 ======================= Grid point 157 (37/60) ======================= q-point: ( 0.43 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.393 ( 10.181 -10.710 -1.339) 14.837 2.534 ( -3.680 -11.373 -1.053) 12.000 2.913 ( 9.501 -6.395 10.305) 15.406 3.024 ( -0.394 -6.868 12.889) 14.610 3.470 ( 0.225 15.225 6.258) 16.462 3.588 ( -10.080 8.994 2.731) 13.782 4.058 ( 4.144 -1.394 -1.389) 4.587 4.199 ( -8.914 -6.108 2.138) 11.016 4.394 ( 7.091 -2.406 7.799) 10.811 4.542 ( -8.359 1.472 8.117) 11.744 4.962 ( 11.352 -5.210 -7.703) 14.675 5.134 ( -5.074 -5.445 -6.430) 9.836 5.318 ( 3.171 -1.280 -0.576) 3.467 5.351 ( 1.408 -4.313 1.717) 4.851 5.612 ( 16.642 1.506 -0.064) 16.710 5.885 ( -9.341 -5.028 -1.946) 10.785 6.056 ( 10.740 3.649 -0.941) 11.382 6.294 ( -9.009 8.066 -1.428) 12.176 6.467 ( 7.615 3.733 -3.295) 9.099 6.626 ( -4.083 5.002 -0.385) 6.468 6.840 ( 4.164 11.775 -11.900) 17.251 6.974 ( -8.410 6.750 -10.983) 15.392 7.152 ( 5.642 4.032 -5.627) 8.930 7.300 ( -8.429 3.318 -3.297) 9.640 7.482 ( 1.595 -5.226 -4.430) 7.034 7.582 ( -5.669 -3.967 -2.838) 7.478 8.137 ( 6.278 -6.865 -6.803) 11.525 8.240 ( -4.760 -5.582 -3.630) 8.185 8.413 ( 6.525 -7.876 -6.875) 12.324 8.539 ( -4.455 -3.445 -7.510) 9.388 8.668 ( 0.230 -4.421 -2.863) 5.272 8.703 ( -3.633 -0.137 -6.762) 7.678 8.932 ( 6.358 5.212 4.707) 9.473 9.071 ( -5.994 3.520 5.353) 8.774 9.393 ( 0.256 1.178 2.885) 3.127 9.476 ( -7.825 -1.286 0.127) 7.931 9.762 ( 3.038 13.199 -5.473) 14.608 9.936 ( -13.755 6.562 -7.047) 16.790 10.942 ( 9.645 -29.990 -3.381) 31.683 11.109 ( -7.265 -14.156 -1.077) 15.947 12.375 ( 7.486 32.549 -7.013) 34.128 12.414 ( 2.323 34.350 -4.040) 34.665 12.869 ( 21.514 -7.673 2.920) 23.027 13.297 ( -21.638 -7.020 0.729) 22.760 14.306 ( 18.037 -7.793 -2.018) 19.751 14.418 ( 10.371 -2.677 -0.537) 10.725 14.814 ( -12.331 -8.201 -2.152) 14.964 14.855 ( -14.597 -9.429 -4.261) 17.892 17.215 ( 2.597 0.375 -3.528) 4.397 17.305 ( -6.449 1.976 -2.912) 7.347 17.765 ( 3.941 -11.156 -3.337) 12.293 17.870 ( -7.211 -9.483 -3.455) 12.404 18.912 ( 15.272 16.264 -1.615) 22.369 19.162 ( -11.186 15.616 -1.561) 19.272 20.034 ( 13.342 6.087 -0.880) 14.692 20.117 ( 4.720 3.144 -0.675) 5.711 20.854 ( 1.248 -2.911 5.407) 6.266 20.961 ( -9.869 -2.791 3.201) 10.744 23.830 ( 1.492 0.619 11.894) 12.003 23.850 ( -0.374 0.118 11.960) 11.967 24.750 ( 10.290 -0.844 15.480) 18.607 24.979 ( -13.591 -3.640 15.271) 20.764 26.024 ( 3.350 3.049 -1.411) 4.744 26.073 ( -1.728 3.933 -1.831) 4.670 26.615 ( 0.340 -2.188 -2.802) 3.571 26.640 ( -2.389 -1.811 -3.133) 4.337 27.112 ( 7.499 3.594 1.259) 8.411 27.241 ( -5.656 3.108 1.177) 6.560 28.444 ( 18.462 -6.944 -5.428) 20.458 28.764 ( -15.529 -11.114 -4.861) 19.706 29.271 ( -0.926 2.292 -7.144) 7.559 29.300 ( -3.320 4.109 -8.657) 10.141 ======================= Grid point 163 (38/60) ======================= q-point: ( 0.29 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( -0.075 -0.075 -5.232) 5.233 2.411 ( -4.708 -4.708 -2.701) 7.184 2.748 ( 2.576 2.576 11.531) 12.093 2.916 ( -0.153 -0.153 11.155) 11.157 3.800 ( -5.035 -5.035 -7.280) 10.184 3.845 ( 3.544 3.544 7.890) 9.347 3.934 ( -1.821 -1.821 -0.499) 2.623 4.103 ( 3.187 3.187 15.217) 15.870 4.447 ( -4.124 -4.124 4.948) 7.649 4.506 ( -7.421 -7.421 -5.312) 11.763 4.782 ( 0.239 0.239 0.473) 0.581 5.065 ( 5.449 5.449 5.664) 9.564 5.127 ( -11.399 -11.399 -1.721) 16.213 5.392 ( 8.405 8.405 6.813) 13.700 5.572 ( 7.885 7.885 1.964) 11.323 5.931 ( 2.355 2.355 -3.784) 5.041 5.978 ( 1.641 1.641 -2.638) 3.513 6.394 ( 7.189 7.189 -2.302) 10.425 6.568 ( 3.288 3.288 -4.494) 6.467 6.671 ( 10.576 10.576 -12.522) 19.506 6.936 ( -1.341 -1.341 -6.002) 6.294 7.022 ( 0.953 0.953 -7.511) 7.631 7.185 ( 1.624 1.624 -6.544) 6.935 7.383 ( 0.596 0.596 -9.089) 9.128 7.434 ( -4.980 -4.980 1.809) 7.271 7.688 ( -2.131 -2.131 -6.301) 6.985 7.954 ( -3.163 -3.163 -8.503) 9.608 8.224 ( -3.080 -3.080 -5.480) 7.001 8.251 ( -7.373 -7.373 -3.176) 10.900 8.551 ( -3.972 -3.972 -1.407) 5.791 8.637 ( 1.309 1.309 -6.112) 6.386 8.786 ( -0.572 -0.572 -8.074) 8.114 8.924 ( 2.546 2.546 -0.360) 3.618 9.087 ( 1.990 1.990 7.888) 8.374 9.488 ( -1.291 -1.291 -2.920) 3.444 9.649 ( -9.212 -9.212 -0.001) 13.028 9.835 ( -7.685 -7.685 -4.144) 11.632 10.105 ( -21.350 -21.350 -2.738) 30.317 10.355 ( 12.918 12.918 -4.311) 18.771 11.384 ( 10.720 10.720 3.019) 15.458 12.235 ( 2.698 2.698 -4.473) 5.879 12.748 ( 14.267 14.267 -0.892) 20.196 12.815 ( 20.641 20.641 -4.977) 29.612 13.448 ( -12.845 -12.845 -1.206) 18.206 13.973 ( 3.826 3.826 -0.533) 5.437 14.225 ( 4.730 4.730 0.584) 6.714 14.890 ( -16.383 -16.383 -2.740) 23.331 14.893 ( -11.345 -11.345 -0.936) 16.072 17.194 ( 0.342 0.342 -4.018) 4.047 17.472 ( -1.758 -1.758 -6.719) 7.164 17.531 ( -5.547 -5.547 -1.881) 8.067 17.851 ( -10.183 -10.183 -4.419) 15.063 18.932 ( 18.463 18.463 -1.170) 26.136 19.514 ( 2.213 2.213 -0.290) 3.143 19.909 ( 16.286 16.286 -0.969) 23.052 20.043 ( 9.224 9.224 -0.467) 13.054 20.817 ( -3.229 -3.229 6.290) 7.773 21.053 ( -8.147 -8.147 2.043) 11.701 23.825 ( 1.279 1.279 12.529) 12.659 23.848 ( 0.638 0.638 11.713) 11.748 24.641 ( 3.298 3.298 15.362) 16.055 25.079 ( -9.886 -9.886 15.233) 20.676 26.019 ( 4.229 4.229 -1.941) 6.288 26.146 ( 1.847 1.847 -2.975) 3.959 26.585 ( -1.649 -1.649 -2.526) 3.438 26.652 ( -3.034 -3.034 -3.294) 5.409 27.075 ( 6.269 6.269 0.876) 8.909 27.348 ( 0.476 0.476 -0.242) 0.716 28.146 ( 5.670 5.670 -2.855) 8.511 28.789 ( -13.640 -13.640 -4.121) 19.725 29.309 ( -1.016 -1.016 -6.981) 7.127 29.390 ( -0.481 -0.481 -9.159) 9.184 ======================= Grid point 164 (39/60) ======================= q-point: ( 0.43 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( 7.632 -8.841 -11.435) 16.346 2.332 ( -5.787 -8.935 -7.296) 12.906 2.832 ( 6.314 -2.864 1.723) 7.144 2.924 ( -1.493 -4.044 2.608) 5.038 3.644 ( -3.533 2.245 -1.498) 4.446 3.727 ( -9.557 5.506 6.321) 12.712 4.007 ( 5.586 -0.530 6.749) 8.777 4.155 ( -7.488 1.341 11.535) 13.818 4.321 ( 6.375 -5.753 10.177) 13.316 4.483 ( -5.891 -8.990 8.679) 13.815 4.765 ( 3.364 -14.396 0.850) 14.808 4.906 ( -9.908 -17.492 0.105) 20.103 5.294 ( 12.302 8.008 0.015) 14.679 5.451 ( -3.407 10.439 2.361) 11.231 5.750 ( 10.529 10.540 0.927) 14.926 5.907 ( -5.209 6.368 -3.195) 8.826 6.130 ( 14.071 2.934 -0.289) 14.377 6.405 ( -10.912 5.201 2.396) 12.323 6.635 ( 8.131 7.458 -4.027) 11.746 6.764 ( -2.417 9.808 -5.317) 11.416 6.981 ( 4.156 3.002 -14.560) 15.436 7.034 ( 0.631 -0.482 -8.348) 8.386 7.223 ( 4.017 1.827 -5.669) 7.185 7.326 ( -5.566 -2.218 -2.235) 6.395 7.423 ( 3.815 2.251 -6.630) 7.973 7.570 ( -9.675 4.232 -8.258) 13.406 7.973 ( 5.099 -10.562 -7.763) 14.064 8.103 ( -7.802 -8.732 -6.633) 13.458 8.270 ( 7.474 -4.513 -6.959) 11.165 8.441 ( -8.361 -5.037 -5.452) 11.181 8.675 ( 2.664 3.014 -6.440) 7.593 8.737 ( -3.699 2.296 -7.328) 8.524 8.988 ( 4.271 0.279 -0.287) 4.290 9.076 ( -3.874 -2.511 2.631) 5.314 9.437 ( -3.171 2.673 4.530) 6.141 9.468 ( -5.124 0.274 3.560) 6.245 9.767 ( -0.847 -16.051 -4.117) 16.592 9.808 ( -7.112 -16.182 -4.297) 18.191 10.777 ( 26.146 16.249 -0.243) 30.784 11.250 ( -21.339 24.527 2.162) 32.582 12.509 ( 23.209 -18.287 0.948) 29.563 12.861 ( -7.494 2.371 1.199) 7.951 13.079 ( 8.103 28.089 -5.833) 29.810 13.204 ( -9.482 8.143 -5.989) 13.859 14.154 ( 14.528 -7.217 -1.432) 16.285 14.343 ( 4.118 -4.262 -0.222) 5.931 14.575 ( -12.449 -15.744 -3.019) 20.297 14.662 ( -12.475 -11.164 -1.560) 16.813 17.239 ( 4.276 2.221 -4.369) 6.504 17.346 ( -6.976 2.448 -4.571) 8.692 17.562 ( 4.414 -9.741 -5.206) 11.894 17.677 ( -7.896 -9.974 -5.200) 13.743 19.243 ( 14.087 16.971 -0.602) 22.064 19.450 ( -7.749 12.679 -0.317) 14.863 20.188 ( 10.040 9.158 -0.725) 13.609 20.213 ( 6.532 7.759 -0.465) 10.153 20.774 ( 0.277 -5.508 5.238) 7.606 20.876 ( -9.438 -6.232 3.001) 11.701 23.846 ( 0.897 0.895 12.795) 12.857 23.855 ( -0.030 0.409 12.498) 12.505 24.737 ( 6.894 -0.294 15.833) 17.271 24.894 ( -9.478 -4.983 16.168) 19.393 26.098 ( 3.778 4.265 -2.825) 6.359 26.149 ( -1.446 3.491 -3.191) 4.946 26.571 ( 0.340 -2.056 -2.868) 3.545 26.598 ( -2.385 -2.406 -3.178) 4.645 27.201 ( 6.795 5.543 0.971) 8.823 27.311 ( -4.327 3.792 0.402) 5.768 28.299 ( 10.532 -7.217 -1.611) 12.869 28.529 ( -13.525 -12.843 -2.619) 18.834 29.317 ( 1.732 2.381 -9.580) 10.023 29.360 ( -2.388 2.006 -9.993) 10.468 ======================= Grid point 171 (40/60) ======================= q-point: ( 0.43 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( 0.970 0.970 -16.481) 16.538 2.193 ( -6.322 -6.322 -13.864) 16.496 2.809 ( 0.792 0.792 -9.150) 9.218 2.855 ( -3.458 -3.458 -9.081) 10.314 3.668 ( 3.024 3.024 3.326) 5.418 3.747 ( -2.936 -2.936 7.472) 8.548 4.074 ( 4.967 4.967 5.461) 8.897 4.201 ( 2.863 2.863 20.925) 21.313 4.223 ( -7.600 -7.600 2.909) 11.134 4.280 ( -4.107 -4.107 