----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 01:09:33]------------------------- 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: [2 1 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.754078444624459 0.000000000000000 0.000000000000000 b 0.000000000000000 10.339574469999999 0.000000000000000 c -3.064641079229057 0.000000000000000 7.831891442192372 Atomic positions (fractional): *1 Sr 0.77560253092560 0.97589806889629 0.73216341914006 87.620 2 Sr 0.77560253092560 0.52410193110371 0.73216341914006 87.620 3 Sr 0.22439746907440 0.47589806889629 0.26783658085994 87.620 4 Sr 0.22439746907440 0.02410193110371 0.26783658085994 87.620 *5 La 0.27274608963672 0.75000000000000 0.71780660573064 138.905 6 La 0.72725391036328 0.25000000000000 0.28219339426936 138.905 *7 Cl 0.88587376058240 0.75000000000000 0.57621571065620 35.453 *8 Cl 0.62300118385470 0.00330663224434 0.35745339859196 35.453 9 Cl 0.62300118385470 0.49669336775566 0.35745339859196 35.453 *10 Cl 0.16756229273271 0.92368933316440 0.93027538602006 35.453 11 Cl 0.16756229273271 0.57631066683560 0.93027538602006 35.453 *12 Cl 0.80220789725344 0.25000000000000 0.64152949000209 35.453 *13 Cl 0.33950062687154 0.25000000000000 0.11841854068943 35.453 14 Cl 0.66049937312846 0.75000000000000 0.88158145931057 35.453 15 Cl 0.19779210274656 0.75000000000000 0.35847050999791 35.453 16 Cl 0.83243770726729 0.42368933316439 0.06972461397994 35.453 17 Cl 0.83243770726729 0.07631066683561 0.06972461397994 35.453 18 Cl 0.37699881614530 0.50330663224434 0.64254660140804 35.453 19 Cl 0.37699881614530 0.99669336775566 0.64254660140804 35.453 20 Cl 0.11412623941760 0.25000000000000 0.42378428934380 35.453 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.754078444624459 0.000000000000000 0.000000000000000 b 0.000000000000000 10.339574469999999 0.000000000000000 c -3.064641079229057 0.000000000000000 7.831891442192372 Atomic positions (fractional): *1 Sr 0.77560253092560 0.97589806889629 0.73216341914006 87.620 > 1 2 Sr 0.77560253092560 0.52410193110371 0.73216341914006 87.620 > 2 3 Sr 0.22439746907440 0.47589806889629 0.26783658085994 87.620 > 3 4 Sr 0.22439746907440 0.02410193110371 0.26783658085994 87.620 > 4 *5 La 0.27274608963672 0.75000000000000 0.71780660573064 138.905 > 5 6 La 0.72725391036328 0.25000000000000 0.28219339426936 138.905 > 6 *7 Cl 0.88587376058240 0.75000000000000 0.57621571065620 35.453 > 7 *8 Cl 0.62300118385470 0.00330663224434 0.35745339859196 35.453 > 8 9 Cl 0.62300118385470 0.49669336775566 0.35745339859196 35.453 > 9 *10 Cl 0.16756229273271 0.92368933316440 0.93027538602006 35.453 > 10 11 Cl 0.16756229273271 0.57631066683560 0.93027538602006 35.453 > 11 *12 Cl 0.80220789725344 0.25000000000000 0.64152949000209 35.453 > 12 *13 Cl 0.33950062687154 0.25000000000000 0.11841854068943 35.453 > 13 14 Cl 0.66049937312846 0.75000000000000 0.88158145931057 35.453 > 14 15 Cl 0.19779210274656 0.75000000000000 0.35847050999791 35.453 > 15 16 Cl 0.83243770726729 0.42368933316439 0.06972461397994 35.453 > 16 17 Cl 0.83243770726729 0.07631066683561 0.06972461397994 35.453 > 17 18 Cl 0.37699881614530 0.50330663224434 0.64254660140804 35.453 > 18 19 Cl 0.37699881614530 0.99669336775566 0.64254660140804 35.453 > 19 20 Cl 0.11412623941760 0.25000000000000 0.42378428934380 35.453 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.508156889248918 0.000000000000000 0.000000000000000 b 0.000000000000000 10.339574469999999 0.000000000000000 c -6.129282158458114 0.000000000000000 15.663782884384744 Atomic positions (fractional): *1 Sr 0.38780126546280 0.97589806889629 0.36608170957003 87.620 > 1 2 Sr 0.88780126546280 0.97589806889629 0.36608170957003 87.620 > 1 3 Sr 0.38780126546280 0.97589806889629 0.86608170957003 87.620 > 1 4 Sr 0.88780126546280 0.97589806889629 0.86608170957003 87.620 > 1 5 Sr 0.38780126546280 0.52410193110371 0.36608170957003 87.620 > 2 6 Sr 0.88780126546280 0.52410193110371 0.36608170957003 87.620 > 2 7 Sr 0.38780126546280 0.52410193110371 0.86608170957003 87.620 > 2 8 Sr 0.88780126546280 0.52410193110371 0.86608170957003 87.620 > 2 9 Sr 0.11219873453720 0.47589806889629 0.13391829042997 87.620 > 3 10 Sr 0.61219873453720 0.47589806889629 0.13391829042997 87.620 > 3 11 Sr 0.11219873453720 0.47589806889629 0.63391829042997 87.620 > 3 12 Sr 0.61219873453720 0.47589806889629 0.63391829042997 87.620 > 3 13 Sr 0.11219873453720 0.02410193110371 0.13391829042997 87.620 > 4 14 Sr 0.61219873453720 0.02410193110371 0.13391829042997 87.620 > 4 15 Sr 0.11219873453720 0.02410193110371 0.63391829042997 87.620 > 4 16 Sr 0.61219873453720 0.02410193110371 0.63391829042997 87.620 > 4 *17 La 0.13637304481836 0.75000000000000 0.35890330286532 138.905 > 5 18 La 0.63637304481836 0.75000000000000 0.35890330286532 138.905 > 5 19 La 0.13637304481836 0.75000000000000 0.85890330286532 138.905 > 5 20 La 0.63637304481836 0.75000000000000 0.85890330286532 138.905 > 5 21 La 0.36362695518164 0.25000000000000 0.14109669713468 138.905 > 6 22 La 0.86362695518164 0.25000000000000 0.14109669713468 138.905 > 6 23 La 0.36362695518164 0.25000000000000 0.64109669713468 138.905 > 6 24 La 0.86362695518164 0.25000000000000 0.64109669713468 138.905 > 6 *25 Cl 0.44293688029120 0.75000000000000 0.28810785532810 35.453 > 7 26 Cl 0.94293688029120 0.75000000000000 0.28810785532810 35.453 > 7 27 Cl 0.44293688029120 0.75000000000000 0.78810785532810 35.453 > 7 28 Cl 0.94293688029120 0.75000000000000 0.78810785532810 35.453 > 7 *29 Cl 0.31150059192735 0.00330663224434 0.17872669929598 35.453 > 8 30 Cl 0.81150059192735 0.00330663224434 0.17872669929598 35.453 > 8 31 Cl 0.31150059192735 0.00330663224434 0.67872669929598 35.453 > 8 32 Cl 0.81150059192735 0.00330663224434 0.67872669929598 35.453 > 8 33 Cl 0.31150059192735 0.49669336775566 0.17872669929598 35.453 > 9 34 Cl 0.81150059192735 0.49669336775566 0.17872669929598 35.453 > 9 35 Cl 0.31150059192735 0.49669336775566 0.67872669929598 35.453 > 9 36 Cl 0.81150059192735 0.49669336775566 0.67872669929598 35.453 > 9 *37 Cl 0.08378114636635 0.92368933316440 0.46513769301003 35.453 > 10 38 Cl 0.58378114636635 0.92368933316440 0.46513769301003 35.453 > 10 39 Cl 0.08378114636635 0.92368933316440 0.96513769301003 35.453 > 10 40 Cl 0.58378114636635 0.92368933316440 0.96513769301003 35.453 > 10 41 Cl 0.08378114636635 0.57631066683560 0.46513769301003 35.453 > 11 42 Cl 0.58378114636635 0.57631066683560 0.46513769301003 35.453 > 11 43 Cl 0.08378114636635 0.57631066683560 0.96513769301003 35.453 > 11 44 Cl 0.58378114636635 0.57631066683560 0.96513769301003 35.453 > 11 *45 Cl 0.40110394862672 0.25000000000000 0.32076474500105 35.453 > 12 46 Cl 0.90110394862672 0.25000000000000 0.32076474500105 35.453 > 12 47 Cl 0.40110394862672 0.25000000000000 0.82076474500105 35.453 > 12 48 Cl 0.90110394862672 0.25000000000000 0.82076474500105 35.453 > 12 *49 Cl 0.16975031343577 0.25000000000000 0.05920927034472 35.453 > 13 50 Cl 0.66975031343577 0.25000000000000 0.05920927034472 35.453 > 13 51 Cl 0.16975031343577 0.25000000000000 0.55920927034472 35.453 > 13 52 Cl 0.66975031343577 0.25000000000000 0.55920927034472 35.453 > 13 53 Cl 0.33024968656423 0.75000000000000 0.44079072965528 35.453 > 14 54 Cl 0.83024968656423 0.75000000000000 0.44079072965528 35.453 > 14 55 Cl 0.33024968656423 0.75000000000000 0.94079072965528 35.453 > 14 56 Cl 0.83024968656423 0.75000000000000 0.94079072965528 35.453 > 14 57 Cl 0.09889605137328 0.75000000000000 0.17923525499896 35.453 > 15 58 Cl 0.59889605137328 0.75000000000000 0.17923525499896 35.453 > 15 59 Cl 0.09889605137328 0.75000000000000 0.67923525499895 35.453 > 15 60 Cl 0.59889605137328 0.75000000000000 0.67923525499895 35.453 > 15 61 Cl 0.41621885363365 0.42368933316439 0.03486230698997 35.453 > 16 62 Cl 0.91621885363365 0.42368933316439 0.03486230698997 35.453 > 16 63 Cl 0.41621885363365 0.42368933316439 0.53486230698997 35.453 > 16 64 Cl 0.91621885363365 0.42368933316439 0.53486230698997 35.453 > 16 65 Cl 0.41621885363365 0.07631066683561 0.03486230698997 35.453 > 17 66 Cl 0.91621885363365 0.07631066683561 0.03486230698997 35.453 > 17 67 Cl 0.41621885363365 0.07631066683561 0.53486230698997 35.453 > 17 68 Cl 0.91621885363365 0.07631066683561 0.53486230698997 35.453 > 17 69 Cl 0.18849940807265 0.50330663224434 0.32127330070402 35.453 > 18 70 Cl 0.68849940807265 0.50330663224434 0.32127330070402 35.453 > 18 71 Cl 0.18849940807265 0.50330663224434 0.82127330070402 35.453 > 18 72 Cl 0.68849940807265 0.50330663224434 0.82127330070402 35.453 > 18 73 Cl 0.18849940807265 0.99669336775566 0.32127330070402 35.453 > 19 74 Cl 0.68849940807265 0.99669336775566 0.32127330070402 35.453 > 19 75 Cl 0.18849940807265 0.99669336775566 0.82127330070402 35.453 > 19 76 Cl 0.68849940807265 0.99669336775566 0.82127330070402 35.453 > 19 77 Cl 0.05706311970880 0.25000000000000 0.21189214467190 35.453 > 20 78 Cl 0.55706311970880 0.25000000000000 0.21189214467190 35.453 > 20 79 Cl 0.05706311970880 0.25000000000000 0.71189214467190 35.453 > 20 80 Cl 0.55706311970880 0.25000000000000 0.71189214467190 35.453 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9441059 0.0000000 -0.0604218 0.0000000 2.9047562 0.0000000 -0.0604287 0.0000000 2.8451085 -------------------------- Born effective charges -------------------------- 1 Sr 2.3668408 -0.0710235 0.0114534 0.0101549 2.4473092 -0.1235226 0.1386313 -0.1170390 2.4490103 2 Sr 2.3668408 0.0710235 0.0114534 -0.0101549 2.4473092 0.1235226 0.1386313 0.1170390 2.4490103 3 Sr 2.3668408 0.0710235 0.0114534 -0.0101549 2.4473092 0.1235226 0.1386313 0.1170390 2.4490103 4 Sr 2.3668408 -0.0710235 0.0114534 0.0101549 2.4473092 -0.1235226 0.1386313 -0.1170390 2.4490103 5 La 4.2261704 0.0000000 -0.3268663 0.0000000 3.5969841 0.0000000 -0.5871871 0.0000000 3.2049578 6 La 4.2261704 0.0000000 -0.3268663 0.0000000 3.5969841 0.0000000 -0.5871871 0.0000000 3.2049578 7 Cl -1.7505632 0.0000000 -0.1101404 0.0000000 -1.1766052 0.0000000 -0.1554010 0.0000000 -0.6936704 8 Cl -1.2104277 -0.3829560 -0.0335907 -0.3984912 -1.2846398 0.3306690 -0.0314129 0.3449350 -1.0651017 9 Cl -1.2104277 0.3829560 -0.0335907 0.3984912 -1.2846398 -0.3306690 -0.0314129 -0.3449350 -1.0651017 10 Cl -1.2373835 0.4508772 0.2094858 0.4721647 -1.0574542 -0.5758688 0.2770036 -0.5437518 -1.5370780 11 Cl -1.2373835 -0.4508772 0.2094858 -0.4721647 -1.0574542 0.5758688 0.2770036 0.5437518 -1.5370780 12 Cl -0.6186248 0.0000000 0.2576622 0.0000000 -1.4565623 0.0000000 0.2217614 0.0000000 -1.4843272 13 Cl -1.6950416 0.0000000 -0.1953524 0.0000000 -1.1742470 0.0000000 -0.2476174 0.0000000 -0.7206213 14 Cl -1.6950416 0.0000000 -0.1953524 0.0000000 -1.1742470 0.0000000 -0.2476174 0.0000000 -0.7206213 15 Cl -0.6186248 0.0000000 0.2576622 0.0000000 -1.4565623 0.0000000 0.2217614 0.0000000 -1.4843272 16 Cl -1.2373835 -0.4508772 0.2094858 -0.4721647 -1.0574542 0.5758688 0.2770036 0.5437518 -1.5370780 17 Cl -1.2373835 0.4508772 0.2094858 0.4721647 -1.0574542 -0.5758688 0.2770036 -0.5437518 -1.5370780 18 Cl -1.2104277 0.3829560 -0.0335907 0.3984912 -1.2846398 -0.3306690 -0.0314129 -0.3449350 -1.0651017 19 Cl -1.2104277 -0.3829560 -0.0335907 -0.3984912 -1.2846398 0.3306690 -0.0314129 0.3449350 -1.0651017 20 Cl -1.7505632 0.0000000 -0.1101404 0.0000000 -1.1766052 0.0000000 -0.1554010 0.0000000 -0.6936704 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1952 Number of blocks in projector: 1952 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 464 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 272 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 272 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 272 Use standard eigh solver. Tree of FC basis block matrices: - (1952, 1906), data: False |-- (272, 265), data: True |-- (272, 265), data: True |-- (272, 265), data: True |-- (336, 330), data: True |-- (336, 330), data: True |-- (464, 451), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 2.292 Solver_block: 200 / 640 - Time: 2.297 Solver_block: 300 / 640 - Time: 2.296 Solver_block: 400 / 640 - Time: 2.293 Solver_block: 500 / 640 - Time: 2.297 Solver_block: 600 / 640 - Time: 2.288 Solver_block: 640 / 640 - Time: 0.980 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.794 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1952 Number of blocks in projector: 1952 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 464 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 272 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 272 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 272 Use standard eigh solver. Tree of FC basis block matrices: - (1952, 1906), data: False |-- (272, 265), data: True |-- (272, 265), data: True |-- (272, 265), data: True |-- (336, 330), data: True |-- (336, 330), data: True |-- (464, 451), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 01:10:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 01:10:08]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.754078444624459 0.000000000000000 0.000000000000000 b 0.000000000000000 10.339574469999999 0.000000000000000 c -3.064641079229057 0.000000000000000 7.831891442192372 Atomic positions (fractional): 1 Sr 0.77560253092560 0.97589806889629 0.73216341914006 87.620 2 Sr 0.77560253092560 0.52410193110371 0.73216341914006 87.620 3 Sr 0.22439746907440 0.47589806889629 0.26783658085994 87.620 4 Sr 0.22439746907440 0.02410193110371 0.26783658085994 87.620 5 La 0.27274608963672 0.75000000000000 0.71780660573064 138.905 6 La 0.72725391036328 0.25000000000000 0.28219339426936 138.905 7 Cl 0.88587376058240 0.75000000000000 0.57621571065620 35.453 8 Cl 0.62300118385470 0.00330663224434 0.35745339859196 35.453 9 Cl 0.62300118385470 0.49669336775566 0.35745339859196 35.453 10 Cl 0.16756229273271 0.92368933316440 0.93027538602006 35.453 11 Cl 0.16756229273271 0.57631066683560 0.93027538602006 35.453 12 Cl 0.80220789725344 0.25000000000000 0.64152949000209 35.453 13 Cl 0.33950062687154 0.25000000000000 0.11841854068943 35.453 14 Cl 0.66049937312846 0.75000000000000 0.88158145931057 35.453 15 Cl 0.19779210274656 0.75000000000000 0.35847050999791 35.453 16 Cl 0.83243770726729 0.42368933316439 0.06972461397994 35.453 17 Cl 0.83243770726729 0.07631066683561 0.06972461397994 35.453 18 Cl 0.37699881614530 0.50330663224434 0.64254660140804 35.453 19 Cl 0.37699881614530 0.99669336775566 0.64254660140804 35.453 20 Cl 0.11412623941760 0.25000000000000 0.42378428934380 35.453 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.508156889248918 0.000000000000000 0.000000000000000 b 0.000000000000000 10.339574469999999 0.000000000000000 c -6.129282158458114 0.000000000000000 15.663782884384744 Atomic positions (fractional): 1 Sr 0.38780126546280 0.97589806889629 0.36608170957003 87.620 > 1 2 Sr 0.88780126546280 0.97589806889629 0.36608170957003 87.620 > 1 3 Sr 0.38780126546280 0.97589806889629 0.86608170957003 87.620 > 1 4 Sr 0.88780126546280 0.97589806889629 0.86608170957003 87.620 > 1 5 Sr 0.38780126546280 0.52410193110371 0.36608170957003 87.620 > 5 6 Sr 0.88780126546280 0.52410193110371 0.36608170957003 87.620 > 5 7 Sr 0.38780126546280 0.52410193110371 0.86608170957003 87.620 > 5 8 Sr 0.88780126546280 0.52410193110371 0.86608170957003 87.620 > 5 9 Sr 0.11219873453720 0.47589806889629 0.13391829042997 87.620 > 9 10 Sr 0.61219873453720 0.47589806889629 0.13391829042997 87.620 > 9 11 Sr 0.11219873453720 0.47589806889629 0.63391829042997 87.620 > 9 12 Sr 0.61219873453720 0.47589806889629 0.63391829042997 87.620 > 9 13 Sr 0.11219873453720 0.02410193110371 0.13391829042997 87.620 > 13 14 Sr 0.61219873453720 0.02410193110371 0.13391829042997 87.620 > 13 15 Sr 0.11219873453720 0.02410193110371 0.63391829042997 87.620 > 13 16 Sr 0.61219873453720 0.02410193110371 0.63391829042997 87.620 > 13 17 La 0.13637304481836 0.75000000000000 0.35890330286532 138.905 > 17 18 La 0.63637304481836 0.75000000000000 0.35890330286532 138.905 > 17 19 La 0.13637304481836 0.75000000000000 0.85890330286532 138.905 > 17 20 La 0.63637304481836 0.75000000000000 0.85890330286532 138.905 > 17 21 La 0.36362695518164 0.25000000000000 0.14109669713468 138.905 > 21 22 La 0.86362695518164 0.25000000000000 0.14109669713468 138.905 > 21 23 La 0.36362695518164 0.25000000000000 0.64109669713468 138.905 > 21 24 La 0.86362695518164 0.25000000000000 0.64109669713468 138.905 > 21 25 Cl 0.44293688029120 0.75000000000000 0.28810785532810 35.453 > 25 26 Cl 0.94293688029120 0.75000000000000 0.28810785532810 35.453 > 25 27 Cl 0.44293688029120 0.75000000000000 0.78810785532810 35.453 > 25 28 Cl 0.94293688029120 0.75000000000000 0.78810785532810 35.453 > 25 29 Cl 0.31150059192735 0.00330663224434 0.17872669929598 35.453 > 29 30 Cl 0.81150059192735 0.00330663224434 0.17872669929598 35.453 > 29 31 Cl 0.31150059192735 0.00330663224434 0.67872669929598 35.453 > 29 32 Cl 0.81150059192735 0.00330663224434 0.67872669929598 35.453 > 29 33 Cl 0.31150059192735 0.49669336775566 0.17872669929598 35.453 > 33 34 Cl 0.81150059192735 0.49669336775566 0.17872669929598 35.453 > 33 35 Cl 0.31150059192735 0.49669336775566 0.67872669929598 35.453 > 33 36 Cl 0.81150059192735 0.49669336775566 0.67872669929598 35.453 > 33 37 Cl 0.08378114636635 0.92368933316440 0.46513769301003 35.453 > 37 38 Cl 0.58378114636635 0.92368933316440 0.46513769301003 35.453 > 37 39 Cl 0.08378114636635 0.92368933316440 0.96513769301003 35.453 > 37 40 Cl 0.58378114636635 0.92368933316440 0.96513769301003 35.453 > 37 41 Cl 0.08378114636635 0.57631066683560 0.46513769301003 35.453 > 41 42 Cl 0.58378114636635 0.57631066683560 0.46513769301003 35.453 > 41 43 Cl 0.08378114636635 0.57631066683560 0.96513769301003 35.453 > 41 44 Cl 0.58378114636635 0.57631066683560 0.96513769301003 35.453 > 41 45 Cl 0.40110394862672 0.25000000000000 0.32076474500105 35.453 > 45 46 Cl 0.90110394862672 0.25000000000000 0.32076474500105 35.453 > 45 47 Cl 0.40110394862672 0.25000000000000 0.82076474500105 35.453 > 45 48 Cl 0.90110394862672 0.25000000000000 0.82076474500105 35.453 > 45 49 Cl 0.16975031343577 0.25000000000000 0.05920927034472 35.453 > 49 50 Cl 0.66975031343577 0.25000000000000 0.05920927034472 35.453 > 49 51 Cl 0.16975031343577 0.25000000000000 0.55920927034472 35.453 > 49 52 Cl 0.66975031343577 0.25000000000000 0.55920927034472 35.453 > 49 53 Cl 0.33024968656423 0.75000000000000 0.44079072965528 35.453 > 53 54 Cl 0.83024968656423 0.75000000000000 0.44079072965528 35.453 > 53 55 Cl 0.33024968656423 0.75000000000000 0.94079072965528 35.453 > 53 56 Cl 0.83024968656423 0.75000000000000 0.94079072965528 35.453 > 53 57 Cl 0.09889605137328 0.75000000000000 0.17923525499896 35.453 > 57 58 Cl 0.59889605137328 0.75000000000000 0.17923525499896 35.453 > 57 59 Cl 0.09889605137328 0.75000000000000 0.67923525499895 35.453 > 57 60 Cl 0.59889605137328 0.75000000000000 0.67923525499895 35.453 > 57 61 Cl 0.41621885363365 0.42368933316439 0.03486230698997 35.453 > 61 62 Cl 0.91621885363365 0.42368933316439 0.03486230698997 35.453 > 61 63 Cl 0.41621885363365 0.42368933316439 0.53486230698997 35.453 > 61 64 Cl 0.91621885363365 0.42368933316439 0.53486230698997 35.453 > 61 65 Cl 0.41621885363365 0.07631066683561 0.03486230698997 35.453 > 65 66 Cl 0.91621885363365 0.07631066683561 0.03486230698997 35.453 > 65 67 Cl 0.41621885363365 0.07631066683561 0.53486230698997 35.453 > 65 68 Cl 0.91621885363365 0.07631066683561 0.53486230698997 35.453 > 65 69 Cl 0.18849940807265 0.50330663224434 0.32127330070402 35.453 > 69 70 Cl 0.68849940807265 0.50330663224434 0.32127330070402 35.453 > 69 71 Cl 0.18849940807265 0.50330663224434 0.82127330070402 35.453 > 69 72 Cl 0.68849940807265 0.50330663224434 0.82127330070402 35.453 > 69 73 Cl 0.18849940807265 0.99669336775566 0.32127330070402 35.453 > 73 74 Cl 0.68849940807265 0.99669336775566 0.32127330070402 35.453 > 73 75 Cl 0.18849940807265 0.99669336775566 0.82127330070402 35.453 > 73 76 Cl 0.68849940807265 0.99669336775566 0.82127330070402 35.453 > 73 77 Cl 0.05706311970880 0.25000000000000 0.21189214467190 35.453 > 77 78 Cl 0.55706311970880 0.25000000000000 0.21189214467190 35.453 > 77 79 Cl 0.05706311970880 0.25000000000000 0.71189214467190 35.453 > 77 80 Cl 0.55706311970880 0.25000000000000 0.71189214467190 35.453 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9441059 0.0000000 -0.0604218 0.0000000 2.9047562 0.0000000 -0.0604287 0.0000000 2.8451085 -------------------------- Born effective charges -------------------------- 1 Sr 2.3668408 -0.0710235 0.0114534 0.0101549 2.4473092 -0.1235226 0.1386313 -0.1170390 2.4490103 2 Sr 2.3668408 0.0710235 0.0114534 -0.0101549 2.4473092 0.1235226 0.1386313 0.1170390 2.4490103 3 Sr 2.3668408 0.0710235 0.0114534 -0.0101549 2.4473092 0.1235226 0.1386313 0.1170390 2.4490103 4 Sr 2.3668408 -0.0710235 0.0114534 0.0101549 2.4473092 -0.1235226 0.1386313 -0.1170390 2.4490103 5 La 4.2261704 0.0000000 -0.3268663 0.0000000 3.5969841 0.0000000 -0.5871871 0.0000000 3.2049578 6 La 4.2261704 0.0000000 -0.3268663 0.0000000 3.5969841 0.0000000 -0.5871871 0.0000000 3.2049578 7 Cl -1.7505632 0.0000000 -0.1101404 0.0000000 -1.1766052 0.0000000 -0.1554010 0.0000000 -0.6936704 8 Cl -1.2104277 -0.3829560 -0.0335907 -0.3984912 -1.2846398 0.3306690 -0.0314129 0.3449350 -1.0651017 9 Cl -1.2104277 0.3829560 -0.0335907 0.3984912 -1.2846398 -0.3306690 -0.0314129 -0.3449350 -1.0651017 10 Cl -1.2373835 0.4508772 0.2094858 0.4721647 -1.0574542 -0.5758688 0.2770036 -0.5437518 -1.5370780 11 Cl -1.2373835 -0.4508772 0.2094858 -0.4721647 -1.0574542 0.5758688 0.2770036 0.5437518 -1.5370780 12 Cl -0.6186248 0.0000000 0.2576622 0.0000000 -1.4565623 0.0000000 0.2217614 0.0000000 -1.4843272 13 Cl -1.6950416 0.0000000 -0.1953524 0.0000000 -1.1742470 0.0000000 -0.2476174 0.0000000 -0.7206213 14 Cl -1.6950416 0.0000000 -0.1953524 0.0000000 -1.1742470 0.0000000 -0.2476174 0.0000000 -0.7206213 15 Cl -0.6186248 0.0000000 0.2576622 0.0000000 -1.4565623 0.0000000 0.2217614 0.0000000 -1.4843272 16 Cl -1.2373835 -0.4508772 0.2094858 -0.4721647 -1.0574542 0.5758688 0.2770036 0.5437518 -1.5370780 17 Cl -1.2373835 0.4508772 0.2094858 0.4721647 -1.0574542 -0.5758688 0.2770036 -0.5437518 -1.5370780 18 Cl -1.2104277 0.3829560 -0.0335907 0.3984912 -1.2846398 -0.3306690 -0.0314129 -0.3449350 -1.0651017 19 Cl -1.2104277 -0.3829560 -0.0335907 -0.3984912 -1.2846398 0.3306690 -0.0314129 0.3449350 -1.0651017 20 Cl -1.7505632 0.0000000 -0.1101404 0.0000000 -1.1766052 0.0000000 -0.1554010 0.0000000 -0.6936704 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 25, 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 29, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 37, 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 45, 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (yxy) -0.00000002 (yxy) -0.00000002 (yyx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (zx) 0.00000001 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 