----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:55:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3c (167) Number of symmetry operations in supercell: 36 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.632277543790345 2.674446686868409 3.717898449999996 b -4.632277543790337 2.674446686868409 3.717898449999996 c -0.000000000000005 -5.348893373736826 3.717898449999996 Atomic positions (fractional): *1 O 0.42838824527627 0.55423926763651 0.20182501370096 15.999 2 O 0.55423926763651 0.20182501370096 0.42838824527627 15.999 3 O 0.20182501370096 0.42838824527628 0.55423926763651 15.999 4 O 0.07161175472373 0.29817498629904 0.94576073236349 15.999 5 O 0.29817498629904 0.94576073236349 0.07161175472373 15.999 6 O 0.94576073236349 0.07161175472373 0.29817498629904 15.999 7 O 0.57161175472373 0.44576073236349 0.79817498629904 15.999 8 O 0.44576073236349 0.79817498629904 0.57161175472373 15.999 9 O 0.79817498629904 0.57161175472373 0.44576073236349 15.999 10 O 0.92838824527627 0.70182501370096 0.05423926763651 15.999 11 O 0.05423926763651 0.92838824527628 0.70182501370096 15.999 12 O 0.70182501370096 0.05423926763651 0.92838824527627 15.999 *13 Ca 0.75000000000000 0.38665180797707 0.11334819202293 40.078 14 Ca 0.38665180797707 0.11334819202293 0.75000000000000 40.078 15 Ca 0.11334819202293 0.75000000000000 0.38665180797707 40.078 16 Ca 0.25000000000000 0.61334819202293 0.88665180797707 40.078 17 Ca 0.61334819202293 0.88665180797707 0.25000000000000 40.078 18 Ca 0.88665180797707 0.25000000000000 0.61334819202293 40.078 *19 Ca 0.25000000000000 0.25000000000000 0.25000000000000 40.078 20 Ca 0.75000000000000 0.75000000000000 0.75000000000000 40.078 *21 Pt 0.50000000000000 0.50000000000000 0.50000000000000 195.084 22 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.264555087580682 0.000000000000000 0.000000000000000 b -4.632277543790341 8.023340060605236 0.000000000000000 c 0.000000000000000 0.000000000000000 11.153695350000000 Atomic positions (fractional): *1 O 0.03357073640503 0.19299249517029 0.39481750887125 15.999 > 1 2 O 0.15942175876526 0.96642926359497 0.39481750887125 15.999 > 2 3 O 0.80700750482971 0.84057824123474 0.39481750887125 15.999 > 3 4 O 0.63309593026164 0.49275509209860 0.43851582446209 15.999 > 4 5 O 0.85965916183696 0.36690406973836 0.43851582446209 15.999 > 5 6 O 0.50724490790140 0.14034083816304 0.43851582446209 15.999 > 6 7 O 0.96642926359497 0.80700750482971 0.60518249112875 15.999 > 7 8 O 0.84057824123474 0.03357073640503 0.60518249112875 15.999 > 8 9 O 0.19299249517029 0.15942175876526 0.60518249112875 15.999 > 9 10 O 0.36690406973836 0.50724490790140 0.56148417553791 15.999 > 10 11 O 0.49275509209860 0.85965916183696 0.56148417553791 15.999 > 11 12 O 0.14034083816304 0.63309593026164 0.56148417553791 15.999 > 12 13 O 0.70023740307169 0.52632582850362 0.72815084220458 15.999 > 1 14 O 0.82608842543193 0.29976259692831 0.72815084220458 15.999 > 2 15 O 0.47367417149638 0.17391157456807 0.72815084220458 15.999 > 3 16 O 0.29976259692831 0.82608842543193 0.77184915779542 15.999 > 4 17 O 0.52632582850362 0.70023740307169 0.77184915779542 15.999 > 5 18 O 0.17391157456807 0.47367417149638 0.77184915779542 15.999 > 6 19 O 0.63309593026164 0.14034083816304 0.93851582446209 15.999 > 7 20 O 0.50724490790140 0.36690406973836 0.93851582446209 15.999 > 8 21 O 0.85965916183696 0.49275509209860 0.93851582446209 15.999 > 9 22 O 0.03357073640503 0.84057824123474 0.89481750887125 15.999 > 10 23 O 0.15942175876526 0.19299249517029 0.89481750887125 15.999 > 11 24 O 0.80700750482971 0.96642926359497 0.89481750887125 15.999 > 12 25 O 0.36690406973836 0.85965916183696 0.06148417553791 15.999 > 1 26 O 0.49275509209860 0.63309593026164 0.06148417553791 15.999 > 2 27 O 0.14034083816304 0.50724490790140 0.06148417553791 15.999 > 3 28 O 0.96642926359497 0.15942175876526 0.10518249112875 15.999 > 4 29 O 0.19299249517029 0.03357073640503 0.10518249112875 15.999 > 5 30 O 0.84057824123474 0.80700750482971 0.10518249112875 15.999 > 6 31 O 0.29976259692831 0.47367417149638 0.27184915779542 15.999 > 7 32 O 0.17391157456807 0.70023740307169 0.27184915779542 15.999 > 8 33 O 0.52632582850362 0.82608842543193 0.27184915779542 