22.695) 23.427 4.560 ( -6.762 -6.762 6.990) 11.845 4.600 ( -11.319 -11.319 3.853) 16.464 5.515 ( 10.924 10.924 -3.215) 15.779 5.605 ( 2.525 2.525 -1.886) 4.039 5.938 ( 8.887 8.887 -0.854) 12.597 6.030 ( 1.438 1.438 -4.809) 5.222 6.220 ( 10.736 10.736 4.904) 15.955 6.451 ( -5.940 -5.940 5.533) 10.059 6.644 ( 0.798 0.798 4.199) 4.348 6.778 ( -8.657 -8.657 3.897) 12.848 7.074 ( 7.929 7.929 -16.694) 20.110 7.105 ( 5.723 5.723 -20.573) 22.108 7.248 ( 0.250 0.250 -6.798) 6.807 7.260 ( -2.669 -2.669 -7.073) 8.017 7.527 ( 7.428 7.428 -6.846) 12.539 7.675 ( 0.443 0.443 -12.033) 12.049 7.776 ( -3.990 -3.990 -6.671) 8.737 7.918 ( -10.533 -10.533 -8.059) 16.936 8.272 ( 3.915 3.915 -7.869) 9.621 8.361 ( -4.359 -4.359 -7.672) 9.842 8.736 ( 2.903 2.903 -5.157) 6.591 8.765 ( 0.148 0.148 -4.978) 4.982 8.967 ( -0.575 -0.575 -2.955) 3.065 9.008 ( -4.085 -4.085 -1.151) 5.890 9.416 ( -5.799 -5.799 -0.301) 8.207 9.416 ( -6.097 -6.097 -1.255) 8.713 9.552 ( -1.186 -1.186 4.904) 5.183 9.573 ( -4.129 -4.129 4.155) 7.166 11.277 ( 30.652 30.652 1.731) 43.383 11.674 ( 4.163 4.163 3.530) 6.865 12.185 ( -1.574 -1.574 0.770) 2.356 12.553 ( -25.025 -25.025 2.442) 35.475 13.511 ( 13.192 13.192 -8.187) 20.374 13.513 ( 14.456 14.456 -7.014) 21.614 14.082 ( 1.576 1.576 -1.229) 2.545 14.263 ( -14.207 -14.207 -2.330) 20.226 14.316 ( 0.765 0.765 0.114) 1.087 14.446 ( -10.852 -10.852 -0.863) 15.371 17.300 ( 4.236 4.236 -4.913) 7.748 17.388 ( -1.924 -1.924 -3.265) 4.250 17.424 ( -0.694 -0.694 -8.293) 8.351 17.515 ( -7.073 -7.073 -6.444) 11.899 19.500 ( 9.607 9.607 -0.003) 13.586 19.584 ( 1.129 1.129 0.138) 1.602 20.348 ( 7.891 7.891 -0.102) 11.160 20.384 ( 6.627 6.627 -1.374) 9.472 20.671 ( -3.463 -3.463 5.171) 7.122 20.735 ( -7.991 -7.991 3.331) 11.782 23.860 ( 0.498 0.498 13.438) 13.457 23.862 ( 0.215 0.215 13.225) 13.228 24.749 ( 1.791 1.791 16.194) 16.391 24.805 ( -4.080 -4.080 16.448) 17.430 26.166 ( 2.652 2.652 -3.980) 5.468 26.188 ( 0.466 0.466 -4.118) 4.170 26.548 ( -0.314 -0.314 -3.034) 3.066 26.560 ( -1.488 -1.488 -3.180) 3.814 27.304 ( 4.751 4.751 0.481) 6.737 27.354 ( -0.040 -0.040 0.003) 0.056 28.222 ( 0.161 0.161 0.268) 0.352 28.315 ( -9.076 -9.076 -0.568) 12.848 29.356 ( 1.654 1.654 -10.793) 11.044 29.375 ( -0.281 -0.281 -10.779) 10.786 ======================= Grid point 196 (41/60) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( 0.000 0.000 14.201) 14.201 2.281 ( 0.000 0.000 14.201) 14.201 2.930 ( 0.000 0.000 13.741) 13.741 3.619 ( 0.000 0.000 7.487) 7.487 3.619 ( 0.000 0.000 7.487) 7.487 3.922 ( 0.000 0.000 -7.351) 7.351 3.944 ( 0.000 0.000 -1.063) 1.063 3.944 ( 0.000 0.000 -1.063) 1.063 4.013 ( 0.000 0.000 -4.144) 4.144 4.633 ( 0.000 0.000 5.216) 5.216 4.823 ( 0.000 0.000 -4.924) 4.924 4.823 ( 0.000 0.000 -4.924) 4.924 5.259 ( 0.000 0.000 -11.790) 11.790 5.259 ( 0.000 0.000 -11.790) 11.790 5.390 ( 0.000 0.000 17.734) 17.734 5.413 ( 0.000 0.000 -21.090) 21.090 5.871 ( 0.000 0.000 8.010) 8.010 6.128 ( 0.000 0.000 -5.753) 5.753 6.128 ( 0.000 0.000 -5.753) 5.753 6.427 ( 0.000 0.000 10.678) 10.678 6.677 ( 0.000 0.000 -3.703) 3.703 7.113 ( 0.000 0.000 1.516) 1.516 7.113 ( 0.000 0.000 1.516) 1.516 7.414 ( 0.000 0.000 6.039) 6.039 7.441 ( 0.000 0.000 1.705) 1.705 8.108 ( 0.000 0.000 0.782) 0.782 8.279 ( 0.000 0.000 -23.820) 23.820 8.313 ( 0.000 0.000 0.081) 0.081 8.313 ( 0.000 0.000 0.081) 0.081 8.538 ( 0.000 0.000 -8.131) 8.131 8.602 ( 0.000 0.000 2.035) 2.035 8.602 ( 0.000 0.000 2.035) 2.035 8.934 ( 0.000 0.000 -6.042) 6.042 9.524 ( 0.000 0.000 -9.103) 9.103 9.679 ( 0.000 0.000 -4.335) 4.335 9.679 ( 0.000 0.000 -4.335) 4.335 10.292 ( 0.000 0.000 1.773) 1.773 10.384 ( 0.000 0.000 -0.946) 0.946 10.384 ( 0.000 0.000 -0.946) 0.946 10.836 ( 0.000 0.000 0.067) 0.067 11.352 ( 0.000 0.000 -2.531) 2.531 11.807 ( 0.000 0.000 -0.289) 0.289 12.890 ( 0.000 0.000 7.851) 7.851 13.661 ( 0.000 0.000 0.902) 0.902 13.661 ( 0.000 0.000 0.902) 0.902 14.058 ( 0.000 0.000 -2.416) 2.416 15.417 ( 0.000 0.000 0.655) 0.655 15.417 ( 0.000 0.000 0.655) 0.655 17.684 ( 0.000 0.000 -0.981) 0.981 17.684 ( 0.000 0.000 -0.981) 0.981 17.736 ( 0.000 0.000 -3.080) 3.080 17.880 ( 0.000 0.000 3.057) 3.057 18.144 ( 0.000 0.000 -4.630) 4.630 19.022 ( 0.000 0.000 0.137) 0.137 19.403 ( 0.000 0.000 -0.726) 0.726 19.403 ( 0.000 0.000 -0.726) 0.726 21.024 ( 0.000 0.000 4.452) 4.452 21.454 ( 0.000 0.000 1.049) 1.049 23.920 ( 0.000 0.000 6.308) 6.308 23.920 ( 0.000 0.000 6.308) 6.308 24.831 ( 0.000 0.000 11.404) 11.404 25.840 ( 0.000 0.000 -4.752) 4.752 25.853 ( 0.000 0.000 -0.006) 0.006 25.853 ( 0.000 0.000 -0.006) 0.006 26.661 ( 0.000 0.000 0.620) 0.620 26.808 ( 0.000 0.000 -1.835) 1.835 26.847 ( 0.000 0.000 -1.445) 1.445 27.287 ( 0.000 0.000 -0.145) 0.145 27.287 ( 0.000 0.000 -0.145) 0.145 29.280 ( 0.000 0.000 -3.994) 3.994 29.280 ( 0.000 0.000 -3.994) 3.994 29.679 ( 0.000 0.000 -0.303) 0.303 ======================= Grid point 197 (42/60) ======================= q-point: ( 0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( 9.218 0.000 12.990) 15.928 2.503 ( 20.770 0.000 12.098) 24.037 2.865 ( -4.381 0.000 12.863) 13.588 3.385 ( -13.798 0.000 4.193) 14.421 3.598 ( -2.360 0.000 5.653) 6.126 3.874 ( -6.237 0.000 6.215) 8.805 3.963 ( -3.346 0.000 -8.524) 9.157 4.037 ( 6.458 0.000 -4.239) 7.725 4.115 ( 12.549 0.000 -4.724) 13.409 4.626 ( -1.714 0.000 -2.058) 2.678 4.852 ( 4.966 0.000 -1.978) 5.345 4.947 ( 8.083 0.000 1.706) 8.261 5.175 ( -3.470 0.000 -7.319) 8.100 5.244 ( -1.893 0.000 -9.361) 9.550 5.423 ( 2.337 0.000 8.288) 8.611 5.616 ( 17.411 0.000 -12.842) 21.635 5.886 ( 1.307 0.000 5.257) 5.417 6.039 ( -5.749 0.000 -6.802) 8.906 6.176 ( 4.655 0.000 -4.030) 6.157 6.468 ( 3.284 0.000 7.567) 8.249 6.690 ( -0.092 0.000 -2.419) 2.421 7.077 ( -2.546 0.000 1.737) 3.083 7.148 ( 1.676 0.000 0.396) 1.722 7.335 ( -5.182 0.000 4.668) 6.975 7.508 ( 5.628 0.000 1.910) 5.943 7.989 ( -13.187 0.000 -0.896) 13.218 8.110 ( -10.051 0.000 -15.478) 18.455 8.326 ( -0.461 0.000 0.084) 0.468 8.405 ( 5.036 0.000 -0.951) 5.125 8.508 ( -2.077 0.000 -6.032) 6.380 8.614 ( 1.861 0.000 -0.577) 1.948 8.682 ( 5.046 0.000 0.023) 5.046 8.870 ( -5.344 0.000 -6.253) 8.225 9.435 ( -16.091 0.000 -4.369) 16.674 9.481 ( -4.809 0.000 -3.967) 6.234 9.588 ( -8.309 0.000 -4.210) 9.315 10.128 ( -18.338 0.000 -0.055) 18.338 10.231 ( -4.443 0.000 -4.699) 6.467 10.841 ( 32.307 0.000 -0.816) 32.317 11.074 ( 17.702 0.000 -0.367) 17.706 11.351 ( 0.897 0.000 -3.344) 3.462 11.727 ( -6.269 0.000 -0.474) 6.287 12.844 ( -3.718 0.000 7.149) 8.058 13.755 ( 8.332 0.000 1.685) 8.501 13.802 ( 13.493 0.000 0.159) 13.494 13.984 ( -6.717 0.000 -2.182) 7.062 15.336 ( -8.291 0.000 0.467) 8.304 15.373 ( -5.264 0.000 0.083) 5.265 17.427 ( -14.795 0.000 -2.298) 14.972 17.564 ( -8.816 0.000 0.071) 8.816 17.865 ( 2.084 0.000 -1.013) 2.317 17.973 ( 5.681 0.000 -0.377) 5.694 18.208 ( 7.497 0.000 -2.976) 8.066 19.091 ( 5.502 0.000 -0.215) 5.507 19.423 ( 3.909 0.000 -0.146) 3.912 19.564 ( 14.944 0.000 -1.150) 14.988 21.016 ( -0.819 0.000 4.279) 4.357 21.394 ( -6.241 0.000 1.094) 6.336 23.933 ( 1.333 0.000 6.401) 6.538 23.957 ( 3.455 0.000 6.524) 7.383 24.818 ( -0.675 0.000 10.517) 10.539 25.685 ( -10.094 0.000 0.835) 10.128 25.880 ( 2.560 0.000 0.245) 2.572 25.946 ( 3.747 0.000 -3.048) 4.830 26.650 ( -1.261 0.000 -0.079) 1.264 26.768 ( -5.735 0.000 -1.279) 5.876 26.843 ( 3.601 0.000 -0.984) 3.733 27.296 ( 0.650 0.000 -0.035) 0.651 27.503 ( 19.618 0.000 -2.131) 19.733 29.225 ( -5.876 0.000 -3.883) 7.043 29.251 ( -2.937 0.000 -4.184) 5.111 29.580 ( -9.863 0.000 -0.290) 9.867 ======================= Grid point 198 (43/60) ======================= q-point: ( 0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.482 ( 1.052 0.000 5.534) 5.633 2.821 ( 4.524 0.000 9.925) 10.907 2.970 ( 17.741 0.000 11.414) 21.096 3.235 ( -1.940 0.000 6.991) 7.255 3.511 ( -6.292 0.000 0.339) 6.301 3.749 ( -7.832 0.000 7.761) 11.027 3.847 ( -3.907 0.000 -9.862) 10.608 4.275 ( 14.326 0.000 1.143) 14.371 4.342 ( 12.688 0.000 -1.236) 12.748 4.555 ( -2.884 0.000 -7.198) 7.754 4.927 ( 0.300 0.000 0.180) 0.349 5.049 ( 2.182 0.000 2.313) 3.180 5.176 ( 0.388 0.000 -6.213) 6.225 5.234 ( 4.488 0.000 -2.686) 5.231 5.436 ( -0.865 0.000 0.136) 0.876 5.886 ( 6.836 0.000 -5.312) 8.657 5.954 ( 7.446 0.000 1.554) 7.606 6.023 ( 3.316 0.000 -7.078) 7.816 6.317 ( 11.170 0.000 -5.547) 12.471 6.503 ( -1.514 0.000 -0.679) 1.659 6.679 ( 0.933 0.000 6.294) 6.363 7.023 ( -4.598 0.000 3.467) 5.759 7.073 ( -5.338 0.000 3.592) 6.435 7.369 ( 5.858 0.000 -2.582) 6.402 7.594 ( -4.577 0.000 -0.672) 4.626 7.637 ( -15.388 0.000 -1.381) 15.450 7.974 ( -4.047 0.000 -11.998) 12.662 8.283 ( -4.075 0.000 -4.982) 6.436 8.397 ( -3.600 0.000 -6.295) 7.251 8.487 ( -2.132 0.000 2.847) 3.556 8.636 ( 0.422 0.000 -1.961) 2.006 8.754 ( 0.851 0.000 -3.266) 3.375 8.859 ( 7.215 0.000 1.739) 7.421 9.236 ( -4.464 0.000 -4.473) 6.320 9.328 ( -10.411 0.000 0.606) 10.428 9.464 ( -3.704 0.000 -3.428) 5.047 9.817 ( -14.155 0.000 1.693) 14.256 10.033 ( -16.702 0.000 -6.864) 18.058 11.240 ( 7.249 0.000 -1.174) 7.344 11.388 ( 8.057 0.000 -7.071) 10.720 11.482 ( 15.318 0.000 -1.359) 15.378 11.719 ( 10.000 0.000 -0.709) 10.025 12.811 ( 2.373 0.000 5.223) 5.737 13.713 ( -13.964 0.000 0.280) 13.966 14.040 ( 14.460 0.000 -0.852) 14.485 14.115 ( 17.786 0.000 0.231) 17.787 15.126 ( -13.351 0.000 0.000) 13.351 15.193 ( -14.194 0.000 -1.513) 14.275 17.211 ( -7.002 0.000 -2.191) 7.337 17.406 ( -7.813 0.000 0.306) 7.819 17.870 ( -0.200 0.000 -0.553) 0.588 17.992 ( -2.627 0.000 -2.242) 3.454 18.425 ( 14.161 0.000 -1.071) 14.201 19.102 ( -5.022 0.000 -1.507) 5.243 19.636 ( 17.594 0.000 0.295) 17.597 19.872 ( 15.567 0.000 -1.045) 15.602 20.992 ( -1.742 0.000 3.783) 4.165 21.231 ( -10.533 0.000 1.314) 10.614 23.968 ( 2.203 0.000 6.651) 7.006 24.022 ( 2.657 0.000 6.996) 7.484 24.845 ( 4.368 0.000 9.093) 10.088 25.472 ( -12.468 0.000 4.581) 13.283 25.935 ( 3.004 0.000 0.223) 3.012 25.994 ( 1.490 0.000 -2.262) 2.708 26.618 ( -1.737 0.000 -0.988) 1.998 26.671 ( -4.285 0.000 -1.526) 4.549 26.948 ( 7.277 0.000 0.172) 7.279 27.295 ( -1.244 0.000 0.370) 1.297 27.934 ( 24.750 0.000 -4.258) 25.114 29.060 ( -11.711 0.000 -3.868) 12.333 29.182 ( -3.975 0.000 -4.382) 5.916 29.356 ( -12.369 0.000 -0.896) 12.401 ======================= Grid point 199 (44/60) ======================= q-point: ( 0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.573 ( 9.714 0.000 2.404) 10.007 2.779 ( -8.622 0.000 7.612) 11.501 3.134 ( 2.264 0.000 -0.081) 2.265 3.205 ( -4.983 0.000 0.836) 5.052 3.514 ( 5.816 0.000 11.089) 12.522 3.612 ( -5.406 0.000 8.268) 9.878 3.934 ( 13.931 0.000 -5.620) 15.022 4.234 ( -13.116 0.000 -0.284) 13.120 4.608 ( 6.583 0.000 3.773) 7.588 4.641 ( 7.138 0.000 4.703) 8.548 4.909 ( -1.592 0.000 1.220) 2.005 4.975 ( -3.903 0.000 -2.882) 4.852 5.230 ( 6.465 0.000 -6.922) 9.471 5.360 ( -2.742 0.000 0.029) 2.742 5.522 ( 18.696 0.000 -11.767) 22.091 5.869 ( -12.533 0.000 -12.303) 17.562 6.069 ( 9.908 0.000 1.326) 9.996 6.141 ( 4.463 0.000 1.629) 4.751 6.430 ( -3.643 0.000 -4.937) 6.135 6.454 ( -2.267 0.000 -9.286) 9.558 6.725 ( 5.978 0.000 16.301) 17.363 6.921 ( -10.683 0.000 9.083) 14.022 7.020 ( 4.109 0.000 -2.357) 4.737 7.202 ( -15.442 0.000 -2.402) 15.627 7.492 ( 6.436 0.000 -3.047) 7.121 7.606 ( -4.432 0.000 -1.246) 4.604 8.018 ( 8.373 0.000 -11.021) 13.841 8.181 ( -7.060 0.000 -8.198) 10.819 8.351 ( -0.157 0.000 -5.646) 5.648 8.404 ( -5.146 0.000 -3.154) 6.036 8.721 ( 7.808 0.000 0.203) 7.810 8.782 ( 2.410 0.000 -1.482) 2.830 8.971 ( 1.249 0.000 5.979) 6.108 9.061 ( -11.386 0.000 1.506) 11.486 9.315 ( 7.874 0.000 -8.452) 11.551 9.473 ( 3.197 0.000 3.826) 4.986 9.573 ( -10.710 0.000 -0.664) 10.731 9.701 ( -15.006 0.000 -3.408) 15.388 11.329 ( 4.063 0.000 -4.693) 6.207 11.398 ( -2.870 0.000 -6.229) 6.858 11.751 ( 12.049 0.000 -0.712) 12.070 11.881 ( 0.368 0.000 -0.648) 0.745 13.008 ( 18.036 0.000 2.310) 18.184 13.386 ( -19.930 0.000 0.841) 19.947 14.357 ( 17.309 0.000 -1.416) 17.367 14.429 ( 13.163 0.000 -0.106) 13.164 14.863 ( -13.126 0.000 -0.810) 13.151 14.873 ( -16.637 0.000 -2.781) 16.868 17.174 ( 2.466 0.000 -1.126) 2.711 17.269 ( -6.725 0.000 -0.119) 6.726 17.879 ( 1.406 0.000 -0.926) 1.684 17.926 ( -3.471 0.000 -1.607) 3.825 18.698 ( 14.250 0.000 -1.226) 14.303 18.942 ( -11.245 0.000 -1.501) 11.345 19.963 ( 14.062 0.000 -0.417) 14.068 20.071 ( 3.535 0.000 -0.728) 3.609 20.966 ( -0.008 0.000 3.019) 3.019 21.039 ( -8.230 0.000 1.995) 8.469 24.011 ( 2.204 0.000 6.970) 7.310 24.040 ( -0.623 0.000 7.180) 7.207 24.992 ( 10.885 0.000 8.151) 13.598 25.226 ( -13.316 0.000 6.976) 15.033 25.983 ( 1.946 0.000 -0.388) 1.984 26.005 ( -0.301 0.000 -1.261) 1.297 26.596 ( -0.352 0.000 -1.444) 1.487 26.611 ( -2.002 0.000 -1.615) 2.572 27.099 ( 8.258 0.000 0.850) 8.302 27.233 ( -5.457 0.000 0.871) 5.526 28.391 ( 23.055 0.000 -4.706) 23.530 28.780 ( -18.058 0.000 -4.234) 18.547 29.128 ( -0.990 0.000 -3.914) 4.038 29.172 ( -6.218 0.000 -2.527) 6.712 ======================= Grid point 204 (45/60) ======================= q-point: ( 0.14 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( -3.003 -3.003 7.837) 8.914 2.758 ( -8.532 -8.532 10.154) 15.770 2.859 ( 19.521 19.521 17.790) 32.843 3.350 ( -9.357 -9.357 9.885) 16.517 3.421 ( -0.168 -0.168 -4.299) 4.305 3.850 ( -3.452 -3.452 -2.038) 5.291 3.941 ( -2.570 -2.570 -7.451) 8.290 4.126 ( 8.004 8.004 -4.937) 12.349 4.307 ( 11.336 11.336 4.851) 16.749 4.594 ( -3.396 -3.396 -3.781) 6.113 4.790 ( -1.017 -1.017 2.009) 2.470 5.071 ( 6.818 6.818 -1.682) 9.788 5.198 ( -1.752 -1.752 -2.577) 3.575 5.235 ( 4.009 4.009 -3.360) 6.591 5.453 ( 1.514 1.514 3.703) 4.277 5.693 ( 9.696 9.696 -10.138) 17.053 5.875 ( -1.468 -1.468 1.971) 2.862 6.044 ( 1.099 1.099 -4.500) 4.761 6.205 ( 4.402 4.402 -7.985) 10.125 6.472 ( 0.940 0.940 6.945) 7.071 6.769 ( 4.888 4.888 -3.161) 7.602 7.010 ( -4.640 -4.640 0.234) 6.566 7.148 ( -1.373 -1.373 2.602) 3.247 7.325 ( -0.515 -0.515 3.051) 3.137 7.533 ( 2.277 2.277 1.896) 3.737 7.906 ( -9.291 -9.291 -0.070) 13.139 7.991 ( -8.737 -8.737 -13.151) 18.045 8.316 ( -2.376 -2.376 -0.991) 3.503 8.362 ( -2.812 -2.812 -8.146) 9.065 8.549 ( 0.332 0.332 0.149) 0.493 8.603 ( 0.298 0.298 0.165) 0.453 8.732 ( 0.807 0.807 -1.473) 1.863 8.897 ( 6.004 6.004 -5.259) 9.988 9.124 ( -15.388 -15.388 -0.723) 21.774 9.460 ( -2.504 -2.504 -5.476) 6.521 9.772 ( 3.876 3.876 -3.708) 6.618 10.010 ( -10.282 -10.282 -1.597) 14.629 10.215 ( -6.322 -6.322 -4.992) 10.240 10.859 ( 3.195 3.195 2.360) 5.097 11.024 ( -10.224 -10.224 -2.755) 14.719 11.394 ( 22.858 22.858 -3.815) 32.551 12.013 ( 16.170 16.170 -1.735) 22.934 12.794 ( -4.000 -4.000 6.720) 8.784 13.734 ( 1.499 1.499 1.291) 2.482 13.922 ( -5.197 -5.197 -2.036) 7.626 13.947 ( 10.378 10.378 0.672) 14.693 15.258 ( -7.891 -7.891 0.158) 11.161 15.313 ( -6.826 -6.826 -0.214) 9.655 17.321 ( -9.835 -9.835 -1.286) 13.968 17.485 ( -3.749 -3.749 -2.545) 5.882 17.786 ( -7.158 -7.158 0.921) 10.164 18.124 ( -5.208 -5.208 -2.567) 7.800 18.207 ( 17.029 17.029 -1.410) 24.124 19.271 ( 14.270 14.270 0.006) 20.181 19.430 ( 1.484 1.484 -0.538) 2.166 19.654 ( 10.065 10.065 -0.976) 14.268 21.005 ( -1.213 -1.213 4.130) 4.472 21.344 ( -5.383 -5.383 1.118) 7.695 23.955 ( 1.661 1.661 6.690) 7.090 23.974 ( 2.144 2.144 6.528) 7.198 24.814 ( 0.045 0.045 9.920) 9.920 25.606 ( -7.690 -7.690 2.867) 11.247 25.885 ( 1.753 1.753 -0.374) 2.507 25.997 ( 3.330 3.330 -2.645) 5.401 26.629 ( -1.901 -1.901 -0.534) 2.741 26.731 ( -3.708 -3.708 -1.324) 5.408 26.877 ( 4.038 4.038 -0.509) 5.733 27.312 ( 1.022 1.022 -0.187) 1.457 27.643 ( 14.055 14.055 -2.705) 20.060 29.124 ( -8.031 -8.031 -3.681) 11.939 29.269 ( -0.634 -0.634 -4.399) 4.489 29.496 ( -8.341 -8.341 -0.509) 11.807 ======================= Grid point 205 (46/60) ======================= q-point: ( 0.29 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( 1.803 -17.449 0.732) 17.557 2.642 ( -2.234 -13.271 7.322) 15.321 3.006 ( -0.806 -3.110 10.713) 11.184 3.228 ( -4.620 -9.209 6.426) 12.143 3.572 ( 6.060 16.020 2.602) 17.325 3.799 ( -0.159 0.597 -7.968) 7.992 3.869 ( -0.194 5.902 2.709) 6.497 4.325 ( 9.815 1.589 -3.097) 10.414 4.423 ( 2.736 5.969 6.813) 9.462 4.541 ( 1.684 -1.058 -6.075) 6.393 4.842 ( 4.333 -4.107 7.700) 9.744 5.116 ( -1.256 0.533 -3.830) 4.066 5.176 ( 0.722 0.377 -3.386) 3.483 5.354 ( 4.855 9.370 4.112) 11.326 5.434 ( -1.233 5.766 -1.353) 6.050 5.858 ( 3.532 -1.854 -3.330) 5.196 5.913 ( 5.422 -2.355 -2.595) 6.456 6.098 ( 4.232 6.435 -7.809) 10.968 6.359 ( 12.258 3.892 -6.505) 14.412 6.508 ( 2.182 -2.826 0.798) 3.658 6.750 ( -5.042 8.698 0.173) 10.055 6.989 ( 0.163 -5.692 -0.662) 5.733 7.091 ( -2.754 3.309 4.411) 6.164 7.341 ( 2.225 -2.379 -0.494) 3.294 7.549 ( -5.928 -3.136 1.114) 6.798 7.642 ( -11.997 -0.491 -1.912) 12.159 7.908 ( -0.265 -5.887 -9.546) 11.219 8.260 ( -4.653 -4.761 -6.123) 9.045 8.284 ( -3.366 -8.631 -5.048) 10.550 8.466 ( -4.888 1.368 -2.586) 5.697 8.604 ( -4.677 -2.279 -4.524) 6.894 8.739 ( 0.840 -5.866 0.510) 5.948 8.927 ( -0.672 -0.631 1.992) 2.195 9.115 ( 9.861 7.201 1.179) 12.267 9.400 ( -2.895 0.136 -3.928) 4.881 9.676 ( -12.377 11.033 -1.019) 16.612 9.791 ( -9.081 2.027 -0.469) 9.316 10.056 ( -12.192 -1.976 -6.078) 13.765 10.732 ( 1.027 -37.424 -2.496) 37.521 11.169 ( 3.590 5.015 0.433) 6.183 11.870 ( 26.941 20.924 -5.641) 34.575 12.237 ( 8.634 31.735 -2.457) 32.981 12.758 ( 1.686 -4.002 5.255) 6.817 13.640 ( -13.420 -7.491 0.191) 15.370 13.976 ( 12.365 -3.707 -0.541) 12.920 14.169 ( 13.030 3.288 0.238) 13.440 15.057 ( -12.917 -7.056 -0.219) 14.720 15.102 ( -15.468 -9.561 -1.485) 