01:10:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 01:10:24]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.754078444624459 0.000000000000000 0.000000000000000 b 0.000000000000000 10.339574469999999 0.000000000000000 c -3.064641079229057 0.000000000000000 7.831891442192372 Atomic positions (fractional): 1 Sr 0.77560253092560 0.97589806889629 0.73216341914006 87.620 2 Sr 0.77560253092560 0.52410193110371 0.73216341914006 87.620 3 Sr 0.22439746907440 0.47589806889629 0.26783658085994 87.620 4 Sr 0.22439746907440 0.02410193110371 0.26783658085994 87.620 5 La 0.27274608963672 0.75000000000000 0.71780660573064 138.905 6 La 0.72725391036328 0.25000000000000 0.28219339426936 138.905 7 Cl 0.88587376058240 0.75000000000000 0.57621571065620 35.453 8 Cl 0.62300118385470 0.00330663224434 0.35745339859196 35.453 9 Cl 0.62300118385470 0.49669336775566 0.35745339859196 35.453 10 Cl 0.16756229273271 0.92368933316440 0.93027538602006 35.453 11 Cl 0.16756229273271 0.57631066683560 0.93027538602006 35.453 12 Cl 0.80220789725344 0.25000000000000 0.64152949000209 35.453 13 Cl 0.33950062687154 0.25000000000000 0.11841854068943 35.453 14 Cl 0.66049937312846 0.75000000000000 0.88158145931057 35.453 15 Cl 0.19779210274656 0.75000000000000 0.35847050999791 35.453 16 Cl 0.83243770726729 0.42368933316439 0.06972461397994 35.453 17 Cl 0.83243770726729 0.07631066683561 0.06972461397994 35.453 18 Cl 0.37699881614530 0.50330663224434 0.64254660140804 35.453 19 Cl 0.37699881614530 0.99669336775566 0.64254660140804 35.453 20 Cl 0.11412623941760 0.25000000000000 0.42378428934380 35.453 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.508156889248918 0.000000000000000 0.000000000000000 b 0.000000000000000 10.339574469999999 0.000000000000000 c -6.129282158458114 0.000000000000000 15.663782884384744 Atomic positions (fractional): 1 Sr 0.38780126546280 0.97589806889629 0.36608170957003 87.620 > 1 2 Sr 0.88780126546280 0.97589806889629 0.36608170957003 87.620 > 1 3 Sr 0.38780126546280 0.97589806889629 0.86608170957003 87.620 > 1 4 Sr 0.88780126546280 0.97589806889629 0.86608170957003 87.620 > 1 5 Sr 0.38780126546280 0.52410193110371 0.36608170957003 87.620 > 5 6 Sr 0.88780126546280 0.52410193110371 0.36608170957003 87.620 > 5 7 Sr 0.38780126546280 0.52410193110371 0.86608170957003 87.620 > 5 8 Sr 0.88780126546280 0.52410193110371 0.86608170957003 87.620 > 5 9 Sr 0.11219873453720 0.47589806889629 0.13391829042997 87.620 > 9 10 Sr 0.61219873453720 0.47589806889629 0.13391829042997 87.620 > 9 11 Sr 0.11219873453720 0.47589806889629 0.63391829042997 87.620 > 9 12 Sr 0.61219873453720 0.47589806889629 0.63391829042997 87.620 > 9 13 Sr 0.11219873453720 0.02410193110371 0.13391829042997 87.620 > 13 14 Sr 0.61219873453720 0.02410193110371 0.13391829042997 87.620 > 13 15 Sr 0.11219873453720 0.02410193110371 0.63391829042997 87.620 > 13 16 Sr 0.61219873453720 0.02410193110371 0.63391829042997 87.620 > 13 17 La 0.13637304481836 0.75000000000000 0.35890330286532 138.905 > 17 18 La 0.63637304481836 0.75000000000000 0.35890330286532 138.905 > 17 19 La 0.13637304481836 0.75000000000000 0.85890330286532 138.905 > 17 20 La 0.63637304481836 0.75000000000000 0.85890330286532 138.905 > 17 21 La 0.36362695518164 0.25000000000000 0.14109669713468 138.905 > 21 22 La 0.86362695518164 0.25000000000000 0.14109669713468 138.905 > 21 23 La 0.36362695518164 0.25000000000000 0.64109669713468 138.905 > 21 24 La 0.86362695518164 0.25000000000000 0.64109669713468 138.905 > 21 25 Cl 0.44293688029120 0.75000000000000 0.28810785532810 35.453 > 25 26 Cl 0.94293688029120 0.75000000000000 0.28810785532810 35.453 > 25 27 Cl 0.44293688029120 0.75000000000000 0.78810785532810 35.453 > 25 28 Cl 0.94293688029120 0.75000000000000 0.78810785532810 35.453 > 25 29 Cl 0.31150059192735 0.00330663224434 0.17872669929598 35.453 > 29 30 Cl 0.81150059192735 0.00330663224434 0.17872669929598 35.453 > 29 31 Cl 0.31150059192735 0.00330663224434 0.67872669929598 35.453 > 29 32 Cl 0.81150059192735 0.00330663224434 0.67872669929598 35.453 > 29 33 Cl 0.31150059192735 0.49669336775566 0.17872669929598 35.453 > 33 34 Cl 0.81150059192735 0.49669336775566 0.17872669929598 35.453 > 33 35 Cl 0.31150059192735 0.49669336775566 0.67872669929598 35.453 > 33 36 Cl 0.81150059192735 0.49669336775566 0.67872669929598 35.453 > 33 37 Cl 0.08378114636635 0.92368933316440 0.46513769301003 35.453 > 37 38 Cl 0.58378114636635 0.92368933316440 0.46513769301003 35.453 > 37 39 Cl 0.08378114636635 0.92368933316440 0.96513769301003 35.453 > 37 40 Cl 0.58378114636635 0.92368933316440 0.96513769301003 35.453 > 37 41 Cl 0.08378114636635 0.57631066683560 0.46513769301003 35.453 > 41 42 Cl 0.58378114636635 0.57631066683560 0.46513769301003 35.453 > 41 43 Cl 0.08378114636635 0.57631066683560 0.96513769301003 35.453 > 41 44 Cl 0.58378114636635 0.57631066683560 0.96513769301003 35.453 > 41 45 Cl 0.40110394862672 0.25000000000000 0.32076474500105 35.453 > 45 46 Cl 0.90110394862672 0.25000000000000 0.32076474500105 35.453 > 45 47 Cl 0.40110394862672 0.25000000000000 0.82076474500105 35.453 > 45 48 Cl 0.90110394862672 0.25000000000000 0.82076474500105 35.453 > 45 49 Cl 0.16975031343577 0.25000000000000 0.05920927034472 35.453 > 49 50 Cl 0.66975031343577 0.25000000000000 0.05920927034472 35.453 > 49 51 Cl 0.16975031343577 0.25000000000000 0.55920927034472 35.453 > 49 52 Cl 0.66975031343577 0.25000000000000 0.55920927034472 35.453 > 49 53 Cl 0.33024968656423 0.75000000000000 0.44079072965528 35.453 > 53 54 Cl 0.83024968656423 0.75000000000000 0.44079072965528 35.453 > 53 55 Cl 0.33024968656423 0.75000000000000 0.94079072965528 35.453 > 53 56 Cl 0.83024968656423 0.75000000000000 0.94079072965528 35.453 > 53 57 Cl 0.09889605137328 0.75000000000000 0.17923525499896 35.453 > 57 58 Cl 0.59889605137328 0.75000000000000 0.17923525499896 35.453 > 57 59 Cl 0.09889605137328 0.75000000000000 0.67923525499895 35.453 > 57 60 Cl 0.59889605137328 0.75000000000000 0.67923525499895 35.453 > 57 61 Cl 0.41621885363365 0.42368933316439 0.03486230698997 35.453 > 61 62 Cl 0.91621885363365 0.42368933316439 0.03486230698997 35.453 > 61 63 Cl 0.41621885363365 0.42368933316439 0.53486230698997 35.453 > 61 64 Cl 0.91621885363365 0.42368933316439 0.53486230698997 35.453 > 61 65 Cl 0.41621885363365 0.07631066683561 0.03486230698997 35.453 > 65 66 Cl 0.91621885363365 0.07631066683561 0.03486230698997 35.453 > 65 67 Cl 0.41621885363365 0.07631066683561 0.53486230698997 35.453 > 65 68 Cl 0.91621885363365 0.07631066683561 0.53486230698997 35.453 > 65 69 Cl 0.18849940807265 0.50330663224434 0.32127330070402 35.453 > 69 70 Cl 0.68849940807265 0.50330663224434 0.32127330070402 35.453 > 69 71 Cl 0.18849940807265 0.50330663224434 0.82127330070402 35.453 > 69 72 Cl 0.68849940807265 0.50330663224434 0.82127330070402 35.453 > 69 73 Cl 0.18849940807265 0.99669336775566 0.32127330070402 35.453 > 73 74 Cl 0.68849940807265 0.99669336775566 0.32127330070402 35.453 > 73 75 Cl 0.18849940807265 0.99669336775566 0.82127330070402 35.453 > 73 76 Cl 0.68849940807265 0.99669336775566 0.82127330070402 35.453 > 73 77 Cl 0.05706311970880 0.25000000000000 0.21189214467190 35.453 > 77 78 Cl 0.55706311970880 0.25000000000000 0.21189214467190 35.453 > 77 79 Cl 0.05706311970880 0.25000000000000 0.71189214467190 35.453 > 77 80 Cl 0.55706311970880 0.25000000000000 0.71189214467190 35.453 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.9441059 0.0000000 -0.0604218 0.0000000 2.9047562 0.0000000 -0.0604287 0.0000000 2.8451085 -------------------------- Born effective charges -------------------------- 1 Sr 2.3668408 -0.0710235 0.0114534 0.0101549 2.4473092 -0.1235226 0.1386313 -0.1170390 2.4490103 2 Sr 2.3668408 0.0710235 0.0114534 -0.0101549 2.4473092 0.1235226 0.1386313 0.1170390 2.4490103 3 Sr 2.3668408 0.0710235 0.0114534 -0.0101549 2.4473092 0.1235226 0.1386313 0.1170390 2.4490103 4 Sr 2.3668408 -0.0710235 0.0114534 0.0101549 2.4473092 -0.1235226 0.1386313 -0.1170390 2.4490103 5 La 4.2261704 0.0000000 -0.3268663 0.0000000 3.5969841 0.0000000 -0.5871871 0.0000000 3.2049578 6 La 4.2261704 0.0000000 -0.3268663 0.0000000 3.5969841 0.0000000 -0.5871871 0.0000000 3.2049578 7 Cl -1.7505632 0.0000000 -0.1101404 0.0000000 -1.1766052 0.0000000 -0.1554010 0.0000000 -0.6936704 8 Cl -1.2104277 -0.3829560 -0.0335907 -0.3984912 -1.2846398 0.3306690 -0.0314129 0.3449350 -1.0651017 9 Cl -1.2104277 0.3829560 -0.0335907 0.3984912 -1.2846398 -0.3306690 -0.0314129 -0.3449350 -1.0651017 10 Cl -1.2373835 0.4508772 0.2094858 0.4721647 -1.0574542 -0.5758688 0.2770036 -0.5437518 -1.5370780 11 Cl -1.2373835 -0.4508772 0.2094858 -0.4721647 -1.0574542 0.5758688 0.2770036 0.5437518 -1.5370780 12 Cl -0.6186248 0.0000000 0.2576622 0.0000000 -1.4565623 0.0000000 0.2217614 0.0000000 -1.4843272 13 Cl -1.6950416 0.0000000 -0.1953524 0.0000000 -1.1742470 0.0000000 -0.2476174 0.0000000 -0.7206213 14 Cl -1.6950416 0.0000000 -0.1953524 0.0000000 -1.1742470 0.0000000 -0.2476174 0.0000000 -0.7206213 15 Cl -0.6186248 0.0000000 0.2576622 0.0000000 -1.4565623 0.0000000 0.2217614 0.0000000 -1.4843272 16 Cl -1.2373835 -0.4508772 0.2094858 -0.4721647 -1.0574542 0.5758688 0.2770036 0.5437518 -1.5370780 17 Cl -1.2373835 0.4508772 0.2094858 0.4721647 -1.0574542 -0.5758688 0.2770036 -0.5437518 -1.5370780 18 Cl -1.2104277 0.3829560 -0.0335907 0.3984912 -1.2846398 -0.3306690 -0.0314129 -0.3449350 -1.0651017 19 Cl -1.2104277 -0.3829560 -0.0335907 -0.3984912 -1.2846398 0.3306690 -0.0314129 0.3449350 -1.0651017 20 Cl -1.7505632 0.0000000 -0.1101404 0.0000000 -1.1766052 0.0000000 -0.1554010 0.0000000 -0.6936704 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (yxy) -0.00000002 (yxy) -0.00000002 (yyx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 5 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.48, Number of G-points: 301, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/66) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 66 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 0.976 ( 0.000 0.000 0.000) 0.000 1.375 ( 0.000 0.000 0.000) 0.000 1.603 ( 0.000 0.000 0.000) 0.000 1.727 ( 0.000 0.000 0.000) 0.000 1.750 ( 0.000 0.000 0.000) 0.000 1.769 ( 0.000 0.000 0.000) 0.000 1.796 ( 0.000 0.000 0.000) 0.000 1.970 ( 0.000 0.000 0.000) 0.000 2.293 ( 0.000 0.000 0.000) 0.000 2.487 ( 0.000 0.000 0.000) 0.000 2.507 ( 0.000 0.000 0.000) 0.000 2.516 ( 0.000 0.000 0.000) 0.000 2.579 ( 0.000 0.000 0.000) 0.000 2.841 ( 0.000 0.000 0.000) 0.000 2.908 ( 0.000 0.000 0.000) 0.000 3.140 ( 0.000 0.000 0.000) 0.000 3.176 ( 0.000 0.000 0.000) 0.000 3.205 ( 0.000 0.000 0.000) 0.000 3.354 ( 0.000 0.000 0.000) 0.000 3.613 ( 0.000 0.000 0.000) 0.000 3.616 ( 0.000 0.000 0.000) 0.000 3.772 ( 0.000 0.000 0.000) 0.000 3.816 ( 0.000 0.000 0.000) 0.000 4.004 ( 0.000 0.000 0.000) 0.000 4.043 ( 0.000 0.000 0.000) 0.000 4.266 ( 0.000 0.000 0.000) 0.000 4.296 ( 0.000 0.000 0.000) 0.000 4.315 ( 0.000 0.000 0.000) 0.000 4.341 ( 0.000 0.000 0.000) 0.000 4.460 ( 0.000 0.000 0.000) 0.000 4.605 ( 0.000 0.000 0.000) 0.000 4.635 ( 0.000 0.000 0.000) 0.000 4.680 ( 0.000 0.000 0.000) 0.000 4.783 ( 0.000 0.000 0.000) 0.000 4.860 ( 0.000 0.000 0.000) 0.000 4.931 ( 0.000 0.000 0.000) 0.000 5.056 ( 0.000 0.000 0.000) 0.000 5.105 ( 0.000 0.000 0.000) 0.000 5.170 ( 0.000 0.000 0.000) 0.000 5.250 ( 0.000 0.000 0.000) 0.000 5.256 ( 0.000 0.000 0.000) 0.000 5.315 ( 0.000 0.000 0.000) 0.000 5.388 ( 0.000 0.000 0.000) 0.000 5.596 ( 0.000 0.000 0.000) 0.000 5.665 ( 0.000 0.000 0.000) 0.000 5.682 ( 0.000 0.000 0.000) 0.000 5.746 ( 0.000 0.000 0.000) 0.000 6.045 ( 0.000 0.000 0.000) 0.000 6.097 ( 0.000 0.000 0.000) 0.000 6.101 ( 0.000 0.000 0.000) 0.000 6.214 ( 0.000 0.000 0.000) 0.000 6.214 ( 0.000 0.000 0.000) 0.000 6.330 ( 0.000 0.000 0.000) 0.000 6.567 ( 0.000 0.000 0.000) 0.000 7.046 ( 0.000 0.000 0.000) 0.000 7.258 ( 0.000 0.000 0.000) 0.000 7.441 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/66) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.326 ( 15.310 0.000 4.573) 15.979 0.339 ( 17.258 0.000 2.252) 17.404 0.641 ( 31.549 0.000 4.728) 31.901 0.982 ( 0.391 0.000 1.067) 1.136 1.387 ( -7.354 0.000 4.834) 8.801 1.447 ( -5.559 0.000 2.478) 6.086 1.666 ( -2.551 0.000 -1.959) 3.217 1.752 ( -1.060 0.000 2.535) 2.747 1.901 ( 4.892 0.000 -2.554) 5.518 1.905 ( 7.881 0.000 -0.440) 7.894 1.973 ( 0.681 0.000 -0.140) 0.695 2.285 ( -2.509 0.000 1.518) 2.932 2.452 ( -1.564 0.000 -4.356) 4.629 2.472 ( -3.968 0.000 4.600) 6.075 2.514 ( 0.729 0.000 1.009) 1.244 2.610 ( 1.167 0.000 0.578) 1.302 2.808 ( -4.231 0.000 1.471) 4.480 2.937 ( 0.847 0.000 -3.062) 3.178 3.085 ( -3.988 0.000 -1.227) 4.172 3.129 ( -2.665 0.000 4.475) 5.208 3.284 ( 3.176 0.000 1.289) 3.428 3.334 ( -0.633 0.000 -3.503) 3.559 3.600 ( -3.949 0.000 -4.512) 5.996 3.613 ( -0.369 0.000 0.891) 0.965 3.662 ( -12.450 0.000 -3.738) 12.999 3.802 ( 2.665 0.000 -0.392) 2.693 3.961 ( -0.334 0.000 -0.896) 0.957 4.141 ( 5.102 0.000 0.410) 5.119 4.222 ( 1.055 0.000 -5.012) 5.122 4.223 ( -5.387 0.000 0.546) 5.414 4.356 ( -0.021 0.000 -1.814) 1.814 4.469 ( 2.310 0.000 -0.669) 2.405 4.483 ( 3.908 0.000 1.115) 4.063 4.587 ( -0.774 0.000 -4.049) 4.122 4.672 ( 1.031 0.000 -0.211) 1.052 4.723 ( 4.050 0.000 -2.880) 4.970 4.802 ( 1.478 0.000 1.749) 2.290 4.901 ( -0.264 0.000 -3.591) 3.601 4.966 ( 2.594 0.000 -4.037) 4.798 5.110 ( 4.645 0.000 -4.996) 6.822 5.122 ( 1.453 0.000 0.691) 1.609 5.214 ( 0.310 0.000 1.655) 1.684 5.251 ( -0.308 0.000 -0.586) 0.662 5.315 ( -3.984 0.000 -4.894) 6.311 5.316 ( 0.777 0.000 -0.826) 1.134 5.545 ( 3.393 0.000 -5.157) 6.173 5.705 ( 1.705 0.000 -0.709) 1.847 5.718 ( 1.187 0.000 3.856) 4.035 5.759 ( 1.708 0.000 2.701) 3.196 5.911 ( -9.182 0.000 -4.615) 10.277 6.018 ( -11.031 0.000 23.701) 26.142 6.040 ( -0.409 0.000 -0.463) 0.618 6.188 ( -1.580 0.000 -1.563) 2.222 6.205 ( -1.811 0.000 2.584) 3.155 6.383 ( 4.973 0.000 0.155) 4.975 6.439 ( 12.555 0.000 7.161) 14.454 7.018 ( -3.448 0.000 1.014) 3.594 7.271 ( 0.197 0.000 3.127) 3.133 7.453 ( 1.249 0.000 -0.950) 1.569 7.598 ( 4.397 0.000 -25.100) 25.482 ======================= Grid point 2 (3/66) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( 13.166 0.000 2.494) 13.400 0.655 ( 14.681 0.000 2.113) 14.833 1.002 ( 1.202 0.000 0.689) 1.385 1.161 ( -13.885 0.000 4.621) 14.634 1.196 ( 24.587 0.000 0.966) 24.606 1.478 ( -1.009 0.000 0.003) 1.009 1.613 ( -1.060 0.000 3.189) 3.361 1.801 ( 5.084 0.000 2.806) 5.807 1.895 ( -4.888 0.000 1.707) 5.177 1.996 ( 2.389 0.000 0.297) 2.407 2.033 ( 6.193 0.000 -3.115) 6.932 2.197 ( -5.857 0.000 -1.383) 6.018 2.424 ( -6.543 0.000 9.074) 11.187 2.465 ( 4.840 0.000 -2.935) 5.660 2.578 ( 5.380 0.000 0.530) 5.406 2.619 ( -0.682 0.000 1.062) 1.262 2.723 ( -4.592 0.000 0.489) 4.618 2.902 ( -2.826 0.000 -1.138) 3.046 3.032 ( -2.150 0.000 -1.606) 2.684 3.116 ( -2.630 0.000 5.483) 6.081 3.291 ( -0.378 0.000 -4.858) 4.872 3.302 ( -5.505 0.000 -1.782) 5.786 3.385 ( -6.194 0.000 -0.282) 6.201 3.508 ( -5.355 0.000 -1.856) 5.667 3.612 ( -0.219 0.000 0.633) 0.670 3.824 ( -0.531 0.000 -1.060) 1.185 3.969 ( 0.784 0.000 0.911) 1.202 4.155 ( -0.716 0.000 -1.481) 1.645 4.179 ( 1.282 0.000 -2.586) 2.886 4.274 ( 6.214 0.000 -5.218) 8.114 4.338 ( -1.334 0.000 1.531) 2.030 4.442 ( -1.911 0.000 -7.054) 7.308 4.511 ( 2.342 0.000 -1.324) 2.690 4.636 ( 0.295 0.000 7.333) 7.339 4.675 ( 1.340 0.000 -2.441) 2.785 4.760 ( 2.170 0.000 -2.135) 3.045 4.846 ( 1.784 0.000 0.084) 1.786 4.908 ( 2.340 0.000 0.743) 2.455 5.003 ( 2.978 0.000 -0.192) 2.985 5.116 ( 0.381 0.000 -4.067) 4.085 5.157 ( 1.295 0.000 0.717) 1.480 5.212 ( -3.145 0.000 -1.953) 3.702 5.226 ( -0.285 0.000 -1.039) 1.077 5.251 ( 0.770 0.000 -2.054) 2.193 5.346 ( 2.187 0.000 1.069) 2.434 5.582 ( 1.301 0.000 2.642) 2.945 5.629 ( -6.519 0.000 -7.136) 9.665 5.733 ( 0.101 0.000 0.320) 0.336 5.817 ( 0.168 0.000 1.388) 1.398 5.843 ( 2.242 0.000 6.453) 6.832 5.972 ( -6.048 0.000 7.769) 9.846 6.023 ( -0.772 0.000 -1.398) 1.597 6.147 ( -1.276 0.000 -2.010) 2.381 6.183 ( -2.423 0.000 2.547) 3.515 6.500 ( 7.591 0.000 -0.270) 7.596 6.731 ( 12.131 0.000 8.997) 15.103 6.935 ( -6.462 0.000 1.571) 6.650 7.296 ( -0.173 0.000 2.813) 2.818 7.419 ( -2.824 0.000 -10.621) 10.990 7.509 ( 1.927 0.000 -8.416) 8.634 ======================= Grid point 3 (4/66) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( 5.037 0.000 -0.277) 5.045 0.879 ( 7.091 0.000 1.456) 7.239 1.014 ( -0.333 0.000 -0.040) 0.335 1.016 ( -3.771 0.000 3.562) 5.187 1.384 ( -4.822 0.000 -1.632) 5.091 1.522 ( 11.476 0.000 -2.855) 11.826 1.672 ( 1.819 0.000 3.213) 3.692 1.780 ( -7.383 0.000 2.418) 7.769 1.991 ( 11.680 0.000 -0.279) 11.683 2.028 ( 1.086 0.000 2.074) 2.341 2.090 ( -3.493 0.000 -3.239) 4.763 2.105 ( 0.725 0.000 1.125) 1.339 2.368 ( -5.487 0.000 7.309) 9.139 2.536 ( 3.798 0.000 -1.970) 4.278 2.605 ( -1.768 0.000 1.623) 2.400 2.606 ( -1.586 0.000 -2.322) 2.812 2.722 ( 1.212 0.000 0.151) 1.221 2.836 ( -1.851 0.000 0.230) 1.865 2.979 ( 0.383 0.000 -1.254) 1.312 3.111 ( -1.024 0.000 2.474) 2.678 3.147 ( -6.031 0.000 -1.356) 6.181 3.260 ( 0.024 0.000 -2.416) 2.417 3.375 ( 0.586 0.000 -0.510) 0.777 3.425 ( -2.535 0.000 0.738) 2.640 3.617 ( 0.194 0.000 0.533) 0.567 3.782 ( -1.756 0.000 -1.214) 2.134 3.990 ( 0.418 0.000 0.849) 0.946 4.163 ( 1.306 0.000 -0.658) 1.463 4.181 ( 0.768 0.000 -1.974) 2.118 4.304 ( 0.710 0.000 -3.683) 3.751 4.329 ( -0.654 0.000 1.050) 1.238 4.402 ( 0.771 0.000 -1.363) 1.566 4.531 ( 0.551 0.000 -0.317) 0.636 4.631 ( -1.440 0.000 1.403) 2.011 4.726 ( 2.183 0.000 0.620) 2.269 4.776 ( 0.693 0.000 -0.810) 1.066 4.862 ( 0.464 0.000 -0.571) 0.736 4.969 ( 2.351 0.000 1.207) 2.642 5.053 ( 0.367 0.000 1.601) 1.643 5.097 ( 1.148 0.000 -1.923) 2.240 5.165 ( 0.072 0.000 -2.234) 2.235 5.171 ( -1.149 0.000 2.324) 2.593 5.191 ( -1.492 0.000 -2.112) 2.586 5.263 ( 1.097 0.000 -0.955) 1.454 5.389 ( 0.410 0.000 3.593) 3.616 5.472 ( -3.898 0.000 -4.752) 6.146 5.632 ( 1.681 0.000 0.664) 1.808 5.737 ( 0.133 0.000 0.031) 0.137 5.829 ( -0.324 0.000 0.625) 0.704 5.920 ( 1.468 0.000 4.900) 5.116 5.926 ( -2.047 0.000 1.790) 2.719 5.989 ( -1.094 0.000 -2.836) 3.039 6.119 ( -0.495 0.000 -0.942) 1.064 6.161 ( -1.159 0.000 0.973) 1.513 6.649 ( 8.722 0.000 -0.893) 8.767 6.807 ( -8.303 0.000 1.456) 8.430 6.996 ( 8.977 0.000 9.390) 12.991 7.229 ( -6.432 0.000 -8.448) 10.618 7.325 ( 0.392 0.000 -1.633) 1.679 7.504 ( 0.670 0.000 -1.924) 2.038 ======================= Grid point 7 (5/66) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.262 ( 0.000 13.801 0.000) 13.801 0.337 ( 0.000 17.822 0.000) 17.822 0.556 ( 0.000 22.711 0.000) 22.711 1.007 ( 0.000 4.952 0.000) 4.952 1.327 ( 0.000 -9.292 0.000) 9.292 1.563 ( 0.000 -5.157 0.000) 5.157 1.621 ( 0.000 0.043 0.000) 0.043 1.730 ( 0.000 -0.595 0.000) 0.595 1.883 ( 0.000 9.707 0.000) 9.707 1.906 ( 0.000 2.426 0.000) 2.426 2.001 ( 0.000 3.703 0.000) 3.703 2.167 ( 0.000 -10.743 0.000) 10.743 2.436 ( 0.000 -2.084 0.000) 2.084 2.524 ( 0.000 1.609 0.000) 1.609 2.553 ( 0.000 0.469 0.000) 0.469 2.675 ( 0.000 -0.405 0.000) 0.405 2.844 ( 0.000 -4.835 0.000) 4.835 2.971 ( 0.000 1.410 0.000) 1.410 3.079 ( 0.000 -2.834 0.000) 2.834 3.144 ( 0.000 1.162 0.000) 1.162 3.220 ( 0.000 1.109 0.000) 1.109 3.392 ( 0.000 -1.905 0.000) 1.905 3.588 ( 0.000 2.466 0.000) 2.466 3.652 ( 0.000 0.672 0.000) 0.672 3.862 ( 0.000 5.870 0.000) 5.870 3.864 ( 0.000 4.208 0.000) 4.208 3.988 ( 0.000 -1.054 0.000) 1.054 4.069 ( 0.000 2.374 0.000) 2.374 4.227 ( 0.000 -3.457 0.000) 3.457 4.264 ( 0.000 -4.210 0.000) 4.210 4.293 ( 0.000 -3.088 0.000) 3.088 4.335 ( 0.000 -1.578 0.000) 1.578 4.427 ( 0.000 -1.214 0.000) 1.214 4.588 ( 0.000 -1.765 0.000) 1.765 4.653 ( 0.000 2.363 0.000) 2.363 4.702 ( 0.000 1.850 0.000) 1.850 4.777 ( 0.000 -1.512 0.000) 1.512 4.856 ( 0.000 -0.130 0.000) 0.130 4.976 ( 0.000 2.003 0.000) 2.003 5.026 ( 0.000 -7.495 0.000) 7.495 5.055 ( 0.000 0.447 0.000) 0.447 5.119 ( 0.000 -3.021 0.000) 3.021 5.255 ( 0.000 2.074 0.000) 2.074 5.313 ( 0.000 -0.056 0.000) 0.056 5.500 ( 0.000 7.379 0.000) 7.379 5.606 ( 0.000 1.049 0.000) 1.049 5.655 ( 0.000 -0.464 0.000) 0.464 5.688 ( 0.000 0.042 0.000) 0.042 5.762 ( 0.000 1.330 0.000) 1.330 5.928 ( 0.000 -4.955 0.000) 4.955 6.055 ( 0.000 -0.562 0.000) 0.562 6.081 ( 0.000 -1.649 0.000) 1.649 6.153 ( 0.000 2.755 0.000) 2.755 6.212 ( 0.000 -0.259 0.000) 0.259 6.238 ( 0.000 2.786 0.000) 2.786 6.516 ( 0.000 -4.541 0.000) 4.541 7.120 ( 0.000 6.716 0.000) 6.716 7.281 ( 0.000 2.350 0.000) 2.350 7.424 ( 0.000 -1.803 0.000) 1.803 7.561 ( 0.000 -3.871 0.000) 3.871 ======================= Grid point 8 (6/66) ======================= q-point: ( 0.14 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.440 ( 11.900 8.483 3.932) 15.134 0.466 ( 10.337 11.928 5.065) 16.577 0.800 ( 20.441 9.067 -0.819) 22.377 1.039 ( 3.811 9.273 2.245) 10.274 1.304 ( -7.056 -9.411 4.609) 12.633 1.463 ( -2.139 1.765 0.943) 2.929 1.678 ( -0.141 0.328 0.849) 0.921 1.776 ( 4.195 -2.285 -1.316) 4.955 1.851 ( -0.700 5.781 -0.463) 5.841 1.900 ( -2.361 -1.087 1.781) 3.151 2.056 ( 5.646 4.923 -1.910) 7.730 2.183 ( 1.644 -9.355 0.438) 9.509 2.435 ( 0.307 -1.265 -1.005) 1.645 2.481 ( -6.138 2.729 1.138) 6.814 2.529 ( 0.146 1.235 1.262) 1.772 2.669 ( -2.117 1.157 1.768) 2.991 2.789 ( -5.581 -5.396 1.629) 7.932 2.946 ( -2.496 -2.094 -1.185) 3.467 3.049 ( -0.696 1.205 -1.706) 2.202 3.132 ( -1.000 1.153 1.178) 1.928 3.227 ( 0.186 -0.826 0.492) 0.979 3.382 ( -0.234 -3.277 -4.115) 5.266 3.545 ( -4.187 2.307 0.715) 4.834 3.601 ( -6.552 0.430 -0.761) 6.610 3.771 ( -4.024 6.415 -2.040) 7.842 3.878 ( 1.581 5.480 -1.268) 5.843 3.961 ( -1.723 0.527 0.877) 2.004 4.136 ( 5.242 -0.257 -0.799) 5.309 4.186 ( -0.839 -2.494 -4.513) 5.224 4.235 ( -3.941 0.004 0.725) 4.007 4.328 ( 2.331 -7.851 -1.879) 8.402 4.374 ( 2.042 -1.597 -2.482) 3.589 4.450 ( 3.028 -4.059 1.511) 5.284 4.594 ( -0.496 -0.023 -0.089) 0.504 4.667 ( 3.070 1.330 0.267) 3.357 4.711 ( -1.680 -1.124 -4.100) 4.571 4.766 ( 3.158 -0.746 -1.559) 3.600 4.917 ( 4.257 -2.443 -1.127) 5.036 4.977 ( 0.705 1.927 -1.110) 2.333 5.046 ( 2.040 -5.660 -0.018) 6.016 5.094 ( 2.206 -1.518 -0.556) 2.735 5.140 ( 1.717 -2.871 -1.899) 3.847 5.194 ( 0.047 1.829 -0.303) 1.855 5.334 ( 0.750 -0.417 -0.106) 0.864 5.407 ( -4.032 5.441 -6.617) 9.468 5.551 ( 0.050 -0.185 -1.794) 1.804 5.725 ( 0.271 0.422 2.050) 2.111 5.739 ( 1.201 2.285 -0.620) 2.655 5.784 ( 2.844 0.606 6.818) 7.412 5.918 ( -4.633 -0.957 -0.619) 4.771 6.013 ( -3.237 -0.260 2.262) 3.957 6.070 ( -1.625 1.624 5.205) 5.690 6.186 ( -3.113 0.594 0.680) 3.241 6.224 ( -0.741 2.045 0.356) 2.204 6.309 ( 8.114 -2.970 4.425) 9.707 6.463 ( 0.621 -2.441 1.984) 3.206 7.095 ( -2.231 7.357 0.869) 7.737 7.289 ( -0.179 1.734 2.591) 3.123 7.441 ( 1.753 -1.282 -0.826) 2.324 7.571 ( 2.850 -3.154 -12.854) 13.538 ======================= Grid point 9 (7/66) ======================= q-point: ( 0.29 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( 10.506 5.338 2.931) 12.143 0.718 ( 11.844 6.004 3.238) 13.668 0.998 ( 1.790 -1.045 1.513) 2.566 1.134 ( -8.121 -2.918 2.806) 9.074 1.314 ( 17.016 10.828 -1.065) 20.197 1.523 ( 4.692 3.166 2.430) 6.160 1.661 ( -2.424 4.172 1.891) 5.182 1.768 ( -0.813 -3.693 1.009) 3.914 1.861 ( -1.272 0.686 0.744) 1.625 1.917 ( 3.732 -2.857 1.313) 4.880 2.139 ( 4.444 4.477 -2.460) 6.771 2.223 ( 1.132 -1.522 1.091) 2.188 2.378 ( -5.421 0.606 2.804) 6.134 2.446 ( 1.391 -1.690 0.282) 2.207 2.539 ( -1.564 -2.365 1.595) 3.253 2.611 ( -2.647 -1.175 -0.799) 3.004 2.724 ( -2.546 -3.626 2.824) 5.254 2.868 ( -5.145 -4.550 0.030) 6.868 3.045 ( 0.771 3.139 -1.363) 3.508 3.111 ( -3.587 -0.388 1.457) 3.891 3.223 ( 0.045 -2.991 -1.733) 3.457 3.337 ( -1.378 -4.875 -4.507) 6.780 3.367 ( -8.987 3.927 0.872) 9.846 3.539 ( -3.045 5.463 2.098) 6.597 3.714 ( -1.164 6.928 -2.308) 7.395 3.879 ( -1.281 4.616 -1.682) 5.078 3.950 ( -0.553 -1.238 1.916) 2.347 4.134 ( -0.027 -2.347 -3.693) 4.376 4.187 ( 0.676 0.102 -1.588) 1.729 4.231 ( 3.802 -3.208 -4.199) 6.510 4.332 ( 0.832 -7.171 -3.868) 8.190 4.383 ( 0.204 2.666 1.138) 2.906 4.505 ( 2.629 -5.245 -0.799) 5.921 4.592 ( -0.251 -0.954 1.762) 2.019 4.655 ( -0.886 -1.804 -2.157) 2.948 4.726 ( 1.570 -0.478 0.803) 1.827 4.807 ( 1.643 -1.804 -1.474) 2.850 4.965 ( 1.801 0.061 -0.149) 1.808 5.010 ( 3.691 -0.272 -0.296) 3.713 5.045 ( -0.760 -4.868 -1.403) 5.123 5.121 ( 1.594 -0.627 0.913) 1.941 5.188 ( 4.147 -0.937 -1.733) 4.591 5.226 ( 0.618 1.043 0.925) 1.525 5.307 ( -2.280 4.824 -4.226) 6.807 5.361 ( 2.585 -0.350 -0.422) 2.643 5.568 ( 1.382 -1.640 1.099) 2.410 5.667 ( -4.492 2.026 -3.916) 6.294 5.785 ( 0.537 -1.055 1.216) 1.697 5.788 ( -2.247 4.410 -2.173) 5.405 5.891 ( 1.259 2.181 6.201) 6.693 5.982 ( -4.849 -0.301 7.003) 8.524 6.059 ( -0.710 4.890 -0.811) 5.008 6.141 ( -1.412 -0.202 -0.611) 1.552 6.206 ( -2.117 2.120 1.624) 3.408 6.433 ( 6.301 -5.669 -1.145) 8.553 6.596 ( 4.859 -9.672 8.307) 13.644 7.068 ( -0.788 9.450 1.486) 9.599 7.302 ( -0.575 0.555 2.221) 2.361 7.439 ( -1.837 1.027 -5.711) 6.086 7.503 ( 1.406 -0.766 -8.650) 8.797 ======================= Grid point 10 (8/66) ======================= q-point: ( 0.43 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 2.813 2.728 0.353) 3.934 0.894 ( 4.530 0.200 2.077) 4.987 0.990 ( -1.264 2.256 1.144) 2.828 1.088 ( 0.983 1.072 1.171) 1.867 1.424 ( -1.829 3.421 -1.552) 4.179 1.638 ( 7.339 11.081 -3.339) 13.704 1.681 ( 1.650 0.441 2.657) 3.159 1.742 ( -5.015 -0.945 3.036) 5.938 1.916 ( 4.705 -4.537 -2.129) 6.875 2.008 ( 5.618 -1.095 2.142) 6.111 2.166 ( 0.303 6.543 0.876) 6.609 2.226 ( -0.924 7.576 -0.612) 7.656 2.332 ( -3.416 -3.384 6.521) 8.102 2.466 ( -1.239 -5.799 1.076) 6.027 2.494 ( -1.011 -5.198 -3.877) 6.563 2.599 ( 0.886 -3.438 -1.840) 3.999 2.720 ( 0.397 -3.035 1.703) 3.502 2.790 ( -2.818 -4.602 1.573) 5.621 3.011 ( -4.923 -1.143 -0.434) 5.072 3.049 ( 0.318 3.722 -0.553) 3.776 3.218 ( 1.209 -3.636 -2.298) 4.468 3.248 ( -2.896 -3.333 0.184) 4.419 3.363 ( 2.733 7.135 0.427) 7.652 3.472 ( -4.645 5.202 0.667) 7.006 3.701 ( 0.586 5.903 -0.527) 5.955 3.823 ( -2.163 4.097 -1.303) 4.813 3.963 ( 0.189 -2.184 1.526) 2.671 4.117 ( 0.378 -5.294 -3.070) 6.131 4.203 ( 1.915 1.469 -1.567) 2.878 4.228 ( -1.027 -4.923 -1.122) 5.152 4.336 ( 1.332 -6.340 -1.901) 6.752 4.397 ( 0.017 4.974 1.425) 5.174 4.543 ( 1.220 -1.156 0.418) 1.732 4.597 ( -0.277 -2.366 0.992) 2.580 4.656 ( 2.274 -3.881 -2.249) 5.029 4.719 ( -2.379 -4.013 1.091) 4.791 4.811 ( 0.183 -1.800 -0.701) 1.941 4.995 ( 1.497 -2.517 -0.831) 3.044 5.027 ( -0.533 -2.084 0.034) 2.151 5.093 ( 3.602 0.083 2.550) 4.414 5.146 ( -0.017 0.139 -0.643) 0.658 5.227 ( 0.177 3.712 0.691) 3.780 5.241 ( 1.234 0.828 -0.291) 1.515 5.252 ( -0.748 3.966 -2.740) 4.878 5.411 ( 1.931 -0.768 1.256) 2.429 5.538 ( -4.474 6.703 -3.102) 8.635 5.601 ( 1.057 -3.152 0.240) 3.333 5.769 ( 1.221 -0.268 -1.122) 1.679 5.794 ( -0.867 2.325 0.589) 2.550 5.928 ( -1.901 0.265 2.536) 3.181 5.956 ( -0.889 -0.331 4.631) 4.728 6.043 ( 0.520 5.961 -2.995) 6.691 6.127 ( -0.180 1.513 0.280) 1.549 6.177 ( -1.435 1.588 0.390) 2.175 6.544 ( 5.998 -9.495 -1.829) 11.379 6.661 ( -2.807 -9.944 5.003) 11.480 7.117 ( 3.592 7.609 3.576) 9.143 7.270 ( -3.793 2.082 -2.517) 5.006 7.350 ( -0.577 3.111 -3.884) 5.010 7.497 ( 0.677 -0.752 -1.699) 1.977 ======================= Grid point 14 (9/66) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.522 ( 0.000 12.462 0.000) 12.462 0.688 ( 0.000 18.340 0.000) 18.340 0.705 ( 0.000 -4.754 0.000) 4.754 1.038 ( 0.000 -17.447 0.000) 17.447 1.280 ( 0.000 19.077 0.000) 19.077 1.558 ( 0.000 -7.759 0.000) 7.759 1.583 ( 0.000 4.736 0.000) 4.736 1.692 ( 0.000 -4.461 0.000) 4.461 1.892 ( 0.000 -1.849 0.000) 1.849 1.917 ( 0.000 -6.393 0.000) 6.393 2.105 ( 0.000 6.215 0.000) 6.215 2.146 ( 0.000 6.448 0.000) 6.448 2.414 ( 0.000 3.149 0.000) 3.149 2.549 ( 0.000 0.686 0.000) 0.686 2.553 ( 0.000 0.065 0.000) 0.065 2.631 ( 0.000 -13.944 0.000) 13.944 2.733 ( 0.000 4.870 0.000) 4.870 2.857 ( 0.000 -7.466 0.000) 7.466 3.166 ( 0.000 5.332 0.000) 5.332 3.187 ( 0.000 2.262 0.000) 2.262 3.247 ( 0.000 0.846 0.000) 0.846 3.295 ( 0.000 -5.335 0.000) 5.335 3.681 ( 0.000 2.110 0.000) 2.110 3.682 ( 0.000 3.635 0.000) 3.635 3.924 ( 0.000 1.548 0.000) 1.548 3.945 ( 0.000 2.481 0.000) 2.481 4.023 ( 0.000 4.736 0.000) 4.736 4.085 ( 0.000 -1.076 0.000) 1.076 4.143 ( 0.000 -5.635 0.000) 5.635 4.161 ( 0.000 -5.848 0.000) 5.848 4.234 ( 0.000 1.375 0.000) 1.375 4.289 ( 0.000 -2.896 0.000) 2.896 4.463 ( 0.000 3.591 0.000) 3.591 4.536 ( 0.000 -3.514 0.000) 3.514 4.716 ( 0.000 2.876 0.000) 2.876 4.728 ( 0.000 0.478 0.000) 0.478 4.762 ( 0.000 1.215 0.000) 1.215 4.847 ( 0.000 -4.192 0.000) 4.192 4.905 ( 0.000 -0.266 0.000) 0.266 4.958 ( 0.000 -3.027 0.000) 3.027 5.077 ( 0.000 0.910 0.000) 0.910 5.087 ( 0.000 -0.633 0.000) 0.633 5.297 ( 0.000 1.733 0.000) 1.733 5.314 ( 0.000 -0.126 0.000) 0.126 5.615 ( 0.000 3.930 0.000) 3.930 5.636 ( 0.000 1.972 0.000) 1.972 5.650 ( 0.000 -0.341 0.000) 0.341 5.673 ( 0.000 -1.591 0.000) 1.591 5.788 ( 0.000 1.576 0.000) 1.576 5.840 ( 0.000 -3.834 0.000) 3.834 6.047 ( 0.000 -0.175 0.000) 0.175 6.053 ( 0.000 -0.926 0.000) 0.926 6.187 ( 0.000 1.081 0.000) 1.081 6.203 ( 0.000 -0.681 0.000) 0.681 6.317 ( 0.000 4.873 0.000) 4.873 6.417 ( 0.000 -5.360 0.000) 5.360 7.266 ( 0.000 7.421 0.000) 7.421 7.346 ( 0.000 4.380 0.000) 4.380 7.372 ( 0.000 -3.663 0.000) 3.663 7.457 ( 0.000 -6.414 0.000) 6.414 ======================= Grid point 15 (10/66) ======================= q-point: ( 0.14 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( 7.789 9.554 3.316) 12.765 0.711 ( 3.823 8.489 4.768) 10.460 0.834 ( 8.001 0.908 1.346) 8.164 1.051 ( -1.012 -14.017 4.124) 14.646 1.359 ( 9.840 16.297 -3.698) 19.393 1.507 ( 0.282 1.293 -4.519) 4.709 1.679 ( 3.520 -1.380 3.248) 4.985 1.695 ( 0.898 -3.716 3.458) 5.155 1.843 ( -4.517 -0.765 1.114) 4.715 1.925 ( 1.319 -8.045 0.153) 8.154 2.120 ( -0.299 8.500 0.056) 8.505 2.163 ( 2.598 4.037 0.536) 4.830 2.418 ( 0.504 1.380 -0.853) 1.699 2.530 ( -2.584 1.970 0.845) 3.357 2.551 ( -0.534 -0.150 1.080) 1.214 2.589 ( -4.252 -12.642 1.033) 13.378 2.705 ( -3.679 4.064 0.576) 5.512 2.823 ( -3.349 -7.429 -0.084) 8.149 3.134 ( -1.666 4.100 -1.494) 4.671 3.170 ( -2.079 1.182 -0.529) 2.449 3.234 ( -1.030 0.919 -0.156) 1.389 3.285 ( -0.354 -4.400 -2.316) 4.985 3.603 ( -7.824 3.597 1.192) 8.694 3.648 ( -3.801 0.836 1.109) 4.047 3.881 ( -1.747 4.764 -1.067) 5.186 3.930 ( -0.890 0.671 -1.716) 2.046 4.035 ( 0.368 5.445 1.475) 5.653 4.105 ( 2.133 -2.109 -2.639) 3.995 4.155 ( 0.618 -3.945 -5.142) 6.510 4.181 ( 1.945 -1.077 1.868) 2.903 4.232 ( -1.313 -2.607 -2.101) 3.596 4.256 ( 1.832 -5.847 -4.172) 7.413 4.476 ( 0.448 4.105 2.308) 4.731 4.558 ( -0.003 -3.648 3.582) 5.113 4.686 ( -0.849 1.612 -3.801) 4.215 4.734 ( 0.849 -2.033 -3.591) 4.213 4.770 ( 2.757 5.008 -0.693) 5.758 4.883 ( 2.619 -3.233 0.136) 4.162 4.928 ( 1.420 -2.552 0.399) 2.948 4.961 ( 0.592 -2.626 -1.093) 2.905 5.110 ( 2.903 1.144 0.356) 3.140 5.120 ( 3.148 -0.162 -0.418) 3.179 5.251 ( -0.884 3.521 -2.847) 4.614 5.310 ( 0.019 -2.199 -1.992) 2.967 5.492 ( -3.312 3.341 -6.750) 8.228 5.537 ( -1.446 -1.342 -3.870) 4.344 5.732 ( -0.146 0.532 1.433) 1.535 5.751 ( 0.200 -1.070 1.507) 1.859 5.820 ( 1.667 3.270 9.197) 9.902 5.879 ( -0.024 -2.659 7.913) 8.348 6.024 ( -0.460 1.444 -5.117) 5.337 6.061 ( 2.282 -1.877 -4.019) 4.988 6.215 ( -1.127 2.014 7.173) 7.535 6.254 ( 1.815 -1.517 7.121) 7.504 6.296 ( -0.068 3.501 -2.060) 4.062 6.381 ( -1.954 -4.825 -1.043) 5.309 7.250 ( -1.590 7.256 1.004) 7.496 7.322 ( -1.854 0.442 2.024) 2.780 7.417 ( 3.432 -0.088 -1.650) 3.809 7.481 ( 2.941 -5.422 -4.946) 7.907 ======================= Grid point 16 (11/66) ======================= q-point: ( 0.29 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( 7.567 6.605 2.825) 10.434 0.858 ( 7.016 5.495 3.503) 9.576 0.952 ( 2.007 -1.914 3.897) 4.783 1.042 ( -2.364 -6.274 3.468) 7.549 1.494 ( 4.058 5.390 -4.023) 7.855 1.558 ( 7.122 -1.166 -1.017) 7.288 1.724 ( 2.650 2.581 1.610) 4.034 1.791 ( 1.101 2.775 -2.122) 3.663 1.799 ( 4.698 2.135 3.626) 6.307 1.994 ( 4.600 -3.901 1.237) 6.157 2.106 ( 0.265 4.550 1.163) 4.704 2.220 ( 0.813 -0.790 3.706) 3.876 2.411 ( -0.909 0.217 -0.917) 1.309 2.454 ( -5.050 0.292 -0.130) 5.060 2.516 ( -1.979 -0.854 -0.633) 2.247 2.561 ( -1.590 -3.584 0.425) 3.944 2.627 ( -4.342 0.139 4.015) 5.916 2.739 ( -6.000 -7.734 0.879) 9.828 3.101 ( -0.984 1.359 -1.377) 2.171 3.113 ( -3.892 0.220 -0.372) 3.916 3.199 ( -1.569 0.712 -2.466) 3.009 3.244 ( -2.029 -3.703 -3.216) 5.308 3.491 ( -4.169 7.718 4.276) 9.758 3.601 ( -2.576 -1.575 3.217) 4.412 3.844 ( -0.777 6.163 -3.632) 7.195 3.910 ( 0.488 -0.029 -2.161) 2.216 4.020 ( -3.569 6.316 -0.524) 7.274 4.074 ( -1.690 -2.141 -6.595) 7.137 4.110 ( -0.545 -5.054 -1.155) 5.213 4.180 ( -1.774 -6.942 -2.475) 7.580 4.247 ( 4.999 1.681 -2.309) 5.758 4.323 ( 5.931 -6.019 -1.082) 8.519 4.508 ( 0.613 4.298 3.457) 5.550 4.569 ( -0.698 -1.370 2.271) 2.742 4.656 ( -1.141 1.255 -0.589) 1.796 4.707 ( -1.035 -2.809 -3.817) 4.851 4.815 ( 2.141 3.721 -1.424) 4.522 4.920 ( 1.503 -5.157 -2.157) 5.788 4.952 ( 1.664 -1.405 0.826) 2.329 4.977 ( 2.268 -2.565 -0.510) 3.461 5.157 ( 2.148 2.344 0.314) 3.195 5.183 ( 3.345 -0.421 -0.230) 3.379 5.266 ( 2.357 2.838 0.366) 3.707 5.320 ( 2.930 -2.399 -1.581) 4.104 5.419 ( -1.356 5.349 -3.106) 6.333 5.513 ( 0.257 -4.014 -1.480) 4.286 5.701 ( -2.432 1.844 -0.727) 3.137 5.742 ( -1.507 -2.355 0.431) 2.829 5.897 ( 1.197 4.152 2.101) 4.805 5.917 ( -0.311 0.699 4.623) 4.686 5.982 ( -2.408 1.891 1.438) 3.382 6.064 ( 1.364 -4.168 -3.612) 5.681 6.227 ( -2.296 6.674 1.534) 7.223 6.264 ( -0.780 4.601 3.099) 5.602 6.324 ( 1.593 -4.866 -1.036) 5.224 6.413 ( 1.553 -8.956 8.491) 12.439 7.233 ( -0.594 6.668 0.113) 6.695 7.304 ( -1.365 -0.992 0.697) 1.826 7.448 ( 0.764 0.427 -2.288) 2.450 7.474 ( 1.417 -2.035 -5.541) 6.070 ======================= Grid point 17 (12/66) ======================= q-point: ( 0.43 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( 2.914 5.335 0.339) 6.088 0.939 ( -0.761 4.642 2.460) 5.309 0.996 ( 2.221 -2.560 1.080) 3.558 1.043 ( 0.086 -4.928 1.197) 5.071 1.514 ( 0.493 5.874 -0.895) 5.963 1.629 ( 1.511 -5.158 0.830) 5.439 1.748 ( 0.498 3.232 0.758) 3.357 1.822 ( 1.596 -4.455 -1.026) 4.842 1.947 ( 4.540 14.853 -2.360) 15.710 2.056 ( 4.409 4.574 1.903) 6.632 2.202 ( 6.331 -3.867 -0.576) 7.441 2.235 ( -1.711 -5.718 6.678) 8.957 2.340 ( -2.273 2.542 -3.190) 4.669 2.398 ( -5.416 -2.936 -0.707) 6.201 2.471 ( 0.329 6.057 -0.919) 6.135 2.546 ( -1.557 0.066 2.364) 2.831 2.597 ( 0.226 -7.548 -1.118) 7.634 2.659 ( -4.163 -8.227 4.648) 10.326 3.027 ( -3.334 1.769 -0.652) 3.830 3.069 ( -1.271 -1.856 -1.404) 2.652 3.167 ( -0.136 -0.115 -1.452) 1.463 3.191 ( -1.041 -1.797 -1.387) 2.497 3.512 ( 1.724 7.002 3.900) 8.198 3.581 ( -1.976 2.196 0.769) 3.053 3.807 ( -0.452 5.907 -2.299) 6.354 3.916 ( 0.752 1.562 -0.967) 1.986 3.949 ( -1.569 2.792 0.411) 3.229 3.994 ( -2.357 -4.885 -4.932) 7.331 4.093 ( -0.335 -5.033 -0.816) 5.110 4.149 ( -0.437 -8.988 -0.609) 9.019 4.314 ( 2.630 4.953 -0.667) 5.647 4.418 ( 3.716 -4.742 -0.012) 6.024 4.537 ( 0.162 3.544 1.885) 4.017 4.577 ( 0.467 -0.126 0.153) 0.507 4.627 ( -1.407 -0.239 -0.070) 1.429 4.650 ( -2.412 -3.148 -0.784) 4.042 4.829 ( 0.602 3.440 -0.890) 3.604 4.920 ( 0.357 -4.809 -1.317) 4.998 4.993 ( 1.364 -0.634 0.608) 1.622 5.024 ( 1.920 -3.846 0.265) 4.307 5.191 ( 0.912 2.285 0.320) 2.481 5.224 ( 1.066 -1.234 0.100) 1.634 5.312 ( 1.623 3.908 0.939) 4.335 5.364 ( 1.273 1.674 -0.780) 2.243 5.387 ( -0.119 3.060 -0.892) 3.189 5.511 ( 0.207 -5.999 -0.782) 6.053 5.651 ( -1.703 4.473 -0.754) 4.845 5.720 ( -0.703 -3.016 -0.046) 3.097 5.913 ( 2.834 4.088 -4.509) 6.714 5.939 ( -1.430 -0.753 1.818) 2.433 5.954 ( -2.429 4.938 5.303) 7.643 6.066 ( 0.517 -3.197 -0.952) 3.376 6.205 ( -0.444 3.496 0.161) 3.528 6.247 ( -0.953 4.666 -0.658) 4.808 6.365 ( 1.361 -4.923 1.201) 5.246 6.473 ( -0.290 -9.407 4.302) 10.348 7.233 ( 0.500 4.086 0.016) 4.117 7.279 ( -1.213 -0.904 -0.484) 1.589 7.424 ( -0.263 3.499 -2.095) 4.087 7.474 ( 0.584 -1.741 -1.286) 2.242 ======================= Grid point 35 (13/66) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.370 ( -2.125 0.000 15.988) 16.129 0.420 ( -3.021 0.000 19.230) 19.466 0.639 ( -8.141 0.000 26.789) 27.999 1.109 ( -2.091 0.000 11.384) 11.575 1.417 ( 2.681 0.000 3.265) 4.225 1.640 ( 6.584 0.000 4.545) 8.000 1.713 ( 2.461 0.000 -2.686) 3.643 1.719 ( -7.040 0.000 0.087) 7.041 1.855 ( -2.795 0.000 2.096) 3.494 1.862 ( -3.714 0.000 7.771) 8.612 1.962 ( 0.684 0.000 -0.714) 0.989 2.234 ( 4.095 0.000 -4.805) 6.313 2.455 ( 4.448 0.000 -3.474) 5.644 2.457 ( -2.852 0.000 -4.357) 5.207 2.498 ( 2.523 0.000 -0.382) 2.552 2.593 ( 0.169 0.000 0.437) 0.468 2.813 ( 2.851 0.000 -1.880) 3.415 2.958 ( -2.970 0.000 1.899) 3.525 3.108 ( 5.948 0.000 -3.267) 6.786 3.131 ( -4.123 0.000 -3.070) 5.141 3.213 ( 0.849 0.000 -11.719) 11.750 3.230 ( 4.172 0.000 1.125) 4.321 3.620 ( 1.004 0.000 0.656) 1.200 3.692 ( -7.103 0.000 -3.234) 7.805 3.765 ( -0.414 0.000 -0.486) 0.638 3.784 ( -4.007 0.000 -2.284) 4.612 3.928 ( -2.108 0.000 -5.458) 5.851 4.070 ( 2.239 0.000 1.014) 2.458 4.242 ( -5.203 0.000 -1.001) 5.298 4.255 ( 4.401 0.000 -2.655) 5.140 4.353 ( 3.007 0.000 0.815) 3.116 4.377 ( -8.381 0.000 1.681) 8.548 4.494 ( 0.892 0.000 2.896) 3.031 4.565 ( -2.167 0.000 -1.853) 2.851 4.649 ( 1.123 0.000 0.588) 1.268 4.680 ( -2.481 0.000 0.541) 2.539 4.812 ( 0.635 0.000 2.015) 2.113 4.875 ( -3.893 0.000 -1.451) 4.155 4.937 ( -2.480 0.000 0.340) 2.503 5.009 ( -0.306 0.000 -2.690) 2.707 5.083 ( 0.312 0.000 -2.763) 2.780 5.184 ( 0.994 0.000 -3.452) 3.592 5.287 ( -1.496 0.000 2.079) 2.562 5.322 ( -2.566 0.000 0.467) 2.608 5.345 ( -3.127 0.000 -0.521) 3.170 5.354 ( 5.696 0.000 1.888) 6.001 5.705 ( 0.332 0.000 1.563) 1.597 5.741 ( -0.313 0.000 0.270) 0.413 5.778 ( 3.821 0.000 7.223) 8.172 5.945 ( 0.069 0.000 -4.046) 4.046 6.042 ( -0.517 0.000 -0.305) 0.600 6.130 ( 5.571 0.000 2.096) 5.952 6.252 ( -4.228 0.000 2.764) 5.052 6.311 ( 1.903 0.000 -0.869) 2.092 6.360 ( 1.817 0.000 11.206) 11.352 6.570 ( 4.634 0.000 0.874) 4.715 6.988 ( 3.308 0.000 -5.353) 6.293 7.089 ( -0.552 0.000 0.617) 0.828 7.435 ( -2.005 0.000 -0.617) 2.098 7.624 ( -15.749 0.000 -2.874) 16.010 ======================= Grid point 36 (14/66) ======================= q-point: ( 0.14 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.516 ( 7.359 0.000 13.785) 15.626 0.577 ( 4.711 0.000 15.407) 16.111 0.877 ( 12.591 0.000 11.424) 17.001 1.180 ( -1.032 0.000 16.031) 16.064 1.489 ( -0.650 0.000 3.773) 3.829 1.519 ( -11.642 0.000 3.225) 12.080 1.688 ( -2.406 0.000 4.191) 4.833 1.731 ( 2.731 0.000 -4.016) 4.857 1.880 ( 3.161 0.000 1.077) 3.339 1.955 ( 5.006 0.000 4.811) 6.943 1.967 ( 0.544 0.000 -0.428) 0.692 2.274 ( 1.722 0.000 -2.271) 2.850 2.339 ( -4.213 0.000 -4.685) 6.301 2.470 ( 2.234 0.000 -3.048) 3.779 2.569 ( 2.810 0.000 2.933) 4.062 2.607 ( 1.344 0.000 -1.288) 1.862 2.839 ( -0.603 0.000 -0.850) 1.043 2.906 ( -3.573 0.000 2.211) 4.202 3.049 ( -2.449 0.000 -2.585) 3.560 3.115 ( -0.173 0.000 -10.667) 10.668 3.175 ( 2.896 0.000 -5.238) 5.986 3.285 ( 1.563 0.000 -1.020) 1.866 3.565 ( -9.427 0.000 -4.497) 10.445 3.581 ( -8.952 0.000 0.168) 8.953 3.635 ( -0.244 0.000 1.183) 1.208 3.786 ( 2.392 0.000 -0.857) 2.541 3.901 ( 2.926 0.000 -4.546) 5.406 4.120 ( -4.287 0.000 -3.321) 5.423 4.137 ( 4.752 0.000 -0.384) 4.768 4.192 ( -6.029 0.000 -3.074) 6.768 4.368 ( 3.277 0.000 2.528) 4.139 4.387 ( 0.458 0.000 -3.389) 3.420 4.488 ( -1.938 0.000 2.104) 2.860 4.588 ( 2.973 0.000 -0.378) 2.997 4.704 ( 2.833 0.000 0.966) 2.993 4.715 ( 3.242 0.000 4.382) 5.450 4.846 ( 1.054 0.000 2.166) 2.409 4.899 ( -1.078 0.000 0.406) 1.152 4.919 ( 4.917 0.000 -0.915) 5.001 5.025 ( 3.206 0.000 -2.341) 3.970 5.078 ( 2.311 0.000 -4.397) 4.967 5.191 ( 2.431 0.000 -3.836) 4.541 5.258 ( -2.356 0.000 1.102) 2.601 5.283 ( -0.298 0.000 -1.236) 1.272 5.303 ( -2.806 0.000 3.815) 4.735 5.463 ( 5.098 0.000 -1.339) 5.271 5.706 ( -2.339 0.000 -0.033) 2.340 5.736 ( -0.266 0.000 -0.050) 0.271 5.853 ( -3.812 0.000 -1.606) 4.137 5.897 ( 2.889 0.000 7.030) 7.601 6.022 ( -1.157 0.000 -1.034) 1.552 6.177 ( -3.163 0.000 1.734) 3.607 6.189 ( -3.598 0.000 1.289) 3.822 6.367 ( 4.552 0.000 -1.106) 4.685 6.399 ( -8.395 0.000 7.066) 10.973 6.648 ( 9.480 0.000 10.807) 14.376 6.980 ( -0.381 0.000 -4.512) 4.528 7.177 ( 6.333 0.000 -7.117) 9.527 7.386 ( -2.934 0.000 -1.209) 3.173 7.466 ( -3.010 0.000 1.609) 3.413 ======================= Grid point 37 (15/66) ======================= q-point: ( 0.29 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( 4.982 0.000 10.554) 11.671 0.785 ( 10.658 0.000 10.617) 15.044 1.111 ( 2.842 0.000 7.701) 8.209 1.284 ( -13.219 0.000 5.842) 14.452 1.310 ( 5.924 0.000 8.236) 10.146 1.488 ( -5.219 0.000 2.049) 5.607 1.690 ( 0.087 0.000 2.061) 2.063 1.779 ( 6.463 0.000 -5.396) 8.420 1.919 ( -2.470 0.000 0.046) 2.471 2.009 ( 5.502 0.000 1.640) 5.741 2.047 ( 1.618 0.000 3.450) 3.811 2.165 ( -7.280 0.000 -0.199) 7.283 2.362 ( 6.009 0.000 -5.688) 8.274 2.524 ( 4.280 0.000 -1.821) 4.651 2.615 ( 0.926 0.000 -2.892) 3.036 2.646 ( 2.211 0.000 5.791) 6.199 2.757 ( -6.728 0.000 3.236) 7.466 2.868 ( -1.878 0.000 -1.258) 2.260 2.981 ( -4.286 0.000 -2.879) 5.163 3.040 ( 0.994 0.000 -10.842) 10.888 3.187 ( 2.258 0.000 -4.162) 4.735 3.249 ( -10.593 0.000 -3.841) 11.267 3.309 ( -0.566 0.000 -4.014) 4.053 3.508 ( -3.647 0.000 -0.756) 3.725 3.639 ( -0.183 0.000 1.427) 1.438 3.792 ( -1.130 0.000 -1.436) 1.827 3.943 ( 3.339 0.000 -1.994) 3.889 4.061 ( 1.605 0.000 -5.595) 5.820 4.122 ( 0.642 0.000 -1.298) 1.448 4.232 ( 5.177 0.000 0.341) 5.188 4.381 ( 0.726 0.000 0.977) 1.217 4.397 ( -2.585 0.000 3.273) 4.171 4.509 ( 2.413 0.000 1.175) 2.684 4.619 ( 1.239 0.000 -1.934) 2.297 4.759 ( 1.925 0.000 1.530) 2.459 4.759 ( -0.962 0.000 2.884) 3.040 4.872 ( 0.431 0.000 1.917) 1.965 4.933 ( 2.950 0.000 0.907) 3.086 5.004 ( 4.979 0.000 -0.120) 4.981 5.063 ( 1.963 0.000 -1.003) 2.204 5.119 ( 3.885 0.000 -1.122) 4.044 5.185 ( -0.805 0.000 -2.029) 2.183 5.222 ( -2.180 0.000 0.092) 2.182 5.290 ( -2.129 0.000 5.411) 5.814 5.322 ( 5.387 0.000 -2.489) 5.935 5.479 ( -3.154 0.000 -4.249) 5.292 5.641 ( -1.557 0.000 1.597) 2.230 5.732 ( -0.011 0.000 -0.121) 0.121 5.822 ( -0.082 0.000 -0.417) 0.425 5.959 ( -0.858 0.000 -0.045) 0.859 5.999 ( -0.312 0.000 3.505) 3.519 6.087 ( -7.337 0.000 3.035) 7.940 6.147 ( -1.885 0.000 1.799) 2.606 6.302 ( -6.715 0.000 5.829) 8.893 6.460 ( 7.240 0.000 -3.233) 7.929 6.908 ( -3.976 0.000 -4.029) 5.661 6.927 ( 10.749 0.000 8.457) 13.677 7.148 ( -1.233 0.000 -10.624) 10.695 7.351 ( -0.797 0.000 2.433) 2.560 7.473 ( 1.528 0.000 1.695) 2.282 ======================= Grid point 38 (16/66) ======================= q-point: ( 0.43 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( -0.860 0.000 5.557) 5.623 0.988 ( 0.877 0.000 8.120) 8.167 1.139 ( -3.930 0.000 10.702) 11.401 1.144 ( -8.187 0.000 7.461) 11.077 1.394 ( -3.634 0.000 2.490) 4.405 1.470 ( 8.471 0.000 -1.900) 8.681 1.670 ( -2.600 0.000 -2.960) 3.940 1.824 ( -6.218 0.000 -0.087) 6.218 1.883 ( 9.422 0.000 -8.181) 12.478 2.053 ( -2.730 0.000 0.891) 2.872 2.104 ( 0.367 0.000 3.392) 3.411 2.123 ( 2.712 0.000 1.435) 3.069 2.427 ( 5.532 0.000 -6.469) 8.512 2.442 ( -13.670 0.000 2.400) 13.879 2.601 ( 0.579 0.000 -4.176) 4.216 2.716 ( 3.970 0.000 0.214) 3.975 2.744 ( -3.551 0.000 9.434) 10.080 2.816 ( -2.369 0.000 -1.862) 3.013 2.893 ( 2.213 0.000 -5.540) 5.965 2.991 ( 0.909 0.000 -8.728) 8.775 3.083 ( -1.589 0.000 -4.737) 4.996 3.209 ( 3.538 0.000 -4.519) 5.739 3.306 ( 1.119 0.000 -3.934) 4.090 3.446 ( -1.555 0.000 -0.979) 1.838 3.642 ( -0.936 0.000 1.410) 1.692 3.767 ( 0.366 0.000 -0.375) 0.524 3.964 ( 0.037 0.000 -0.793) 0.793 4.098 ( 5.530 0.000 -4.968) 7.434 4.161 ( 2.570 0.000 0.735) 2.673 4.335 ( 4.824 0.000 4.256) 6.434 4.354 ( -3.198 0.000 0.904) 3.324 4.420 ( 1.167 0.000 2.571) 2.824 4.546 ( 0.309 0.000 1.610) 1.639 4.607 ( -1.075 0.000 -1.259) 1.655 4.760 ( -0.449 0.000 0.644) 0.785 4.802 ( 1.148 0.000 2.844) 3.067 4.905 ( 0.737 0.000 4.102) 4.168 4.962 ( 0.298 0.000 -1.434) 1.465 5.072 ( 0.170 0.000 0.910) 0.926 5.102 ( 2.594 0.000 0.873) 2.736 5.153 ( -1.960 0.000 1.459) 2.444 5.170 ( 1.754 0.000 -0.346) 1.788 5.205 ( 1.753 0.000 -0.071) 1.755 5.299 ( -1.003 0.000 4.532) 4.641 5.344 ( -4.340 0.000 -5.109) 6.704 5.404 ( 4.200 0.000 -2.927) 5.119 5.663 ( 0.550 0.000 2.867) 2.919 5.732 ( 0.054 0.000 -0.363) 0.367 5.814 ( -0.347 0.000 -1.083) 1.137 5.901 ( -2.774 0.000 -3.420) 4.404 5.981 ( -5.724 0.000 2.899) 6.416 6.027 ( -0.486 0.000 3.620) 3.652 6.150 ( -0.096 0.000 3.473) 3.475 6.234 ( -4.489 0.000 4.116) 6.090 6.583 ( 9.211 0.000 -5.136) 10.546 6.781 ( -6.510 0.000 -3.810) 7.543 6.978 ( -4.300 0.000 -9.723) 10.631 7.178 ( 6.388 0.000 3.163) 7.128 7.385 ( 1.662 0.000 6.486) 6.696 7.531 ( 2.224 0.000 4.052) 4.622 ======================= Grid point 39 (17/66) ======================= q-point: (-0.43 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( -4.474 0.000 4.164) 6.112 0.893 ( -12.304 0.000 1.802) 12.436 1.016 ( -6.312 0.000 3.475) 7.205 1.152 ( -5.370 0.000 11.642) 12.820 1.458 ( 4.871 0.000 4.818) 6.851 1.559 ( -2.114 0.000 -0.364) 2.146 1.575 ( -3.144 0.000 -3.776) 4.914 1.760 ( 2.229 0.000 -0.100) 2.231 1.945 ( -8.291 0.000 -4.707) 9.534 2.023 ( -0.612 0.000 -1.565) 1.681 2.035 ( -0.672 0.000 2.423) 2.514 2.143 ( 1.740 0.000 0.385) 1.782 2.292 ( -2.753 0.000 0.953) 2.913 2.464 ( 3.071 0.000 -5.513) 6.311 2.591 ( 1.280 0.000 -2.546) 2.849 2.682 ( -4.848 0.000 0.498) 4.873 2.700 ( -4.427 0.000 -2.206) 4.946 2.858 ( 2.511 0.000 2.167) 3.317 2.937 ( 8.138 0.000 -2.586) 8.539 2.944 ( 1.439 0.000 -9.409) 9.518 3.156 ( 8.818 0.000 -0.476) 8.831 3.245 ( 3.832 0.000 -5.065) 6.351 3.303 ( 2.616 0.000 -4.157) 4.912 3.447 ( 2.228 0.000 -0.345) 2.254 3.629 ( -1.268 0.000 1.452) 1.928 3.800 ( 2.456 0.000 0.030) 2.456 3.947 ( -0.607 0.000 -1.494) 1.613 4.155 ( 3.431 0.000 -3.142) 4.652 4.193 ( -0.737 0.000 2.315) 2.429 4.315 ( -0.452 