18.245 17.175 ( -4.247 -2.908 -1.661) 5.409 17.396 ( -6.174 -0.831 -1.486) 6.404 17.693 ( -1.705 -11.817 -0.851) 11.970 17.973 ( -8.878 -7.432 -1.946) 11.741 18.566 ( 18.716 15.730 -0.993) 24.469 19.303 ( -6.207 16.449 -0.860) 17.602 19.690 ( 19.931 5.758 0.026) 20.746 19.902 ( 14.251 3.800 -0.866) 14.774 20.971 ( -2.285 -2.167 3.692) 4.852 21.198 ( -9.744 -3.712 1.301) 10.508 23.986 ( 1.830 1.851 6.893) 7.368 24.024 ( 2.312 0.295 6.998) 7.376 24.849 ( 4.409 0.698 8.973) 10.021 25.425 ( -11.130 -4.798 5.747) 13.414 25.938 ( 3.342 1.178 -0.673) 3.607 26.040 ( 1.068 3.423 -2.126) 4.168 26.592 ( -1.736 -2.352 -1.085) 3.118 26.655 ( -3.927 -1.871 -1.519) 4.608 26.986 ( 7.206 3.976 0.265) 8.234 27.315 ( -1.048 1.833 0.098) 2.114 27.977 ( 20.008 4.442 -3.579) 20.805 28.938 ( -11.716 -10.101 -3.320) 15.821 29.226 ( -3.528 1.940 -4.720) 6.204 29.310 ( -9.953 -4.354 -1.660) 10.990 ======================= Grid point 206 (47/60) ======================= q-point: ( 0.43 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( 9.758 -19.542 -1.566) 21.898 2.561 ( -9.105 -18.425 2.885) 20.754 3.020 ( 3.159 -10.193 1.684) 10.803 3.114 ( -6.534 -10.430 -1.839) 12.444 3.603 ( 3.358 6.630 6.952) 10.177 3.713 ( -6.644 8.909 7.576) 13.450 4.040 ( 11.780 8.101 0.394) 14.302 4.254 ( -9.930 2.256 3.233) 10.684 4.623 ( 8.735 -0.033 11.976) 14.824 4.660 ( 6.617 2.168 -2.090) 7.270 4.885 ( 2.488 -0.212 5.758) 6.276 5.017 ( -8.150 -1.707 -4.477) 9.454 5.263 ( 7.169 2.838 -2.761) 8.190 5.364 ( -1.806 -0.277 -1.670) 2.476 5.524 ( 10.188 5.919 -7.379) 13.902 5.774 ( -12.844 -4.942 -9.440) 16.689 6.051 ( 11.267 -0.053 0.303) 11.271 6.186 ( 0.869 3.594 -4.977) 6.200 6.463 ( 1.637 1.754 -2.759) 3.656 6.586 ( -5.034 10.084 -7.852) 13.737 6.702 ( 8.629 -0.826 5.108) 10.061 6.914 ( -9.505 -0.336 1.535) 9.634 7.104 ( 4.860 7.086 2.145) 8.856 7.267 ( -12.821 5.601 -0.194) 13.992 7.434 ( 7.141 -5.448 -1.134) 9.054 7.562 ( -4.833 -4.043 -0.118) 6.303 7.978 ( 7.017 -4.368 -8.614) 11.938 8.125 ( -7.976 -5.420 -6.474) 11.615 8.301 ( 4.119 -7.288 -4.407) 9.461 8.397 ( -4.233 -0.912 -5.032) 6.639 8.536 ( 1.189 -5.422 -7.007) 8.939 8.660 ( -8.379 -10.172 -1.308) 13.243 9.011 ( 7.264 1.128 2.811) 7.870 9.157 ( -6.417 2.604 3.400) 7.715 9.437 ( 5.967 7.299 0.213) 9.430 9.512 ( -2.683 3.046 3.461) 5.334 9.677 ( -1.450 11.459 -2.381) 11.793 9.809 ( -12.318 5.551 -5.520) 14.595 10.875 ( 11.184 -27.044 -3.008) 29.419 11.086 ( -9.842 -9.117 -1.100) 13.461 12.263 ( 11.849 30.444 -4.051) 32.919 12.346 ( 1.773 33.977 -2.640) 34.125 12.926 ( 17.328 -7.920 2.475) 19.212 13.312 ( -20.530 -7.913 0.685) 22.013 14.275 ( 17.567 -7.273 -1.087) 19.044 14.411 ( 9.793 -2.610 -0.245) 10.138 14.769 ( -15.405 -9.833 -2.112) 18.397 14.806 ( -13.479 -6.573 -1.106) 15.037 17.171 ( 3.297 -0.112 -1.264) 3.532 17.271 ( -6.613 0.207 -0.876) 6.674 17.714 ( 3.496 -12.668 -1.808) 13.265 17.817 ( -7.254 -10.812 -1.922) 13.161 18.888 ( 15.351 17.191 -0.828) 23.062 19.138 ( -11.156 16.898 -0.856) 20.267 20.021 ( 12.998 6.013 -0.453) 14.328 20.103 ( 4.740 3.445 -0.624) 5.893 20.938 ( -0.170 -3.020 2.980) 4.246 21.013 ( -8.311 -2.926 1.953) 9.025 24.022 ( 1.763 1.130 7.124) 7.425 24.044 ( -0.281 0.381 7.251) 7.267 24.987 ( 10.007 -0.389 8.387) 13.063 25.202 ( -12.187 -2.465 7.576) 14.560 25.998 ( 2.835 1.794 -1.090) 3.527 26.037 ( -1.222 2.810 -1.578) 3.447 26.574 ( -0.006 -2.115 -1.392) 2.532 26.595 ( -2.255 -1.710 -1.533) 3.219 27.132 ( 7.836 3.371 0.750) 8.563 27.259 ( -5.102 2.539 0.649) 5.736 28.353 ( 19.244 -3.767 -3.533) 19.925 28.682 ( -15.594 -9.067 -3.175) 18.316 29.161 ( -2.390 2.065 -4.432) 5.442 29.172 ( -3.945 0.456 -3.822) 5.512 ======================= Grid point 212 (48/60) ======================= q-point: ( 0.29 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( -8.683 -8.683 -5.794) 13.578 2.417 ( -9.957 -9.957 1.942) 14.214 2.876 ( -8.378 -8.378 2.491) 12.107 3.051 ( -9.171 -9.171 1.283) 13.034 3.680 ( -2.161 -2.161 -1.180) 3.276 3.977 ( 11.427 11.427 6.907) 17.574 3.980 ( 3.948 3.948 1.772) 5.857 4.333 ( 2.687 2.687 7.736) 8.619 4.442 ( -3.252 -3.252 -0.909) 4.688 4.587 ( 6.721 6.721 0.955) 9.553 4.869 ( 5.033 5.033 11.929) 13.891 5.069 ( -6.730 -6.730 -3.708) 10.214 5.109 ( -1.570 -1.570 2.087) 3.047 5.523 ( 5.514 5.514 5.867) 9.759 5.632 ( 8.815 8.815 2.598) 12.734 5.838 ( 0.764 0.764 -6.605) 6.693 5.909 ( 2.697 2.697 -3.676) 5.297 6.247 ( 7.380 7.380 -16.491) 19.516 6.444 ( 7.700 7.700 -7.094) 12.996 6.468 ( -0.335 -0.335 -1.832) 1.893 6.855 ( -1.161 -1.161 -1.900) 2.511 6.899 ( -0.900 -0.900 -5.141) 5.296 7.155 ( 2.894 2.894 3.997) 5.721 7.310 ( 0.069 0.069 1.263) 1.267 7.484 ( -4.770 -4.770 2.454) 7.178 7.602 ( -4.608 -4.608 -2.601) 7.017 7.817 ( -1.648 -1.648 -6.105) 6.535 8.135 ( -4.214 -4.214 -3.336) 6.830 8.154 ( -7.472 -7.472 -7.298) 12.842 8.483 ( -0.659 -0.659 -6.230) 6.299 8.518 ( -6.886 -6.886 -1.647) 9.877 8.675 ( -0.862 -0.862 -4.221) 4.394 8.894 ( 0.381 0.381 -1.957) 2.030 9.218 ( -1.637 -1.637 4.862) 5.385 9.465 ( 6.932 6.932 0.304) 9.808 9.674 ( -5.888 -5.888 1.885) 8.537 9.764 ( -8.218 -8.218 -3.018) 12.008 10.059 ( -21.385 -21.385 -1.842) 30.298 10.265 ( 16.989 16.989 -4.069) 24.368 11.432 ( 11.125 11.125 1.753) 15.830 12.126 ( 9.926 9.926 -4.995) 14.900 12.733 ( 19.879 19.879 -3.087) 28.282 12.782 ( 7.982 7.982 2.762) 11.621 13.436 ( -14.402 -14.402 -0.314) 20.370 13.964 ( 3.624 3.624 -0.375) 5.139 14.234 ( 4.477 4.477 0.329) 6.340 14.846 ( -16.942 -16.942 -1.683) 24.019 14.877 ( -11.760 -11.760 -0.624) 16.643 17.141 ( -0.038 -0.038 -1.618) 1.619 17.374 ( -2.454 -2.454 -3.329) 4.809 17.506 ( -6.505 -6.505 -0.775) 9.232 17.785 ( -10.819 -10.819 -2.258) 15.466 18.914 ( 19.035 19.035 -0.596) 26.925 19.510 ( 2.465 2.465 -0.166) 3.489 19.893 ( 16.088 16.088 -0.539) 22.758 20.033 ( 9.647 9.647 -0.466) 13.650 20.913 ( -3.781 -3.781 3.403) 6.338 21.088 ( -7.838 -7.838 1.373) 11.170 24.025 ( 1.782 1.782 7.411) 7.827 24.037 ( 1.158 1.158 7.079) 7.266 24.884 ( 3.399 3.399 8.854) 10.075 25.302 ( -7.955 -7.955 7.609) 13.582 25.982 ( 3.199 3.199 -1.586) 4.794 26.089 ( 1.413 1.413 -2.458) 3.168 26.549 ( -1.861 -1.861 -1.208) 2.896 26.606 ( -2.978 -2.978 -1.470) 4.461 27.088 ( 6.536 6.536 0.471) 9.255 27.344 ( 0.557 0.557 -0.157) 0.803 28.095 ( 7.903 7.903 -2.114) 11.375 28.722 ( -12.393 -12.393 -2.485) 17.702 29.209 ( -3.629 -3.629 -3.408) 6.161 29.243 ( -1.812 -1.812 -5.398) 5.976 ======================= Grid point 213 (49/60) ======================= q-point: ( 0.43 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( 8.628 -16.382 -7.979) 20.161 2.218 ( -12.778 -16.444 -3.998) 21.206 2.781 ( -0.059 -13.690 -4.576) 14.435 2.872 ( -8.602 -14.434 -5.696) 17.742 3.707 ( 6.037 5.127 6.443) 10.210 3.880 ( -10.606 8.380 7.399) 15.409 4.154 ( 9.199 2.809 7.293) 12.071 4.317 ( -7.118 3.431 6.115) 9.991 4.554 ( 13.156 -6.287 8.934) 17.100 4.708 ( 2.254 2.783 7.870) 8.646 4.867 ( -4.317 -5.123 10.824) 12.730 4.906 ( -6.366 -8.395 3.943) 11.249 5.234 ( 11.789 3.041 -5.653) 13.423 5.455 ( -10.064 4.726 -2.854) 11.479 5.749 ( 4.322 13.778 0.400) 14.445 5.821 ( -3.199 7.474 -4.491) 9.288 6.083 ( 13.473 4.663 -4.670) 15.003 6.284 ( -5.653 8.034 -14.858) 17.812 6.509 ( 9.179 4.072 -5.958) 11.676 6.693 ( 13.535 0.383 -4.390) 14.235 6.734 ( -10.511 4.066 -5.453) 12.520 6.894 ( -4.271 -2.881 -5.335) 7.417 7.196 ( 4.347 -0.010 2.097) 4.827 7.340 ( -7.432 -0.464 1.850) 7.673 7.370 ( 3.842 0.860 1.271) 4.137 7.488 ( -6.531 -1.582 -1.487) 6.882 7.865 ( 5.659 -6.815 -3.160) 9.405 8.001 ( -8.319 -7.242 -3.275) 11.506 8.151 ( 6.289 -5.367 -4.716) 9.518 8.334 ( -11.083 -6.141 -4.879) 13.577 8.514 ( 3.517 2.727 -8.317) 9.432 8.611 ( -5.710 3.340 -5.658) 8.704 8.971 ( 6.997 -4.504 -0.835) 8.363 9.118 ( -7.613 -5.501 1.603) 9.529 9.525 ( -1.546 -0.487 3.573) 3.923 9.559 ( -2.302 1.260 4.663) 5.350 9.695 ( -0.910 -11.621 -3.116) 12.066 9.745 ( -7.228 -9.327 -2.083) 11.982 10.763 ( 29.409 18.584 -0.933) 34.802 11.280 ( -22.939 25.832 0.955) 34.560 12.504 ( 26.966 -13.745 -1.089) 30.287 12.885 ( -4.436 11.517 0.973) 12.380 12.987 ( 7.497 24.860 -3.252) 26.169 13.124 ( -14.417 -4.254 -2.246) 15.198 14.131 ( 13.593 -6.923 -0.868) 15.279 14.339 ( 2.386 -4.188 -0.203) 4.824 14.527 ( -11.344 -14.978 -1.761) 18.871 14.639 ( -12.713 -10.712 -0.801) 16.643 17.180 ( 4.038 1.356 -1.804) 4.626 17.279 ( -6.109 0.931 -2.251) 6.576 17.488 ( 3.330 -10.535 -2.393) 11.305 17.600 ( -8.317 -10.997 -2.635) 14.037 19.234 ( 14.416 17.628 -0.294) 22.774 19.445 ( -7.866 13.380 -0.167) 15.521 20.173 ( 10.283 9.468 -0.571) 13.989 20.205 ( 6.229 7.612 -0.388) 9.844 20.854 ( -1.030 -5.679 2.863) 6.442 20.926 ( -8.043 -6.313 1.873) 10.395 24.049 ( 0.946 1.601 7.500) 7.727 24.056 ( 0.381 0.912 7.494) 7.559 24.984 ( 7.138 0.234 8.894) 11.407 25.140 ( -8.949 -3.985 8.670) 13.082 26.044 ( 3.100 2.778 -2.282) 4.748 26.088 ( -1.378 2.169 -2.590) 3.648 26.531 ( 0.169 -2.004 -1.270) 2.379 26.555 ( -2.196 -2.268 -1.347) 3.432 27.216 ( 6.633 5.226 0.545) 8.462 27.317 ( -3.595 3.176 0.200) 4.801 28.269 ( 10.553 -4.394 -1.279) 11.503 28.486 ( -12.369 -10.861 -1.635) 16.542 29.170 ( 0.047 0.387 -5.180) 5.195 29.201 ( -2.533 0.938 -5.917) 6.504 ======================= Grid point 220 (50/60) ======================= q-point: ( 0.43 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( 0.417 0.417 -11.320) 11.335 1.958 ( -11.316 -11.316 -9.199) 18.459 2.581 ( -5.325 -5.325 -10.742) 13.119 2.627 ( -9.545 -9.545 -10.917) 17.360 3.834 ( 8.754 8.754 9.831) 15.809 3.985 ( -2.461 -2.461 13.619) 14.057 4.155 ( 3.718 3.718 2.269) 5.726 4.302 ( -6.566 -6.566 5.041) 10.566 4.528 ( 4.405 4.405 8.298) 10.376 4.658 ( -8.942 -8.942 1.943) 12.794 4.767 ( 1.177 1.177 23.129) 23.189 4.812 ( -3.501 -3.501 23.396) 23.914 5.379 ( 9.624 9.624 -9.739) 16.736 5.505 ( -1.699 -1.699 -7.295) 7.681 5.875 ( 2.292 2.292 -8.642) 9.230 5.907 ( 0.382 0.382 -6.583) 6.605 6.286 ( 13.682 13.682 2.067) 19.459 6.438 ( 1.623 1.623 -9.455) 9.730 6.637 ( 8.562 8.562 -18.561) 22.161 6.704 ( 5.068 5.068 1.236) 7.273 6.762 ( -3.116 -3.116 -12.515) 13.268 6.820 ( -3.283 -3.283 1.079) 4.766 7.136 ( -3.232 -3.232 -2.580) 5.249 7.209 ( -9.581 -9.581 1.690) 13.654 7.438 ( 4.070 4.070 -3.513) 6.743 7.492 ( -1.097 -1.097 -6.745) 6.921 7.788 ( 0.465 0.465 4.209) 4.260 7.867 ( -6.575 -6.575 1.939) 9.498 8.133 ( 2.956 2.956 -5.679) 7.052 8.222 ( -5.573 -5.573 -5.875) 9.831 8.604 ( 5.804 5.804 -7.051) 10.821 8.675 ( 0.533 0.533 -4.278) 4.344 8.899 ( -0.298 -0.298 -3.099) 3.127 8.988 ( -7.406 -7.406 -0.696) 10.496 9.385 ( -7.345 -7.345 -1.364) 10.476 9.402 ( -9.005 -9.005 -0.729) 12.756 9.657 ( 1.680 1.680 4.595) 5.173 9.668 ( 0.104 0.104 4.268) 4.271 11.302 ( 32.491 32.491 0.811) 45.957 11.731 ( 4.280 4.280 2.138) 6.419 12.193 ( -0.954 -0.954 0.147) 1.358 12.595 ( -26.353 -26.353 1.677) 37.307 13.379 ( 13.552 13.552 -4.943) 19.792 13.396 ( 13.183 13.183 -4.504) 19.180 14.060 ( 1.264 1.264 -0.940) 2.020 14.224 ( -13.489 -13.489 -1.537) 19.139 14.317 ( 0.645 0.645 0.051) 0.914 14.432 ( -10.065 -10.065 -0.460) 14.242 17.226 ( 3.631 3.631 -2.492) 5.707 17.305 ( -1.026 -1.026 -3.961) 4.218 17.340 ( -2.152 -2.152 -1.646) 3.460 17.425 ( -7.414 -7.414 -2.908) 10.880 19.500 ( 9.911 9.911 0.028) 14.016 19.586 ( 1.231 1.231 0.095) 1.743 20.341 ( 7.475 7.475 -0.420) 10.580 20.363 ( 6.349 6.349 -0.691) 9.006 20.749 ( -3.776 -3.776 2.749) 6.006 20.790 ( -7.010 -7.010 2.072) 10.127 24.073 ( 0.671 0.671 7.756) 7.814 24.073 ( 0.672 0.672 7.851) 7.908 25.005 ( 2.120 2.120 9.308) 9.779 25.063 ( -3.877 -3.877 9.316) 10.810 26.090 ( 1.889 1.889 -3.249) 4.206 26.109 ( -0.012 -0.012 -3.363) 3.363 26.508 ( -0.330 -0.330 -1.160) 1.250 26.519 ( -1.369 -1.369 -1.180) 2.267 27.311 ( 4.248 4.248 0.258) 6.013 27.354 ( 0.056 0.056 0.000) 0.079 28.224 ( 0.589 0.589 -0.018) 0.833 28.305 ( -7.658 -7.658 -0.397) 10.838 29.184 ( 0.987 0.987 -6.330) 6.482 29.201 ( -0.666 -0.666 -6.488) 6.556 ======================= Grid point 245 (51/60) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.421 ( 0.000 0.000 0.000) 0.000 2.421 ( 0.000 0.000 0.000) 0.000 3.098 ( 0.000 0.000 0.000) 0.000 3.702 ( 0.000 0.000 0.000) 0.000 3.702 ( 0.000 0.000 0.000) 0.000 3.822 ( 0.000 0.000 0.000) 0.000 3.917 ( 0.000 0.000 0.000) 0.000 3.931 ( 0.000 0.000 0.000) 0.000 3.931 ( 0.000 0.000 0.000) 0.000 4.787 ( 0.000 0.000 0.000) 0.000 4.799 ( 0.000 0.000 0.000) 0.000 4.799 ( 0.000 0.000 0.000) 0.000 5.109 ( 0.000 0.000 0.000) 0.000 5.109 ( 0.000 0.000 0.000) 0.000 5.127 ( 0.000 0.000 0.000) 0.000 5.512 ( 0.000 0.000 0.000) 0.000 5.993 ( 0.000 0.000 0.000) 0.000 6.068 ( 0.000 0.000 0.000) 0.000 6.068 ( 0.000 0.000 0.000) 0.000 6.560 ( 0.000 0.000 0.000) 0.000 6.726 ( 0.000 0.000 0.000) 0.000 7.132 ( 0.000 0.000 0.000) 0.000 7.132 ( 0.000 0.000 0.000) 0.000 7.459 ( 0.000 0.000 0.000) 0.000 7.669 ( 0.000 0.000 0.000) 0.000 7.703 ( 0.000 0.000 0.000) 0.000 8.115 ( 0.000 0.000 0.000) 0.000 8.310 ( 0.000 0.000 0.000) 0.000 8.310 ( 0.000 0.000 0.000) 0.000 8.535 ( 0.000 0.000 0.000) 0.000 8.626 ( 0.000 0.000 0.000) 0.000 8.626 ( 0.000 0.000 0.000) 0.000 8.843 ( 0.000 0.000 0.000) 0.000 9.445 ( 0.000 0.000 0.000) 0.000 9.633 ( 0.000 0.000 0.000) 0.000 9.633 ( 0.000 0.000 0.000) 0.000 10.310 ( 0.000 0.000 0.000) 0.000 10.376 ( 0.000 0.000 0.000) 0.000 10.376 ( 0.000 0.000 0.000) 0.000 10.837 ( 0.000 0.000 0.000) 0.000 11.326 ( 0.000 0.000 0.000) 0.000 11.804 ( 0.000 0.000 0.000) 0.000 12.972 ( 0.000 0.000 0.000) 0.000 13.670 ( 0.000 0.000 0.000) 0.000 13.670 ( 0.000 0.000 0.000) 0.000 14.031 ( 0.000 0.000 0.000) 0.000 15.423 ( 0.000 0.000 0.000) 0.000 15.423 ( 0.000 0.000 0.000) 0.000 17.675 ( 0.000 0.000 0.000) 0.000 17.675 ( 0.000 0.000 0.000) 0.000 17.706 ( 0.000 0.000 0.000) 0.000 17.916 ( 0.000 0.000 0.000) 0.000 18.093 ( 0.000 0.000 0.000) 0.000 19.023 ( 0.000 0.000 0.000) 0.000 19.396 ( 0.000 0.000 0.000) 0.000 19.396 ( 0.000 0.000 0.000) 0.000 21.068 ( 0.000 0.000 0.000) 0.000 21.465 ( 0.000 0.000 0.000) 0.000 23.984 ( 0.000 0.000 0.000) 0.000 23.984 ( 0.000 0.000 0.000) 0.000 24.952 ( 0.000 0.000 0.000) 0.000 25.787 ( 0.000 0.000 0.000) 0.000 25.853 ( 0.000 0.000 0.000) 0.000 25.853 ( 0.000 0.000 0.000) 0.000 26.670 ( 0.000 0.000 0.000) 0.000 26.787 ( 0.000 0.000 0.000) 0.000 26.833 ( 0.000 0.000 0.000) 0.000 27.286 ( 0.000 0.000 0.000) 0.000 27.286 ( 0.000 0.000 0.000) 0.000 29.240 ( 0.000 0.000 0.000) 0.000 29.240 ( 0.000 0.000 0.000) 0.000 29.676 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 247 (52/60) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.524 ( 6.998 0.000 0.000) 6.998 2.617 ( 17.792 0.000 0.000) 17.792 3.032 ( -2.634 0.000 0.000) 2.634 3.423 ( -13.155 0.000 0.000) 13.155 3.654 ( -6.309 0.000 0.000) 6.309 3.826 ( -8.707 0.000 0.000) 8.707 3.948 ( 0.300 0.000 0.000) 0.300 3.993 ( 8.754 0.000 0.000) 8.754 4.069 ( 12.536 0.000 0.000) 12.536 4.605 ( -8.635 0.000 0.000) 8.635 4.843 ( 4.642 0.000 0.000) 4.642 4.985 ( 6.734 0.000 0.000) 6.734 5.095 ( 2.709 0.000 0.000) 2.709 5.147 ( 4.788 0.000 0.000) 4.788 5.427 ( 23.756 0.000 0.000) 23.756 5.486 ( -2.603 0.000 0.000) 2.603 5.951 ( -1.354 0.000 0.000) 1.354 5.970 ( -7.863 0.000 0.000) 7.863 6.151 ( 5.763 0.000 0.000) 5.763 6.569 ( -1.052 0.000 0.000) 1.052 6.717 ( -0.011 0.000 0.000) 0.011 7.109 ( -0.689 0.000 0.000) 0.689 7.168 ( 3.335 0.000 0.000) 3.335 7.479 ( -6.372 0.000 0.000) 6.372 7.581 ( -0.394 0.000 0.000) 0.394 7.677 ( -1.758 0.000 -0.000) 1.758 7.998 ( -12.104 0.000 0.000) 12.104 8.327 ( -0.901 0.000 0.000) 0.901 8.381 ( 0.873 0.000 0.000) 0.873 8.503 ( 3.825 0.000 0.000) 3.825 8.623 ( 0.353 0.000 0.000) 0.353 8.695 ( 5.066 0.000 0.000) 5.066 8.765 ( -7.373 0.000 0.000) 7.373 9.383 ( -13.219 0.000 0.000) 13.219 9.455 ( -3.699 0.000 0.000) 3.699 9.546 ( -8.605 0.000 0.000) 8.605 10.131 ( -17.668 0.000 0.000) 17.668 10.183 ( -7.002 0.000 0.000) 7.002 10.838 ( 31.693 0.000 0.000) 31.693 11.070 ( 16.511 0.000 0.000) 16.511 11.317 ( 0.331 0.000 0.000) 0.331 11.723 ( -6.514 0.000 0.000) 6.514 12.918 ( -4.479 0.000 0.000) 4.479 13.783 ( 10.709 0.000 0.000) 10.709 13.793 ( 10.948 0.000 0.000) 10.948 13.960 ( -6.280 0.000 0.000) 6.280 15.340 ( -8.472 0.000 0.000) 8.472 15.373 ( -5.890 0.000 0.000) 5.890 17.404 ( -15.023 0.000 0.000) 15.023 17.564 ( -8.417 0.000 0.000) 8.417 17.852 ( 3.075 0.000 0.000) 3.075 17.974 ( 2.632 0.000 0.000) 2.632 18.177 ( 9.629 0.000 0.000) 9.629 19.088 ( 4.716 0.000 0.000) 4.716 19.422 ( 4.590 0.000 0.000) 4.590 19.552 ( 14.753 0.000 0.000) 14.753 21.059 ( -1.006 0.000 0.000) 1.006 21.406 ( -6.189 0.000 0.000) 6.189 23.998 ( 1.431 0.000 0.000) 1.431 24.023 ( 3.681 0.000 0.000) 3.681 24.927 ( -1.648 0.000 0.000) 1.648 25.690 ( -7.719 0.000 0.000) 7.719 25.887 ( 3.071 0.000 0.000) 3.071 25.908 ( 3.379 0.000 0.000) 3.379 26.650 ( -1.918 0.000 0.000) 1.918 26.755 ( -5.730 0.000 0.000) 5.730 26.832 ( 4.348 0.000 0.000) 4.348 27.295 ( 0.775 0.000 0.000) 0.775 27.482 ( 18.206 0.000 0.000) 18.206 29.185 ( -5.813 0.000 0.000) 5.813 29.209 ( -3.079 0.000 0.000) 3.079 29.577 ( -9.919 0.000 0.000) 9.919 ======================= Grid point 249 (53/60) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.533 ( -2.390 0.000 0.000) 2.390 2.918 ( 9.927 0.000 0.000) 9.927 3.120 ( 3.368 0.000 0.000) 3.368 3.379 ( 14.612 0.000 0.000) 14.612 3.442 ( -15.663 0.000 0.000) 15.663 3.653 ( -7.162 0.000 0.000) 7.162 3.891 ( -5.881 0.000 0.000) 5.881 4.300 ( 12.463 0.000 0.000) 12.463 4.327 ( 24.160 0.000 0.000) 24.160 4.468 ( -4.250 0.000 0.000) 4.250 4.920 ( 2.625 0.000 0.000) 2.625 5.028 ( -0.728 0.000 0.000) 0.728 5.188 ( -4.809 0.000 