0.000 -0.460) 0.646 4.427 ( -2.412 0.000 3.214) 4.018 4.468 ( 4.387 0.000 2.986) 5.307 4.554 ( -0.396 0.000 1.633) 1.680 4.577 ( -1.119 0.000 0.278) 1.153 4.742 ( -1.931 0.000 1.065) 2.205 4.831 ( -0.833 0.000 3.375) 3.476 4.936 ( -1.368 0.000 -0.691) 1.532 4.937 ( -2.278 0.000 6.260) 6.661 5.053 ( -2.254 0.000 1.770) 2.866 5.128 ( -0.021 0.000 -0.421) 0.422 5.139 ( 1.558 0.000 0.267) 1.581 5.224 ( 0.976 0.000 -0.418) 1.061 5.242 ( 0.928 0.000 2.258) 2.441 5.284 ( 2.721 0.000 -3.917) 4.769 5.310 ( -1.148 0.000 4.022) 4.182 5.426 ( 1.616 0.000 -8.165) 8.323 5.707 ( 1.606 0.000 7.048) 7.229 5.725 ( -0.377 0.000 -1.115) 1.177 5.796 ( -0.520 0.000 -1.606) 1.688 5.823 ( -2.898 0.000 -3.009) 4.177 5.926 ( -2.609 0.000 2.041) 3.313 6.038 ( -0.310 0.000 1.857) 1.883 6.182 ( 0.340 0.000 4.370) 4.384 6.198 ( -2.025 0.000 2.883) 3.523 6.623 ( -7.248 0.000 -3.173) 7.912 6.720 ( 9.673 0.000 -6.503) 11.656 6.797 ( -7.980 0.000 -8.343) 11.545 7.248 ( 1.367 0.000 -1.435) 1.982 7.494 ( 2.059 0.000 7.166) 7.456 7.621 ( 3.702 0.000 8.774) 9.523 ======================= Grid point 40 (18/66) ======================= q-point: (-0.29 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( -16.237 0.000 0.703) 16.252 0.680 ( -16.326 0.000 7.742) 18.069 1.113 ( 11.641 0.000 0.065) 11.641 1.115 ( -6.055 0.000 9.680) 11.417 1.306 ( -26.439 0.000 9.702) 28.163 1.451 ( -3.317 0.000 -0.333) 3.333 1.643 ( 5.343 0.000 5.030) 7.338 1.738 ( -4.205 0.000 -1.571) 4.489 1.872 ( 5.315 0.000 0.264) 5.322 2.039 ( -2.466 0.000 3.841) 4.564 2.070 ( 0.054 0.000 -0.656) 0.658 2.169 ( 3.087 0.000 -5.100) 5.961 2.278 ( 3.052 0.000 -3.792) 4.868 2.472 ( 1.001 0.000 -1.249) 1.600 2.526 ( -4.862 0.000 -4.215) 6.434 2.604 ( 1.064 0.000 -1.100) 1.531 2.716 ( 2.992 0.000 -0.626) 3.057 2.907 ( 3.527 0.000 -0.975) 3.660 2.930 ( 5.181 0.000 -9.765) 11.054 3.045 ( 3.141 0.000 0.218) 3.148 3.269 ( 3.186 0.000 -6.578) 7.309 3.310 ( -0.200 0.000 -1.041) 1.060 3.387 ( 14.834 0.000 1.548) 14.915 3.542 ( 8.345 0.000 -0.647) 8.370 3.617 ( -1.033 0.000 0.894) 1.366 3.825 ( 0.134 0.000 -0.860) 0.870 3.931 ( 0.515 0.000 -2.040) 2.104 4.170 ( 0.137 0.000 -2.546) 2.550 4.184 ( -0.645 0.000 1.098) 1.273 4.340 ( 2.462 0.000 1.439) 2.851 4.370 ( -5.580 0.000 2.802) 6.244 4.481 ( -1.708 0.000 -3.300) 3.716 4.553 ( -1.650 0.000 2.286) 2.819 4.595 ( 1.154 0.000 1.468) 1.867 4.709 ( -2.749 0.000 0.614) 2.817 4.817 ( -2.318 0.000 1.715) 2.884 4.895 ( -6.272 0.000 4.631) 7.796 4.957 ( 1.604 0.000 5.469) 5.699 5.038 ( -0.430 0.000 3.524) 3.550 5.133 ( -0.698 0.000 0.508) 0.863 5.154 ( 0.955 0.000 -5.010) 5.101 5.203 ( -1.374 0.000 0.139) 1.381 5.269 ( 0.618 0.000 1.089) 1.252 5.306 ( -1.014 0.000 -5.755) 5.843 5.339 ( 1.188 0.000 5.147) 5.282 5.386 ( 3.810 0.000 -7.919) 8.787 5.696 ( -1.434 0.000 -1.994) 2.456 5.765 ( -1.578 0.000 -0.677) 1.717 5.772 ( -0.622 0.000 -0.047) 0.623 5.813 ( 1.150 0.000 2.162) 2.449 5.917 ( 1.596 0.000 6.821) 7.006 6.044 ( -0.103 0.000 1.002) 1.007 6.203 ( 0.328 0.000 2.679) 2.699 6.220 ( 0.232 0.000 4.414) 4.420 6.474 ( -6.404 0.000 -2.423) 6.847 6.576 ( -10.222 0.000 -4.698) 11.250 6.844 ( 8.712 0.000 -6.731) 11.009 7.237 ( -0.916 0.000 -2.277) 2.454 7.519 ( -2.323 0.000 2.809) 3.646 7.788 ( 5.579 0.000 9.416) 10.944 ======================= Grid point 41 (19/66) ======================= q-point: (-0.14 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.376 ( -12.666 0.000 11.051) 16.809 0.462 ( -14.153 0.000 13.950) 19.872 0.867 ( -29.319 0.000 18.807) 34.832 1.090 ( -3.901 0.000 9.229) 10.019 1.335 ( 8.295 0.000 0.130) 8.297 1.450 ( 4.988 0.000 3.772) 6.253 1.699 ( -0.123 0.000 -0.820) 0.829 1.739 ( 1.125 0.000 4.149) 4.299 1.936 ( 1.066 0.000 0.513) 1.183 1.968 ( -8.438 0.000 4.764) 9.690 1.975 ( -7.883 0.000 0.477) 7.898 2.196 ( 4.448 0.000 -6.513) 7.887 2.358 ( 7.988 0.000 -5.394) 9.639 2.477 ( 1.109 0.000 -2.117) 2.390 2.487 ( 1.218 0.000 -1.531) 1.956 2.602 ( -0.820 0.000 0.026) 0.820 2.772 ( 3.631 0.000 -2.211) 4.251 2.961 ( 1.994 0.000 -0.334) 2.022 3.001 ( 8.421 0.000 -6.626) 10.715 3.113 ( 4.703 0.000 1.093) 4.828 3.252 ( -4.365 0.000 -1.562) 4.636 3.262 ( 2.013 0.000 -8.936) 9.160 3.607 ( -0.216 0.000 0.326) 0.391 3.667 ( 11.877 0.000 -2.913) 12.229 3.716 ( 9.604 0.000 2.969) 10.053 3.798 ( -2.001 0.000 -0.690) 2.116 3.943 ( 2.685 0.000 -3.224) 4.196 4.110 ( -4.685 0.000 -2.163) 5.160 4.200 ( 2.490 0.000 -1.302) 2.810 4.299 ( -3.000 0.000 2.241) 3.745 4.399 ( -5.142 0.000 -1.576) 5.378 4.416 ( 3.479 0.000 3.154) 4.695 4.507 ( -5.561 0.000 2.298) 6.017 4.620 ( 1.665 0.000 -2.398) 2.919 4.653 ( -2.570 0.000 -1.357) 2.907 4.771 ( -5.054 0.000 -0.397) 5.070 4.808 ( -3.330 0.000 3.428) 4.779 4.974 ( -2.062 0.000 1.624) 2.625 5.072 ( -3.116 0.000 -3.603) 4.764 5.106 ( -1.446 0.000 -0.665) 1.591 5.122 ( -1.919 0.000 -9.324) 9.519 5.198 ( 0.380 0.000 -1.870) 1.908 5.206 ( 1.688 0.000 -0.741) 1.843 5.285 ( -0.202 0.000 2.207) 2.216 5.387 ( 0.078 0.000 0.444) 0.451 5.400 ( -1.914 0.000 -0.996) 2.158 5.683 ( 0.854 0.000 3.541) 3.642 5.729 ( -4.902 0.000 -0.261) 4.909 5.748 ( -0.406 0.000 -0.018) 0.407 5.817 ( 4.977 0.000 4.035) 6.407 6.047 ( -0.166 0.000 0.367) 0.403 6.086 ( 4.894 0.000 4.751) 6.821 6.252 ( 2.679 0.000 6.861) 7.365 6.254 ( -0.080 0.000 4.456) 4.457 6.357 ( -4.493 0.000 -1.964) 4.904 6.413 ( -3.320 0.000 4.136) 5.303 6.938 ( 6.454 0.000 -6.250) 8.984 7.182 ( -3.345 0.000 -2.948) 4.459 7.479 ( -2.925 0.000 0.934) 3.070 7.888 ( -0.688 0.000 -4.084) 4.141 ======================= Grid point 42 (20/66) ======================= q-point: ( 0.00 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.382 ( -0.885 6.883 11.565) 13.487 0.461 ( 2.285 7.758 12.621) 14.990 0.820 ( -7.412 7.280 14.546) 17.875 1.169 ( -1.951 7.665 13.239) 15.421 1.330 ( 3.415 -9.405 2.452) 10.301 1.623 ( -2.931 -4.691 4.501) 7.131 1.679 ( 0.137 1.177 3.733) 3.917 1.746 ( -0.270 1.192 1.944) 2.296 1.844 ( 0.870 -0.154 -3.531) 3.640 1.947 ( -1.449 6.411 3.171) 7.298 1.967 ( -0.614 4.614 0.109) 4.656 2.185 ( 0.192 -6.430 1.286) 6.560 2.391 ( 1.000 -1.127 -3.647) 3.946 2.513 ( 1.404 2.226 -1.126) 2.863 2.530 ( 2.026 0.961 -1.813) 2.883 2.636 ( 2.541 2.719 -2.160) 4.303 2.837 ( 3.018 -2.128 -0.965) 3.817 2.957 ( -1.512 -0.305 -2.439) 2.886 3.047 ( -0.899 -5.495 -2.695) 6.186 3.094 ( 2.549 1.592 -2.680) 4.027 3.173 ( 1.288 -0.098 -4.951) 5.116 3.325 ( -0.571 1.626 -6.167) 6.403 3.600 ( 2.948 0.152 0.196) 2.958 3.668 ( -5.607 -0.428 1.130) 5.736 3.814 ( 1.477 4.778 -3.976) 6.389 3.857 ( -4.142 4.517 -1.340) 6.273 3.946 ( 0.553 1.933 -3.812) 4.310 4.071 ( 0.482 0.800 0.073) 0.936 4.182 ( -4.823 -4.937 -1.680) 7.103 4.222 ( 3.919 -3.525 -2.709) 5.926 4.282 ( 0.275 -6.372 -1.204) 6.491 4.362 ( -4.630 -3.587 1.412) 6.025 4.491 ( -1.004 1.880 4.458) 4.941 4.586 ( 0.900 0.851 0.505) 1.338 4.668 ( -1.176 1.296 1.399) 2.240 4.689 ( -0.378 1.487 -0.788) 1.725 4.766 ( -3.719 -1.719 0.384) 4.115 4.862 ( -0.916 -0.729 0.159) 1.182 4.960 ( -1.075 0.106 -1.924) 2.206 5.019 ( 0.128 -3.224 -0.562) 3.275 5.054 ( -0.035 1.260 -0.314) 1.299 5.103 ( -1.044 -3.977 -3.242) 5.236 5.179 ( 0.471 -1.665 -1.956) 2.611 5.310 ( 0.209 -1.005 -0.228) 1.051 5.409 ( -2.553 4.044 -2.265) 5.292 5.534 ( -1.645 4.373 -0.419) 4.690 5.708 ( 2.487 1.426 1.436) 3.207 5.743 ( -0.889 0.680 -0.220) 1.140 5.829 ( 4.003 3.885 7.610) 9.435 5.948 ( 3.673 -0.799 -2.799) 4.687 5.982 ( -2.357 -2.723 -1.064) 3.755 6.140 ( -0.257 -4.163 2.484) 4.855 6.216 ( 0.146 1.907 2.921) 3.491 6.313 ( 0.762 1.145 5.110) 5.292 6.362 ( 0.644 -0.135 9.975) 9.997 6.529 ( -0.012 -3.882 1.487) 4.157 7.061 ( 2.873 6.703 -5.346) 9.042 7.187 ( 3.633 6.116 -4.310) 8.317 7.421 ( -1.772 -1.414 -0.304) 2.287 7.560 ( -8.837 -5.376 -1.333) 10.429 ======================= Grid point 43 (21/66) ======================= q-point: ( 0.14 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( 9.573 6.763 8.332) 14.380 0.665 ( 7.079 6.521 11.905) 15.308 0.922 ( 8.087 2.304 8.360) 11.857 1.249 ( -1.008 6.265 14.610) 15.928 1.426 ( -0.814 -8.054 5.846) 9.985 1.485 ( -5.453 -3.016 1.341) 6.375 1.713 ( -0.546 0.385 1.666) 1.795 1.762 ( -0.716 5.515 -0.697) 5.604 1.835 ( 1.018 -4.104 -1.493) 4.484 1.974 ( 0.232 4.894 5.413) 7.301 2.013 ( 4.306 3.383 -0.295) 5.484 2.198 ( 0.610 -4.867 1.240) 5.059 2.372 ( -0.393 1.828 -3.504) 3.971 2.519 ( -1.500 1.084 0.884) 2.051 2.540 ( 2.144 1.256 0.305) 2.504 2.666 ( 1.258 2.178 -2.053) 3.247 2.825 ( -5.449 -6.457 2.148) 8.718 2.905 ( -0.141 3.633 -3.602) 5.118 2.998 ( -0.951 -4.409 -2.824) 5.322 3.096 ( 0.702 -0.211 -4.990) 5.044 3.166 ( 1.722 -1.079 -6.245) 6.568 3.269 ( -0.685 -2.197 -4.990) 5.495 3.564 ( -9.860 1.259 -1.224) 10.016 3.591 ( -2.291 2.829 0.753) 3.718 3.721 ( -3.679 5.940 -2.102) 7.297 3.837 ( 2.350 3.892 -2.188) 5.046 3.929 ( 1.053 2.706 -3.764) 4.753 4.069 ( -3.240 -4.471 -3.508) 6.542 4.119 ( 3.645 -1.101 -1.147) 3.976 4.197 ( -3.948 -0.419 -3.628) 5.378 4.285 ( 1.335 -7.068 -0.299) 7.199 4.371 ( 3.558 -3.591 1.855) 5.385 4.500 ( -1.282 1.586 3.011) 3.636 4.585 ( -0.208 1.768 -0.056) 1.781 4.672 ( -0.771 -3.137 -0.078) 3.231 4.736 ( 3.274 -0.608 4.024) 5.223 4.769 ( 2.233 -2.047 1.606) 3.428 4.913 ( 4.710 -0.489 0.164) 4.738 4.938 ( -0.062 1.037 -1.848) 2.120 5.029 ( 2.055 -4.007 -1.655) 4.798 5.073 ( 2.124 0.092 -1.107) 2.397 5.088 ( 2.087 -1.904 -1.244) 3.087 5.209 ( 4.420 -0.880 -2.984) 5.405 5.293 ( -1.732 -0.818 2.204) 2.920 5.351 ( -3.071 3.137 -0.224) 4.396 5.534 ( 1.214 1.815 0.296) 2.204 5.706 ( -2.469 1.161 -0.771) 2.836 5.758 ( 1.342 1.586 0.006) 2.077 5.849 ( -5.273 0.031 -2.239) 5.729 5.946 ( 2.912 3.579 4.921) 6.746 5.995 ( -0.320 -1.981 -0.131) 2.011 6.151 ( -1.208 -3.642 1.938) 4.299 6.199 ( -2.602 2.086 -0.192) 3.341 6.366 ( 1.350 1.121 4.825) 5.134 6.386 ( -6.442 -1.554 4.446) 7.980 6.605 ( 7.137 -4.044 10.655) 13.447 7.052 ( 0.566 6.880 -4.842) 8.432 7.251 ( 5.253 5.133 -7.348) 10.390 7.380 ( -2.618 -0.852 -1.516) 3.143 7.452 ( -2.381 -1.569 0.625) 2.919 ======================= Grid point 44 (22/66) ======================= q-point: ( 0.29 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( 8.259 3.681 7.098) 11.495 0.870 ( 6.663 6.366 10.655) 14.087 1.111 ( 2.630 -0.368 7.667) 8.114 1.249 ( -10.512 -2.061 7.252) 12.936 1.370 ( 2.989 3.668 4.987) 6.874 1.549 ( 1.339 3.694 1.168) 4.099 1.697 ( -1.047 0.613 0.087) 1.216 1.760 ( 3.160 -1.386 -2.527) 4.277 1.835 ( -0.268 -5.342 -1.889) 5.673 2.015 ( -0.345 3.531 5.767) 6.772 2.083 ( 4.349 0.189 -1.887) 4.745 2.220 ( 0.072 3.611 -0.026) 3.611 2.345 ( 1.497 1.385 -3.282) 3.864 2.492 ( -1.976 -3.715 -1.452) 4.451 2.593 ( 0.216 1.391 -0.203) 1.423 2.642 ( -2.981 -2.687 8.121) 9.058 2.747 ( -2.473 -5.696 0.275) 6.216 2.877 ( -1.524 3.328 -1.318) 3.891 2.970 ( 0.436 -0.787 -4.774) 4.858 3.064 ( -0.196 1.556 -5.895) 6.100 3.131 ( -1.622 -3.592 -5.067) 6.419 3.233 ( -0.035 -5.714 -3.676) 6.794 3.347 ( -6.309 7.576 -4.419) 10.804 3.532 ( -4.097 2.377 -2.916) 5.562 3.693 ( 0.396 4.562 0.699) 4.632 3.839 ( -1.330 4.017 -1.296) 4.426 3.933 ( 1.868 -0.770 -2.496) 3.211 4.011 ( 0.980 -4.336 -4.815) 6.553 4.145 ( 1.350 0.715 -1.738) 2.313 4.207 ( 4.591 -1.327 0.705) 4.831 4.302 ( 0.483 -6.671 1.600) 6.878 4.446 ( -0.019 2.296 4.046) 4.652 4.502 ( 2.307 -1.470 -0.424) 2.768 4.596 ( 0.795 -1.167 -0.217) 1.428 4.645 ( -1.875 -4.025 1.691) 4.752 4.788 ( 0.846 -3.523 1.075) 3.779 4.821 ( -0.014 -0.543 3.182) 3.228 4.941 ( 2.124 -1.307 -1.170) 2.755 5.001 ( 3.434 -1.628 0.910) 3.907 5.074 ( 2.507 -2.643 1.905) 4.111 5.109 ( 2.906 0.570 -1.750) 3.440 5.153 ( 4.874 2.420 -0.933) 5.521 5.257 ( -0.571 2.994 -0.927) 3.185 5.292 ( -1.268 0.268 3.726) 3.945 5.323 ( 3.719 0.009 -1.445) 3.990 5.548 ( -1.541 3.258 -2.245) 4.246 5.624 ( -3.566 -0.658 0.027) 3.626 5.749 ( -0.905 1.736 -0.715) 2.085 5.794 ( -0.304 -1.908 -0.556) 2.010 5.951 ( -1.340 -1.720 -3.511) 4.133 6.024 ( -0.528 1.943 4.927) 5.323 6.110 ( -3.662 1.390 2.150) 4.469 6.167 ( -0.827 2.102 1.255) 2.584 6.296 ( -5.863 -0.639 3.839) 7.037 6.429 ( 2.786 -1.263 1.762) 3.530 6.779 ( 0.763 -7.327 7.512) 10.521 7.049 ( 3.896 6.893 -2.755) 8.383 7.216 ( -0.668 4.696 -10.801) 11.796 7.352 ( -0.277 0.283 2.688) 2.717 7.460 ( 1.671 -1.336 0.915) 2.327 ======================= Grid point 45 (23/66) ======================= q-point: ( 0.43 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( -1.420 2.918 5.649) 6.515 1.030 ( 0.766 3.427 9.086) 9.741 1.079 ( -8.466 -1.307 7.329) 11.274 1.202 ( -2.474 0.848 8.368) 8.767 1.417 ( -0.724 1.748 0.982) 2.132 1.572 ( 4.592 8.922 -2.660) 10.381 1.680 ( -1.199 0.461 -2.545) 2.851 1.775 ( -2.791 -2.668 -1.225) 4.051 1.835 ( 5.150 -3.456 -5.426) 8.241 2.058 ( 1.269 0.995 3.190) 3.574 2.139 ( 2.692 1.837 -2.176) 3.919 2.207 ( -0.501 6.666 -0.343) 6.694 2.373 ( 0.249 -6.098 -4.796) 7.761 2.407 ( -3.939 -4.502 -0.556) 6.008 2.503 ( -5.305 0.483 1.634) 5.572 2.715 ( -1.209 -4.013 8.787) 9.735 2.732 ( 0.882 -4.692 1.112) 4.902 2.816 ( -4.264 2.107 -0.503) 4.783 2.941 ( -2.338 -1.757 -6.591) 7.211 2.976 ( 1.694 5.169 -3.950) 6.722 3.119 ( 4.427 -0.218 -5.844) 7.334 3.218 ( 1.357 -2.935 -2.650) 4.181 3.312 ( 3.980 5.427 -6.214) 9.160 3.419 ( -4.149 0.067 -4.337) 6.003 3.718 ( 0.694 5.382 1.568) 5.648 3.810 ( -0.041 4.414 0.138) 4.416 3.931 ( -0.473 -2.264 -1.582) 2.802 4.051 ( 5.687 -4.608 -3.699) 8.201 4.183 ( 2.781 0.072 0.103) 2.784 4.289 ( 1.139 -2.690 4.762) 5.587 4.328 ( 1.721 -5.861 0.817) 6.163 4.432 ( -2.099 4.352 1.240) 4.988 4.548 ( 0.837 -1.406 0.172) 1.646 4.593 ( -0.600 -1.071 -0.278) 1.258 4.661 ( 1.317 -5.667 3.874) 6.989 4.810 ( -2.105 -4.823 4.822) 7.138 4.820 ( 0.627 -0.011 1.291) 1.435 4.985 ( 2.451 -2.375 -0.232) 3.421 5.024 ( -1.042 -2.136 0.444) 2.418 5.117 ( -0.834 0.076 -1.200) 1.463 5.150 ( 2.769 0.227 1.728) 3.272 5.220 ( 0.606 3.739 -0.469) 3.817 5.241 ( 2.096 3.620 1.202) 4.352 5.304 ( -0.458 1.042 3.657) 3.830 5.391 ( 0.801 -0.480 -1.442) 1.718 5.449 ( -0.103 7.746 -5.448) 9.470 5.629 ( 0.598 -3.402 2.913) 4.518 5.746 ( 0.781 -0.674 -0.321) 1.081 5.782 ( -0.207 -0.222 -1.807) 1.832 5.891 ( -2.036 -1.121 -4.174) 4.778 5.980 ( -4.595 0.651 1.233) 4.802 6.117 ( 0.098 4.073 4.730) 6.243 6.159 ( -1.868 3.196 1.988) 4.202 6.235 ( -3.327 0.106 3.917) 5.141 6.489 ( 3.792 -6.806 -2.633) 8.224 6.727 ( -7.018 -5.195 0.355) 8.739 7.070 ( -0.531 6.929 -7.863) 10.494 7.206 ( 4.690 2.272 -0.471) 5.233 7.393 ( 1.967 0.824 5.349) 5.758 7.511 ( 2.288 -1.920 2.771) 4.074 ======================= Grid point 46 (24/66) ======================= q-point: (-0.43 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( -5.421 2.845 3.709) 7.158 0.935 ( -12.136 1.200 4.399) 12.965 1.004 ( -5.030 1.077 2.240) 5.611 1.189 ( -5.412 0.808 10.170) 11.548 1.461 ( 1.701 0.661 0.813) 1.998 1.589 ( -0.365 1.484 -2.930) 3.305 1.679 ( 3.767 2.333 -2.689) 5.183 1.712 ( -2.783 6.020 1.610) 6.825 1.891 ( 3.821 -6.238 -6.569) 9.832 2.001 ( -15.143 2.580 5.379) 16.276 2.131 ( 0.859 2.660 -1.672) 3.257 2.161 ( 1.419 1.763 -1.667) 2.811 2.318 ( 0.297 2.934 1.323) 3.232 2.435 ( 2.951 -1.067 -2.212) 3.839 2.496 ( 3.586 -5.741 -2.672) 7.277 2.657 ( -7.065 -3.047 -0.451) 7.707 2.703 ( -4.805 -3.495 0.518) 5.964 2.790 ( 2.895 -4.220 1.214) 5.260 2.957 ( 5.651 0.746 -3.919) 6.917 3.002 ( 3.759 4.940 -4.055) 7.414 3.181 ( 6.566 1.210 -3.857) 7.710 3.236 ( 1.351 -2.573 -0.479) 2.946 3.354 ( 0.080 -1.609 -1.179) 1.997 3.364 ( 6.884 3.498 -8.745) 11.666 3.734 ( 0.115 7.182 1.804) 7.406 3.843 ( 2.516 4.234 0.011) 4.925 3.912 ( -0.069 -2.044 -1.443) 2.503 4.123 ( 3.879 -3.125 -2.130) 5.417 4.213 ( -0.837 0.715 0.618) 1.262 4.309 ( 0.566 -8.321 1.754) 8.522 4.376 ( 0.594 1.467 0.881) 1.811 4.405 ( -1.856 -1.640 2.188) 3.304 4.543 ( -1.146 -3.132 -0.364) 3.355 4.594 ( -0.107 0.259 3.441) 3.452 4.691 ( -0.419 -3.995 2.986) 5.006 4.811 ( -2.321 1.078 4.828) 5.464 4.858 ( 0.830 -5.029 4.803) 7.003 4.985 ( -1.176 0.248 -1.304) 1.773 5.019 ( 0.344 -2.527 -0.040) 2.550 5.090 ( -1.699 -2.298 1.608) 3.279 5.154 ( -2.548 2.002 1.144) 3.436 5.231 ( 0.365 1.787 -0.524) 1.898 5.263 ( -1.451 0.003 1.203) 1.885 5.333 ( 1.193 3.780 2.844) 4.878 5.355 ( 0.165 2.151 -2.539) 3.332 5.474 ( 3.649 5.040 -6.145) 8.745 5.678 ( 1.824 -2.262 3.635) 4.654 5.753 ( 0.462 -3.003 -1.928) 3.598 5.777 ( 1.382 3.747 -0.341) 4.009 5.822 ( -2.087 -0.066 -3.434) 4.019 5.921 ( -2.627 0.293 1.326) 2.958 6.118 ( -2.632 6.154 2.285) 7.073 6.158 ( 0.459 -1.055 2.294) 2.566 6.229 ( -1.171 2.141 4.670) 5.269 6.518 ( 1.682 -10.790 -4.397) 11.772 6.580 ( -7.713 -4.694 -1.870) 9.220 7.003 ( -0.109 11.594 -6.531) 13.307 7.259 ( 1.497 0.929 -1.375) 2.235 7.483 ( 1.668 -1.000 5.227) 5.577 7.590 ( 3.363 -3.059 6.554) 7.976 ======================= Grid point 47 (25/66) ======================= q-point: (-0.29 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( -14.751 5.864 0.093) 15.874 0.719 ( -14.961 3.241 6.175) 16.507 1.016 ( 1.448 -4.739 1.704) 5.240 1.182 ( -1.266 -0.929 7.809) 7.965 1.414 ( -6.018 5.868 2.224) 8.695 1.474 ( -15.984 7.219 4.053) 18.001 1.663 ( -0.739 1.172 1.923) 2.370 1.755 ( 5.667 -3.738 0.539) 6.810 1.836 ( 0.545 6.532 0.264) 6.560 1.945 ( -1.510 -6.370 1.987) 6.841 2.130 ( 1.297 -1.264 -4.153) 4.530 2.187 ( -1.355 1.212 0.417) 1.865 2.330 ( 2.576 7.451 -1.546) 8.034 2.460 ( 0.526 -1.367 -0.682) 1.616 2.505 ( -1.252 -1.263 -2.229) 2.852 2.587 ( 2.967 -1.904 -3.244) 4.791 2.680 ( 2.054 -4.883 0.343) 5.308 2.859 ( 5.166 -3.870 -2.637) 6.973 2.993 ( 3.795 4.754 -5.546) 8.232 3.046 ( 2.124 1.770 -2.590) 3.789 3.243 ( -0.411 -3.220 0.470) 3.280 3.355 ( 6.824 -3.589 -2.662) 8.157 3.368 ( 8.254 1.320 -0.279) 8.363 3.453 ( 7.665 1.039 -4.518) 8.958 3.756 ( 1.110 7.792 1.220) 7.965 3.871 ( 1.942 3.088 -2.681) 4.527 3.914 ( 0.395 0.997 -0.426) 1.153 4.154 ( 0.701 -1.374 -1.094) 1.891 4.189 ( -0.657 -0.527 -1.359) 1.599 4.312 ( -3.072 -6.637 1.787) 7.529 4.370 ( -1.665 -4.146 0.633) 4.513 4.394 ( 0.773 2.701 1.751) 3.310 4.507 ( -2.483 -4.998 -0.146) 5.582 4.595 ( -1.437 -2.818 1.035) 3.328 4.742 ( -0.612 4.090 3.178) 5.216 4.781 ( -1.718 -1.580 5.308) 5.799 4.864 ( -3.524 -1.997 2.857) 4.957 4.989 ( 0.384 -0.468 2.301) 2.379 5.002 ( -2.005 -4.435 0.630) 4.908 5.072 ( -1.548 -3.333 1.112) 3.839 5.131 ( -0.986 0.619 1.145) 1.633 5.204 ( -1.673 0.860 -1.254) 2.260 5.226 ( -3.199 -1.043 0.852) 3.471 5.307 ( -1.107 0.358 -5.797) 5.912 5.413 ( 3.797 5.832 3.355) 7.725 5.503 ( 3.556 5.231 -2.489) 6.798 5.678 ( -0.725 -1.590 -4.624) 4.943 5.761 ( 0.425 -1.583 -0.680) 1.775 5.775 ( -1.220 0.702 0.711) 1.577 5.818 ( 0.316 -0.167 -2.724) 2.747 5.931 ( 3.444 2.907 6.576) 7.972 6.094 ( -1.586 4.312 2.212) 5.099 6.178 ( 0.807 -1.924 0.179) 2.094 6.251 ( -0.485 2.175 5.445) 5.883 6.425 ( -7.270 -4.806 -2.460) 9.055 6.488 ( -2.305 -5.345 -0.377) 5.833 6.987 ( 3.212 10.900 -5.903) 12.806 7.252 ( -0.544 1.452 -2.297) 2.771 7.500 ( -2.066 -1.720 2.129) 3.429 7.710 ( 2.845 -7.049 6.398) 9.936 ======================= Grid point 48 (26/66) ======================= q-point: (-0.14 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.429 ( -11.650 7.930 6.037) 15.331 0.505 ( -13.225 5.564 9.471) 17.192 0.957 ( -13.038 -0.884 9.093) 15.920 1.162 ( -7.962 9.824 10.117) 16.194 1.281 ( -1.226 -3.894 5.422) 6.786 1.479 ( 7.356 3.269 2.945) 8.572 1.677 ( 0.478 0.043 1.278) 1.365 1.836 ( -1.869 0.618 -1.320) 2.370 1.836 ( -1.777 -5.842 1.577) 6.306 1.908 ( 0.027 4.374 3.918) 5.872 2.065 ( -6.305 3.958 -0.519) 7.463 2.170 ( 1.095 -6.509 -0.913) 6.663 2.383 ( 3.536 4.712 -4.205) 7.238 2.478 ( 3.043 -0.961 -1.512) 3.531 2.493 ( 1.527 1.421 -1.670) 2.671 2.619 ( 1.744 0.620 -1.931) 2.675 2.760 ( 5.484 -3.284 -0.842) 6.447 2.940 ( 5.211 -3.744 -3.213) 7.176 3.040 ( 4.802 2.197 -4.594) 7.000 3.058 ( 1.237 1.891 -1.504) 2.714 3.214 ( -2.296 -2.559 -1.061) 3.598 3.362 ( 1.620 2.464 -6.357) 7.008 3.523 ( 5.382 -1.207 -1.316) 5.671 3.639 ( 9.534 -3.352 2.140) 10.330 3.790 ( 2.371 5.615 -0.917) 6.164 3.886 ( -0.177 6.331 -0.342) 6.342 3.922 ( 3.124 -0.409 -2.711) 4.157 4.118 ( -3.588 0.887 -2.428) 4.422 4.181 ( 2.013 -2.167 -2.253) 3.718 4.253 ( -3.292 -4.576 0.874) 5.705 4.337 ( -3.239 -5.017 0.835) 6.029 4.420 ( -1.630 -4.163 -0.177) 4.474 4.468 ( -1.049 0.161 4.528) 4.651 4.583 ( 0.058 -2.527 -0.726) 2.630 4.680 ( -3.856 3.372 0.995) 5.218 4.777 ( -3.780 1.556 -1.564) 4.377 4.818 ( -3.313 0.428 3.912) 5.144 4.948 ( -3.935 -5.628 -0.833) 6.918 5.009 ( -1.936 -4.076 1.980) 4.928 5.038 ( -2.369 -4.608 -0.343) 5.193 5.081 ( -2.971 1.204 -1.114) 3.394 5.154 ( -2.934 -2.626 -1.133) 4.097 5.208 ( 0.200 1.663 -3.042) 3.472 5.273 ( 2.178 1.167 -0.837) 2.609 5.468 ( 0.055 5.525 -3.129) 6.350 5.559 ( 2.550 5.978 -1.440) 6.657 5.664 ( 0.618 -1.735 1.954) 2.686 5.734 ( -1.463 0.039 2.703) 3.073 5.761 ( -0.466 1.534 -0.698) 1.748 5.828 ( 4.372 -0.264 1.193) 4.540 6.038 ( 0.064 0.283 0.225) 0.367 6.132 ( 4.257 2.568 5.895) 7.712 6.176 ( -1.782 -4.761 -1.390) 5.270 6.273 ( -1.206 -0.603 4.527) 4.724 6.323 ( -2.761 1.540 6.266) 7.018 6.470 ( 0.992 0.888 2.194) 2.567 7.023 ( 4.803 7.753 -5.742) 10.777 7.212 ( -1.342 2.612 -3.541) 4.600 7.461 ( -2.763 -1.635 0.787) 3.305 7.727 ( -4.811 -11.702 -0.365) 12.658 ======================= Grid point 49 (27/66) ======================= q-point: ( 0.00 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( 0.454 11.939 7.159) 13.928 0.674 ( 5.768 14.700 1.883) 15.903 0.815 ( -3.237 -4.912 6.747) 8.952 1.031 ( 4.571 -17.102 -0.819) 17.721 1.410 ( -6.694 10.438 10.618) 16.325 1.541 ( -7.525 -4.107 2.938) 9.062 1.709 ( 1.802 1.475 5.241) 5.735 1.736 ( 1.724 -1.460 3.717) 4.349 1.861 ( 1.120 3.235 0.243) 3.432 1.973 ( -1.272 -6.829 4.909) 8.506 2.097 ( 0.791 6.197 -0.248) 6.252 2.157 ( 0.415 3.892 0.694) 3.975 2.398 ( 0.115 4.588 -1.165) 4.735 2.520 ( 1.617 -1.379 -2.260) 3.102 2.548 ( 1.408 0.862 -0.191) 1.662 2.651 ( 0.650 -11.849 1.399) 11.949 2.727 ( 1.055 5.644 -0.593) 5.773 2.862 ( 0.083 -7.651 0.236) 7.655 3.081 ( 1.587 5.503 -8.350) 10.125 3.153 ( 2.343 -0.554 -6.118) 6.575 3.178 ( -0.739 3.176 -3.437) 4.737 3.270 ( -2.093 -5.208 -2.471) 6.132 3.648 ( 2.877 3.287 -2.421) 4.995 3.688 ( 0.184 0.384 -0.358) 0.556 3.887 ( 1.897 4.012 -2.868) 5.284 3.938 ( -2.687 2.859 -0.732) 3.991 4.018 ( 0.317 4.684 -2.728) 5.430 4.069 ( -4.986 -3.141 -1.703) 6.134 4.119 ( -0.541 -5.881 -0.435) 5.922 4.136 ( 0.254 3.772 -3.719) 5.303 4.156 ( 1.348 -5.979 -1.906) 6.419 4.245 ( -1.492 -6.825 -0.639) 7.016 4.562 ( -1.550 4.015 5.941) 7.336 4.599 ( 2.209 0.275 3.765) 4.374 4.701 ( -0.836 -0.129 -0.385) 0.929 4.712 ( -5.378 -0.054 -1.066) 5.483 4.756 ( -2.951 3.602 -0.546) 4.689 4.868 ( -0.062 -2.305 0.867) 2.463 4.900 ( 0.706 -2.845 -0.733) 3.022 4.938 ( -0.084 -2.314 -1.009) 2.526 5.064 ( -0.057 0.226 -3.162) 3.170 5.081 ( -0.017 -0.909 -1.302) 1.588 5.212 ( -0.375 4.025 -3.339) 5.243 5.280 ( -0.559 -2.466 -1.551) 2.966 5.481 ( -2.607 3.395 -2.843) 5.139 5.537 ( -2.496 -2.139 -1.305) 3.536 5.736 ( 2.128 1.405 1.612) 3.017 5.759 ( 0.105 -0.307 0.460) 0.563 5.900 ( 4.724 2.769 7.847) 9.568 5.919 ( 4.965 -0.411 1.222) 5.130 5.973 ( -3.370 0.856 -3.549) 4.968 6.036 ( -1.423 -5.058 2.315) 5.742 6.285 ( 1.355 3.514 3.750) 5.315 6.328 ( 2.696 -0.702 7.510) 8.010 6.371 ( -3.267 2.176 6.428) 7.532 6.443 ( -2.794 -4.592 3.393) 6.357 7.205 ( 3.253 7.011 -5.774) 9.647 7.269 ( 4.767 1.580 -5.793) 7.667 7.391 ( -2.431 -0.703 0.956) 2.705 7.447 ( -3.626 -5.685 -0.415) 6.755 ======================= Grid point 50 (28/66) ======================= q-point: ( 0.14 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( 6.112 9.645 5.802) 12.808 0.833 ( 5.439 8.236 5.643) 11.369 0.913 ( 9.976 0.332 5.323) 11.312 1.161 ( 6.593 -15.093 4.066) 16.965 1.393 ( -2.055 3.879 6.971) 8.238 1.434 ( -4.593 -1.559 1.041) 4.961 1.730 ( -1.146 1.315 0.182) 1.754 1.766 ( -0.381 -2.447 -0.917) 2.641 1.868 ( -1.575 5.428 4.114) 6.991 1.986 ( -0.838 -5.726 3.842) 6.947 2.161 ( 1.701 9.644 4.974) 10.984 2.197 ( 3.864 4.023 3.098) 6.381 2.390 ( 0.115 2.141 -1.640) 2.700 2.515 ( -0.631 -2.446 -1.887) 3.153 2.570 ( 0.011 -0.436 1.043) 1.131 2.629 ( -4.409 -9.412 2.510) 10.693 2.714 ( -2.148 4.568 0.119) 5.049 2.842 ( -2.033 -7.774 1.471) 8.168 3.040 ( 1.049 5.607 -7.959) 9.792 3.125 ( -0.322 -2.379 -5.736) 6.218 3.135 ( -0.008 2.509 -6.332) 6.811 3.206 ( -1.442 -3.832 -4.838) 6.338 3.618 ( -4.978 3.596 -1.381) 6.294 3.654 ( -2.788 1.399 -0.520) 3.162 3.833 ( -3.995 5.418 -2.732) 7.264 3.895 ( -0.710 2.178 -1.592) 2.790 3.972 ( -1.331 -3.318 -6.514) 7.431 3.997 ( 0.902 1.128 -4.478) 4.705 4.118 ( 1.335 0.905 -1.450) 2.169 4.137 ( -1.045 -3.960 -0.643) 4.145 4.183 ( 1.557 -1.546 -0.538) 2.259 4.247 ( 3.190 -7.409 2.719) 8.512 4.568 ( -1.063 4.624 4.385) 6.460 4.625 ( -2.860 0.599 -0.292) 2.937 4.654 ( -0.326 1.224 -0.908) 1.558 4.689 ( 0.761 -3.477 1.488) 3.858 4.774 ( 2.853 3.054 1.689) 4.508 4.889 ( 1.569 -6.145 0.955) 6.413 4.914 ( 1.711 -0.143 -1.088) 2.033 4.941 ( 0.831 -1.978 -0.383) 2.179 5.072 ( 4.182 1.972 -3.536) 5.820 5.108 ( 3.970 -0.852 -1.621) 4.372 5.225 ( 2.975 2.470 -0.204) 3.873 5.270 ( 0.039 -1.717 1.741) 2.445 5.424 ( -2.403 4.352 -0.879) 5.048 5.506 ( -0.780 -3.594 0.161) 3.681 5.736 ( -2.006 1.630 -0.222) 2.594 5.766 ( -0.138 -1.162 0.354) 1.223 5.881 ( -3.444 3.301 -3.730) 6.055 5.943 ( -0.332 -2.581 -3.623) 4.461 6.017 ( 1.929 2.680 6.392) 7.194 6.074 ( 1.237 -3.624 4.336) 5.785 6.255 ( -3.210 3.539 -1.101) 4.903 6.326 ( -4.150 -3.552 0.098) 5.463 6.429 ( 0.640 4.136 10.308) 11.125 6.517 ( 3.692 -4.733 11.640) 13.097 7.201 ( 0.883 7.510 -5.981) 9.641 7.308 ( 3.066 -1.793 -9.166) 9.830 7.360 ( -1.223 0.951 1.795) 2.371 7.407 ( -0.170 -2.756 -0.165) 2.766 ======================= Grid point 51 (29/66) ======================= q-point: ( 0.29 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( 5.417 6.238 5.293) 9.812 0.977 ( 5.184 0.619 6.120) 8.044 1.109 ( 1.528 3.539 10.062) 10.775 1.209 ( -7.129 -3.049 11.503) 13.872 1.418 ( 3.388 1.700 -1.241) 3.989 1.496 ( 10.378 -6.853 -3.341) 12.878 1.710 ( 1.053 0.523 -3.858) 4.033 1.727 ( -0.769 -1.334 -3.254) 3.600 1.868 ( -0.537 7.223 1.829) 7.471 2.010 ( 2.836 -6.420 -0.648) 7.049 2.178 ( -3.483 11.967 5.103) 13.468 2.311 ( 3.926 3.799 3.394) 6.432 2.359 ( -3.423 -1.043 -3.553) 5.043 2.448 ( -4.730 -4.093 -3.038) 6.954 2.542 ( -3.179 -4.060 6.716) 8.467 2.584 ( -1.701 -3.616 1.961) 4.451 2.698 ( -0.552 4.494 3.111) 5.494 2.831 ( -1.810 -7.037 5.215) 8.944 3.006 ( 0.449 3.132 -7.519) 8.158 3.065 ( -2.857 -3.153 -5.369) 6.851 3.098 ( 0.767 2.089 -4.594) 5.104 3.146 ( -0.075 -3.050 -5.124) 5.964 3.500 ( -3.229 7.162 -5.278) 9.465 3.575 ( -3.460 0.346 -5.662) 6.645 3.783 ( -0.125 4.257 -0.833) 4.339 3.877 ( 1.080 -3.705 -1.396) 4.104 3.924 ( -0.250 2.082 -3.526) 4.102 3.968 ( -1.255 1.730 -1.985) 2.917 4.105 ( -0.768 -3.424 -0.128) 3.511 4.138 ( 1.300 -6.470 -0.715) 6.638 4.251 ( 4.240 3.421 2.236) 5.889 4.354 ( 5.359 -6.796 2.807) 9.098 4.570 ( -1.691 4.168 0.672) 4.547 4.597 ( -0.631 0.115 1.838) 1.946 4.624 ( -1.078 2.385 -1.179) 2.871 4.712 ( -0.129 -5.108 1.230) 5.256 4.831 ( 1.011 2.788 2.924) 4.164 4.904 ( 0.185 -3.167 0.703) 3.249 4.957 ( 2.620 -1.003 0.183) 2.811 4.987 ( 3.510 -4.282 0.913) 5.612 5.151 ( 4.755 2.446 -0.758) 5.401 5.185 ( 4.188 -0.531 0.174) 4.225 5.294 ( 2.928 1.523 0.692) 3.372 5.314 ( 3.189 -0.246 2.636) 4.145 5.378 ( -1.587 6.510 -0.769) 6.744 5.504 ( 0.320 -5.663 0.549) 5.699 5.671 ( -3.945 3.583 -2.413) 5.850 5.735 ( -2.406 -2.927 -1.279) 3.999 5.822 ( -0.032 4.144 -2.942) 5.082 5.901 ( -0.776 -3.506 -4.155) 5.492 6.059 ( -1.389 1.924 3.176) 3.965 6.101 ( -0.906 -2.052 2.396) 3.283 6.213 ( 0.233 2.428 -0.572) 2.505 6.262 ( -2.476 -2.556 -0.082) 3.560 6.486 ( -3.175 6.617 10.173) 12.544 6.633 ( -1.617 -7.810 10.844) 13.462 7.175 ( 1.769 5.664 -5.573) 8.140 7.251 ( -0.219 -1.657 -7.894) 8.069 7.379 ( 1.459 2.498 0.435) 2.926 7.426 ( 1.928 -2.103 -0.340) 2.873 ======================= Grid point 52 (30/66) ======================= q-point: ( 0.43 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( -0.643 4.915 4.831) 6.921 1.057 ( -3.533 -2.324 4.558) 6.218 1.105 ( -5.262 3.969 11.646) 13.382 1.175 ( -5.985 -2.940 10.395) 12.350 1.474 ( 3.080 4.907 -2.436) 6.285 1.601 ( 2.433 -6.871 -3.093) 7.918 1.692 ( 1.097 2.378 -5.283) 5.896 1.740 ( 3.584 -2.765 -6.052) 7.557 1.905 ( 4.760 10.746 -1.653) 11.868 2.084 ( 4.269 -4.430 -1.357) 6.300 2.147 ( 2.167 2.715 -2.644) 4.365 2.216 ( -5.897 -3.872 -4.221) 8.221 2.333 ( -4.028 3.695 -1.584) 5.691 2.401 ( 1.212 0.976 4.398) 4.665 2.547 ( -3.079 0.264 5.869) 6.633 2.582 ( -0.408 -5.019 1.309) 5.203 2.690 ( -6.364 1.469 8.334) 10.588 2.785 ( -9.063 -5.163 4.540) 11.376 2.943 ( 0.783 2.021 -6.359) 6.718 3.004 ( 2.907 -2.953 -3.926) 5.708 3.111 ( 3.538 1.087 -3.367) 5.004 3.147 ( 2.492 -2.390 -2.722) 4.397 3.439 ( 1.302 4.640 -10.042) 11.138 3.466 ( -1.269 2.737 -8.857) 9.357 3.804 ( 1.997 4.164 1.095) 4.746 3.916 ( 0.635 5.064 0.210) 5.107 3.928 ( 5.083 -6.976 -1.041) 8.693 3.942 ( -0.504 3.718 0.094) 3.754 4.105 ( 0.445 -5.044 0.779) 5.123 4.156 ( 0.356 -8.859 0.861) 8.908 4.338 ( 2.670 5.055 2.431) 6.212 4.456 ( 2.712 -6.576 1.615) 7.295 4.535 ( -2.200 4.640 0.023) 5.136 4.583 ( -1.101 -0.579 0.454) 1.324 4.625 ( 0.211 1.958 3.360) 3.894 4.705 ( -1.672 -5.176 3.226) 6.324 4.859 ( 0.345 2.973 2.540) 3.925 4.927 ( 1.056 -3.686 1.095) 3.988 4.995 ( 0.966 0.307 0.318) 1.062 5.042 ( 1.083 -4.295 0.712) 4.486 5.205 ( 0.865 2.508 1.066) 2.859 5.241 ( 0.944 -1.218 1.340) 2.042 5.318 ( -0.604 3.521 -0.229) 3.579 5.357 ( 1.415 0.400 -1.624) 2.191 5.400 ( 1.202 4.979 3.407) 6.152 5.530 ( 0.550 -6.453 2.212) 6.844 5.597 ( 0.797 6.505 -4.334) 7.857 5.695 ( -0.091 -3.725 -2.352) 4.406 5.817 ( 1.554 2.401 -3.084) 4.206 5.861 ( -0.250 -1.959 -4.372) 4.798 6.019 ( -3.011 3.592 -0.019) 4.687 6.099 ( -0.426 -3.468 0.343) 3.511 6.237 ( -1.050 0.519 2.250) 2.536 6.245 ( 2.123 0.613 1.732) 2.808 6.448 ( -6.894 4.913 5.774) 10.247 6.595 ( -8.025 -8.079 5.391) 12.599 7.186 ( 2.382 4.459 -4.490) 6.761 7.233 ( 2.828 -0.256 -3.091) 4.197 7.419 ( 2.113 1.983 1.776) 3.399 7.465 ( 2.224 -2.560 0.558) 3.437 ======================= Grid point 53 (31/66) ======================= q-point: (-0.43 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( -4.992 3.408 3.175) 6.828 0.965 ( -6.833 3.025 3.908) 8.433 1.034 ( -9.843 2.240 4.477) 11.043 1.136 ( -6.184 -5.687 9.088) 12.376 1.495 ( 0.751 2.982 -2.649) 4.059 1.562 ( -1.639 -3.388 -4.512) 5.876 1.686 ( 1.716 2.272 -3.413) 4.444 1.761 ( 4.462 -5.691 -6.122) 9.476 1.968 ( 2.831 12.263 0.016) 12.585 2.098 ( -10.369 2.506 4.432) 11.551 2.119 ( -2.748 1.073 -1.842) 3.478 2.169 ( 3.451 -1.688 -2.086) 4.371 2.323 ( 6.622 0.495 -3.358) 7.441 2.465 ( 1.383 -3.611 4.670) 6.063 2.507 ( -3.302 4.372 1.731) 5.746 2.550 ( -3.956 -1.343 0.388) 4.196 2.582 ( -5.855 -3.975 0.926) 7.137 2.702 ( 0.043 -7.004 3.751) 7.946 2.989 ( 5.711 2.901 -3.008) 7.077 3.050 ( 3.618 -1.586 -2.867) 4.881 3.168 ( 3.849 -0.782 -1.402) 4.170 3.187 ( 3.981 -1.251 -2.280) 4.756 3.368 ( 0.312 4.548 -7.514) 8.789 3.442 ( 4.367 -0.505 -9.681) 10.633 3.857 ( 2.180 6.614 0.970) 7.031 3.930 ( 0.659 4.470 -0.223) 4.523 3.964 ( 2.112 5.720 1.975) 6.409 4.029 ( 6.038 -5.961 -1.498) 8.616 4.127 ( 0.936 -7.523 0.621) 7.606 4.156 ( -0.434 -6.781 -0.133) 6.796 4.368 ( -1.747 2.305 2.905) 4.099 4.452 ( -3.243 -5.511 0.708) 6.434 4.492 ( -1.951 5.475 0.046) 5.812 4.573 ( -1.686 -2.575 1.511) 3.429 4.667 ( 1.481 2.339 5.287) 5.968 4.749 ( 2.255 -5.028 6.714) 8.686 4.877 ( -0.800 3.308 2.375) 4.150 4.941 ( 0.190 -3.383 -0.564) 3.435 4.994 ( -1.760 0.538 1.354) 2.285 5.035 ( -2.086 -3.208 1.425) 4.084 5.202 ( -2.017 2.517 1.485) 3.551 5.242 ( -1.755 -1.558 1.656) 2.872 5.296 ( -1.277 3.437 -1.039) 3.811 5.344 ( -0.882 -1.354 -2.448) 2.933 5.441 ( 1.332 5.412 2.792) 6.234 5.526 ( -0.122 -1.873 -0.300) 1.901 5.650 ( 4.200 1.073 -1.779) 4.686 5.697 ( 1.616 -2.817 -1.775) 3.701 5.822 ( -0.483 0.136 -4.106) 4.137 5.824 ( 1.305 0.444 -4.294) 4.510 5.982 ( -0.476 5.990 0.620) 6.041 6.096 ( 0.804 -4.571 -1.082) 4.766 6.247 ( -1.306 4.149 4.102) 5.979 6.297 ( -0.153 4.396 3.834) 5.835 6.352 ( -3.675 -3.984 0.739) 5.470 6.460 ( -8.132 -7.356 1.672) 11.092 7.193 ( 1.420 7.359 -3.368) 8.217 7.269 ( 1.808 -0.757 -1.147) 2.271 7.470 ( 1.185 0.349 1.899) 2.266 7.516 ( 2.210 -3.968 2.325) 5.102 ======================= Grid point 54 (32/66) ======================= q-point: (-0.29 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( -10.898 5.229 3.196) 12.503 0.839 ( -11.930 8.145 1.165) 14.492 0.929 ( -2.994 -2.431 1.566) 4.162 1.073 ( -5.849 -9.297 5.157) 12.134 1.467 ( 1.117 3.702 -3.376) 5.133 1.561 ( 2.805 -4.480 -1.603) 5.524 1.706 ( -0.214 3.290 0.602) 3.352 1.775 ( -3.392 -0.158 1.615) 3.760 1.877 ( -11.144 6.942 7.243) 14.994 2.013 ( -1.828 2.991 2.317) 4.201 2.074 ( 0.369 2.495 -1.444) 2.906 2.189 ( -1.853 -1.912 0.112) 2.665 2.394 ( 3.412 -1.741 -2.219) 4.427 2.465 ( 3.414 -7.651 -5.724) 10.147 2.506 ( -0.329 2.853 3.994) 4.919 2.528 ( 0.129 0.544 0.420) 0.700 2.607 ( 5.565 3.758 0.222) 6.719 2.759 ( 3.415 -7.332 0.635) 8.113 3.059 ( 4.469 2.581 -4.718) 6.992 3.093 ( 3.309 0.238 -2.580) 4.203 3.201 ( 1.265 0.654 -1.443) 2.027 3.259 ( 3.511 -4.489 -1.484) 5.889 3.404 ( 8.801 4.210 -3.115) 10.241 3.489 ( 7.343 -2.169 -6.654) 10.144 3.876 ( 0.051 6.692 -0.903) 6.753 3.948 ( 0.763 3.869 1.176) 4.115 4.010 ( 1.555 6.117 -0.790) 6.361 4.107 ( 2.164 -2.837 -2.574) 4.400 4.132 ( 1.554 -5.982 -0.102) 6.181 4.159 ( 1.143 -6.193 -1.800) 6.549 4.317 ( -5.395 -0.110 2.239) 5.842 4.380 ( -4.856 -6.173 1.274) 7.956 4.483 ( 0.200 4.732 2.034) 5.155 4.553 ( -1.237 -2.139 1.648) 2.970 4.749 ( 1.651 0.978 6.978) 7.237 4.816 ( -0.679 -4.163 4.252) 5.989 4.851 ( -3.101 4.871 1.729) 6.027 4.935 ( -0.693 -2.644 -0.306) 2.751 4.948 ( -3.827 -0.121 0.971) 3.950 5.007 ( -2.382 -3.779 2.083) 4.929 5.167 ( -2.692 2.001 0.705) 3.428 5.196 ( -4.014 -1.086 0.512) 4.189 5.265 ( -0.790 3.091 -0.448) 3.222 5.307 ( -0.663 -0.902 -2.857) 3.068 5.506 ( 3.893 3.496 2.472) 5.787 5.547 ( 2.178 -0.489 2.001) 2.998 5.666 ( 0.879 1.223 -7.156) 7.313 5.714 ( 0.364 -2.989 -1.251) 3.261 5.787 ( -0.757 0.571 0.281) 0.989 5.801 ( -0.516 -0.962 -2.762) 2.970 6.021 ( 3.485 5.385 0.451) 6.430 6.117 ( 2.119 -4.059 -2.283) 5.116 6.192 ( -5.173 4.970 2.441) 7.578 6.272 ( -4.510 -1.855 2.866) 5.657 6.352 ( -0.748 -0.320 3.471) 3.565 6.400 ( 0.498 -3.910 4.546) 6.017 7.187 ( 0.943 8.492 -3.910) 9.396 7.273 ( 0.167 -0.428 -2.343) 2.387 7.477 ( -1.447 0.552 0.796) 1.741 7.560 ( 0.046 -7.349 1.751) 7.555 ======================= Grid point 55 (33/66) ======================= q-point: (-0.14 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( -8.056 9.520 5.451) 13.610 0.667 ( -6.013 11.366 1.168) 12.912 0.870 ( -5.525 -4.736 4.083) 8.344 1.014 ( -2.129 -13.999 0.652) 14.175 1.477 ( -4.187 10.087 4.496) 11.811 1.602 ( -2.590 9.440 8.602) 13.031 1.629 ( 1.414 -6.118 -1.320) 6.416 1.742 ( -6.210 -4.779 5.558) 9.607 1.825 ( 0.989 3.969 1.240) 4.274 1.967 ( -2.030 -7.455 3.757) 8.591 2.110 ( 1.163 5.059 -1.612) 5.435 2.154 ( -0.788 3.656 -0.522) 3.776 2.410 ( -0.191 1.261 -1.890) 2.280 2.493 ( 3.067 -0.625 -3.028) 4.355 2.522 ( 1.549 1.682 0.142) 2.291 2.595 ( 3.917 -7.980 1.149) 8.963 2.692 ( 3.427 4.669 -0.916) 5.863 2.826 ( 3.532 -7.258 -0.511) 8.087 3.089 ( 3.293 3.843 -6.660) 8.364 3.133 ( 3.484 0.562 -4.092) 5.404 3.203 ( 0.035 2.671 -1.517) 3.072 3.291 ( 1.132 -5.686 -1.040) 5.890 3.570 ( 8.233 2.403 -3.393) 9.224 3.610 ( 8.663 -0.962 -2.055) 8.955 3.870 ( 0.886 5.330 -1.383) 5.577 3.957 ( -0.467 0.610 0.490) 0.911 4.017 ( 0.427 6.457 -0.891) 6.532 4.101 ( 0.908 -3.341 -2.194) 4.099 4.147 ( 1.820 -1.869 -5.559) 6.141 4.162 ( -2.929 -1.970 1.355) 3.781 4.235 ( -3.735 -3.402 0.199) 5.056 4.289 ( -4.631 -6.435 -0.707) 7.960 4.521 ( 0.898 3.097 4.747) 5.739 4.558 ( 0.273 -0.761 2.167) 2.314 4.756 ( -4.631 3.638 1.590) 6.100 4.796 ( -3.095 -0.381 1.675) 3.540 4.829 ( -2.651 -0.151 3.541) 4.426 4.877 ( -2.954 -2.586 -0.117) 3.928 4.905 ( -1.479 -0.910 -0.131) 1.741 4.971 ( -2.318 -4.005 -0.280) 4.635 5.106 ( -2.944 0.889 -1.013) 3.238 5.122 ( -3.367 -0.938 -0.596) 3.546 5.258 ( -0.185 2.705 -3.989) 4.823 5.287 ( 0.684 -0.176 -1.329) 1.505 5.555 ( -0.323 3.447 -5.714) 6.681 5.609 ( -1.239 -1.768 -4.754) 5.221 5.650 ( 4.172 2.461 4.256) 6.448 5.708 ( 2.183 -2.723 3.918) 5.247 5.796 ( 0.901 1.764 2.302) 3.037 5.819 ( 2.510 -0.504 2.811) 3.802 6.047 ( -1.264 0.668 -2.401) 2.795 6.081 ( -2.592 -3.193 -2.982) 5.080 6.199 ( 2.128 2.914 5.305) 6.415 6.247 ( 0.178 -1.920 5.717) 6.033 6.381 ( -1.451 3.507 6.117) 7.199 6.444 ( -0.061 -2.795 4.564) 5.352 7.184 ( 2.613 7.414 -5.156) 9.401 7.254 ( 0.989 0.516 -4.400) 4.539 7.437 ( -2.934 0.429 0.501) 3.008 7.527 ( -3.852 -8.374 -0.404) 9.226 ======================= Grid point 70 (34/66) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( -1.564 0.000 9.807) 9.931 0.799 ( -2.530 0.000 15.583) 15.787 1.042 ( -7.296 0.000 9.679) 12.121 1.420 ( 0.983 0.000 16.711) 16.740 1.490 ( 3.538 0.000 3.117) 4.715 1.672 ( -4.693 0.000 -3.172) 5.665 1.700 ( -3.139 0.000 1.857) 3.647 1.811 ( 1.761 0.000 7.739) 7.937 1.882 ( -1.612 0.000 0.191) 1.623 1.936 ( 0.503 0.000 -2.093) 2.153 2.005 ( -0.814 0.000 3.565) 3.656 2.171 ( 1.971 0.000 2.056) 2.848 2.357 ( 0.162 0.000 -4.556) 4.559 2.359 ( 4.896 0.000 -4.808) 6.862 2.509 ( 3.956 0.000 1.616) 4.273 2.586 ( -1.427 0.000 -1.510) 2.077 2.779 ( 2.576 0.000 -0.862) 2.716 2.933 ( -0.234 0.000 -12.274) 12.276 2.953 ( 0.636 0.000 -3.700) 3.754 3.008 ( 6.095 0.000 -5.435) 8.166 3.082 ( -4.392 0.000 -0.536) 4.425 3.246 ( 2.716 0.000 0.397) 2.745 3.572 ( -0.593 0.000 -6.560) 6.586 3.644 ( 1.188 0.000 1.400) 1.836 3.756 ( -4.927 0.000 -0.254) 4.934 3.756 ( -0.552 0.000 -0.321) 0.638 3.826 ( -0.972 0.000 -3.372) 3.510 4.071 ( 1.263 0.000 -0.855) 1.525 4.198 ( 2.050 0.000 -2.352) 3.120 4.229 ( -6.557 0.000 -0.466) 6.573 4.325 ( 1.160 0.000 -2.025) 2.333 4.401 ( -5.811 0.000 0.722) 5.856 4.553 ( 1.019 0.000 2.086) 2.322 4.601 ( -0.802 0.000 4.005) 4.085 4.679 ( 4.217 0.000 2.310) 4.808 4.706 ( -1.973 0.000 1.481) 2.467 4.836 ( -0.807 0.000 -2.083) 2.233 4.854 ( 1.047 0.000 1.852) 2.128 4.928 ( -1.336 0.000 -1.910) 2.331 4.971 ( 0.906 0.000 -0.521) 1.046 4.995 ( -0.869 0.000 -4.470) 4.553 5.083 ( 0.164 0.000 -4.793) 4.796 5.330 ( -1.859 0.000 2.048) 2.766 5.343 ( -4.165 0.000 1.261) 4.351 5.382 ( 3.507 0.000 0.537) 3.548 5.386 ( -1.053 0.000 2.573) 2.780 5.732 ( -0.004 0.000 0.913) 0.913 5.740 ( -0.239 0.000 -0.066) 0.248 5.875 ( -1.325 0.000 -2.360) 2.707 5.924 ( 3.313 0.000 5.142) 6.117 6.044 ( -1.143 0.000 1.238) 1.685 6.172 ( 3.322 0.000 1.591) 3.683 6.220 ( -0.928 0.000 -4.041) 4.146 6.408 ( -3.888 0.000 8.303) 9.168 6.541 ( 0.144 0.000 1.883) 1.888 6.675 ( 4.584 0.000 11.772) 12.633 6.829 ( 5.631 0.000 -9.207) 10.793 7.073 ( -1.619 0.000 -3.191) 3.578 7.418 ( -2.312 0.000 -0.729) 2.424 7.558 ( -5.192 0.000 -2.771) 5.885 ======================= Grid point 71 (35/66) ======================= q-point: ( 0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 7.741 0.000 9.890) 12.559 0.897 ( 1.252 0.000 13.053) 13.113 1.081 ( 4.686 0.000 7.253) 8.635 1.520 ( -7.011 0.000 -3.009) 7.630 1.537 ( -3.509 0.000 15.446) 15.840 1.573 ( 0.586 0.000 4.086) 4.128 1.652 ( -0.577 0.000 -2.501) 2.567 1.792 ( -6.869 0.000 3.551) 7.733 1.897 ( 1.810 0.000 -0.810) 1.983 1.964 ( 3.930 0.000 0.817) 4.014 2.053 ( 2.452 0.000 2.752) 3.686 2.223 ( 2.204 0.000 -0.751) 2.328 2.311 ( -4.448 0.000 1.595) 4.725 2.372 ( 2.635 0.000 -6.237) 6.771 2.529 ( -1.309 0.000 -6.620) 6.748 2.612 ( 5.246 0.000 0.362) 5.259 2.797 ( -0.072 0.000 -1.798) 1.799 2.863 ( 1.915 0.000 -7.942) 8.170 2.915 ( -0.665 0.000 -4.612) 4.660 3.030 ( -3.041 0.000 3.143) 4.373 3.052 ( 3.444 0.000 -6.969) 7.774 3.259 ( -0.280 0.000 -1.311) 1.341 3.440 ( -9.719 0.000 -4.921) 10.893 3.612 ( -9.323 0.000 2.300) 9.603 3.655 ( -0.397 0.000 0.302) 0.498 3.775 ( 1.645 0.000 -0.135) 1.651 3.829 ( 3.811 0.000 -1.619) 4.141 4.067 ( -3.301 0.000 -1.795) 3.757 4.132 ( -4.025 0.000 -1.904) 4.453 4.164 ( 1.815 0.000 3.210) 3.688 4.353 ( 2.963 0.000 -0.807) 3.071 4.438 ( 4.686 0.000 3.786) 6.025 4.527 ( -3.376 0.000 0.910) 3.496 4.611 ( -0.501 0.000 2.793) 2.838 4.742 ( 2.761 0.000 2.070) 3.451 4.760 ( 1.797 0.000 -1.532) 2.361 4.877 ( 4.551 0.000 -0.134) 4.553 4.883 ( 0.445 0.000 0.902) 1.005 4.935 ( 3.067 0.000 0.409) 3.094 4.995 ( 2.055 0.000 -0.845) 2.222 4.998 ( 4.738 0.000 -2.206) 5.226 5.082 ( 3.748 0.000 -4.782) 6.076 5.296 ( -1.824 0.000 1.938) 2.662 5.305 ( -2.730 0.000 2.704) 3.842 5.388 ( -1.060 0.000 3.174) 3.346 5.444 ( 2.438 0.000 -1.009) 2.639 5.710 ( -2.932 0.000 0.534) 2.981 5.736 ( -0.212 0.000 0.153) 0.261 5.835 ( -1.263 0.000 -0.017) 1.263 5.967 ( -0.967 0.000 -0.861) 1.295 6.063 ( 1.048 0.000 5.433) 5.533 6.187 ( -1.998 0.000 -0.767) 2.140 6.187 ( 0.066 0.000 -2.630) 2.631 6.393 ( -2.653 0.000 4.855) 5.532 6.483 ( -5.979 0.000 1.586) 6.186 6.834 ( 1.926 0.000 -8.823) 9.031 6.887 ( 8.232 0.000 10.988) 13.730 7.021 ( -0.401 0.000 -8.582) 8.591 7.393 ( -0.548 0.000 1.651) 1.740 7.501 ( -0.776 0.000 2.011) 2.156 ======================= Grid point 72 (36/66) ======================= q-point: ( 0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 0.354 0.000 9.780) 9.786 1.028 ( 9.322 0.000 9.285) 13.157 1.257 ( 7.152 0.000 5.001) 8.727 1.355 ( -7.795 0.000 -0.275) 7.800 1.487 ( -6.896 0.000 4.505) 8.237 1.569 ( -6.025 0.000 5.036) 7.853 1.666 ( 1.174 0.000 -0.035) 1.175 1.690 ( -4.043 0.000 -0.877) 4.137 1.896 ( -1.422 0.000 -1.823) 2.312 2.066 ( 4.902 0.000 3.177) 5.841 2.100 ( 0.660 0.000 2.015) 2.120 2.201 ( -4.618 0.000 -0.615) 4.659 2.258 ( 0.909 0.000 -2.424) 2.589 2.431 ( 9.638 0.000 -7.300) 12.091 2.464 ( 0.982 0.000 -8.587) 8.643 2.669 ( 0.257 0.000 -2.335) 2.350 2.766 ( -0.311 0.000 -2.794) 2.811 2.874 ( -0.434 0.000 -4.085) 4.108 2.881 ( 2.523 0.000 -2.530) 3.574 2.982 ( -5.970 0.000 6.751) 9.012 3.050 ( 2.907 0.000 -7.893) 8.411 3.166 ( -13.974 0.000 -1.968) 14.112 3.260 ( 0.149 0.000 -0.818) 0.832 3.473 ( -6.620 0.000 -0.944) 6.687 3.659 ( 0.755 0.000 0.465) 0.887 3.769 ( -1.481 0.000 -0.815) 1.691 3.915 ( 6.323 0.000 -2.143) 6.676 4.006 ( -2.318 0.000 1.375) 2.695 4.118 ( 2.539 0.000 1.007) 2.732 4.272 ( 6.044 0.000 3.157) 6.819 4.414 ( 3.130 0.000 1.210) 3.356 4.441 ( -4.366 0.000 0.512) 4.396 4.556 ( 2.379 0.000 2.901) 3.751 4.624 ( -0.347 0.000 2.245) 2.272 4.752 ( 0.246 0.000 -2.670) 2.682 4.804 ( 2.548 0.000 2.206) 3.370 4.917 ( 2.740 0.000 2.411) 3.650 4.941 ( 1.705 0.000 0.041) 1.705 5.005 ( 4.034 0.000 -0.453) 4.060 5.037 ( 3.733 0.000 -1.306) 3.955 5.104 ( 6.448 0.000 -0.487) 6.466 5.128 ( 3.250 0.000 -2.742) 4.252 5.265 ( -3.956 0.000 3.270) 5.133 5.303 ( 0.692 0.000 0.709) 0.990 5.391 ( -1.213 0.000 3.372) 3.584 5.408 ( -4.796 0.000 -2.814) 5.560 5.695 ( 0.717 0.000 3.542) 3.614 5.735 ( -0.178 0.000 0.442) 0.476 5.817 ( -1.047 0.000 -0.103) 1.052 5.914 ( -2.755 0.000 -2.319) 3.601 6.112 ( -1.066 0.000 5.316) 5.422 6.118 ( -4.625 0.000 0.248) 4.632 6.191 ( 1.309 0.000 0.941) 1.612 6.377 ( -6.155 0.000 1.192) 6.269 6.395 ( 1.821 0.000 -1.137) 2.147 6.773 ( -1.750 0.000 -8.283) 8.466 6.907 ( -2.722 0.000 -9.423) 9.809 7.108 ( 6.760 0.000 4.962) 8.386 7.429 ( 2.234 0.000 4.889) 5.375 7.549 ( 2.692 0.000 5.246) 5.897 ======================= Grid point 73 (37/66) ======================= q-point: (-0.57 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( -6.524 0.000 3.330) 7.324 1.146 ( -6.763 0.000 4.384) 8.060 1.285 ( -4.443 0.000 4.499) 6.323 1.381 ( 5.746 0.000 5.624) 8.040 1.458 ( -0.111 0.000 4.148) 4.149 1.473 ( -3.714 0.000 4.527) 5.855 1.625 ( -3.464 0.000 1.104) 3.635 1.662 ( 1.570 0.000 -6.329) 6.520 1.848 ( -1.267 0.000 0.207) 1.284 2.099 ( -3.287 0.000 0.081) 3.288 2.125 ( -0.420 0.000 -0.685) 0.803 2.170 ( 2.385 0.000 3.161) 3.960 2.288 ( 5.444 0.000 -6.249) 8.288 2.449 ( 2.951 0.000 -6.121) 6.796 2.530 ( -7.380 0.000 4.156) 8.470 2.607 ( 5.364 0.000 -9.595) 10.992 2.728 ( -2.059 0.000 -4.582) 5.023 2.818 ( -3.221 0.000 -0.749) 3.307 2.869 ( -1.512 0.000 -3.127) 3.474 2.964 ( -5.025 0.000 2.776) 5.741 2.983 ( 3.661 0.000 1.338) 3.898 3.066 ( 4.501 0.000 -7.177) 8.472 3.239 ( -1.828 0.000 -1.276) 2.230 3.386 ( -0.137 0.000 -4.065) 4.068 3.677 ( -0.376 0.000 1.876) 1.913 3.752 ( 1.125 0.000 -0.960) 1.479 3.972 ( -0.780 0.000 -0.580) 0.972 4.025 ( 4.546 0.000 -0.103) 4.548 4.195 ( 3.707 0.000 2.075) 4.248 4.358 ( -4.366 0.000 -0.528) 4.398 4.405 ( 5.451 0.000 1.749) 5.725 4.465 ( 0.897 0.000 1.476) 1.727 4.584 ( -0.385 0.000 1.609) 1.655 4.620 ( -1.239 0.000 1.299) 1.795 4.756 ( 1.321 0.000 0.195) 1.335 4.866 ( 1.711 0.000 2.295) 2.863 4.942 ( -0.340 0.000 -0.003) 0.340 5.015 ( 4.005 0.000 5.793) 7.043 5.074 ( 2.737 0.000 -1.296) 3.028 5.107 ( 4.068 0.000 -0.871) 4.160 5.154 ( 1.089 0.000 -0.457) 1.181 5.181 ( -0.380 0.000 -0.129) 0.401 5.223 ( -0.659 0.000 2.430) 2.518 5.256 ( -4.270 0.000 -1.976) 4.705 5.329 ( -0.579 0.000 -3.796) 3.840 5.393 ( -1.186 0.000 3.197) 3.410 5.733 ( -0.604 0.000 0.783) 0.989 5.760 ( 2.175 0.000 5.476) 5.892 5.793 ( -1.001 0.000 -1.037) 1.441 5.846 ( -2.770 0.000 -1.923) 3.372 6.038 ( -4.504 0.000 2.237) 5.029 6.105 ( -2.641 0.000 4.113) 4.888 6.237 ( 1.088 0.000 4.122) 4.263 6.285 ( -4.258 0.000 0.270) 4.266 6.450 ( 6.969 0.000 -6.514) 9.539 6.660 ( -4.172 0.000 -6.989) 8.140 6.788 ( -3.363 0.000 -7.667) 8.372 7.208 ( 2.382 0.000 0.723) 2.489 7.536 ( 3.782 0.000 5.997) 7.090 7.653 ( 3.536 0.000 6.619) 7.504 ======================= Grid point 74 (38/66) ======================= q-point: (-0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 1.040 0.000 2.231) 2.462 0.953 ( -13.915 0.000 4.475) 14.617 1.139 ( -12.656 0.000 7.355) 14.637 1.407 ( -9.422 0.000 9.116) 13.110 1.516 ( 4.658 0.000 -3.075) 5.582 1.546 ( 0.056 0.000 4.166) 4.166 1.607 ( 3.619 0.000 5.772) 6.813 1.720 ( 7.324 0.000 -1.949) 7.579 1.872 ( 3.476 0.000 -0.577) 3.523 2.036 ( -0.261 0.000 -7.226) 7.231 2.124 ( -12.140 0.000 7.872) 14.469 2.126 ( -0.799 0.000 