0.000) 4.809 5.197 ( 7.313 0.000 -0.000) 7.313 5.429 ( -2.474 0.000 0.000) 2.474 5.792 ( 6.795 0.000 0.000) 6.795 5.907 ( 4.091 0.000 0.000) 4.091 6.016 ( 10.063 0.000 0.000) 10.063 6.259 ( 6.420 0.000 0.000) 6.420 6.497 ( -5.742 0.000 0.000) 5.742 6.765 ( 5.699 0.000 0.000) 5.699 7.111 ( -0.636 0.000 0.000) 0.636 7.248 ( 5.167 0.000 -0.000) 5.167 7.254 ( -12.295 0.000 0.000) 12.295 7.590 ( -18.551 0.000 0.000) 18.551 7.637 ( 1.348 0.000 0.000) 1.348 7.741 ( -1.789 0.000 0.000) 1.789 8.241 ( -7.049 0.000 0.000) 7.049 8.330 ( -3.402 0.000 0.000) 3.402 8.562 ( -9.396 0.000 0.000) 9.396 8.617 ( 5.411 0.000 -0.000) 5.411 8.673 ( 0.684 0.000 0.000) 0.684 8.878 ( 14.814 0.000 0.000) 14.814 9.178 ( -6.814 0.000 0.000) 6.814 9.337 ( -13.121 0.000 0.000) 13.121 9.439 ( 0.964 0.000 0.000) 0.964 9.846 ( -11.826 0.000 0.000) 11.826 9.953 ( -17.788 0.000 0.000) 17.788 11.243 ( 2.225 0.000 0.000) 2.225 11.304 ( 10.742 0.000 0.000) 10.742 11.470 ( 15.294 0.000 0.000) 15.294 11.712 ( 9.878 0.000 0.000) 9.878 12.865 ( 0.946 0.000 0.000) 0.946 13.717 ( -14.280 0.000 0.000) 14.280 14.031 ( 15.197 0.000 0.000) 15.197 14.118 ( 17.247 0.000 0.000) 17.247 15.126 ( -13.640 0.000 0.000) 13.640 15.177 ( -15.160 0.000 0.000) 15.160 17.190 ( -6.582 0.000 0.000) 6.582 17.410 ( -7.839 0.000 0.000) 7.839 17.864 ( -0.203 0.000 0.000) 0.203 17.970 ( -2.588 0.000 0.000) 2.588 18.415 ( 14.320 0.000 0.000) 14.320 19.087 ( -5.216 0.000 0.000) 5.216 19.640 ( 17.254 0.000 0.000) 17.254 19.861 ( 15.770 0.000 0.000) 15.770 21.029 ( -2.082 0.000 0.000) 2.082 21.245 ( -10.331 0.000 0.000) 10.331 24.035 ( 2.370 0.000 0.000) 2.370 24.093 ( 2.886 0.000 0.000) 2.886 24.936 ( 3.608 0.000 0.000) 3.608 25.515 ( -10.790 0.000 0.000) 10.790 25.945 ( 2.714 0.000 0.000) 2.714 25.961 ( 2.181 0.000 0.000) 2.181 26.609 ( -2.096 0.000 0.000) 2.096 26.656 ( -4.396 0.000 0.000) 4.396 26.949 ( 7.798 0.000 0.000) 7.798 27.299 ( -0.955 0.000 0.000) 0.955 27.892 ( 24.023 0.000 0.000) 24.023 29.021 ( -11.825 0.000 0.000) 11.825 29.138 ( -3.919 0.000 0.000) 3.919 29.347 ( -12.976 0.000 0.000) 12.976 ======================= Grid point 251 (54/60) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.600 ( 10.663 0.000 0.000) 10.663 2.876 ( -14.215 0.000 0.000) 14.215 3.133 ( 1.378 0.000 -0.000) 1.378 3.199 ( -6.674 0.000 0.000) 6.674 3.613 ( 2.935 0.000 0.000) 2.935 3.706 ( -1.399 0.000 0.000) 1.399 3.870 ( 19.554 0.000 0.000) 19.554 4.253 ( -15.220 0.000 0.000) 15.220 4.534 ( 12.344 0.000 0.000) 12.344 4.732 ( -2.742 0.000 0.000) 2.742 4.957 ( 2.095 0.000 0.000) 2.095 5.012 ( -2.877 0.000 0.000) 2.877 5.180 ( 22.166 0.000 -0.000) 22.166 5.323 ( 5.111 0.000 0.000) 5.111 5.399 ( -1.031 0.000 0.000) 1.031 5.674 ( -17.936 0.000 0.000) 17.936 6.085 ( 11.405 0.000 0.000) 11.405 6.168 ( 4.143 0.000 0.000) 4.143 6.356 ( 0.704 0.000 0.000) 0.704 6.388 ( -5.018 0.000 0.000) 5.018 6.912 ( 8.585 0.000 0.000) 8.585 7.033 ( -5.869 0.000 0.000) 5.869 7.090 ( -5.787 0.000 0.000) 5.787 7.133 ( -14.942 0.000 0.000) 14.942 7.432 ( 8.309 0.000 0.000) 8.309 7.586 ( -6.452 0.000 0.000) 6.452 7.881 ( 12.196 0.000 0.000) 12.196 8.094 ( -8.993 0.000 0.000) 8.993 8.292 ( 0.194 0.000 0.000) 0.194 8.375 ( -8.739 0.000 0.000) 8.739 8.742 ( 7.433 0.000 -0.000) 7.433 8.747 ( 6.340 0.000 0.000) 6.340 9.047 ( -7.600 0.000 0.000) 7.600 9.070 ( -10.081 0.000 0.000) 10.081 9.209 ( 16.463 0.000 -0.000) 16.463 9.515 ( 6.074 0.000 0.000) 6.074 9.572 ( -20.011 0.000 0.000) 20.011 9.666 ( -8.389 0.000 0.000) 8.389 11.282 ( 2.493 0.000 0.000) 2.493 11.332 ( -2.317 0.000 0.000) 2.317 11.744 ( 12.375 0.000 0.000) 12.375 11.875 ( 0.655 0.000 0.000) 0.655 13.031 ( 16.732 0.000 0.000) 16.732 13.395 ( -19.428 0.000 0.000) 19.428 14.343 ( 17.062 0.000 0.000) 17.062 14.428 ( 12.975 0.000 0.000) 12.975 14.846 ( -16.658 0.000 0.000) 16.658 14.856 ( -13.764 0.000 0.000) 13.764 17.164 ( 3.099 0.000 0.000) 3.099 17.268 ( -7.099 0.000 0.000) 7.099 17.870 ( 1.078 0.000 0.000) 1.078 17.910 ( -3.061 0.000 0.000) 3.061 18.686 ( 14.077 0.000 0.000) 14.077 18.927 ( -11.128 0.000 0.000) 11.128 19.959 ( 13.741 0.000 0.000) 13.741 20.063 ( 3.670 0.000 0.000) 3.670 20.996 ( -0.481 0.000 0.000) 0.481 21.060 ( -7.725 0.000 0.000) 7.725 24.081 ( 2.373 0.000 0.000) 2.373 24.113 ( -0.657 0.000 0.000) 0.657 25.072 ( 10.351 0.000 0.000) 10.351 25.293 ( -12.387 0.000 0.000) 12.387 25.982 ( 1.171 0.000 0.000) 1.171 25.988 ( 0.578 0.000 0.000) 0.578 26.582 ( -0.508 0.000 0.000) 0.508 26.596 ( -1.975 0.000 0.000) 1.975 27.108 ( 8.463 0.000 0.000) 8.463 27.242 ( -5.268 0.000 0.000) 5.268 28.343 ( 23.116 0.000 0.000) 23.116 28.737 ( -18.318 0.000 0.000) 18.318 29.089 ( -0.478 0.000 0.000) 0.478 29.148 ( -7.143 0.000 0.000) 7.143 ======================= Grid point 261 (55/60) ======================= q-point: ( 0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( -6.503 -6.503 0.000) 9.197 2.889 ( -10.454 -10.454 0.000) 14.784 3.057 ( 25.111 25.111 0.000) 35.512 3.363 ( -6.482 -6.482 0.000) 9.167 3.443 ( -10.003 -10.003 0.000) 14.146 3.775 ( -4.769 -4.769 0.000) 6.744 3.908 ( 0.417 0.417 0.000) 0.590 4.050 ( 7.126 7.126 0.000) 10.077 4.349 ( 12.231 12.231 0.000) 17.297 4.557 ( -5.040 -5.040 0.000) 7.128 4.834 ( 2.688 2.688 0.000) 3.802 5.035 ( 2.562 2.562 0.000) 3.623 5.172 ( 4.764 4.764 0.000) 6.737 5.240 ( 10.495 10.495 0.000) 14.842 5.440 ( -4.043 -4.043 0.000) 5.718 5.566 ( 14.404 14.404 0.000) 20.370 5.879 ( -4.362 -4.362 0.000) 6.169 6.026 ( -1.133 -1.133 0.000) 1.602 6.120 ( 3.158 3.158 0.000) 4.466 6.594 ( -0.767 -0.767 0.000) 1.085 6.737 ( 2.842 2.842 0.000) 4.019 7.016 ( -5.170 -5.170 0.000) 7.311 7.232 ( 3.462 3.462 0.000) 4.896 7.457 ( -7.450 -7.450 0.000) 10.536 7.553 ( 2.376 2.376 0.000) 3.360 7.666 ( -0.543 -0.543 -0.000) 0.769 7.904 ( -9.799 -9.799 0.000) 13.857 8.279 ( -6.342 -6.342 0.000) 8.969 8.304 ( -3.216 -3.216 0.000) 4.548 8.605 ( -0.405 -0.405 0.000) 0.572 8.616 ( 1.943 1.943 0.000) 2.748 8.676 ( -4.012 -4.012 0.000) 5.674 8.829 ( 11.983 11.983 0.000) 16.946 9.116 ( -14.429 -14.429 0.000) 20.406 9.412 ( -1.749 -1.749 0.000) 2.474 9.734 ( 4.475 4.475 0.000) 6.328 9.995 ( -9.910 -9.910 0.000) 14.015 10.168 ( -7.159 -7.159 0.000) 10.124 10.888 ( 0.661 0.661 0.000) 0.935 10.990 ( -7.494 -7.494 0.000) 10.598 11.359 ( 21.179 21.179 0.000) 29.952 11.996 ( 15.656 15.656 0.000) 22.141 12.863 ( -4.497 -4.497 0.000) 6.360 13.749 ( 1.616 1.616 0.000) 2.286 13.897 ( -5.017 -5.017 0.000) 7.095 13.954 ( 10.294 10.294 0.000) 14.558 15.259 ( -8.116 -8.116 0.000) 11.478 15.311 ( -7.250 -7.250 0.000) 10.253 17.308 ( -9.961 -9.961 0.000) 14.087 17.460 ( -3.929 -3.929 0.000) 5.556 17.797 ( -7.767 -7.767 0.000) 10.985 18.098 ( -4.657 -4.657 0.000) 6.586 18.194 ( 17.251 17.251 0.000) 24.396 19.271 ( 14.110 14.110 0.000) 19.955 19.425 ( 1.574 1.574 0.000) 2.226 19.644 ( 10.094 10.094 0.000) 14.275 21.046 ( -1.376 -1.376 0.000) 1.945 21.355 ( -5.348 -5.348 0.000) 7.564 24.022 ( 1.840 1.840 0.000) 2.602 24.040 ( 2.266 2.266 0.000) 3.204 24.915 ( -0.600 -0.600 0.000) 0.849 25.633 ( -5.984 -5.984 0.000) 8.462 25.881 ( 1.539 1.539 0.000) 2.176 25.968 ( 3.523 3.523 0.000) 4.982 26.624 ( -2.268 -2.268 0.000) 3.207 26.718 ( -3.792 -3.792 0.000) 5.363 26.872 ( 4.491 4.491 0.000) 6.352 27.310 ( 1.010 1.010 0.000) 1.429 27.617 ( 13.491 13.491 0.000) 19.080 29.087 ( -7.846 -7.846 0.000) 11.096 29.224 ( -0.834 -0.834 0.000) 1.179 29.491 ( -8.605 -8.605 0.000) 12.170 ======================= Grid point 263 (56/60) ======================= q-point: ( 0.29 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( -1.020 -20.943 0.000) 20.968 2.735 ( -4.158 -16.128 0.000) 16.656 3.112 ( -7.234 -7.208 0.000) 10.212 3.264 ( -11.845 -12.410 0.000) 17.155 3.635 ( 17.638 19.995 0.000) 26.663 3.692 ( 1.407 5.178 0.000) 5.366 3.914 ( 0.455 3.575 0.000) 3.604 4.265 ( 14.308 4.024 0.000) 14.863 4.459 ( -4.022 -0.754 0.000) 4.093 4.518 ( 10.557 4.821 0.000) 11.605 4.927 ( 5.350 -0.781 0.000) 5.406 5.047 ( -2.296 1.469 0.000) 2.726 5.235 ( 1.573 15.575 -0.000) 15.654 5.351 ( -1.945 -0.646 0.000) 2.049 5.407 ( 1.311 8.318 0.000) 8.421 5.800 ( 3.613 0.304 0.000) 3.626 5.858 ( 3.681 -3.791 0.000) 5.284 6.040 ( 6.011 0.674 0.000) 6.049 6.268 ( 12.023 2.364 0.000) 12.254 6.534 ( -4.697 -0.618 0.000) 4.738 6.768 ( 1.171 3.114 0.000) 3.327 6.980 ( -0.642 -10.306 0.000) 10.326 7.242 ( -4.323 0.800 0.000) 4.396 7.334 ( -0.635 3.318 0.000) 3.379 7.567 ( -10.801 -2.623 0.000) 11.115 7.619 ( -4.962 -0.546 0.000) 4.991 7.727 ( 1.589 -1.581 0.000) 2.242 8.167 ( -4.909 -6.810 0.000) 8.395 8.252 ( -1.959 -9.960 0.000) 10.151 8.475 ( -6.408 2.119 0.000) 6.749 8.530 ( -9.122 -3.386 0.000) 9.731 8.745 ( 2.475 -7.952 0.000) 8.329 8.950 ( -0.227 -5.897 0.000) 5.901 9.116 ( 13.585 18.156 0.000) 22.676 9.365 ( -2.907 -1.430 0.000) 