2.568) 2.690 2.363 ( -8.696 0.000 5.329) 10.198 2.364 ( 6.940 0.000 -4.570) 8.310 2.470 ( 3.754 0.000 -6.469) 7.479 2.549 ( -4.969 0.000 -9.364) 10.600 2.688 ( 0.080 0.000 -1.289) 1.291 2.806 ( 2.980 0.000 -2.175) 3.689 2.811 ( -1.581 0.000 -2.742) 3.166 2.999 ( 3.640 0.000 2.952) 4.687 3.092 ( 3.632 0.000 -7.463) 8.300 3.128 ( 11.058 0.000 -2.692) 11.381 3.245 ( 4.955 0.000 0.119) 4.956 3.386 ( 3.290 0.000 -4.844) 5.856 3.667 ( -1.956 0.000 1.826) 2.676 3.783 ( 2.226 0.000 -1.463) 2.663 3.937 ( -2.555 0.000 0.130) 2.558 4.091 ( 3.151 0.000 -2.387) 3.953 4.242 ( -2.300 0.000 1.351) 2.668 4.310 ( 1.816 0.000 0.425) 1.865 4.456 ( -2.104 0.000 -0.151) 2.110 4.472 ( 1.047 0.000 0.185) 1.063 4.589 ( -0.060 0.000 1.335) 1.337 4.607 ( -0.822 0.000 0.322) 0.882 4.771 ( -2.027 0.000 0.980) 2.251 4.881 ( -1.517 0.000 1.249) 1.965 4.969 ( 2.983 0.000 2.200) 3.707 5.074 ( -0.927 0.000 -3.605) 3.722 5.077 ( -4.694 0.000 4.926) 6.804 5.108 ( -1.369 0.000 2.801) 3.118 5.162 ( 0.710 0.000 3.118) 3.198 5.174 ( 0.818 0.000 -2.959) 3.070 5.245 ( 1.495 0.000 -1.002) 1.800 5.252 ( -0.337 0.000 -3.421) 3.437 5.273 ( 2.184 0.000 -2.188) 3.092 5.396 ( -0.663 0.000 2.753) 2.831 5.723 ( -1.274 0.000 1.772) 2.182 5.771 ( -0.520 0.000 -0.618) 0.808 5.792 ( -1.948 0.000 -0.569) 2.030 5.840 ( 1.699 0.000 4.150) 4.485 6.002 ( -1.332 0.000 4.411) 4.608 6.088 ( -2.002 0.000 3.137) 3.722 6.235 ( -0.993 0.000 0.374) 1.061 6.282 ( 0.309 0.000 4.479) 4.490 6.524 ( -1.139 0.000 -6.566) 6.664 6.558 ( 5.981 0.000 -6.752) 9.020 6.669 ( -5.365 0.000 -3.087) 6.189 7.228 ( -0.034 0.000 -0.473) 0.474 7.598 ( -1.177 0.000 3.062) 3.280 7.772 ( 4.633 0.000 3.596) 5.865 ======================= Grid point 75 (39/66) ======================= q-point: (-0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( -11.697 0.000 12.054) 16.796 0.897 ( -12.326 0.000 11.184) 16.644 1.156 ( 10.622 0.000 3.962) 11.337 1.295 ( -7.495 0.000 5.084) 9.056 1.481 ( -9.669 0.000 4.453) 10.645 1.536 ( -2.790 0.000 7.874) 8.353 1.769 ( 5.331 0.000 6.128) 8.123 1.772 ( -3.697 0.000 4.274) 5.651 1.919 ( 0.284 0.000 1.745) 1.767 1.981 ( 1.800 0.000 -11.334) 11.476 2.041 ( 2.462 0.000 1.725) 3.006 2.133 ( -1.197 0.000 4.202) 4.369 2.234 ( -6.831 0.000 -2.370) 7.230 2.433 ( 1.009 0.000 -3.013) 3.178 2.442 ( -0.942 0.000 -1.289) 1.597 2.511 ( 7.892 0.000 -7.581) 10.943 2.696 ( 1.703 0.000 -0.888) 1.920 2.800 ( 2.402 0.000 -0.914) 2.570 2.867 ( 4.885 0.000 -2.121) 5.325 3.063 ( 2.368 0.000 1.294) 2.699 3.086 ( 2.054 0.000 -8.852) 9.088 3.273 ( 2.771 0.000 -2.668) 3.847 3.382 ( 10.258 0.000 -3.718) 10.911 3.509 ( 13.682 0.000 -0.862) 13.709 3.638 ( -1.991 0.000 0.988) 2.223 3.797 ( 0.481 0.000 -1.608) 1.679 3.889 ( -1.896 0.000 -1.637) 2.505 4.103 ( 0.306 0.000 -2.844) 2.860 4.186 ( -2.338 0.000 -0.948) 2.523 4.385 ( 3.888 0.000 2.393) 4.565 4.391 ( -3.858 0.000 -0.825) 3.945 4.470 ( -2.087 0.000 0.944) 2.290 4.595 ( -0.624 0.000 0.270) 0.680 4.596 ( -0.818 0.000 1.473) 1.684 4.700 ( -4.468 0.000 -0.515) 4.498 4.834 ( -3.734 0.000 0.260) 3.743 4.977 ( -7.651 0.000 2.136) 7.944 5.006 ( 0.142 0.000 -3.332) 3.335 5.029 ( -1.490 0.000 -2.178) 2.639 5.075 ( -4.306 0.000 -5.811) 7.233 5.143 ( -3.374 0.000 -1.167) 3.571 5.170 ( -0.189 0.000 -0.664) 0.690 5.210 ( 2.159 0.000 3.967) 4.516 5.295 ( 2.429 0.000 1.948) 3.113 5.360 ( 4.667 0.000 -0.147) 4.669 5.406 ( -0.311 0.000 1.551) 1.582 5.729 ( 0.177 0.000 3.910) 3.914 5.766 ( -0.940 0.000 0.999) 1.371 5.779 ( 1.459 0.000 1.121) 1.840 5.826 ( -3.739 0.000 -0.683) 3.801 6.071 ( 3.457 0.000 4.367) 5.570 6.074 ( -1.509 0.000 1.958) 2.472 6.271 ( 3.504 0.000 4.166) 5.444 6.305 ( -0.518 0.000 1.277) 1.378 6.437 ( -3.811 0.000 1.554) 4.116 6.562 ( -5.438 0.000 3.505) 6.470 6.665 ( 9.699 0.000 -9.486) 13.567 7.205 ( -1.873 0.000 -0.918) 2.086 7.556 ( -3.958 0.000 0.342) 3.973 7.829 ( 0.572 0.000 -4.080) 4.120 ======================= Grid point 76 (40/66) ======================= q-point: (-0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( -8.952 0.000 13.715) 16.378 0.788 ( -8.663 0.000 15.012) 17.332 1.176 ( -11.123 0.000 5.636) 12.470 1.344 ( -7.457 0.000 15.178) 16.911 1.379 ( 7.570 0.000 3.375) 8.288 1.607 ( 4.577 0.000 9.249) 10.319 1.735 ( -3.191 0.000 3.995) 5.113 1.812 ( -3.730 0.000 1.605) 4.060 1.925 ( 0.125 0.000 -2.112) 2.116 1.981 ( 4.426 0.000 -5.052) 6.716 1.991 ( -7.312 0.000 1.007) 7.381 2.141 ( -1.189 0.000 4.644) 4.794 2.249 ( 8.987 0.000 -4.271) 9.950 2.395 ( -0.079 0.000 -6.436) 6.436 2.456 ( 1.422 0.000 1.235) 1.884 2.589 ( 2.909 0.000 -2.115) 3.596 2.733 ( 2.849 0.000 -1.006) 3.022 2.888 ( 7.755 0.000 -2.934) 8.291 2.934 ( 3.548 0.000 -2.308) 4.233 3.036 ( 0.144 0.000 -10.731) 10.732 3.128 ( 3.209 0.000 0.122) 3.212 3.224 ( -3.674 0.000 -0.793) 3.758 3.542 ( 9.160 0.000 -7.149) 11.620 3.621 ( -0.259 0.000 0.978) 1.012 3.748 ( 9.214 0.000 -0.701) 9.241 3.782 ( -1.130 0.000 -0.630) 1.293 3.848 ( -0.172 0.000 -3.910) 3.914 4.073 ( -1.155 0.000 -1.314) 1.750 4.163 ( 1.398 0.000 -2.096) 2.520 4.325 ( -2.497 0.000 0.096) 2.499 4.383 ( -6.370 0.000 -2.675) 6.909 4.478 ( 4.090 0.000 2.536) 4.812 4.542 ( -6.606 0.000 0.501) 6.625 4.590 ( -0.574 0.000 1.616) 1.714 4.642 ( -1.345 0.000 1.111) 1.744 4.768 ( -3.666 0.000 0.244) 3.674 4.863 ( -4.557 0.000 1.491) 4.794 4.929 ( -5.041 0.000 -4.583) 6.813 4.975 ( -1.115 0.000 -3.402) 3.580 4.987 ( -2.437 0.000 -0.614) 2.513 5.062 ( -3.064 0.000 -3.301) 4.504 5.126 ( -1.134 0.000 -3.974) 4.132 5.308 ( 3.125 0.000 3.545) 4.726 5.334 ( 0.183 0.000 1.959) 1.968 5.397 ( -1.506 0.000 1.251) 1.958 5.404 ( -1.050 0.000 0.133) 1.058 5.739 ( -2.619 0.000 0.171) 2.624 5.745 ( -0.217 0.000 -0.063) 0.226 5.815 ( 2.924 0.000 6.788) 7.391 5.859 ( 4.251 0.000 0.256) 4.259 6.059 ( -1.257 0.000 0.977) 1.592 6.115 ( 0.328 0.000 1.123) 1.170 6.273 ( -1.470 0.000 -3.623) 3.909 6.413 ( -3.356 0.000 8.308) 8.960 6.425 ( 7.765 0.000 5.623) 9.587 6.556 ( -0.371 0.000 9.978) 9.985 6.765 ( 8.388 0.000 -9.551) 12.712 7.146 ( -3.607 0.000 -1.342) 3.849 7.480 ( -3.576 0.000 -0.966) 3.704 7.720 ( -6.345 0.000 -8.447) 10.565 ======================= Grid point 77 (41/66) ======================= q-point: ( 0.00 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( -3.498 -0.231 11.141) 11.679 0.722 ( 0.771 -0.855 11.780) 11.836 1.029 ( -3.254 -3.509 5.097) 6.991 1.314 ( 3.445 -11.817 1.071) 12.355 1.584 ( -3.490 4.595 13.039) 14.258 1.656 ( -5.142 -1.102 0.727) 5.308 1.730 ( 4.787 5.786 2.194) 7.824 1.789 ( -1.582 -0.165 1.426) 2.136 1.866 ( -6.253 -0.283 6.016) 8.682 2.003 ( -0.350 4.699 1.642) 4.990 2.051 ( 0.905 6.881 6.766) 9.693 2.225 ( 0.745 -2.063 2.604) 3.405 2.317 ( 2.075 1.842 -2.631) 3.824 2.431 ( 5.802 5.505 -6.913) 10.571 2.509 ( 2.827 -0.744 0.352) 2.944 2.599 ( -0.707 1.816 -1.871) 2.702 2.796 ( 3.254 0.872 -1.694) 3.771 2.903 ( -0.282 -4.359 -3.680) 5.711 2.930 ( 2.391 -2.583 -7.264) 8.072 2.996 ( -0.932 1.298 -7.852) 8.013 3.055 ( 0.373 -3.149 -2.453) 4.009 3.220 ( 0.204 -2.558 -3.190) 4.094 3.567 ( 1.803 0.477 -3.658) 4.106 3.679 ( -3.164 2.709 -0.673) 4.219 3.753 ( 3.501 1.782 0.824) 4.014 3.821 ( -5.231 3.603 -1.557) 6.540 3.875 ( -0.068 4.349 -2.510) 5.022 4.060 ( 0.590 -0.265 -0.870) 1.084 4.166 ( -2.876 -4.331 -1.052) 5.305 4.187 ( -2.657 -3.051 -0.095) 4.046 4.243 ( 1.987 -6.152 -1.801) 6.711 4.383 ( -3.087 -4.061 0.442) 5.120 4.571 ( -0.128 3.339 2.534) 4.193 4.622 ( -0.825 1.190 2.485) 2.876 4.675 ( -0.290 -0.389 0.562) 0.742 4.727 ( 2.286 0.503 3.102) 3.886 4.783 ( -2.767 -1.638 0.817) 3.318 4.851 ( 0.270 0.145 -0.984) 1.031 4.912 ( 0.102 -0.989 -2.577) 2.762 4.976 ( -0.922 -2.766 -2.838) 4.069 5.039 ( -0.705 -3.465 -3.227) 4.787 5.064 ( 0.625 6.189 0.606) 6.250 5.125 ( -0.865 -7.353 -0.976) 7.468 5.350 ( 0.032 -1.577 2.418) 2.886 5.406 ( -1.490 2.136 0.905) 2.757 5.547 ( -1.072 4.886 0.850) 5.074 5.724 ( 0.798 0.830 0.293) 1.188 5.744 ( -0.243 0.463 0.195) 0.558 5.878 ( -0.541 0.376 -2.215) 2.311 5.937 ( 1.188 -0.939 0.877) 1.750 6.010 ( 2.502 -0.172 4.115) 4.819 6.168 ( -1.384 -0.988 -0.054) 1.702 6.275 ( -1.642 3.191 1.719) 3.980 6.394 ( 3.324 0.510 3.414) 4.792 6.514 ( -4.445 -1.934 3.774) 6.143 6.656 ( 3.766 -2.009 9.724) 10.620 6.915 ( 4.097 7.139 -7.015) 10.815 7.101 ( 0.604 2.245 -5.042) 5.552 7.413 ( -1.961 -0.451 -0.306) 2.036 7.521 ( -3.955 -3.433 -1.708) 5.508 ======================= Grid point 78 (42/66) ======================= q-point: ( 0.14 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( 5.585 -0.383 11.238) 12.555 0.880 ( 8.224 0.618 7.025) 10.833 1.071 ( 4.197 -2.126 4.522) 6.526 1.419 ( 6.695 -10.600 -2.738) 12.833 1.554 ( -6.343 1.077 3.873) 7.510 1.601 ( -6.347 1.918 12.083) 13.783 1.719 ( -3.042 3.182 -1.156) 4.551 1.753 ( -4.162 -1.766 2.423) 5.129 1.838 ( -1.384 -0.764 2.310) 2.799 2.025 ( 2.204 5.390 2.298) 6.260 2.125 ( -0.208 6.193 5.485) 8.275 2.227 ( -0.873 0.548 0.488) 1.140 2.320 ( -0.972 1.878 -1.023) 2.349 2.481 ( 3.023 6.631 -4.149) 8.386 2.528 ( -0.805 -0.094 -4.233) 4.310 2.604 ( 5.331 0.976 -2.596) 6.009 2.793 ( -1.798 -1.219 -4.738) 5.212 2.855 ( 0.508 -0.546 0.056) 0.747 2.919 ( 0.325 -3.189 -6.397) 7.155 2.948 ( 0.925 -2.323 -3.655) 4.428 3.057 ( 1.369 -1.181 -3.875) 4.276 3.190 ( -0.446 -6.272 -2.043) 6.611 3.467 ( -8.767 2.821 -4.809) 10.389 3.625 ( -7.902 1.536 1.730) 8.234 3.696 ( -0.915 3.685 -0.419) 3.820 3.830 ( 2.271 4.197 1.284) 4.941 3.854 ( 0.625 2.295 -2.684) 3.586 4.042 ( -5.289 -3.115 0.171) 6.141 4.114 ( 1.626 -1.411 0.308) 2.174 4.138 ( 0.144 -1.428 -0.502) 1.520 4.298 ( 2.854 -4.679 0.426) 5.497 4.414 ( 4.483 -4.201 1.955) 6.447 4.550 ( -3.201 3.347 1.429) 4.846 4.617 ( -0.739 -0.974 2.758) 3.017 4.674 ( 0.094 -1.468 0.416) 1.529 4.787 ( 0.390 -3.356 0.446) 3.408 4.820 ( 3.253 -0.416 2.474) 4.108 4.881 ( 2.967 -0.474 -1.221) 3.243 4.953 ( 4.213 2.410 0.528) 4.882 4.979 ( 4.904 -2.311 -1.946) 5.760 5.026 ( 1.984 -3.481 -2.329) 4.635 5.100 ( 2.209 4.405 0.433) 4.947 5.151 ( 4.107 -3.753 -0.417) 5.579 5.356 ( -1.881 0.132 1.222) 2.247 5.375 ( -2.041 0.484 2.730) 3.442 5.549 ( 0.108 3.836 0.823) 3.924 5.694 ( -3.242 -0.187 -0.223) 3.255 5.753 ( 0.127 1.485 -0.078) 1.493 5.822 ( -2.982 -1.071 -0.437) 3.198 5.942 ( -0.828 -2.516 -1.236) 2.923 6.080 ( 1.225 0.874 3.043) 3.395 6.146 ( 0.315 0.110 -1.140) 1.188 6.219 ( -5.087 0.227 1.622) 5.344 6.429 ( -5.372 -4.480 0.849) 7.046 6.466 ( 1.207 6.644 4.533) 8.133 6.852 ( 6.891 -3.441 11.172) 13.570 6.905 ( 1.594 6.084 -8.373) 10.472 7.062 ( 0.177 3.075 -9.765) 10.240 7.393 ( -0.542 -0.010 1.616) 1.705 7.477 ( -0.794 -2.292 1.773) 3.005 ======================= Grid point 79 (43/66) ======================= q-point: ( 0.29 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( 5.216 -0.865 8.964) 10.407 1.074 ( 7.093 2.360 6.332) 9.797 1.224 ( 8.401 -2.233 0.278) 8.697 1.391 ( -7.751 2.425 4.236) 9.159 1.482 ( -7.163 -0.702 3.749) 8.116 1.576 ( -0.905 -0.005 0.387) 0.985 1.684 ( -0.835 1.068 -1.190) 1.804 1.699 ( -2.849 -1.024 1.553) 3.402 1.821 ( -1.052 -4.023 2.463) 4.833 2.076 ( -0.642 -3.680 0.386) 3.756 2.112 ( -0.533 4.934 3.356) 5.991 2.231 ( -0.802 5.799 0.337) 5.864 2.272 ( 0.465 0.935 -5.141) 5.246 2.404 ( -3.816 -0.153 -4.012) 5.539 2.578 ( 5.185 5.932 -2.615) 8.301 2.673 ( 4.633 1.634 -5.530) 7.397 2.739 ( -0.981 -3.364 -2.793) 4.481 2.865 ( -0.378 1.562 1.353) 2.101 2.889 ( -0.374 -3.301 -2.542) 4.183 2.956 ( 2.675 0.101 -2.286) 3.520 3.038 ( -0.493 -1.500 -3.758) 4.077 3.185 ( -4.253 -5.425 -0.850) 6.945 3.226 ( -7.523 3.840 -3.611) 9.185 3.468 ( -8.002 -0.209 -1.768) 8.198 3.716 ( 1.355 4.985 1.032) 5.268 3.824 ( -1.196 4.649 -0.866) 4.878 3.893 ( 4.420 -1.704 -1.663) 5.020 3.973 ( -2.995 -2.836 1.605) 4.426 4.130 ( 2.801 0.339 0.284) 2.836 4.247 ( 6.355 -2.067 3.088) 7.362 4.343 ( 1.044 -5.676 1.220) 5.898 4.482 ( -1.175 -0.421 -0.817) 1.492 4.520 ( 1.453 0.291 1.982) 2.474 4.628 ( -0.611 -1.062 3.215) 3.440 4.691 ( 0.844 -2.993 1.271) 3.359 4.805 ( 1.956 -0.960 0.832) 2.332 4.868 ( 1.361 -1.678 2.499) 3.303 4.936 ( 2.884 -1.236 0.317) 3.154 5.024 ( 4.078 -0.876 -1.162) 4.330 5.062 ( 2.286 -4.083 -0.248) 4.686 5.108 ( 6.004 1.298 0.946) 6.215 5.136 ( 2.625 5.664 -1.152) 6.349 5.239 ( 4.206 1.583 -0.749) 4.556 5.308 ( -2.490 0.193 1.126) 2.739 5.379 ( -0.530 -0.057 2.266) 2.328 5.506 ( -5.628 5.371 -1.049) 7.850 5.663 ( 0.356 -3.522 3.166) 4.749 5.751 ( -0.222 1.467 0.557) 1.585 5.774 ( -2.035 -3.357 -0.816) 4.010 5.896 ( -2.452 -1.870 -1.792) 3.566 6.059 ( -3.594 -2.185 -1.685) 4.531 6.169 ( 0.187 -1.669 -0.293) 1.704 6.176 ( 0.594 2.963 3.884) 4.922 6.344 ( -4.067 -2.717 0.817) 4.959 6.493 ( -1.992 8.489 3.919) 9.560 6.812 ( -4.521 2.972 -5.163) 7.478 6.946 ( -0.244 3.087 -9.467) 9.961 7.097 ( 7.618 -0.902 2.711) 8.136 7.423 ( 1.909 -0.527 3.951) 4.420 7.514 ( 2.203 -3.305 4.028) 5.657 ======================= Grid point 80 (44/66) ======================= q-point: (-0.57 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( -4.897 2.677 3.585) 6.633 1.162 ( -5.683 1.103 2.732) 6.402 1.265 ( -6.765 -0.386 6.189) 9.177 1.382 ( 3.878 0.214 5.661) 6.865 1.439 ( 2.660 -1.529 -0.306) 3.083 1.525 ( -0.278 3.212 -0.421) 3.251 1.644 ( -4.437 -0.381 3.203) 5.486 1.661 ( -0.671 -0.025 -4.727) 4.774 1.808 ( -1.468 -0.975 0.587) 1.858 2.092 ( 2.792 -2.877 -1.020) 4.136 2.138 ( -0.210 0.038 3.899) 3.905 2.207 ( 0.576 1.771 -0.485) 1.924 2.288 ( 4.663 3.511 -8.242) 10.100 2.342 ( -1.906 -3.679 1.358) 4.360 2.578 ( -6.906 4.412 4.024) 9.130 2.693 ( -0.815 -1.463 -3.788) 4.142 2.722 ( 3.857 3.298 -7.308) 8.897 2.816 ( -4.200 0.647 -2.736) 5.055 2.899 ( 0.336 0.707 -0.818) 1.132 2.946 ( -4.873 -0.825 5.186) 7.164 3.011 ( 2.862 1.548 -3.449) 4.741 3.054 ( 5.331 0.485 -10.114) 11.443 3.216 ( 0.475 -2.678 -1.294) 3.012 3.344 ( -2.696 -2.431 -2.878) 4.633 3.747 ( 0.817 5.838 1.008) 5.981 3.814 ( 0.738 5.881 0.090) 5.927 3.932 ( -1.821 -3.140 0.243) 3.638 3.981 ( 5.162 -3.993 -1.447) 6.685 4.200 ( 3.606 -1.186 1.168) 3.972 4.338 ( -2.161 -5.959 0.128) 6.340 4.370 ( 3.516 -1.283 2.441) 4.468 4.444 ( -1.214 1.165 0.193) 1.694 4.551 ( 0.427 -2.167 0.328) 2.233 4.641 ( -0.272 0.424 2.415) 2.467 4.721 ( 1.485 -2.281 1.996) 3.375 4.857 ( 1.635 0.078 2.027) 2.605 4.934 ( 1.159 -4.444 5.297) 7.010 4.968 ( 0.992 -0.364 0.535) 1.185 5.056 ( -0.790 -4.102 1.683) 4.503 5.107 ( 2.556 -2.129 -0.283) 3.339 5.147 ( 2.263 4.582 -1.418) 5.303 5.218 ( 2.228 3.962 0.168) 4.549 5.265 ( 0.058 3.306 0.835) 3.411 5.306 ( 1.895 0.253 -2.964) 3.527 5.358 ( -3.213 5.436 -1.714) 6.544 5.409 ( -2.157 1.500 1.786) 3.176 5.704 ( -0.914 -5.426 2.315) 5.969 5.744 ( 0.438 -3.345 0.937) 3.501 5.758 ( 0.750 1.002 0.311) 1.290 5.842 ( -1.941 -0.647 -1.091) 2.319 5.983 ( -2.958 -1.980 -0.161) 3.563 6.160 ( -0.965 -3.942 -1.902) 4.482 6.212 ( -0.249 4.803 3.827) 6.146 6.316 ( -0.387 1.159 3.332) 3.549 6.455 ( -2.467 2.114 -0.259) 3.259 6.669 ( -6.329 0.335 -5.409) 8.332 6.892 ( 1.226 8.908 -7.757) 11.875 7.209 ( 3.106 0.040 0.638) 3.172 7.513 ( 3.239 -2.190 4.859) 6.236 7.601 ( 3.325 -5.009 5.112) 7.892 ======================= Grid point 81 (45/66) ======================= q-point: (-0.43 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( -6.432 2.997 4.289) 8.291 0.988 ( -7.066 2.595 1.404) 7.658 1.116 ( -12.809 -1.472 7.081) 14.710 1.433 ( -6.839 0.409 8.934) 11.259 1.462 ( -1.046 -2.061 0.850) 2.463 1.595 ( -0.912 -3.000 2.597) 4.072 1.642 ( 4.079 -2.495 0.512) 4.809 1.655 ( 10.309 2.721 -5.230) 11.875 1.830 ( 3.580 1.386 -0.713) 3.905 2.096 ( -1.007 0.003 0.009) 1.007 2.158 ( -7.918 3.304 6.137) 10.548 2.188 ( -2.673 6.504 2.823) 7.577 2.313 ( 3.061 -6.037 -1.806) 7.006 2.348 ( 3.808 2.086 -4.020) 5.917 2.471 ( -3.659 2.959 1.252) 4.870 2.584 ( -6.266 1.237 -5.652) 8.528 2.724 ( 1.097 2.342 -3.428) 4.294 2.730 ( -2.061 -4.891 0.168) 5.310 2.883 ( 1.856 3.488 -4.433) 5.938 2.966 ( 1.560 -1.213 0.120) 1.980 3.120 ( 9.198 -1.060 -1.908) 9.453 3.144 ( 11.525 2.676 -8.997) 14.864 3.236 ( 2.638 -1.800 0.339) 3.211 3.309 ( 0.714 -4.135 -3.085) 5.208 3.759 ( 0.048 7.341 0.524) 7.360 3.830 ( 0.268 3.667 -0.718) 3.747 3.904 ( -0.838 -1.029 0.055) 1.328 4.057 ( 4.395 -3.521 -3.177) 6.466 4.232 ( -2.638 -1.693 0.473) 3.170 4.316 ( 1.891 -5.845 0.318) 6.152 4.397 ( -0.588 1.413 0.907) 1.779 4.436 ( -1.060 -2.526 0.900) 2.884 4.549 ( -0.955 -2.998 1.048) 3.316 4.633 ( -1.435 0.109 -0.648) 1.578 4.784 ( 0.834 1.163 3.466) 3.750 4.871 ( -1.263 -0.174 2.310) 2.639 4.917 ( -0.630 -4.365 -0.873) 4.496 5.016 ( -1.114 -2.211 2.772) 3.717 5.082 ( 0.601 -2.782 6.322) 6.933 5.126 ( -0.705 -1.446 0.806) 1.799 5.160 ( -0.184 3.743 -4.471) 5.834 5.189 ( -3.025 2.051 1.528) 3.961 5.267 ( -0.642 1.549 -1.276) 2.107 5.274 ( -2.586 1.869 -3.059) 4.420 5.362 ( 4.525 6.315 -0.169) 7.770 5.417 ( 1.605 2.577 -0.294) 3.051 5.675 ( -1.649 -5.701 0.709) 5.976 5.757 ( 0.021 0.005 0.806) 0.806 5.779 ( -0.316 -1.641 -0.406) 1.719 5.830 ( 0.314 -1.370 1.153) 1.818 5.970 ( 0.789 -0.570 3.367) 3.504 6.128 ( 0.022 -3.579 -2.140) 4.170 6.206 ( -3.122 4.931 2.933) 6.531 6.344 ( -0.677 3.662 5.621) 6.742 6.446 ( 1.767 -4.166 -1.745) 4.849 6.530 ( -4.039 -1.249 -2.499) 4.911 6.860 ( 0.486 13.169 -6.150) 14.542 7.237 ( 0.170 0.810 -0.664) 1.061 7.564 ( -0.946 -3.165 2.470) 4.125 7.701 ( 3.691 -6.801 2.600) 8.163 ======================= Grid point 82 (46/66) ======================= q-point: (-0.29 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( -12.207 2.846 10.544) 16.380 0.903 ( -13.039 0.536 9.687) 16.252 1.076 ( 2.879 -4.991 3.819) 6.912 1.369 ( -5.313 1.146 6.986) 8.851 1.424 ( -0.682 -4.305 1.741) 4.694 1.585 ( -2.430 0.976 2.014) 3.304 1.720 ( 2.631 -1.523 3.060) 4.314 1.836 ( 7.650 2.193 -1.872) 8.176 1.852 ( -4.984 4.908 6.358) 9.452 2.007 ( -4.460 -0.256 5.221) 6.872 2.079 ( -0.517 0.409 0.676) 0.944 2.183 ( -3.375 0.890 -1.772) 3.914 2.296 ( -0.953 11.014 -1.099) 11.110 2.419 ( 2.232 -2.493 -2.002) 3.899 2.438 ( 0.635 -0.587 -3.181) 3.296 2.505 ( 4.310 -0.186 -4.207) 6.026 2.720 ( 0.265 1.056 0.974) 1.461 2.753 ( 4.352 -3.188 -2.609) 5.992 2.912 ( 4.124 2.808 -3.188) 5.921 2.982 ( 1.865 -1.269 -3.102) 3.835 3.216 ( 3.225 5.131 -6.560) 8.931 3.238 ( -1.318 -4.262 -1.853) 4.831 3.317 ( 11.508 -3.168 -4.475) 12.747 3.439 ( 12.930 -4.392 1.430) 13.730 3.759 ( 0.056 7.951 -0.781) 7.990 3.821 ( 0.627 1.468 -1.643) 2.291 3.895 ( -0.150 3.198 -1.271) 3.444 4.087 ( 1.446 -2.103 -3.365) 4.223 4.168 ( -2.747 -2.197 -1.086) 3.681 4.340 ( -2.369 -5.735 0.893) 6.269 4.383 ( -0.850 -2.978 -0.143) 3.101 4.435 ( 0.459 -0.177 1.704) 1.774 4.533 ( -1.743 -3.654 1.778) 4.421 4.598 ( -1.524 -0.127 0.437) 1.590 4.747 ( -2.966 3.706 -1.277) 4.915 4.836 ( -4.320 1.125 0.252) 4.471 4.946 ( 0.284 -4.402 2.266) 4.960 4.972 ( -4.216 -1.325 -0.157) 4.422 5.051 ( -3.910 -3.781 -3.229) 6.325 5.091 ( -3.811 3.186 -1.200) 5.110 5.126 ( -1.746 0.895 1.511) 2.477 5.145 ( -2.215 -0.303 -2.092) 3.061 5.225 ( -1.434 -2.777 -0.815) 3.231 5.256 ( 0.752 2.897 2.414) 3.845 5.433 ( 0.681 2.291 -0.803) 2.521 5.470 ( 5.853 6.404 -0.147) 8.677 5.687 ( 1.185 -4.991 3.711) 6.332 5.762 ( -0.190 -1.288 0.533) 1.407 5.765 ( -0.160 0.538 -0.128) 0.575 5.822 ( -0.753 -0.060 0.419) 0.864 6.035 ( 1.657 -0.791 1.344) 2.276 6.142 ( 2.011 -2.650 -0.230) 3.335 6.181 ( -0.090 0.574 4.294) 4.333 6.340 ( -2.601 0.914 -0.339) 2.778 6.449 ( -0.527 1.742 6.969) 7.203 6.539 ( 0.722 -0.407 5.018) 5.086 6.832 ( 2.807 12.432 -8.077) 15.088 7.212 ( -1.859 0.614 -1.589) 2.521 7.528 ( -3.355 -2.557 0.209) 4.223 7.735 ( -0.521 -8.706 -3.236) 9.302 ======================= Grid point 83 (47/66) ======================= q-point: (-0.14 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( -7.559 0.113 14.695) 16.525 0.744 ( -11.979 0.141 11.148) 16.364 1.082 ( -3.852 -7.813 2.303) 9.010 1.306 ( -5.032 -6.053 5.371) 9.529 1.543 ( 3.512 -2.107 6.923) 8.044 1.572 ( 2.072 12.057 8.280) 14.773 1.744 ( -5.248 -2.167 1.173) 5.798 1.778 ( 0.430 2.025 4.733) 5.166 1.941 ( -5.516 2.411 5.078) 7.876 1.971 ( 2.311 2.398 0.569) 3.378 2.063 ( -4.034 2.735 1.156) 5.009 2.159 ( 4.231 -4.439 0.868) 6.194 2.297 ( 2.185 9.043 -3.558) 9.960 2.400 ( 1.612 1.786 -5.230) 5.757 2.467 ( 1.943 -0.108 0.409) 1.989 2.587 ( 4.079 -0.501 -2.238) 4.680 2.746 ( 2.632 0.437 -0.829) 2.793 2.837 ( 6.323 -3.824 -3.119) 8.021 2.969 ( 3.227 3.230 -5.701) 7.304 2.991 ( 2.379 -3.360 -2.808) 4.983 3.141 ( -3.879 -2.141 -5.760) 7.267 3.230 ( 1.096 1.590 -3.728) 4.199 3.484 ( 8.521 -1.987 -2.605) 9.129 3.659 ( 8.243 -3.181 -0.111) 8.836 3.743 ( -1.198 4.694 -2.187) 5.315 3.847 ( 3.573 3.266 -3.181) 5.793 3.879 ( -0.396 5.234 -0.627) 5.287 4.071 ( -0.647 -0.276 -1.524) 1.678 4.140 ( 1.281 -2.405 -1.577) 3.149 4.271 ( -4.122 -4.936 0.211) 6.434 4.318 ( -5.558 -5.665 -2.925) 8.459 4.437 ( -1.760 -6.709 1.212) 7.042 4.539 ( 0.787 3.167 1.646) 3.655 4.600 ( 0.335 0.445 3.053) 3.103 4.696 ( -1.965 3.422 0.141) 3.949 4.745 ( -4.686 0.138 -0.254) 4.695 4.860 ( -5.570 0.128 -0.121) 5.573 4.914 ( -3.629 -1.870 -2.227) 4.650 4.970 ( -3.792 0.765 -2.079) 4.391 5.013 ( -1.904 -3.987 -1.777) 4.762 5.078 ( -2.424 1.900 -1.397) 3.382 5.092 ( -1.958 0.981 -1.916) 2.910 5.179 ( -3.236 -7.151 -0.541) 7.867 5.314 ( 1.992 0.111 2.986) 3.591 5.421 ( -0.671 2.312 -0.503) 2.459 5.555 ( 1.534 6.199 0.482) 6.404 5.697 ( -0.135 -2.831 0.752) 2.933 5.756 ( -0.646 0.881 0.092) 1.096 5.839 ( 5.512 -1.532 0.753) 5.770 5.852 ( 2.869 2.457 4.551) 5.914 6.011 ( -2.388 -1.936 -1.313) 3.342 6.173 ( 0.448 0.514 1.391) 1.549 6.272 ( 1.409 -3.144 5.442) 6.441 6.304 ( 2.178 1.219 -0.891) 2.650 6.508 ( -0.666 2.287 8.800) 9.117 6.578 ( -1.009 1.676 8.258) 8.487 6.864 ( 6.612 8.592 -8.374) 13.699 7.151 ( -2.672 0.388 -2.757) 3.859 7.464 ( -3.046 -1.497 -0.721) 3.470 7.639 ( -5.115 -7.236 -5.673) 10.521 ======================= Grid point 84 (48/66) ======================= q-point: ( 0.00 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 1.893 9.412 4.817) 10.741 0.799 ( -0.208 6.376 6.177) 8.880 0.921 ( 1.635 -6.979 2.413) 7.563 1.014 ( 0.959 -16.574 -0.609) 16.612 1.612 ( -1.435 0.311 3.808) 4.081 1.629 ( -2.924 -1.454 4.448) 5.517 1.799 ( -4.173 1.007 3.653) 5.637 1.811 ( -5.622 0.395 6.348) 8.488 1.975 ( -2.731 8.533 7.074) 11.415 2.065 ( -0.816 0.575 2.170) 2.389 2.162 ( 4.608 -0.514 6.215) 7.754 2.190 ( 3.958 1.670 4.539) 6.250 2.384 ( 0.010 7.488 0.409) 7.499 2.479 ( 1.761 -1.608 -1.568) 2.854 2.532 ( 2.118 3.106 -1.822) 4.178 2.679 ( 1.432 -9.762 1.120) 9.929 2.701 ( 2.211 6.573 -2.638) 7.420 2.844 ( 4.193 -3.808 -3.358) 6.585 2.898 ( -2.467 0.931 -6.167) 6.707 2.971 ( 0.853 -4.611 -7.008) 8.432 3.058 ( -0.204 4.513 -8.688) 9.792 3.149 ( -1.359 -4.519 -8.176) 9.440 3.606 ( 2.757 3.515 -1.215) 4.630 3.684 ( 1.486 -3.399 0.827) 3.801 3.826 ( 1.885 6.831 -2.253) 7.436 3.911 ( -6.387 5.352 -2.479) 8.694 3.934 ( -0.708 -0.735 -2.843) 3.021 4.027 ( -4.057 -6.896 -1.316) 8.109 4.096 ( -0.903 1.584 0.316) 1.851 4.125 ( 1.021 -2.491 -0.635) 2.766 4.165 ( 1.805 -0.059 2.131) 2.794 4.260 ( -1.147 -7.325 0.877) 7.466 4.648 ( -1.061 1.507 1.002) 2.098 4.655 ( -0.325 