3.240 9.664 ( -10.228 13.024 0.000) 16.560 9.793 ( -8.301 -0.909 0.000) 8.351 9.993 ( -12.474 -1.011 0.000) 12.514 10.706 ( -0.295 -37.542 0.000) 37.544 11.174 ( 3.209 6.543 0.000) 7.288 11.817 ( 26.852 19.548 0.000) 33.214 12.212 ( 8.394 31.353 0.000) 32.457 12.812 ( 0.565 -4.154 0.000) 4.192 13.642 ( -13.573 -7.655 0.000) 15.583 13.970 ( 12.671 -3.526 0.000) 13.152 14.171 ( 12.705 3.399 0.000) 13.152 15.055 ( -13.066 -7.273 0.000) 14.954 15.087 ( -16.309 -9.575 0.000) 18.912 17.159 ( -4.194 -2.657 0.000) 4.965 17.382 ( -5.442 -2.195 0.000) 5.868 17.686 ( -2.624 -11.704 0.000) 11.994 17.954 ( -8.763 -7.538 0.000) 11.559 18.556 ( 18.885 15.907 0.000) 24.692 19.295 ( -6.271 16.951 0.000) 18.074 19.691 ( 19.741 5.425 0.000) 20.473 19.893 ( 14.386 4.009 0.000) 14.934 21.008 ( -2.590 -2.269 0.000) 3.444 21.211 ( -9.562 -3.714 0.000) 10.258 24.056 ( 1.944 2.085 0.000) 2.851 24.095 ( 2.562 0.304 0.000) 2.580 24.939 ( 3.914 0.571 0.000) 3.956 25.480 ( -9.843 -3.722 0.000) 10.523 25.931 ( 3.169 0.538 0.000) 3.214 26.016 ( 1.419 3.373 0.000) 3.659 26.581 ( -1.961 -2.425 0.000) 3.119 26.640 ( -3.983 -1.853 0.000) 4.393 26.989 ( 7.582 4.067 0.000) 8.604 27.316 ( -0.767 1.608 0.000) 1.781 27.941 ( 19.713 5.057 0.000) 20.352 28.904 ( -11.550 -9.667 0.000) 15.061 29.178 ( -3.635 1.730 0.000) 4.025 29.295 ( -10.838 -5.140 0.000) 11.995 ======================= Grid point 265 (57/60) ======================= q-point: ( 0.43 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( 10.809 -23.004 0.000) 25.417 2.601 ( -13.088 -22.676 0.000) 26.182 3.028 ( -0.988 -12.979 0.000) 13.016 3.072 ( -6.006 -10.659 0.000) 12.235 3.688 ( 4.189 5.533 0.000) 6.939 3.797 ( -5.324 7.601 0.000) 9.280 4.054 ( 15.221 14.121 0.000) 20.762 4.300 ( -9.335 4.628 0.000) 10.419 4.576 ( 12.678 3.923 0.000) 13.271 4.754 ( 1.094 0.952 0.000) 1.450 4.974 ( 2.955 4.348 0.000) 5.257 5.025 ( 3.475 -6.395 0.000) 7.278 5.240 ( 3.856 7.292 -0.000) 8.248 5.348 ( -0.667 2.142 0.000) 2.243 5.410 ( 2.895 5.125 0.000) 5.886 5.630 ( -17.244 1.299 0.000) 17.293 6.054 ( 12.508 -3.479 0.000) 12.983 6.147 ( 2.978 -2.210 0.000) 3.709 6.422 ( 0.615 4.045 0.000) 4.091 6.487 ( -0.857 8.217 0.000) 8.261 6.795 ( 2.667 -7.136 0.000) 7.618 6.914 ( -6.410 -6.641 0.000) 9.230 7.178 ( -0.117 5.827 0.000) 5.829 7.273 ( -10.628 7.808 0.000) 13.187 7.420 ( 7.671 -1.196 0.000) 7.764 7.560 ( -5.434 -2.710 0.000) 6.073 7.864 ( 10.750 -1.392 0.000) 10.840 8.056 ( -8.059 -3.928 0.000) 8.965 8.254 ( 2.221 -6.138 0.000) 6.527 8.355 ( -8.438 -2.242 0.000) 8.731 8.453 ( 5.695 -8.530 0.000) 10.257 8.644 ( -11.309 -12.948 0.000) 17.192 9.038 ( 7.527 -0.818 0.000) 7.571 9.194 ( -7.220 1.616 0.000) 7.399 9.430 ( 11.218 15.845 0.000) 19.414 9.553 ( 0.164 3.106 0.000) 3.110 9.670 ( -5.416 8.253 0.000) 9.872 9.742 ( -12.202 5.146 0.000) 13.243 10.843 ( 11.819 -25.943 0.000) 28.509 11.073 ( -11.046 -7.185 0.000) 13.178 12.223 ( 13.053 29.351 0.000) 32.122 12.319 ( 1.615 33.378 0.000) 33.417 12.952 ( 15.717 -7.728 0.000) 17.514 13.319 ( -20.025 -8.129 0.000) 21.612 14.264 ( 17.227 -7.120 0.000) 18.640 14.408 ( 9.496 -2.608 0.000) 9.848 14.748 ( -15.555 -9.724 0.000) 18.345 14.796 ( -13.634 -6.391 0.000) 15.058 17.159 ( 3.620 -0.300 0.000) 3.633 17.263 ( -6.614 -0.480 0.000) 6.631 17.696 ( 3.274 -13.109 0.000) 13.512 17.798 ( -7.281 -11.219 0.000) 13.374 18.880 ( 15.367 17.504 0.000) 23.292 19.129 ( -11.119 17.352 0.000) 20.609 20.016 ( 12.771 5.965 0.000) 14.095 20.096 ( 4.824 3.551 0.000) 5.990 20.967 ( -0.629 -3.064 0.000) 3.128 21.033 ( -7.808 -2.966 0.000) 8.352 24.093 ( 1.890 1.279 0.000) 2.282 24.117 ( -0.273 0.456 0.000) 0.532 25.070 ( 9.664 -0.139 0.000) 9.665 25.276 ( -11.501 -1.862 0.000) 11.651 25.987 ( 2.545 1.167 0.000) 2.800 26.020 ( -0.897 2.398 0.000) 2.561 26.560 ( -0.112 -2.053 0.000) 2.056 26.580 ( -2.217 -1.617 0.000) 2.744 27.140 ( 7.961 3.272 0.000) 8.608 27.265 ( -4.867 2.322 0.000) 5.392 28.317 ( 19.430 -2.680 0.000) 19.614 28.650 ( -15.686 -8.201 0.000) 17.700 29.116 ( -2.051 1.940 0.000) 2.823 29.137 ( -4.926 -0.981 0.000) 5.023 ======================= Grid point 277 (58/60) ======================= q-point: ( 0.29 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( -11.410 -11.410 0.000) 16.137 2.444 ( -13.561 -13.561 0.000) 19.178 2.892 ( -12.795 -12.795 0.000) 18.096 3.035 ( -13.245 -13.245 0.000) 18.732 3.700 ( 1.888 1.888 0.000) 2.670 3.984 ( 4.135 4.135 0.000) 5.848 4.071 ( 15.416 15.416 0.000) 21.802 4.407 ( 8.557 8.557 0.000) 12.101 4.448 ( -0.759 -0.759 0.000) 1.073 4.554 ( 6.210 6.210 0.000) 8.782 4.970 ( 6.040 6.040 -0.000) 8.542 5.021 ( -4.835 -4.835 0.000) 6.838 5.280 ( -3.344 -3.344 -0.000) 4.729 5.576 ( 11.146 11.146 0.000) 15.763 5.589 ( 2.461 2.461 0.000) 3.480 5.749 ( 0.812 0.812 0.000) 1.148 5.867 ( 3.709 3.709 0.000) 5.246 6.057 ( 2.197 2.197 0.000) 3.108 6.360 ( 9.753 9.753 0.000) 13.793 6.457 ( -5.434 -5.434 0.000) 7.685 6.837 ( -0.775 -0.775 0.000) 1.096 6.842 ( -1.221 -1.221 0.000) 1.727 7.236 ( -1.085 -1.085 0.000) 1.535 7.364 ( 0.256 0.256 0.000) 0.361 7.508 ( -4.294 -4.294 0.000) 6.073 7.580 ( -5.226 -5.226 0.000) 7.391 7.727 ( 3.543 3.543 0.000) 5.010 8.047 ( -4.697 -4.697 0.000) 6.642 8.101 ( -4.643 -4.643 0.000) 6.566 8.435 ( -3.998 -3.998 0.000) 5.654 8.499 ( -8.176 -8.176 0.000) 11.563 8.625 ( -0.617 -0.617 0.000) 0.872 8.872 ( -0.553 -0.553 0.000) 0.782 9.266 ( -4.783 -4.783 0.000) 6.764 9.475 ( 12.225 12.225 0.000) 17.288 9.696 ( -4.403 -4.403 0.000) 6.227 9.730 ( -8.783 -8.783 0.000) 12.421 10.040 ( -21.535 -21.535 0.000) 30.455 10.221 ( 18.506 18.506 0.000) 26.171 11.450 ( 11.298 11.298 0.000) 15.978 12.074 ( 11.658 11.658 0.000) 16.487 12.702 ( 19.555 19.555 0.000) 27.655 12.814 ( 5.984 5.984 0.000) 8.462 13.433 ( -14.819 -14.819 0.000) 20.957 13.960 ( 3.573 3.573 0.000) 5.054 14.238 ( 4.386 4.386 0.000) 6.203 14.828 ( -17.167 -17.167 0.000) 24.278 14.870 ( -11.902 -11.902 0.000) 16.832 17.126 ( -0.124 -0.124 0.000) 0.176 17.341 ( -2.651 -2.651 0.000) 3.750 17.499 ( -6.876 -6.876 0.000) 9.725 17.763 ( -11.015 -11.015 0.000) 15.577 18.909 ( 19.235 19.235 0.000) 27.202 19.508 ( 2.559 2.559 0.000) 3.620 19.888 ( 15.993 15.993 0.000) 22.618 20.028 ( 9.803 9.803 0.000) 13.864 20.947 ( -3.989 -3.989 0.000) 5.641 21.102 ( -7.732 -7.732 0.000) 10.935 24.099 ( 1.952 1.952 0.000) 2.760 24.108 ( 1.324 1.324 0.000) 1.872 24.972 ( 3.368 3.368 0.000) 4.763 25.377 ( -7.103 -7.103 0.000) 10.045 25.965 ( 2.738 2.738 0.000) 3.872 26.063 ( 1.270 1.270 0.000) 1.795 26.537 ( -1.901 -1.901 0.000) 2.689 26.592 ( -2.912 -2.912 0.000) 4.118 27.093 ( 6.645 6.645 0.000) 9.397 27.342 ( 0.588 0.588 0.000) 0.831 28.073 ( 8.611 8.611 0.000) 12.178 28.697 ( -11.920 -11.920 0.000) 16.857 29.173 ( -3.068 -3.068 0.000) 4.339 29.191 ( -3.825 -3.825 0.000) 5.409 ======================= Grid point 279 (59/60) ======================= q-point: ( 0.43 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( 9.360 -19.621 0.000) 21.740 2.180 ( -16.121 -20.228 0.000) 25.866 2.726 ( -2.656 -17.198 0.000) 17.402 2.802 ( -9.602 -17.165 0.000) 19.668 3.790 ( 7.690 6.131 0.000) 9.835 3.954 ( -7.765 9.422 0.000) 12.209 4.248 ( 8.492 3.811 0.000) 9.308 4.390 ( -5.456 3.475 0.000) 6.469 4.610 ( 11.336 -2.960 0.000) 11.716 4.779 ( 3.437 4.348 0.000) 5.542 4.901 ( 4.657 -4.487 0.000) 6.467 5.124 ( 4.548 8.070 0.000) 9.263 5.197 ( -4.778 -1.723 -0.000) 5.079 5.355 ( -14.650 1.068 0.000) 14.689 5.744 ( 4.125 13.493 0.000) 14.109 5.791 ( -1.273 9.274 0.000) 9.361 5.984 ( 9.211 4.769 0.000) 10.372 6.115 ( -1.236 0.997 0.000) 1.588 6.430 ( 8.290 -1.887 0.000) 8.502 6.618 ( 9.239 4.819 0.000) 10.420 6.722 ( -7.515 -1.725 0.000) 7.711 6.839 ( -3.859 -1.158 0.000) 4.030 7.233 ( 3.574 -1.483 0.000) 3.869 7.360 ( -4.899 0.962 0.000) 4.992 7.405 ( -0.501 0.083 0.000) 0.508 7.476 ( -5.184 -6.483 0.000) 8.301 7.840 ( 7.388 -0.906 0.000) 7.444 7.969 ( -5.343 -4.405 0.000) 6.925 8.103 ( 5.224 -5.948 0.000) 7.916 8.280 ( -12.269 -6.289 0.000) 13.786 8.422 ( 3.312 2.205 0.000) 3.979 8.545 ( -7.881 3.179 0.000) 8.498 8.963 ( 8.635 -6.281 0.000) 10.678 9.135 ( -8.699 -6.542 0.000) 10.885 9.563 ( -2.387 -5.969 0.000) 6.429 9.611 ( -1.548 0.614 0.000) 1.665 9.660 ( -0.525 -6.953 0.000) 6.973 9.724 ( -6.543 -4.907 0.000) 8.178 10.752 ( 30.897 19.714 0.000) 36.651 11.289 ( -23.635 26.450 0.000) 35.471 12.489 ( 28.559 -10.832 0.000) 30.545 12.892 ( -4.181 18.369 0.000) 18.839 12.958 ( 7.356 19.513 0.000) 20.853 13.104 ( -15.958 -9.629 0.000) 18.638 14.122 ( 13.227 -6.910 0.000) 14.923 14.337 ( 1.509 -4.228 0.000) 4.489 14.509 ( -10.623 -14.668 0.000) 18.111 14.631 ( -12.740 -10.628 0.000) 16.591 17.163 ( 3.932 0.997 0.000) 4.056 17.258 ( -5.586 0.160 0.000) 5.588 17.465 ( 2.764 -10.590 0.000) 10.945 17.575 ( -8.444 -11.255 0.000) 14.071 19.231 ( 