1.279 0.082) 1.322 4.670 ( -1.537 3.490 1.559) 4.120 4.743 ( 1.001 -0.824 2.037) 2.414 4.751 ( -4.393 0.114 0.366) 4.409 4.843 ( 0.297 -6.295 -2.155) 6.660 4.887 ( -0.296 3.403 -0.589) 3.466 4.947 ( 0.083 -0.300 1.231) 1.270 4.979 ( -0.333 -1.522 -4.022) 4.314 5.019 ( 0.214 -3.530 -2.592) 4.385 5.201 ( 0.476 6.293 0.908) 6.376 5.300 ( -0.022 -3.843 1.996) 4.331 5.462 ( -1.513 3.639 0.046) 3.941 5.537 ( -1.434 -3.532 0.495) 3.844 5.756 ( 1.235 1.071 0.546) 1.724 5.765 ( -0.356 0.863 0.091) 0.938 5.885 ( 1.362 0.387 -2.040) 2.483 5.900 ( -0.813 -1.272 -1.919) 2.442 6.049 ( 2.644 2.971 4.708) 6.162 6.115 ( -0.173 -3.703 3.063) 4.809 6.339 ( -2.959 3.889 2.387) 5.439 6.406 ( 1.775 -1.973 0.684) 2.741 6.514 ( -2.969 3.274 6.342) 7.730 6.596 ( 1.459 -4.094 7.750) 8.885 7.053 ( 3.212 6.160 -7.044) 9.894 7.124 ( 2.753 -0.823 -7.297) 7.843 7.410 ( -1.529 0.519 0.717) 1.767 7.448 ( -2.123 -3.421 0.313) 4.038 ======================= Grid point 85 (49/66) ======================= q-point: ( 0.14 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( 6.059 6.296 3.565) 9.437 0.928 ( 7.745 1.726 2.426) 8.298 1.008 ( 8.764 -1.426 2.294) 9.171 1.164 ( 13.586 -13.436 -1.630) 19.177 1.574 ( -5.990 1.528 7.002) 9.341 1.609 ( -5.773 -1.448 10.547) 12.110 1.715 ( -6.488 -0.101 0.389) 6.501 1.726 ( -5.149 -1.172 0.113) 5.282 1.950 ( -3.778 7.175 2.916) 8.618 2.047 ( -3.055 -2.764 2.455) 4.796 2.273 ( 2.058 5.446 2.502) 6.337 2.298 ( 2.564 3.408 4.148) 5.950 2.363 ( -2.633 6.083 0.610) 6.656 2.482 ( -1.184 -3.212 -1.339) 3.676 2.571 ( 3.592 2.568 -1.563) 4.684 2.684 ( -2.166 -8.428 1.813) 8.889 2.708 ( 1.292 6.263 -2.149) 6.746 2.814 ( -0.051 -1.048 -5.725) 5.820 2.893 ( 2.920 -0.176 -1.212) 3.166 2.937 ( 1.489 -1.936 -6.693) 7.124 3.018 ( 1.877 -0.822 -6.277) 6.603 3.067 ( -0.981 -4.975 -7.297) 8.886 3.545 ( -7.058 5.008 -3.490) 9.331 3.630 ( -7.282 -2.408 -1.419) 7.800 3.785 ( -1.594 5.152 -1.232) 5.531 3.880 ( -3.413 -2.446 -1.746) 4.548 3.898 ( 2.984 3.963 2.108) 5.390 3.982 ( -0.868 -1.795 1.649) 2.588 4.096 ( 0.963 -0.816 -0.183) 1.276 4.112 ( -1.231 -1.111 -0.906) 1.889 4.224 ( 2.924 -0.744 1.703) 3.465 4.294 ( 3.913 -6.647 1.325) 7.826 4.615 ( -1.683 1.909 0.697) 2.639 4.627 ( -0.997 2.461 1.318) 2.964 4.657 ( -2.000 0.246 1.389) 2.448 4.715 ( 0.029 -4.045 0.976) 4.161 4.833 ( 3.685 1.727 2.302) 4.675 4.882 ( 1.901 -0.747 -0.839) 2.209 4.910 ( 4.064 -1.882 -0.528) 4.509 4.952 ( -0.045 -3.227 0.466) 3.261 5.013 ( 6.613 2.988 -1.263) 7.366 5.070 ( 6.673 -2.859 -0.592) 7.284 5.236 ( 2.618 5.857 0.380) 6.427 5.325 ( 1.136 -3.118 1.900) 3.824 5.426 ( -2.732 4.416 0.942) 5.277 5.522 ( -0.847 -4.626 1.185) 4.850 5.725 ( -3.508 2.256 -0.683) 4.226 5.765 ( -1.221 -1.444 -0.350) 1.923 5.825 ( -3.189 2.490 -1.284) 4.245 5.885 ( -1.168 -3.174 -1.506) 3.702 6.100 ( -0.103 1.712 0.630) 1.827 6.140 ( 0.265 -1.843 1.899) 2.659 6.253 ( -5.138 3.801 1.348) 6.532 6.339 ( -5.094 -4.650 0.987) 6.967 6.613 ( 4.237 7.887 7.001) 11.366 6.754 ( 6.197 -6.417 9.473) 13.012 7.028 ( 0.544 5.638 -8.834) 10.494 7.093 ( 0.580 -0.683 -10.217) 10.256 7.398 ( -0.535 0.720 1.636) 1.865 7.427 ( -0.672 -2.364 1.594) 2.929 ======================= Grid point 86 (50/66) ======================= q-point: ( 0.29 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( 6.975 2.960 3.830) 8.490 1.067 ( 6.511 -3.551 1.644) 7.597 1.245 ( 12.249 5.674 0.092) 13.500 1.383 ( 8.094 -5.930 -3.189) 10.528 1.487 ( -11.086 3.319 12.178) 16.799 1.564 ( -4.094 -2.652 7.936) 9.315 1.612 ( -4.534 -2.327 -1.732) 5.382 1.641 ( -1.234 -3.471 -3.874) 5.346 1.893 ( -3.353 6.759 1.659) 7.725 2.000 ( -2.219 -4.300 0.087) 4.840 2.229 ( -6.028 5.077 -0.416) 7.892 2.266 ( -4.811 -0.176 -4.595) 6.655 2.357 ( 0.536 5.005 1.627) 5.290 2.428 ( -2.217 0.362 -0.110) 2.249 2.625 ( 1.135 -0.182 1.954) 2.267 2.657 ( -0.789 -2.263 0.596) 2.470 2.757 ( 4.703 4.076 -0.540) 6.247 2.824 ( 3.504 -0.356 -3.358) 4.867 2.910 ( -0.396 1.289 -3.422) 3.678 2.948 ( 1.627 -2.817 0.227) 3.261 3.003 ( 0.506 -1.081 -6.148) 6.263 3.042 ( 2.385 -5.804 -2.970) 6.942 3.347 ( -8.977 6.973 -5.573) 12.660 3.449 ( -8.399 -2.749 -4.526) 9.929 3.796 ( 1.391 1.741 1.378) 2.620 3.833 ( 0.085 -2.326 -1.124) 2.584 3.940 ( 0.065 5.013 2.675) 5.683 3.968 ( -1.336 4.026 0.781) 4.313 4.099 ( 0.336 -3.249 -0.258) 3.276 4.144 ( 2.484 -8.019 1.396) 8.510 4.299 ( 3.973 2.245 1.353) 4.760 4.386 ( 4.673 -5.994 -0.360) 7.609 4.595 ( -1.528 3.795 2.173) 4.632 4.631 ( -1.433 1.096 1.607) 2.416 4.659 ( 1.677 0.660 3.595) 4.022 4.742 ( 1.290 -5.139 2.159) 5.722 4.880 ( 0.765 2.262 1.487) 2.812 4.921 ( 1.895 -0.736 0.718) 2.156 4.967 ( 2.100 -2.591 -0.203) 3.342 4.983 ( 3.949 -3.160 -0.785) 5.118 5.155 ( 6.672 2.705 1.132) 7.288 5.199 ( 5.462 -1.369 1.025) 5.724 5.294 ( 3.530 5.106 -1.045) 6.295 5.361 ( -0.418 -1.213 1.746) 2.167 5.390 ( 0.323 6.177 0.572) 6.212 5.525 ( 0.189 -5.828 1.107) 5.935 5.624 ( -5.887 2.785 -1.014) 6.591 5.698 ( -3.986 -4.142 -1.616) 5.971 5.793 ( -0.536 2.550 -0.141) 2.609 5.848 ( -1.570 -2.920 -0.961) 3.451 6.057 ( -3.157 1.842 -2.261) 4.298 6.112 ( -2.378 -3.365 -0.981) 4.235 6.238 ( 0.900 2.971 2.623) 4.064 6.292 ( -1.088 -2.634 1.913) 3.432 6.674 ( -5.004 9.207 6.871) 12.531 6.813 ( -7.328 -4.109 3.560) 9.124 7.015 ( 5.313 4.097 -8.800) 11.066 7.076 ( 7.118 -1.769 -4.758) 8.743 7.418 ( 1.253 0.283 2.253) 2.594 7.447 ( 1.239 -2.858 2.082) 3.746 ======================= Grid point 87 (51/66) ======================= q-point: (-0.57 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( -1.901 3.543 3.398) 5.264 1.143 ( -2.293 -2.838 2.668) 4.520 1.330 ( -9.545 5.923 3.211) 11.684 1.404 ( -0.028 2.532 6.854) 7.306 1.408 ( 1.896 -1.590 -2.189) 3.303 1.538 ( -2.177 -8.301 0.607) 8.604 1.567 ( 0.798 1.745 -3.660) 4.133 1.627 ( 0.131 -3.322 -3.465) 4.802 1.895 ( 2.650 7.312 1.257) 7.878 2.020 ( 6.276 -5.017 -1.778) 8.229 2.135 ( -2.946 0.144 0.853) 3.071 2.155 ( -3.519 -2.436 -0.858) 4.365 2.366 ( -1.248 4.952 3.472) 6.176 2.431 ( 2.805 3.393 -1.348) 4.604 2.627 ( -2.363 -0.495 2.772) 3.676 2.661 ( -1.414 1.807 1.946) 3.009 2.783 ( -6.421 1.653 -3.033) 7.291 2.809 ( -6.840 -0.283 0.334) 6.854 2.876 ( 2.712 -1.009 0.358) 2.916 2.923 ( 1.360 -3.517 -2.835) 4.717 3.022 ( 3.902 1.083 -4.753) 6.244 3.056 ( 3.855 -2.657 -6.685) 8.162 3.223 ( 0.463 5.163 -5.666) 7.680 3.309 ( -2.228 -2.488 -4.601) 5.685 3.829 ( 1.064 0.954 1.340) 1.959 3.874 ( 4.735 -3.245 -2.249) 6.165 3.938 ( -0.667 5.783 0.599) 5.852 3.974 ( 0.539 6.915 1.770) 7.159 4.114 ( 1.116 -6.413 0.321) 6.517 4.173 ( -0.283 -9.387 0.609) 9.411 4.377 ( 2.915 2.142 1.314) 3.849 4.439 ( 1.613 -3.385 -1.318) 3.975 4.568 ( -2.601 4.283 0.956) 5.101 4.633 ( -0.723 -1.559 2.286) 2.860 4.724 ( 1.543 2.603 5.113) 5.942 4.799 ( 2.330 -4.721 5.467) 7.590 4.907 ( 0.220 0.463 1.552) 1.635 4.934 ( 0.100 -2.428 0.160) 2.435 5.013 ( 1.975 0.083 1.178) 2.301 5.047 ( 2.731 -3.016 -0.058) 4.069 5.235 ( 1.529 3.009 1.352) 3.636 5.270 ( 1.452 -0.957 0.976) 1.994 5.314 ( -2.259 4.356 0.531) 4.935 5.340 ( -0.514 1.242 0.170) 1.355 5.444 ( 2.206 4.082 -0.548) 4.672 5.493 ( -0.559 6.615 -4.303) 7.911 5.573 ( -1.322 -6.753 1.459) 7.034 5.642 ( 0.991 -6.881 -2.049) 7.247 5.787 ( -0.151 1.629 0.036) 1.637 5.819 ( -1.004 -1.585 -0.335) 1.906 5.993 ( -1.713 2.649 -1.198) 3.374 6.066 ( -1.148 -4.605 -2.246) 5.250 6.287 ( 2.000 2.408 2.849) 4.233 6.317 ( 1.644 -0.823 3.444) 3.904 6.547 ( -10.187 6.161 2.426) 12.150 6.645 ( -9.704 -3.254 -1.426) 10.334 7.074 ( 5.202 8.853 -4.442) 11.188 7.192 ( 5.094 -2.781 -0.322) 5.812 7.471 ( 2.096 -1.357 2.475) 3.516 7.496 ( 2.280 -4.355 2.094) 5.343 ======================= Grid point 88 (52/66) ======================= q-point: (-0.43 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( -3.747 2.261 2.512) 5.046 1.043 ( -8.131 1.749 3.050) 8.859 1.135 ( -13.809 6.053 4.801) 15.823 1.318 ( -9.426 -10.168 4.624) 14.616 1.471 ( -2.083 1.389 3.461) 4.271 1.511 ( -0.694 -2.769 -0.330) 2.874 1.627 ( 5.172 -0.290 -2.044) 5.569 1.641 ( 9.986 -1.899 -4.193) 10.996 1.972 ( 4.406 9.366 -0.240) 10.353 2.097 ( -1.612 -0.721 0.855) 1.962 2.149 ( 5.617 -3.340 -0.807) 6.584 2.185 ( 5.428 -5.224 1.402) 7.663 2.333 ( -8.626 10.667 6.217) 15.061 2.492 ( 2.639 6.446 -2.459) 7.386 2.526 ( -5.587 -2.671 1.279) 6.323 2.577 ( -9.576 -4.378 -2.190) 10.754 2.624 ( -3.907 3.311 4.948) 7.121 2.740 ( -0.609 -2.544 0.684) 2.704 2.932 ( 3.629 1.720 -4.515) 6.043 2.965 ( 4.110 -0.677 -3.340) 5.339 3.090 ( 7.956 -1.409 -4.636) 9.315 3.099 ( 5.746 -3.731 -6.131) 9.194 3.237 ( 4.420 2.937 -3.754) 6.501 3.288 ( 2.208 -1.247 -3.368) 4.216 3.849 ( 0.583 2.863 -0.956) 3.074 3.918 ( 1.592 4.321 -1.350) 4.799 3.968 ( 3.785 -1.693 -2.398) 4.790 3.998 ( 1.240 7.345 0.634) 7.476 4.137 ( -0.059 -9.566 0.261) 9.570 4.155 ( -0.480 -6.372 0.309) 6.397 4.403 ( -1.689 -0.061 0.810) 1.874 4.433 ( -1.159 -1.854 -0.683) 2.290 4.534 ( -1.528 3.939 2.126) 4.730 4.616 ( -1.986 -2.776 1.405) 3.692 4.803 ( 2.463 1.982 5.776) 6.585 4.866 ( -0.052 -2.619 1.808) 3.183 4.883 ( -1.220 2.404 -1.032) 2.887 4.958 ( 0.205 -4.190 1.950) 4.626 5.039 ( -1.133 -0.151 2.963) 3.176 5.069 ( -0.394 -2.873 0.419) 2.930 5.236 ( -3.993 2.663 1.121) 4.929 5.260 ( -0.871 3.444 -0.348) 3.570 5.279 ( -2.808 0.241 1.015) 2.996 5.305 ( -2.098 0.459 -0.038) 2.148 5.447 ( 1.909 3.898 -0.908) 4.435 5.526 ( 4.454 7.024 -5.070) 9.741 5.550 ( -0.424 -5.950 0.529) 5.988 5.673 ( 2.234 -7.112 -2.124) 7.751 5.788 ( 0.201 1.277 0.349) 1.338 5.809 ( -0.052 -0.870 0.481) 0.995 5.987 ( 1.061 1.970 0.918) 2.419 6.042 ( 0.537 -3.765 -2.735) 4.684 6.322 ( -2.685 5.114 2.327) 6.228 6.390 ( 0.625 -2.405 2.930) 3.842 6.413 ( -2.949 3.688 5.305) 7.102 6.487 ( -4.807 -3.354 0.911) 5.932 7.107 ( 1.363 11.282 -4.155) 12.099 7.240 ( 0.763 -1.868 -1.400) 2.456 7.503 ( -0.206 -1.847 1.082) 2.150 7.551 ( 1.892 -6.884 0.601) 7.164 ======================= Grid point 89 (53/66) ======================= q-point: (-0.29 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( -11.639 7.792 5.824) 15.169 0.923 ( -10.830 1.576 6.910) 12.943 1.006 ( -4.133 -0.483 4.967) 6.480 1.183 ( -7.959 -13.287 4.651) 16.172 1.462 ( 1.525 3.322 2.265) 4.300 1.532 ( 3.258 -3.884 -0.638) 5.109 1.741 ( 5.222 2.148 2.711) 6.264 1.798 ( 7.474 -3.522 -0.327) 8.268 2.035 ( 1.798 5.312 0.513) 5.631 2.077 ( -2.385 -0.282 2.276) 3.309 2.103 ( -14.282 10.828 8.922) 20.020 2.188 ( -2.326 0.989 -0.674) 2.616 2.340 ( 5.260 -4.103 -1.853) 6.923 2.372 ( -0.962 -5.067 -1.337) 5.328 2.526 ( 0.678 3.490 -0.921) 3.672 2.567 ( 1.876 12.013 -0.730) 12.180 2.626 ( 1.533 -6.786 3.992) 8.021 2.736 ( 1.160 -3.481 -2.093) 4.224 2.950 ( 2.174 2.302 -4.564) 5.554 3.000 ( 3.071 -1.005 -5.408) 6.300 3.152 ( 2.396 -0.497 -3.569) 4.328 3.204 ( 5.442 -3.368 -3.961) 7.526 3.339 ( 8.435 1.460 -5.360) 10.100 3.368 ( 11.063 -2.549 -0.631) 11.371 3.842 ( 0.196 5.122 -1.747) 5.415 3.937 ( 1.566 3.097 -2.385) 4.211 3.990 ( 0.660 3.711 -1.021) 3.905 4.032 ( 2.503 2.038 -2.398) 4.021 4.102 ( -1.608 -4.443 -0.966) 4.823 4.186 ( 1.393 -9.133 1.540) 9.366 4.331 ( -5.644 -0.649 -0.555) 5.708 4.375 ( -4.631 -4.501 -0.726) 6.499 4.554 ( 1.099 3.693 3.397) 5.137 4.599 ( -1.111 -0.469 2.424) 2.708 4.821 ( -2.159 2.913 -2.408) 4.352 4.852 ( -2.467 -0.961 -0.389) 2.676 4.880 ( 1.023 0.024 3.240) 3.397 4.933 ( -3.229 -2.979 -1.207) 4.556 4.998 ( -4.465 0.007 0.677) 4.516 5.052 ( -2.402 -4.483 1.151) 5.214 5.143 ( -5.707 2.435 -0.957) 6.278 5.182 ( -5.556 -1.606 -0.833) 5.843 5.244 ( -1.678 4.710 -0.286) 5.009 5.293 ( -0.717 0.033 1.758) 1.899 5.484 ( 1.899 3.254 -2.412) 4.474 5.555 ( 2.757 -1.274 -1.337) 3.319 5.606 ( 4.230 1.201 1.240) 4.569 5.692 ( 1.948 -4.761 -0.692) 5.190 5.802 ( 0.887 1.853 0.859) 2.227 5.823 ( 1.041 -0.245 1.188) 1.599 6.025 ( 1.222 -0.252 -0.360) 1.299 6.045 ( 1.846 -3.132 -1.086) 3.794 6.265 ( -2.332 4.337 2.843) 5.686 6.328 ( -3.324 -2.025 0.942) 4.005 6.496 ( 1.546 2.497 9.001) 9.468 6.531 ( 1.926 -0.954 7.914) 8.201 7.071 ( -0.362 11.109 -6.638) 12.946 7.208 ( -1.871 -2.391 -3.767) 4.839 7.484 ( -1.968 -0.780 -0.241) 2.130 7.553 ( -1.202 -8.103 -1.906) 8.411 ======================= Grid point 90 (54/66) ======================= q-point: (-0.14 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( -7.934 6.521 5.946) 11.867 0.816 ( -7.077 4.643 8.531) 12.017 0.939 ( -4.569 -4.765 1.484) 6.766 1.081 ( -7.365 -13.723 4.788) 16.293 1.556 ( 4.489 2.171 3.221) 5.936 1.609 ( 4.153 -3.092 -0.244) 5.184 1.822 ( -1.087 2.331 5.789) 6.335 1.849 ( -4.186 2.095 6.429) 7.953 1.973 ( -6.290 6.046 11.553) 14.477 2.056 ( 2.381 3.370 -1.469) 4.380 2.068 ( -0.575 -2.153 3.738) 4.352 2.141 ( -0.265 0.754 0.103) 0.806 2.367 ( 1.621 3.034 -0.646) 3.499 2.443 ( 3.724 -2.515 -1.415) 4.711 2.520 ( 0.213 4.863 -0.936) 4.957 2.621 ( 3.867 3.349 0.100) 5.117 2.673 ( 1.419 -3.947 0.518) 4.226 2.779 ( 5.394 -3.887 -4.033) 7.776 2.951 ( 0.988 0.470 -4.180) 4.321 2.997 ( 1.750 -2.362 -7.314) 7.883 3.128 ( -0.626 3.515 -6.392) 7.322 3.214 ( 0.828 -3.605 -7.246) 8.136 3.495 ( 9.303 2.777 -1.578) 9.836 3.574 ( 9.697 -4.834 -0.548) 10.849 3.837 ( 0.319 6.062 -1.905) 6.362 3.936 ( 0.576 0.602 -2.442) 2.580 3.993 ( -0.142 5.648 -0.710) 5.695 4.053 ( 1.689 0.300 -2.414) 2.961 4.089 ( 1.077 -1.689 -0.106) 2.005 4.186 ( -3.256 -6.965 -1.401) 7.816 4.203 ( -6.890 -0.596 -0.728) 6.954 4.285 ( -3.078 -7.562 0.820) 8.205 4.606 ( 1.589 2.511 2.635) 3.972 4.615 ( 1.124 1.026 3.202) 3.545 4.748 ( -3.508 2.741 -3.649) 5.756 4.785 ( -4.034 1.545 -0.192) 4.324 4.846 ( -4.543 -1.182 -1.203) 4.846 4.894 ( -1.556 -4.694 0.160) 4.947 4.918 ( -3.337 2.039 -0.059) 3.911 4.984 ( -5.522 -2.088 1.632) 6.125 5.036 ( -2.787 -0.109 -4.074) 4.937 5.078 ( -4.237 -3.516 -2.053) 5.876 5.209 ( -1.651 5.832 0.160) 6.063 5.294 ( -0.558 -2.662 1.705) 3.210 5.482 ( -0.159 3.968 -1.433) 4.221 5.564 ( -1.058 -3.839 -0.579) 4.024 5.698 ( 4.257 2.482 1.085) 5.046 5.749 ( 2.376 -2.235 0.677) 3.331 5.837 ( 3.068 2.091 -0.512) 3.748 5.877 ( 3.489 -0.842 1.595) 3.928 6.011 ( -1.195 2.372 0.617) 2.727 6.090 ( 0.973 -5.314 2.943) 6.152 6.298 ( 2.687 2.652 3.128) 4.902 6.327 ( 2.488 -0.033 1.271) 2.794 6.551 ( -3.688 2.427 8.858) 9.898 6.588 ( -2.961 -0.934 8.664) 9.204 7.037 ( 3.099 8.146 -7.833) 11.718 7.142 ( -0.371 -2.305 -6.095) 6.527 7.441 ( -2.101 0.013 -0.189) 2.110 7.497 ( -2.643 -5.977 -1.721) 6.759 ======================= Grid point 105 (55/66) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( -0.000 0.000 0.000) 0.000 0.998 ( 0.000 0.000 0.000) 0.000 1.121 ( -0.000 0.000 0.000) 0.000 1.516 ( 0.000 0.000 0.000) 0.000 1.619 ( 0.000 0.000 0.000) 0.000 1.658 ( -0.000 0.000 0.000) 0.000 1.792 ( 0.000 0.000 -0.000) 0.000 1.803 ( -0.000 0.000 0.000) 0.000 1.892 ( -0.000 0.000 0.000) 0.000 1.907 ( 0.000 0.000 0.000) 0.000 2.047 ( 0.000 0.000 0.000) 0.000 2.249 ( 0.000 0.000 -0.000) 0.000 2.297 ( -0.000 0.000 0.000) 0.000 2.307 ( -0.000 0.000 0.000) 0.000 2.527 ( 0.000 0.000 0.000) 0.000 2.540 ( 0.000 0.000 0.000) 0.000 2.790 ( 0.000 0.000 0.000) 0.000 2.797 ( 0.000 0.000 0.000) 0.000 2.864 ( 0.000 0.000 0.000) 0.000 2.934 ( -0.000 0.000 0.000) 0.000 3.086 ( -0.000 0.000 0.000) 0.000 3.249 ( -0.000 0.000 0.000) 0.000 3.493 ( -0.000 0.000 0.000) 0.000 3.663 ( 0.000 0.000 0.000) 0.000 3.752 ( -0.000 0.000 0.000) 0.000 3.760 ( -0.000 0.000 0.000) 0.000 3.787 ( 0.000 0.000 0.000) 0.000 4.055 ( -0.000 0.000 0.000) 0.000 4.171 ( 0.000 0.000 0.000) 0.000 4.222 ( -0.000 0.000 0.000) 0.000 4.303 ( 0.000 0.000 0.000) 0.000 4.409 ( -0.000 0.000 0.000) 0.000 4.575 ( -0.000 0.000 0.000) 0.000 4.661 ( 0.000 0.000 0.000) 0.000 4.720 ( -0.000 0.000 0.000) 0.000 4.725 ( 0.000 0.000 0.000) 0.000 4.808 ( 0.000 0.000 0.000) 0.000 4.881 ( -0.000 0.000 0.000) 0.000 4.885 ( 0.000 0.000 0.000) 0.000 4.932 ( 0.000 0.000 0.000) 0.000 4.972 ( 0.000 0.000 0.000) 0.000 5.026 ( -0.000 0.000 0.000) 0.000 5.355 ( 0.000 0.000 0.000) 0.000 5.362 ( 0.000 0.000 0.000) 0.000 5.383 ( -0.000 0.000 0.000) 0.000 5.417 ( 0.000 0.000 0.000) 0.000 5.740 ( -0.000 0.000 0.000) 0.000 5.742 ( 0.000 0.000 0.000) 0.000 5.849 ( 0.000 0.000 0.000) 0.000 5.970 ( -0.000 0.000 0.000) 0.000 6.108 ( 0.000 0.000 0.000) 0.000 6.132 ( -0.000 0.000 -0.000) 0.000 6.190 ( -0.000 0.000 0.000) 0.000 6.550 ( -0.000 0.000 0.000) 0.000 6.605 ( -0.000 0.000 0.000) 0.000 6.623 ( 0.000 0.000 -0.000) 0.000 6.911 ( -0.000 0.000 -0.000) 0.000 6.944 ( 0.000 0.000 0.000) 0.000 7.412 ( 0.000 0.000 0.000) 0.000 7.526 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 107 (56/66) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( 11.051 0.000 -2.992) 11.449 1.021 ( 4.067 0.000 -3.946) 5.667 1.183 ( 5.033 0.000 2.813) 5.766 1.446 ( -5.689 0.000 -2.765) 6.325 1.586 ( -3.068 0.000 -5.717) 6.488 1.659 ( 0.575 0.000 4.158) 4.197 1.806 ( -1.783 0.000 8.048) 8.244 1.817 ( -6.044 0.000 -0.509) 6.066 1.836 ( 3.487 0.000 -3.315) 4.811 1.995 ( 7.675 0.000 1.240) 7.775 2.028 ( 0.407 0.000 -6.752) 6.764 2.226 ( -4.878 0.000 0.474) 4.901 2.238 ( -3.174 0.000 -4.332) 5.370 2.292 ( 2.984 0.000 -1.705) 3.436 2.497 ( -6.282 0.000 5.323) 8.234 2.547 ( 2.591 0.000 -5.850) 6.398 2.746 ( -2.064 0.000 -2.618) 3.334 2.845 ( 2.357 0.000 4.649) 5.212 2.874 ( -1.512 0.000 2.332) 2.779 2.919 ( 0.273 0.000 -4.076) 4.085 3.102 ( -0.797 0.000 2.654) 2.771 3.230 ( 0.165 0.000 -1.192) 1.203 3.421 ( -9.084 0.000 3.138) 9.611 3.645 ( -0.248 0.000 -1.030) 1.060 3.682 ( -9.454 0.000 4.078) 10.296 3.774 ( 0.779 0.000 0.067) 0.782 3.816 ( 2.718 0.000 0.041) 2.718 4.053 ( -0.725 0.000 0.364) 0.811 4.124 ( -1.919 0.000 1.111) 2.218 4.260 ( 1.715 0.000 5.327) 5.597 4.343 ( 4.947 0.000 0.134) 4.949 4.511 ( 1.700 0.000 1.597) 2.333 4.524 ( 0.708 0.000 -0.032) 0.709 4.659 ( -0.096 0.000 -0.890) 0.895 4.684 ( 0.459 0.000 -3.432) 3.463 4.772 ( 3.017 0.000 0.423) 3.047 4.880 ( 2.175 0.000 -0.580) 2.251 4.885 ( 4.488 0.000 0.271) 4.496 4.923 ( 2.889 0.000 0.530) 2.937 4.981 ( 1.840 0.000 -0.188) 1.850 5.001 ( 4.801 0.000 1.963) 5.186 5.056 ( 2.162 0.000 1.990) 2.938 5.335 ( -1.575 0.000 0.963) 1.846 5.348 ( -1.287 0.000 0.845) 1.540 5.417 ( 1.021 0.000 -1.274) 1.632 5.419 ( 0.360 0.000 -0.206) 0.415 5.728 ( -0.443 0.000 0.988) 1.083 5.741 ( 0.103 0.000 0.267) 0.286 5.847 ( -1.322 0.000 0.911) 1.606 5.927 ( -2.691 0.000 -3.202) 4.182 6.106 ( 2.210 0.000 -3.620) 4.241 6.154 ( -1.837 0.000 -2.069) 2.767 6.179 ( 1.463 0.000 4.965) 5.176 6.486 ( -5.739 0.000 -1.144) 5.852 6.554 ( -7.688 0.000 9.092) 11.906 6.624 ( 2.825 0.000 -10.131) 10.518 6.802 ( -1.814 0.000 -11.616) 11.757 7.078 ( 5.326 0.000 6.019) 8.037 7.440 ( 2.242 0.000 2.444) 3.316 7.572 ( 3.089 0.000 5.066) 5.933 ======================= Grid point 108 (57/66) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 9.824 0.000 -9.518) 13.679 1.081 ( 3.782 0.000 -3.928) 5.453 1.272 ( -7.090 0.000 -6.174) 9.401 1.320 ( 7.689 0.000 1.656) 7.865 1.500 ( -4.258 0.000 1.062) 4.388 1.671 ( -0.054 0.000 -1.484) 1.485 1.722 ( -7.790 0.000 8.962) 11.874 1.822 ( -5.605 0.000 7.743) 9.559 1.853 ( 1.248 0.000 -1.539) 1.982 1.970 ( 1.646 0.000 -12.162) 12.273 2.144 ( 4.786 0.000 4.205) 6.371 2.171 ( -1.791 0.000 1.617) 2.413 2.222 ( 10.558 0.000 -11.037) 15.274 2.323 ( -2.930 0.000 5.149) 5.924 2.400 ( -4.311 0.000 1.857) 4.694 2.543 ( 2.821 0.000 -8.748) 9.191 2.697 ( -1.655 0.000 -1.490) 2.227 2.836 ( -3.088 0.000 0.551) 3.136 2.857 ( -1.077 0.000 -3.978) 4.121 2.945 ( 2.473 0.000 2.577) 3.572 3.076 ( -2.196 0.000 0.971) 2.401 3.201 ( -11.748 0.000 3.930) 12.387 3.279 ( -1.618 0.000 3.461) 3.820 3.487 ( -13.068 0.000 1.549) 13.159 3.657 ( 2.096 0.000 -0.651) 2.195 3.767 ( -1.347 0.000 0.845) 1.590 3.878 ( 4.385 0.000 -0.760) 4.451 4.054 ( -0.452 0.000 2.197) 2.243 4.153 ( 3.030 0.000 1.931) 3.593 4.345 ( 3.909 0.000 3.156) 5.024 4.428 ( -4.417 0.000 -1.491) 4.662 4.450 ( 3.906 0.000 2.379) 4.574 4.603 ( 0.955 0.000 1.010) 1.390 4.637 ( -0.590 0.000 -2.613) 2.678 4.706 ( 3.191 0.000 -0.583) 3.244 4.833 ( 3.664 0.000 0.519) 3.700 4.945 ( 1.142 0.000 0.814) 1.402 4.973 ( 6.391 0.000 2.207) 6.761 4.989 ( 4.637 0.000 0.469) 4.660 5.021 ( 2.311 0.000 0.607) 2.389 5.108 ( 4.993 0.000 1.061) 5.104 5.125 ( 3.005 0.000 1.816) 3.511 5.307 ( -1.624 0.000 -2.158) 2.701 5.316 ( -2.905 0.000 0.752) 3.000 5.356 ( -5.862 0.000 -0.971) 5.942 5.424 ( 0.140 0.000 -0.014) 0.141 5.748 ( 0.263 0.000 0.526) 0.588 5.776 ( 3.195 0.000 3.455) 4.706 5.808 ( -2.276 0.000 -0.871) 2.437 5.851 ( -2.127 0.000 -4.161) 4.673 6.112 ( -2.128 0.000 -0.669) 2.231 6.132 ( 3.057 0.000 -3.299) 4.497 6.242 ( 1.551 0.000 4.944) 5.182 6.357 ( -5.777 0.000 -2.913) 6.469 6.470 ( -7.484 0.000 7.211) 10.393 6.580 ( 0.226 0.000 -8.887) 8.890 6.703 ( -0.146 0.000 -8.946) 8.948 7.181 ( 2.794 0.000 1.853) 3.353 7.525 ( 4.255 0.000 3.274) 5.368 7.691 ( 3.476 0.000 7.536) 8.299 ======================= Grid point 109 (58/66) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( -6.145 0.000 -2.153) 6.511 1.092 ( 3.956 0.000 -7.511) 8.489 1.283 ( 7.938 0.000 -4.692) 9.221 1.429 ( -2.385 0.000 3.540) 4.268 1.505 ( 9.412 0.000 -1.026) 9.468 1.571 ( -8.413 0.000 3.040) 8.945 1.689 ( -10.868 0.000 2.887) 11.245 1.716 ( 0.444 0.000 2.632) 2.669 1.874 ( 0.198 0.000 1.280) 1.295 1.929 ( 0.910 0.000 -5.895) 5.965 2.164 ( -0.161 0.000 0.504) 0.529 2.259 ( -4.129 0.000 3.302) 5.287 2.269 ( 4.498 0.000 3.315) 5.588 2.360 ( 7.337 0.000 -6.858) 10.043 2.399 ( 0.698 0.000 0.519) 0.870 2.551 ( 5.012 0.000 -6.353) 8.092 2.657 ( -2.600 0.000 0.716) 2.697 2.799 ( -0.000 0.000 -0.933) 0.933 2.811 ( -0.741 0.000 -2.287) 2.404 2.975 ( -10.516 0.000 3.572) 11.106 2.990 ( 0.796 0.000 1.078) 1.340 3.081 ( -0.460 0.000 2.040) 2.091 3.270 ( -6.590 0.000 2.834) 7.173 3.305 ( -1.048 0.000 -2.154) 2.395 3.698 ( 2.198 0.000 -0.678) 2.301 3.749 ( -1.431 0.000 1.247) 1.899 3.947 ( 2.883 0.000 -0.863) 3.009 4.054 ( -0.969 0.000 1.469) 1.760 4.235 ( 4.078 0.000 1.479) 4.338 4.336 ( -4.223 0.000 -1.424) 4.457 4.433 ( 3.390 0.000 1.470) 3.695 4.484 ( -0.967 0.000 -0.185) 0.985 4.603 ( -0.449 0.000 0.066) 0.454 4.616 ( -0.122 0.000 -0.816) 0.825 4.776 ( 3.187 0.000 0.601) 3.243 4.891 ( 1.743 0.000 0.286) 1.766 4.956 ( -0.249 0.000 1.259) 1.283 5.049 ( 1.250 0.000 -0.481) 1.340 5.099 ( 3.945 0.000 2.082) 4.460 5.111 ( 5.821 0.000 1.854) 6.109 5.175 ( 1.407 0.000 1.155) 1.820 5.181 ( 1.962 0.000 0.804) 2.121 5.223 ( -3.137 0.000 -3.646) 4.810 5.250 ( -4.060 0.000 -0.549) 4.097 5.263 ( -3.697 0.000 -0.295) 3.709 5.423 ( -0.103 0.000 -0.056) 0.117 5.757 ( 0.190 0.000 0.578) 0.609 5.772 ( -0.642 0.000 -0.697) 0.948 5.801 ( -0.620 0.000 -2.210) 2.295 5.856 ( 1.995 0.000 2.571) 3.254 6.064 ( -1.865 0.000 -0.428) 1.913 6.159 ( 1.470 0.000 -1.682) 2.234 6.254 ( -2.745 0.000 -2.159) 3.493 6.307 ( 2.210 0.000 2.997) 3.724 6.392 ( -4.605 0.000 2.629) 5.303 6.524 ( -0.543 0.000 -4.067) 4.103 6.671 ( 0.755 0.000 -3.032) 3.125 7.221 ( 0.878 0.000 0.416) 0.971 7.618 ( 2.925 0.000 1.449) 3.264 7.768 ( 0.412 0.000 3.392) 3.417 ======================= Grid point 113 (59/66) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( -0.000 2.100 0.000) 2.100 0.891 ( 0.000 -7.475 0.000) 7.475 1.081 ( -0.000 -4.741 0.000) 4.741 1.287 ( 0.000 -16.645 0.000) 16.645 1.599 ( 0.000 1.015 0.000) 1.015 1.756 ( -0.000 4.323 0.000) 4.323 1.764 ( 0.000 -5.397 0.000) 5.397 1.914 ( -0.000 3.490 -0.000) 3.490 1.917 ( 0.000 11.159 0.000) 11.159 2.019 ( 0.000 4.374 0.000) 4.374 2.158 ( 0.000 11.524 0.000) 11.524 2.255 ( 0.000 -2.127 0.000) 2.127 2.306 ( -0.000 1.463 0.000) 1.463 2.307 ( -0.000 4.901 0.000) 4.901 2.526 ( 0.000 -1.926 0.000) 1.926 2.545 ( 0.000 1.100 0.000) 1.100 2.810 ( 0.000 1.637 -0.000) 1.637 2.822 ( -0.000 2.790 0.000) 2.790 2.841 ( 0.000 -2.387 0.000) 2.387 2.878 ( -0.000 -5.034 0.000) 5.034 3.032 ( -0.000 -5.168 0.000) 5.168 3.188 ( 0.000 -6.139 0.000) 6.139 3.514 ( -0.000 2.488 0.000) 2.488 3.671 ( -0.000 1.984 0.000) 1.984 3.788 ( 0.000 2.727 0.000) 2.727 3.801 ( -0.000 1.735 0.000) 1.735 3.839 ( 0.000 5.001 0.000) 5.001 4.050 ( -0.000 0.245 0.000) 0.245 4.145 ( 0.000 -2.225 0.000) 2.225 4.206 ( -0.000 -7.785 0.000) 7.785 4.211 ( 0.000 -1.166 -0.000) 1.166 4.386 ( 0.000 -4.386 0.000) 4.386 4.598 ( -0.000 3.384 0.000) 3.384 4.646 ( -0.000 -2.828 0.000) 2.828 4.702 ( 0.000 2.372 0.000) 2.372 4.780 ( 0.000 1.090 0.000) 1.090 4.786 ( -0.000 -2.441 -0.000) 2.441 4.840 ( 0.000 -0.963 0.000) 0.963 4.872 ( 0.000 -0.689 0.000) 0.689 4.922 ( -0.000 -1.446 0.000) 1.446 5.003 ( -0.000 -1.670 0.000) 1.670 5.072 ( -0.000 7.188 0.000) 7.188 5.123 ( 0.000 -9.823 0.000) 9.823 5.377 ( 0.000 -1.076 0.000) 1.076 5.421 ( 0.000 0.894 0.000) 0.894 5.557 ( -0.000 5.232 0.000) 5.232 5.727 ( 0.000 0.100 0.000) 0.100 5.747 ( -0.000 0.663 0.000) 0.663 5.853 ( 0.000 0.430 0.000) 0.430 5.938 ( -0.000 -3.358 0.000) 3.358 6.079 ( 0.000 0.097 0.000) 0.097 6.150 ( -0.000 1.250 0.000) 1.250 6.289 ( -0.000 6.657 0.000) 6.657 6.431 ( -0.000 -5.528 0.000) 5.528 6.613 ( -0.000 -0.838 0.000) 0.838 6.692 ( 0.000 2.354 -0.000) 2.354 6.943 ( -0.000 2.889 -0.000) 2.889 6.957 ( 0.000 1.663 0.000) 1.663 7.411 ( 0.000 -0.009 0.000) 0.009 7.502 ( 0.000 -2.258 0.000) 2.258 ======================= Grid point 115 (60/66) ======================= q-point: ( 0.14 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 11.166 2.418 -2.927) 11.794 0.946 ( 6.763 -5.837 -3.532) 9.606 1.084 ( 1.892 -8.266 -0.534) 8.496 1.361 ( 6.342 -9.711 -0.657) 11.617 1.585 ( -2.282 -0.884 0.668) 2.537 1.647 ( -7.528 2.460 -3.234) 8.555 1.795 ( -0.137 -0.559 2.452) 2.519 1.861 ( -4.385 1.272 2.825) 5.369 1.914 ( -3.143 6.489 4.110) 8.299 2.054 ( 4.143 6.237 -2.427) 7.871 2.135 ( -0.555 4.672 -6.446) 7.980 2.191 ( -4.694 0.913 0.258) 4.789 2.277 ( -0.227 4.429 -2.943) 5.323 2.347 ( 5.265 5.455 -3.832) 8.495 2.508 ( -6.356 0.974 3.867) 7.504 2.534 ( 2.230 -1.885 -4.594) 5.444 2.752 ( -2.522 0.237 -2.452) 3.526 2.821 ( -0.752 -1.899 2.399) 3.151 2.871 ( 1.247 -1.522 -1.782) 2.654 2.911 ( 0.495 0.615 3.785) 3.867 3.052 ( 0.995 -4.719 2.392) 5.384 3.182 ( -0.025 -5.061 1.029) 5.165 3.431 ( -9.064 1.712 1.246) 9.308 3.655 ( -9.313 -1.711 0.526) 9.483 3.703 ( 1.590 4.019 1.492) 4.572 3.816 ( -1.182 3.562 -0.401) 3.774 3.862 ( 0.829 4.777 1.087) 4.968 4.052 ( -1.405 -0.442 0.533) 1.566 4.113 ( -1.681 -1.152 0.726) 2.164 4.203 ( 3.667 -4.748 4.796) 7.681 4.297 ( 4.624 -4.303 -0.214) 6.320 4.446 ( 3.373 -6.660 0.659) 7.494 4.557 ( -2.326 3.815 -0.407) 4.486 4.660 ( 1.253 -0.723 -0.333) 1.484 4.687 ( -0.793 -0.202 0.464) 0.941 4.765 ( 1.872 0.592 -1.536) 2.493 4.850 ( 2.608 -0.835 0.446) 2.775 4.882 ( 4.278 -1.106 0.346) 4.432 4.936 ( 3.469 1.265 0.871) 3.794 4.967 ( 5.520 -2.860 1.303) 6.352 5.034 ( 2.756 -0.849 1.792) 3.396 5.089 ( 1.740 6.503 -0.780) 6.777 5.170 ( 3.846 -7.619 0.905) 8.583 5.359 ( -1.669 0.077 -0.964) 1.929 5.414 ( -0.713 0.371 0.774) 1.116 5.560 ( -0.831 5.607 0.127) 5.669 5.699 ( -1.448 -2.031 0.400) 2.526 5.755 ( 0.379 1.139 0.138) 1.208 5.827 ( -2.912 -1.691 0.746) 3.449 5.921 ( -2.312 -1.282 -1.157) 2.886 6.037 ( -0.324 -1.591 -3.668) 4.011 6.184 ( 0.493 0.733 1.304) 1.575 6.251 ( -2.921 3.385 2.083) 4.933 6.386 ( -2.977 -4.300 -3.999) 6.583 6.604 ( -1.275 3.651 5.572) 6.783 6.718 ( 2.616 5.825 -7.343) 9.731 6.842 ( -3.750 3.807 -9.553) 10.946 7.056 ( 4.382 -2.148 6.883) 8.437 7.432 ( 1.713 -0.639 1.943) 2.667 7.534 ( 2.113 -3.511 3.776) 5.572 ======================= Grid point 116 (61/66) ======================= q-point: ( 0.29 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( 10.271 1.222 -10.936) 15.053 1.066 ( 6.235 -1.276 -3.711) 7.367 1.140 ( 3.507 -6.531 -1.716) 7.609 1.439 ( 0.688 4.147 -0.626) 4.250 1.465 ( -3.996 -4.170 -1.576) 5.987 1.580 ( 0.491 -4.771 0.993) 4.898 1.723 ( -9.509 0.994 3.896) 10.324 1.818 ( -3.327 -1.813 3.115) 4.906 1.892 ( -3.991 3.286 0.746) 5.223 2.085 ( 2.655 4.323 -1.144) 5.200 2.110 ( 1.267 1.497 -1.254) 2.328 2.148 ( 1.128 0.544 -0.599) 1.388 2.286 ( -0.024 4.569 3.338) 5.658 2.386 ( -5.270 2.692 -0.030) 5.918 2.435 ( 7.133 6.262 -6.389) 11.442 2.539 ( 3.212 -0.644 -7.116) 7.834 2.699 ( -1.896 0.076 -1.165) 2.227 2.803 ( -1.445 -2.505 -1.123) 3.102 2.863 ( -0.959 0.426 -1.572) 1.890 2.932 ( 0.351 -0.714 1.238) 1.472 3.087 ( -0.770 -0.184 5.465) 5.523 3.207 ( 0.945 -4.850 1.203) 5.086 3.222 ( -14.243 0.684 3.469) 14.675 3.456 ( -11.673 -2.826 -0.089) 12.010 3.737 ( 1.229 6.947 1.036) 7.131 3.807 ( 0.431 2.078 -0.295) 2.143 3.877 ( 1.226 2.209 0.191) 2.534 4.027 ( -2.154 -2.966 2.686) 4.544 4.144 ( 3.294 -1.287 0.914) 3.653 4.323 ( 4.896 -1.611 3.102) 6.016 4.361 ( 1.125 -6.730 0.953) 6.890 4.463 ( -0.930 -1.745 -1.012) 2.221 4.542 ( 0.790 -0.728 0.450) 1.165 4.650 ( -0.232 0.099 -3.143) 3.154 4.711 ( 2.007 0.258 2.444) 3.173 4.828 ( 3.846 0.565 0.919) 3.995 4.933 ( 3.230 -0.837 2.291) 4.048 4.949 ( 4.215 -1.748 0.710) 4.618 5.002 ( 3.373 -1.951 1.570) 4.201 5.082 ( 3.569 -2.445 1.040) 4.449 5.110 ( 2.274 6.931 -0.006) 7.295 5.123 ( 4.781 0.945 0.169) 4.876 5.233 ( 2.084 -1.954 -0.296) 2.872 5.310 ( -2.231 1.229 -1.540) 2.976 5.406 ( -1.334 0.154 1.068) 1.715 5.491 ( -5.342 5.411 -0.939) 7.662 5.724 ( 2.531 -5.086 1.209) 5.808 5.759 ( -1.370 -2.224 0.391) 2.642 5.771 ( -1.561 -0.327 0.219) 1.610 5.852 ( -2.410 -0.033 -2.685) 3.608 6.024 ( -0.765 -3.437 -0.068) 3.522 6.155 ( -2.020 -2.051 -0.911) 3.019 6.249 ( -0.883 0.082 1.229) 1.516 6.320 ( 0.286 0.658 -1.553) 1.710 6.588 ( -4.827 6.214 1.183) 7.957 6.661 ( -5.465 6.999 -6.206) 10.833 6.744 ( 3.702 5.326 -6.072) 8.885 7.171 ( 3.536 -1.172 2.684) 4.591 7.501 ( 3.559 -2.178 2.758) 5.002 7.624 ( 2.975 -6.186 5.994) 9.113 ======================= Grid point 117 (62/66) ======================= q-point: ( 0.43 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( -4.378 2.995 -2.099) 5.705 1.098 ( 2.938 0.961 -7.397) 8.016 1.249 ( 9.751 -2.561 -4.674) 11.112 1.440 ( -2.490 0.652 2.596) 3.656 1.490 ( 2.352 -0.707 2.329) 3.385 1.568 ( -3.339 -2.553 2.054) 4.678 1.633 ( 0.501 -4.684 1.983) 5.112 1.735 ( -4.435 -6.492 -4.947) 9.289 1.790 ( -5.310 8.269 2.211) 10.073 2.129 ( 1.536 1.054 -1.164) 2.197 2.147 ( -0.321 2.518 4.343) 5.031 2.188 ( 2.611 2.531 -0.748) 3.713 2.254 ( -3.226 -1.612 3.095) 4.752 2.397 ( 2.994 3.560 2.228) 5.157 2.495 ( 3.133 5.769 -6.818) 9.464 2.587 ( 8.114 2.776 -7.687) 11.517 2.659 ( -3.002 0.958 1.533) 3.504 2.779 ( 1.226 -1.372 -2.524) 3.123 2.818 ( -2.993 0.502 0.103) 3.037 2.950 ( 0.725 -1.596 0.095) 1.756 3.006 ( -9.675 0.994 3.673) 10.396 3.074 ( -3.839 -1.607 3.289) 5.304 3.228 ( 0.452 -4.540 2.066) 5.009 3.288 ( -4.310 -0.261 -2.183) 4.838 3.761 ( 0.665 6.115 0.286) 6.158 3.818 ( 0.375 5.824 0.375) 5.848 3.912 ( 2.335 -2.200 -0.929) 3.340 4.002 ( -2.252 -4.767 2.039) 5.653 4.224 ( 3.990 -2.269 0.965) 4.690 4.332 ( -3.123 -5.006 -0.699) 5.941 4.402 ( 1.453 0.393 0.576) 1.611 4.447 ( 0.154 -1.731 -0.035) 1.738 4.564 ( 0.459 -3.032 0.444) 3.098 4.630 ( 0.045 1.261 -1.443) 1.916 4.786 ( 3.563 0.732 2.462) 4.393 4.889 ( 1.671 0.166 0.751) 1.840 4.926 ( -2.503 -3.099 -1.290) 4.187 5.051 ( 2.240 -4.533 0.379) 5.070 5.069 ( 2.986 -1.126 1.044) 3.358 5.129 ( 1.750 1.319 2.892) 3.629 5.151 ( 0.992 1.890 1.297) 2.498 5.208 ( 3.407 3.212 -1.310) 4.862 5.253 ( 0.649 1.472 -1.701) 2.341 5.265 ( -0.124 4.034 -0.996) 4.157 5.347 ( -5.487 4.595 0.706) 7.191 5.422 ( -1.019 0.092 -0.369) 1.088 5.708 ( -1.060 -5.403 -1.093) 5.614 5.766 ( 0.267 0.332 0.289) 0.515 5.796 ( 1.896 -5.925 0.024) 6.221 5.810 ( -1.185 -0.266 0.233) 1.237 6.005 ( -1.147 -2.112 1.541) 2.855 6.105 ( -1.779 -5.349 -2.004) 5.983 6.256 ( 1.683 3.638 -0.645) 4.060 6.368 ( 3.504 2.826 2.291) 5.051 6.474 ( -7.019 4.570 0.582) 8.396 6.530 ( -2.225 0.793 -5.955) 6.407 6.790 ( 2.093 11.386 -0.733) 11.600 7.225 ( 1.158 0.311 0.638) 1.358 7.580 ( 2.478 -3.569 1.217) 4.512 7.693 ( 0.611 -7.169 2.885) 7.752 ======================= Grid point 121 (63/66) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 0.000 1.108 0.000) 1.108 0.841 ( 0.000 3.592 0.000) 3.592 0.969 ( -0.000 -5.883 0.000) 5.883 0.985 ( 0.000 -12.327 0.000) 12.327 1.629 ( -0.000 1.828 0.000) 1.828 1.677 ( 0.000 -3.412 0.000) 3.412 1.841 ( 0.000 4.560 0.000) 4.560 1.915 ( -0.000 -2.495 0.000) 2.495 2.072 ( 0.000 1.454 -0.000) 1.454 2.075 ( -0.000 2.512 0.000) 2.512 2.264 ( 0.000 3.922 0.000) 3.922 2.299 ( -0.000 2.154 0.000) 2.154 2.411 ( 0.000 3.066 -0.000) 3.066 2.438 ( -0.000 1.652 0.000) 1.652 2.510 ( -0.000 9.305 0.000) 9.305 2.592 ( -0.000 6.072 0.000) 6.072 2.739 ( -0.000 -9.349 0.000) 9.349 2.748 ( 0.000 -7.772 -0.000) 7.772 2.876 ( 0.000 5.494 -0.000) 5.494 2.884 ( -0.000 2.563 0.000) 2.563 2.934 ( -0.000 -3.531 0.000) 3.531 3.028 ( 0.000 -9.427 0.000) 9.427 3.597 ( -0.000 5.879 0.000) 5.879 3.697 ( -0.000 -2.357 0.000) 2.357 3.818 ( 0.000 2.656 0.000) 2.656 3.849 ( -0.000 2.604 0.000) 2.604 3.915 ( -0.000 2.108 0.000) 2.108 4.016 ( -0.000 -7.081 0.000) 7.081 4.106 ( -0.000 0.922 0.000) 0.922 4.119 ( 0.000 0.238 0.000) 0.238 4.190 ( -0.000 0.273 0.000) 0.273 4.268 ( 0.000 -6.472 0.000) 6.472 4.632 ( 0.000 1.366 0.000) 1.366 4.668 ( -0.000 0.904 0.000) 0.904 4.704 ( -0.000 0.401 0.000) 0.401 4.761 ( 0.000 -2.678 0.000) 2.678 4.762 ( -0.000 1.367 0.000) 1.367 4.822 ( 0.000 -4.092 0.000) 4.092 4.878 ( 0.000 3.534 0.000) 3.534 4.916 ( 0.000 0.534 0.000) 0.534 4.970 ( -0.000 -1.583 0.000) 1.583 4.994 ( 0.000 -3.893 0.000) 3.893 5.214 ( -0.000 6.920 0.000) 6.920 5.325 ( 0.000 -4.347 0.000) 4.347 5.464 ( 0.000 3.516 0.000) 3.516 5.544 ( 0.000 -3.991 0.000) 3.991 5.763 ( 0.000 0.866 0.000) 0.866 5.764 ( -0.000 1.492 0.000) 1.492 5.863 ( -0.000 0.453 0.000) 0.453 5.879 ( -0.000 -1.883 0.000) 1.883 6.104 ( 0.000 2.006 0.000) 2.006 6.146 ( -0.000 -1.849 0.000) 1.849 6.389 ( 0.000 2.490 -0.000) 2.490 6.389 ( -0.000 0.692 0.000) 0.692 6.612 ( 0.000 1.567 0.000) 1.567 6.672 ( 0.000 -3.383 0.000) 3.383 6.995 ( -0.000 1.777 0.000) 1.777 6.997 ( 0.000 1.556 -0.000) 1.556 7.418 ( -0.000 0.957 0.000) 0.957 7.452 ( 0.000 -2.461 0.000) 2.461 ======================= Grid point 123 (64/66) ======================= q-point: ( 0.14 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( 7.892 -0.998 -2.926) 8.476 0.924 ( 4.061 -6.347 -1.011) 7.603 0.983 ( 10.639 6.085 -3.780) 12.826 1.148 ( 10.891 -10.530 -0.979) 15.181 1.601 ( -2.994 1.571 -1.072) 3.547 1.638 ( -3.829 -2.063 -2.777) 5.160 1.823 ( -3.400 2.571 5.051) 6.609 1.862 ( -7.157 -1.127 5.999) 9.407 2.018 ( -4.918 3.795 3.110) 6.947 2.079 ( -2.671 -2.808 0.422) 3.899 2.218 ( 1.888 5.649 -9.017) 10.807 2.250 ( -1.854 1.990 -6.263) 6.828 2.401 ( -2.394 2.940 1.809) 4.201 2.446 ( 2.013 -1.638 -4.740) 5.404 2.530 ( 2.598 9.498 -2.108) 10.071 2.583 ( -0.454 7.713 -1.013) 7.792 2.709 ( -2.516 -5.638 1.135) 6.278 2.745 ( 1.566 -6.920 -4.043) 8.166 2.880 ( -0.788 2.844 2.554) 3.902 2.920 ( 0.589 -0.393 -0.217) 0.741 2.970 ( 3.094 -1.502 5.465) 6.457 3.044 ( -0.396 -7.911 6.206) 10.063 3.498 ( -8.911 4.928 -1.250) 10.259 3.595 ( -9.452 -4.411 -1.812) 10.587 3.792 ( 0.541 5.375 1.734) 5.674 3.885 ( -2.582 -0.479 1.821) 3.196 3.960 ( 2.622 4.713 2.731) 6.045 4.020 ( -2.014 -0.320 1.393) 2.470 4.096 ( -0.929 -0.767 -0.668) 1.378 4.117 ( 2.915 -4.405 2.489) 5.839 4.228 ( 4.210 -0.413 -1.096) 4.370 4.303 ( 2.941 -6.986 -0.390) 7.589 4.636 ( -1.806 3.380 -0.251) 3.840 4.664 ( 1.467 0.433 1.595) 2.209 4.670 ( -0.818 0.815 0.675) 1.337 4.749 ( 1.241 -3.929 2.244) 4.692 4.850 ( 4.128 0.867 -0.553) 4.254 4.887 ( 3.387 -3.006 0.034) 4.529 4.892 ( 1.484 2.977 1.153) 3.520 4.961 ( 1.916 -3.041 1.715) 3.983 5.011 ( 7.210 2.159 -0.229) 7.530 5.072 ( 7.291 -3.659 -0.038) 8.157 5.227 ( 1.756 6.746 -1.009) 7.044 5.330 ( 0.982 -3.563 -1.178) 3.880 5.455 ( -1.565 4.071 1.448) 4.595 5.549 ( 0.049 -4.753 1.090) 4.876 5.713 ( -4.220 2.469 -0.511) 4.916 5.758 ( -2.214 -1.834 -0.301) 2.891 5.820 ( -2.436 2.123 0.562) 3.280 5.876 ( -1.648 -2.989 0.390) 3.435 6.065 ( -1.752 3.511 -2.994) 4.936 6.145 ( -1.411 -4.172 -1.510) 4.656 6.301 ( -4.311 2.847 2.280) 5.647 6.347 ( -3.703 -1.566 -0.607) 4.066 6.701 ( 7.472 5.521 -1.777) 9.459 6.772 ( 7.670 -0.771 -7.796) 10.964 6.928 ( -5.257 4.424 -1.137) 6.965 7.001 ( -0.280 -3.308 6.282) 7.105 7.427 ( 0.706 0.498 1.096) 1.396 7.463 ( 0.646 -3.170 1.610) 3.614 ======================= Grid point 124 (65/66) ======================= q-point: ( 0.29 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 11.351 -1.265 -3.525) 11.953 1.036 ( 7.992 -2.262 -2.261) 8.608 1.138 ( 8.134 5.970 -7.914) 12.823 1.295 ( 5.640 -9.535 -5.535) 12.384 1.511 ( -2.770 2.119 -2.457) 4.266 1.541 ( -2.436 -1.116 -1.623) 3.133 1.737 ( -10.868 0.896 5.396) 12.166 1.769 ( -7.479 -2.390 3.884) 8.760 1.974 ( -2.775 3.956 4.973) 6.934 2.036 ( -2.034 -2.839 4.608) 5.782 2.177 ( -2.092 2.795 -2.130) 4.090 2.220 ( 0.720 0.431 -1.864) 2.044 2.353 ( -1.382 4.726 -0.468) 4.946 2.439 ( 0.615 -1.867 -1.743) 2.627 2.559 ( 2.642 6.362 -3.276) 7.628 2.586 ( 4.545 5.875 -9.579) 12.122 2.692 ( 0.639 -0.264 0.241) 0.732 2.749 ( 2.177 -3.837 -4.619) 6.387 2.875 ( -1.446 1.544 1.796) 2.775 2.924 ( -0.070 -1.197 0.517) 1.306 3.053 ( -0.324 -2.367 5.947) 6.409 3.075 ( -2.626 -5.330 5.720) 8.248 3.294 ( -10.619 4.896 -0.352) 11.699 3.387 ( -10.213 -4.310 -1.857) 11.240 3.812 ( 0.779 2.173 0.864) 2.465 3.869 ( -1.248 -0.049 3.375) 3.599 3.977 ( -1.717 4.400 0.272) 4.731 3.994 ( -0.590 6.123 1.995) 6.467 4.094 ( 1.031 -3.750 -0.138) 3.892 4.186 ( 0.531 -10.097 1.680) 10.250 4.314 ( 5.330 0.832 0.598) 5.427 4.370 ( 4.293 -4.884 -0.457) 6.519 4.603 ( -1.553 4.090 -1.065) 4.503 4.648 ( -0.037 -0.553 -1.386) 1.493 4.746 ( 2.786 3.059 4.353) 6.006 4.811 ( 2.830 -3.058 3.410) 5.384 4.907 ( 2.656 -1.122 0.848) 3.005 4.919 ( 0.637 -1.658 -1.110) 2.094 4.959 ( 3.993 0.580 1.724) 4.388 5.012 ( 2.297 -3.864 3.026) 5.419 5.166 ( 7.858 2.544 -0.872) 8.306 5.204 ( 6.118 -1.361 -1.013) 6.349 5.260 ( 2.840 6.593 -1.636) 7.363 5.342 ( 1.672 -0.985 -2.615) 3.256 5.429 ( -2.853 4.516 2.763) 6.014 5.544 ( -2.496 -3.376 0.555) 4.235 5.621 ( -3.743 -0.688 -0.132) 3.808 5.680 ( -4.976 -4.302 0.010) 6.578 5.802 ( -0.589 2.016 0.617) 2.189 5.838 ( -1.868 -1.506 -0.368) 2.427 6.014 ( -1.814 1.999 -0.997) 2.878 6.078 ( -3.020 -4.219 -1.996) 5.559 6.287 ( 0.605 2.458 1.090) 2.756 6.322 ( 1.078 -0.931 0.944) 1.708 6.685 ( -4.602 3.771 -7.146) 9.299 6.723 ( -5.620 0.151 -9.158) 10.746 6.937 ( 5.266 11.505 4.261) 13.351 7.113 ( 5.379 -5.761 4.844) 9.251 7.463 ( 1.907 -0.898 1.719) 2.720 7.500 ( 1.507 -5.051 2.711) 5.927 ======================= Grid point 125 (66/66) ======================= q-point: ( 0.43 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( -0.640 3.194 -2.439) 4.069 1.122 ( -0.450 -0.226 -4.305) 4.334 1.237 ( 11.065 3.326 -4.775) 12.502 1.370 ( 7.058 -8.212 -1.570) 10.941 1.502 ( -0.781 2.353 0.986) 2.668 1.525 ( -2.208 0.197 1.120) 2.484 1.590 ( -3.211 -1.284 -0.071) 3.459 1.619 ( -8.668 -4.762 0.129) 9.891 1.949 ( -2.858 6.708 2.741) 7.789 2.047 ( -0.813 -4.368 3.131) 5.436 2.153 ( -0.716 1.115 1.132) 1.742 2.195 ( -1.784 -2.821 1.676) 3.735 2.397 ( 3.986 8.156 0.143) 9.079 2.460 ( -0.134 1.540 4.976) 5.210 2.578 ( 2.835 2.797 -7.211) 8.238 2.604 ( 4.718 -0.457 -6.999) 8.453 2.724 ( 2.866 4.507 -3.650) 6.470 2.765 ( 2.995 0.097 -2.309) 3.783 2.830 ( -5.194 1.010 2.053) 5.675 2.911 ( -3.498 -5.109 1.699) 6.421 2.988 ( -5.325 -0.199 1.915) 5.662 3.027 ( -3.736 -2.654 2.609) 5.273 3.197 ( -1.260 2.426 0.929) 2.887 3.263 ( -2.096 -2.843 -0.484) 3.565 3.840 ( 1.846 -0.655 -0.396) 1.998 3.870 ( -1.119 -1.385 2.255) 2.873 3.947 ( -1.370 6.254 0.327) 6.410 3.998 ( -0.084 8.335 0.513) 8.351 4.126 ( 1.855 -7.807 0.796) 8.064 4.173 ( -1.513 -8.921 -0.686) 9.075 4.402 ( 2.867 -0.038 0.848) 2.990 4.427 ( 1.513 -1.990 0.025) 2.500 4.568 ( -1.101 4.003 -0.860) 4.240 4.639 ( 0.005 -1.727 -0.885) 1.941 4.820 ( 2.323 2.851 3.316) 4.952 4.874 ( 0.744 -2.047 0.532) 2.242 4.892 ( -1.073 1.253 -1.175) 2.025 4.965 ( 1.689 -4.614 1.112) 5.038 5.040 ( 2.813 -0.734 1.342) 3.202 5.066 ( 0.923 -3.324 1.438) 3.738 5.254 ( 2.090 3.275 0.343) 3.900 5.275 ( 2.275 1.090 -0.560) 2.585 5.303 ( 2.503 4.745 -1.810) 5.662 5.357 ( 2.872 1.064 -4.139) 5.149 5.396 ( -2.922 5.108 3.797) 7.003 5.462 ( -4.371 3.383 -0.058) 5.528 5.590 ( -0.367 -6.270 -2.352) 6.707 5.617 ( -2.000 -8.587 2.449) 9.151 5.796 ( -0.322 1.248 0.243) 1.312 5.811 ( -0.681 -0.229 -0.354) 0.801 5.996 ( -0.212 0.493 1.152) 1.271 6.025 ( -1.367 -2.626 -1.656) 3.392 6.335 ( 3.146 3.678 1.115) 4.966 6.384 ( 3.719 -1.125 2.573) 4.660 6.534 ( -6.035 1.915 -2.852) 6.945 6.549 ( -5.492 0.497 -6.473) 8.503 7.041 ( 2.713 12.778 1.365) 13.133 7.210 ( 2.199 -3.449 1.408) 4.326 7.508 ( 1.450 -2.651 0.782) 3.121 7.539 ( 0.546 -6.564 1.572) 6.772 =================== 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 3/12600 10.0 142.352 82.375 118.765 0.000 -19.466 0.000 3/12600 20.0 39.276 21.245 30.884 0.000 -7.565 0.000 3/12600 30.0 18.705 10.205 14.477 0.000 -3.864 0.000 3/12600 40.0 11.176 6.146 8.581 0.000 -2.350 0.000 3/12600 50.0 7.605 4.213 5.808 0.000 -1.603 0.000 3/12600 60.0 5.646 3.153 4.298 0.000 -1.185 0.000 3/12600 70.0 4.454 2.507 3.385 0.000 -0.929 0.000 3/12600 80.0 3.669 2.081 2.786 0.000 -0.760 0.000 3/12600 90.0 3.119 1.781 2.368 0.000 -0.642 0.000 3/12600 100.0 2.714 1.559 2.062 0.000 -0.555 0.000 3/12600 110.0 2.404 1.389 1.828 0.000 -0.489 0.000 3/12600 120.0 2.160 1.253 1.643 0.000 -0.438 0.000 3/12600 130.0 1.962 1.143 1.494 0.000 -0.396 0.000 3/12600 140.0 1.799 1.052 1.371 0.000 -0.362 0.000 3/12600 150.0 1.662 0.974 1.267 0.000 -0.333 0.000 3/12600 160.0 1.545 0.908 1.179 0.000 -0.309 0.000 3/12600 170.0 1.443 0.851 1.102 0.000 -0.288 0.000 3/12600 180.0 1.355 0.800 1.035 0.000 -0.270 0.000 3/12600 190.0 1.277 0.755 0.976 0.000 -0.254 0.000 3/12600 200.0 1.208 0.716 0.924 0.000 -0.240 0.000 3/12600 210.0 1.146 0.680 0.877 0.000 -0.227 0.000 3/12600 220.0 1.091 0.648 0.835 0.000 -0.216 0.000 3/12600 230.0 1.041 0.619 0.797 0.000 -0.206 0.000 3/12600 240.0 0.995 0.592 0.762 0.000 -0.196 0.000 3/12600 250.0 0.953 0.568 0.730 0.000 -0.188 0.000 3/12600 260.0 0.914 0.545 0.701 0.000 -0.180 0.000 3/12600 270.0 0.879 0.524 0.674 0.000 -0.173 0.000 3/12600 280.0 0.846 0.505 0.649 0.000 -0.166 0.000 3/12600 290.0 0.816 0.487 0.626 0.000 -0.160 0.000 3/12600 300.0 0.788 0.471 0.604 0.000 -0.155 0.000 3/12600 310.0 0.762 0.455 0.584 0.000 -0.150 0.000 3/12600 320.0 0.737 0.441 0.565 0.000 -0.145 0.000 3/12600 330.0 0.714 0.427 0.548 0.000 -0.140 0.000 3/12600 340.0 0.693 0.415 0.531 0.000 -0.136 0.000 3/12600 350.0 0.672 0.403 0.516 0.000 -0.132 0.000 3/12600 360.0 0.653 0.391 0.501 0.000 -0.128 0.000 3/12600 370.0 0.635 0.381 0.488 0.000 -0.124 0.000 3/12600 380.0 0.618 0.371 0.474 0.000 -0.121 0.000 3/12600 390.0 0.602 0.361 0.462 0.000 -0.118 0.000 3/12600 400.0 0.587 0.352 0.450 0.000 -0.115 0.000 3/12600 410.0 0.572 0.343 0.439 0.000 -0.112 0.000 3/12600 420.0 0.558 0.335 0.429 0.000 -0.109 0.000 3/12600 430.0 0.545 0.327 0.419 0.000 -0.107 0.000 3/12600 440.0 0.532 0.320 0.409 0.000 -0.104 0.000 3/12600 450.0 0.520 0.312 0.400 0.000 -0.102 0.000 3/12600 460.0 0.509 0.306 0.391 0.000 -0.100 0.000 3/12600 470.0 0.498 0.299 0.383 0.000 -0.097 0.000 3/12600 480.0 0.487 0.293 0.374 0.000 -0.095 0.000 3/12600 490.0 0.477 0.287 0.367 0.000 -0.093 0.000 3/12600 500.0 0.468 0.281 0.359 0.000 -0.091 0.000 3/12600 510.0 0.458 0.276 0.352 0.000 -0.090 0.000 3/12600 520.0 0.450 0.270 0.345 0.000 -0.088 0.000 3/12600 530.0 0.441 0.265 0.339 0.000 -0.086 0.000 3/12600 540.0 0.433 0.260 0.333 0.000 -0.085 0.000 3/12600 550.0 0.425 0.255 0.326 0.000 -0.083 0.000 3/12600 560.0 0.417 0.251 0.321 0.000 -0.081 0.000 3/12600 570.0 0.410 0.246 0.315 0.000 -0.080 0.000 3/12600 580.0 0.403 0.242 0.309 0.000 -0.079 0.000 3/12600 590.0 0.396 0.238 0.304 0.000 -0.077 0.000 3/12600 600.0 0.389 0.234 0.299 0.000 -0.076 0.000 3/12600 610.0 0.383 0.230 0.294 0.000 -0.075 0.000 3/12600 620.0 0.376 0.227 0.289 0.000 -0.073 0.000 3/12600 630.0 0.370 0.223 0.285 0.000 -0.072 0.000 3/12600 640.0 0.365 0.219 0.280 0.000 -0.071 0.000 3/12600 650.0 0.359 0.216 0.276 0.000 -0.070 0.000 3/12600 660.0 0.354 0.213 0.272 0.000 -0.069 0.000 3/12600 670.0 0.348 0.210 0.268 0.000 -0.068 0.000 3/12600 680.0 0.343 0.207 0.264 0.000 -0.067 0.000 3/12600 690.0 0.338 0.204 0.260 0.000 -0.066 0.000 3/12600 700.0 0.333 0.201 0.256 0.000 -0.065 0.000 3/12600 710.0 0.329 0.198 0.253 0.000 -0.064 0.000 3/12600 720.0 0.324 0.195 0.249 0.000 -0.063 0.000 3/12600 730.0 0.319 0.192 0.246 0.000 -0.062 0.000 3/12600 740.0 0.315 0.190 0.242 0.000 -0.061 0.000 3/12600 750.0 0.311 0.187 0.239 0.000 -0.061 0.000 3/12600 760.0 0.307 0.185 0.236 0.000 -0.060 0.000 3/12600 770.0 0.303 0.182 0.233 0.000 -0.059 0.000 3/12600 780.0 0.299 0.180 0.230 0.000 -0.058 0.000 3/12600 790.0 0.295 0.178 0.227 0.000 -0.058 0.000 3/12600 800.0 0.291 0.176 0.224 0.000 -0.057 0.000 3/12600 810.0 0.288 0.173 0.221 0.000 -0.056 0.000 3/12600 820.0 0.284 0.171 0.219 0.000 -0.055 0.000 3/12600 830.0 0.281 0.169 0.216 0.000 -0.055 0.000 3/12600 840.0 0.277 0.167 0.213 0.000 -0.054 0.000 3/12600 850.0 0.274 0.165 0.211 0.000 -0.053 0.000 3/12600 860.0 0.271 0.163 0.208 0.000 -0.053 0.000 3/12600 870.0 0.268 0.161 0.206 0.000 -0.052 0.000 3/12600 880.0 0.265 0.160 0.204 0.000 -0.052 0.000 3/12600 890.0 0.262 0.158 0.201 0.000 -0.051 0.000 3/12600 900.0 0.259 0.156 0.199 0.000 -0.050 0.000 3/12600 910.0 0.256 0.154 0.197 0.000 -0.050 0.000 3/12600 920.0 0.253 0.153 0.195 0.000 -0.049 0.000 3/12600 930.0 0.251 0.151 0.193 0.000 -0.049 0.000 3/12600 940.0 0.248 0.149 0.191 0.000 -0.048 0.000 3/12600 950.0 0.245 0.148 0.189 0.000 -0.048 0.000 3/12600 960.0 0.243 0.146 0.187 0.000 -0.047 0.000 3/12600 970.0 0.240 0.145 0.185 0.000 -0.047 0.000 3/12600 980.0 0.238 0.143 0.183 0.000 -0.046 0.000 3/12600 990.0 0.235 0.142 0.181 0.000 -0.046 0.000 3/12600 1000.0 0.233 0.140 0.179 0.000 -0.045 0.000 3/12600 Thermal conductivity related properties were written into "kappa-m756.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 01:11:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|