14.525 17.858 0.000) 23.019 19.444 ( -7.897 13.635 0.000) 15.757 20.168 ( 10.297 9.428 0.000) 13.961 20.200 ( 6.158 7.686 0.000) 9.849 20.883 ( -1.430 -5.752 0.000) 5.928 20.945 ( -7.591 -6.333 0.000) 9.886 24.124 ( 1.010 1.797 0.000) 2.061 24.132 ( 0.468 1.083 0.000) 1.180 25.072 ( 7.128 0.538 0.000) 7.148 25.225 ( -8.624 -3.419 0.000) 9.277 26.020 ( 2.806 2.099 0.000) 3.504 26.061 ( -1.331 1.595 0.000) 2.078 26.519 ( 0.154 -1.919 0.000) 1.925 26.542 ( -2.138 -2.144 0.000) 3.027 27.222 ( 6.570 5.097 0.000) 8.315 27.319 ( -3.324 2.958 0.000) 4.450 28.255 ( 10.677 -3.296 0.000) 11.174 28.470 ( -11.995 -10.077 0.000) 15.666 29.119 ( -0.807 -0.531 0.000) 0.966 29.141 ( -2.451 0.466 0.000) 2.495 ======================= Grid point 293 (60/60) ======================= q-point: ( 0.43 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 0.186 0.186 0.000) 0.263 1.864 ( -13.542 -13.542 0.000) 19.151 2.467 ( -7.383 -7.383 0.000) 10.441 2.510 ( -11.130 -11.130 0.000) 15.740 3.945 ( 10.348 10.348 0.000) 14.635 4.148 ( -2.373 -2.373 0.000) 3.356 4.171 ( 4.072 4.072 0.000) 5.759 4.371 ( -7.075 -7.075 0.000) 10.005 4.592 ( 2.096 2.096 0.000) 2.964 4.676 ( -7.613 -7.613 0.000) 10.766 5.070 ( 13.982 13.982 0.000) 19.773 5.196 ( -1.081 -1.081 -0.000) 1.528 5.235 ( 5.986 5.986 0.000) 8.465 5.410 ( -3.809 -3.809 0.000) 5.386 5.648 ( -0.548 -0.548 0.000) 0.774 5.809 ( -9.634 -9.634 0.000) 13.625 6.297 ( 10.614 10.614 0.000) 15.010 6.305 ( 13.903 13.903 0.000) 19.662 6.442 ( 6.931 6.931 0.000) 9.802 6.663 ( -7.311 -7.311 0.000) 10.339 6.707 ( 7.763 7.763 0.000) 10.979 6.837 ( -1.537 -1.537 0.000) 2.174 7.128 ( -4.495 -4.495 0.000) 6.357 7.250 ( -12.813 -12.813 0.000) 18.121 7.395 ( 1.302 1.302 0.000) 1.841 7.417 ( -1.012 -1.012 0.000) 1.431 7.849 ( 2.008 2.008 0.000) 2.839 7.901 ( -3.189 -3.189 0.000) 4.510 8.074 ( 2.422 2.422 0.000) 3.426 8.159 ( -5.895 -5.895 0.000) 8.337 8.522 ( 7.550 7.550 0.000) 10.678 8.624 ( 0.338 0.338 0.000) 0.477 8.866 ( -0.208 -0.208 0.000) 0.295 8.981 ( -8.940 -8.940 0.000) 12.644 9.371 ( -7.142 -7.142 0.000) 10.100 9.394 ( -9.481 -9.481 0.000) 13.409 9.705 ( 2.101 2.101 0.000) 2.971 9.713 ( 0.938 0.938 0.000) 1.327 11.310 ( 33.309 33.309 0.000) 47.106 11.753 ( 4.331 4.331 0.000) 6.125 12.194 ( -0.478 -0.478 0.000) 0.675 12.612 ( -27.026 -27.026 0.000) 38.220 13.329 ( 13.504 13.504 0.000) 19.097 13.350 ( 12.702 12.702 0.000) 17.963 14.050 ( 1.123 1.123 0.000) 1.588 14.208 ( -13.235 -13.235 0.000) 18.717 14.318 ( 0.600 0.600 0.000) 0.848 14.428 ( -9.772 -9.772 0.000) 13.819 17.202 ( 3.190 3.190 0.000) 4.512 17.267 ( -1.119 -1.119 0.000) 1.583 17.324 ( -2.229 -2.229 0.000) 3.152 17.397 ( -7.324 -7.324 0.000) 10.357 19.501 ( 10.015 10.015 0.000) 14.163 19.587 ( 1.270 1.270 0.000) 1.796 20.337 ( 7.392 7.392 0.000) 10.454 20.357 ( 6.218 6.218 0.000) 8.794 20.776 ( -3.886 -3.886 0.000) 5.496 20.811 ( -6.701 -6.701 0.000) 9.477 24.150 ( 0.810 0.810 0.000) 1.145 24.152 ( 0.729 0.729 0.000) 1.031 25.097 ( 2.272 2.272 0.000) 3.213 25.156 ( -3.697 -3.697 0.000) 5.228 26.056 ( 1.553 1.553 0.000) 2.197 26.074 ( -0.227 -0.227 0.000) 0.321 26.498 ( -0.289 -0.289 0.000) 0.408 26.508 ( -1.313 -1.313 0.000) 1.857 27.314 ( 4.070 4.070 0.000) 5.756 27.354 ( 0.094 0.094 0.000) 0.132 28.224 ( 0.811 0.811 0.000) 1.147 28.301 ( -7.153 -7.153 0.000) 10.116 29.120 ( 0.613 0.613 0.000) 0.867 29.136 ( -0.800 -0.800 0.000) 1.131 =================== 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 3/35280 10.0 1704.701 1704.701 1881.177 -0.000 0.000 0.000 3/35280 20.0 329.951 329.951 377.941 -0.000 0.000 0.000 3/35280 30.0 111.972 111.972 134.096 0.000 -0.000 0.000 3/35280 40.0 54.401 54.401 64.456 0.000 -0.000 0.000 3/35280 50.0 32.186 32.186 37.622 0.000 -0.000 0.000 3/35280 60.0 21.625 21.625 24.924 0.000 -0.000 0.000 3/35280 70.0 15.877 15.877 18.036 0.000 -0.000 0.000 3/35280 80.0 12.427 12.427 13.907 0.000 -0.000 0.000 3/35280 90.0 10.200 10.200 11.235 0.000 -0.000 0.000 3/35280 100.0 8.677 8.677 9.397 0.000 -0.000 0.000 3/35280 110.0 7.585 7.585 8.071 0.000 -0.000 0.000 3/35280 120.0 6.771 6.771 7.076 0.000 -0.000 0.000 3/35280 130.0 6.144 6.144 6.305 0.000 -0.000 0.000 3/35280 140.0 5.646 5.646 5.692 0.000 -0.000 0.000 3/35280 150.0 5.241 5.241 5.193 0.000 -0.000 0.000 3/35280 160.0 4.905 4.905 4.781 0.000 -0.000 0.000 3/35280 170.0 4.620 4.620 4.434 0.000 -0.000 0.000 3/35280 180.0 4.375 4.375 4.139 0.000 -0.000 0.000 3/35280 190.0 4.162 4.162 3.885 0.000 -0.000 0.000 3/35280 200.0 3.973 3.973 3.664 0.000 -0.000 0.000 3/35280 210.0 3.805 3.805 3.470 0.000 -0.000 0.000 3/35280 220.0 3.653 3.653 3.298 0.000 -0.000 0.000 3/35280 230.0 3.516 3.516 3.145 0.000 -0.000 0.000 3/35280 240.0 3.391 3.391 3.008 0.000 -0.000 0.000 3/35280 250.0 3.276 3.276 2.884 0.000 -0.000 0.000 3/35280 260.0 3.169 3.169 2.771 0.000 -0.000 0.000 3/35280 270.0 3.071 3.071 2.668 0.000 -0.000 0.000 3/35280 280.0 2.979 2.979 2.574 0.000 -0.000 0.000 3/35280 290.0 2.893 2.893 2.487 0.000 -0.000 0.000 3/35280 300.0 2.813 2.813 2.406 0.000 -0.000 0.000 3/35280 310.0 2.737 2.737 2.332 0.000 -0.000 0.000 3/35280 320.0 2.666 2.666 2.262 0.000 -0.000 0.000 3/35280 330.0 2.599 2.599 2.197 0.000 -0.000 0.000 3/35280 340.0 2.535 2.535 2.136 0.000 -0.000 0.000 3/35280 350.0 2.474 2.474 2.079 0.000 0.000 0.000 3/35280 360.0 2.416 2.416 2.025 0.000 0.000 0.000 3/35280 370.0 2.361 2.361 1.974 0.000 0.000 0.000 3/35280 380.0 2.309 2.309 1.926 0.000 0.000 0.000 3/35280 390.0 2.259 2.259 1.880 0.000 0.000 0.000 3/35280 400.0 2.211 2.211 1.837 0.000 0.000 0.000 3/35280 410.0 2.165 2.165 1.795 0.000 0.000 0.000 3/35280 420.0 2.121 2.121 1.756 0.000 0.000 0.000 3/35280 430.0 2.079 2.079 1.718 0.000 0.000 0.000 3/35280 440.0 2.038 2.038 1.682 0.000 0.000 0.000 3/35280 450.0 1.999 1.999 1.648 0.000 0.000 0.000 3/35280 460.0 1.962 1.962 1.615 0.000 0.000 0.000 3/35280 470.0 1.925 1.925 1.583 0.000 0.000 0.000 3/35280 480.0 1.891 1.891 1.553 0.000 0.000 0.000 3/35280 490.0 1.857 1.857 1.524 0.000 0.000 0.000 3/35280 500.0 1.824 1.824 1.496 0.000 0.000 0.000 3/35280 510.0 1.793 1.793 1.469 0.000 0.000 0.000 3/35280 520.0 1.763 1.763 1.442 0.000 0.000 0.000 3/35280 530.0 1.733 1.733 1.417 0.000 0.000 0.000 3/35280 540.0 1.705 1.705 1.393 0.000 0.000 0.000 3/35280 550.0 1.677 1.677 1.370 0.000 0.000 0.000 3/35280 560.0 1.651 1.651 1.347 0.000 0.000 0.000 3/35280 570.0 1.625 1.625 1.325 0.000 0.000 0.000 3/35280 580.0 1.600 1.600 1.304 0.000 0.000 0.000 3/35280 590.0 1.575 1.575 1.283 0.000 0.000 0.000 3/35280 600.0 1.552 1.552 1.263 0.000 0.000 0.000 3/35280 610.0 1.529 1.529 1.244 0.000 0.000 0.000 3/35280 620.0 1.507 1.507 1.225 0.000 0.000 0.000 3/35280 630.0 1.485 1.485 1.207 0.000 0.000 0.000 3/35280 640.0 1.464 1.464 1.189 0.000 0.000 0.000 3/35280 650.0 1.443 1.443 1.172 0.000 0.000 0.000 3/35280 660.0 1.423 1.423 1.156 0.000 0.000 0.000 3/35280 670.0 1.404 1.404 1.139 0.000 0.000 0.000 3/35280 680.0 1.385 1.385 1.124 0.000 0.000 0.000 3/35280 690.0 1.367 1.367 1.108 0.000 0.000 0.000 3/35280 700.0 1.349 1.349 1.094 0.000 0.000 0.000 3/35280 710.0 1.331 1.331 1.079 0.000 0.000 0.000 3/35280 720.0 1.314 1.314 1.065 0.000 0.000 0.000 3/35280 730.0 1.298 1.298 1.051 0.000 0.000 0.000 3/35280 740.0 1.281 1.281 1.038 0.000 0.000 0.000 3/35280 750.0 1.266 1.266 1.025 0.000 0.000 0.000 3/35280 760.0 1.250 1.250 1.012 0.000 0.000 0.000 3/35280 770.0 1.235 1.235 0.999 0.000 0.000 0.000 3/35280 780.0 1.220 1.220 0.987 0.000 0.000 0.000 3/35280 790.0 1.206 1.206 0.975 0.000 0.000 0.000 3/35280 800.0 1.192 1.192 0.964 0.000 0.000 0.000 3/35280 810.0 1.178 1.178 0.952 0.000 0.000 0.000 3/35280 820.0 1.165 1.165 0.941 0.000 0.000 0.000 3/35280 830.0 1.151 1.151 0.931 0.000 0.000 0.000 3/35280 840.0 1.139 1.139 0.920 0.000 0.000 0.000 3/35280 850.0 1.126 1.126 0.910 0.000 0.000 0.000 3/35280 860.0 1.114 1.114 0.899 0.000 0.000 0.000 3/35280 870.0 1.102 1.102 0.890 0.000 0.000 0.000 3/35280 880.0 1.090 1.090 0.880 0.000 0.000 0.000 3/35280 890.0 1.078 1.078 0.870 0.000 0.000 0.000 3/35280 900.0 1.067 1.067 0.861 0.000 0.000 0.000 3/35280 910.0 1.056 1.056 0.852 0.000 0.000 0.000 3/35280 920.0 1.045 1.045 0.843 0.000 0.000 0.000 3/35280 930.0 1.034 1.034 0.835 0.000 0.000 0.000 3/35280 940.0 1.024 1.024 0.826 0.000 0.000 0.000 3/35280 950.0 1.014 1.014 0.818 0.000 0.000 0.000 3/35280 960.0 1.004 1.004 0.809 0.000 0.000 0.000 3/35280 970.0 0.994 0.994 0.801 0.000 0.000 0.000 3/35280 980.0 0.984 0.984 0.794 0.000 0.000 0.000 3/35280 990.0 0.975 0.975 0.786 0.000 0.000 0.000 3/35280 1000.0 0.965 0.965 0.778 0.000 0.000 0.000 3/35280 Thermal conductivity related properties were written into "kappa-m7710.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 15:12:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|