15.999 > 9 34 O 0.70023740307169 0.17391157456807 0.22815084220458 15.999 > 10 35 O 0.82608842543193 0.52632582850362 0.22815084220458 15.999 > 11 36 O 0.47367417149638 0.29976259692831 0.22815084220458 15.999 > 12 *37 Ca 0.33333333333333 0.30331847464374 0.41666666666667 40.078 > 13 38 Ca 0.96998514131040 0.66666666666667 0.41666666666667 40.078 > 14 39 Ca 0.69668152535626 0.03001485868960 0.41666666666667 40.078 > 15 40 Ca 0.66666666666667 0.69668152535626 0.58333333333333 40.078 > 16 41 Ca 0.03001485868960 0.33333333333333 0.58333333333333 40.078 > 17 42 Ca 0.30331847464374 0.96998514131040 0.58333333333333 40.078 > 18 *43 Ca 0.00000000000000 0.00000000000000 0.25000000000000 40.078 > 19 44 Ca 0.00000000000000 0.00000000000000 0.75000000000000 40.078 > 20 45 Ca 0.00000000000000 0.63665180797707 0.75000000000000 40.078 > 13 46 Ca 0.63665180797707 0.00000000000000 0.75000000000000 40.078 > 14 47 Ca 0.36334819202293 0.36334819202293 0.75000000000000 40.078 > 15 48 Ca 0.33333333333333 0.03001485868960 0.91666666666667 40.078 > 16 49 Ca 0.69668152535626 0.66666666666667 0.91666666666667 40.078 > 17 50 Ca 0.96998514131040 0.30331847464374 0.91666666666667 40.078 > 18 51 Ca 0.66666666666667 0.33333333333333 0.58333333333333 40.078 > 19 52 Ca 0.66666666666667 0.33333333333333 0.08333333333333 40.078 > 20 53 Ca 0.66666666666667 0.96998514131040 0.08333333333333 40.078 > 13 54 Ca 0.30331847464374 0.33333333333333 0.08333333333333 40.078 > 14 55 Ca 0.03001485868960 0.69668152535626 0.08333333333333 40.078 > 15 56 Ca 0.00000000000000 0.36334819202293 0.25000000000000 40.078 > 16 57 Ca 0.36334819202293 0.00000000000000 0.25000000000000 40.078 > 17 58 Ca 0.63665180797707 0.63665180797707 0.25000000000000 40.078 > 18 59 Ca 0.33333333333333 0.66666666666667 0.91666666666667 40.078 > 19 60 Ca 0.33333333333333 0.66666666666667 0.41666666666667 40.078 > 20 *61 Pt 0.00000000000000 0.00000000000000 0.50000000000000 195.084 > 21 62 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 22 63 Pt 0.66666666666667 0.33333333333333 0.83333333333333 195.084 > 21 64 Pt 0.66666666666667 0.33333333333333 0.33333333333333 195.084 > 22 65 Pt 0.33333333333333 0.66666666666667 0.16666666666667 195.084 > 21 66 Pt 0.33333333333333 0.66666666666667 0.66666666666667 195.084 > 22 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.264555087580682 0.000000000000000 0.000000000000000 b -4.632277543790341 8.023340060605236 0.000000000000000 c 0.000000000000000 0.000000000000000 11.153695350000000 Atomic positions (fractional): *1 O 0.03357073640503 0.19299249517029 0.39481750887125 15.999 > 1 2 O 0.15942175876526 0.96642926359497 0.39481750887125 15.999 > 2 3 O 0.80700750482971 0.84057824123474 0.39481750887125 15.999 > 3 4 O 0.63309593026164 0.49275509209860 0.43851582446209 15.999 > 4 5 O 0.85965916183696 0.36690406973836 0.43851582446209 15.999 > 5 6 O 0.50724490790140 0.14034083816304 0.43851582446209 15.999 > 6 7 O 0.96642926359497 0.80700750482971 0.60518249112875 15.999 > 7 8 O 0.84057824123474 0.03357073640503 0.60518249112875 15.999 > 8 9 O 0.19299249517029 0.15942175876526 0.60518249112875 15.999 > 9 10 O 0.36690406973836 0.50724490790140 0.56148417553791 15.999 > 10 11 O 0.49275509209860 0.85965916183696 0.56148417553791 15.999 > 11 12 O 0.14034083816304 0.63309593026164 0.56148417553791 15.999 > 12 13 O 0.70023740307169 0.52632582850362 0.72815084220458 15.999 > 1 14 O 0.82608842543193 0.29976259692831 0.72815084220458 15.999 > 2 15 O 0.47367417149638 0.17391157456807 0.72815084220458 15.999 > 3 16 O 0.29976259692831 0.82608842543193 0.77184915779542 15.999 > 4 17 O 0.52632582850362 0.70023740307169 0.77184915779542 15.999 > 5 18 O 0.17391157456807 0.47367417149638 0.77184915779542 15.999 > 6 19 O 0.63309593026164 0.14034083816304 0.93851582446209 15.999 > 7 20 O 0.50724490790140 0.36690406973836 0.93851582446209 15.999 > 8 21 O 0.85965916183696 0.49275509209860 0.93851582446209 15.999 > 9 22 O 0.03357073640503 0.84057824123474 0.89481750887125 15.999 > 10 23 O 0.15942175876526 0.19299249517029 0.89481750887125 15.999 > 11 24 O 0.80700750482971 0.96642926359497 0.89481750887125 15.999 > 12 25 O 0.36690406973836 0.85965916183696 0.06148417553791 15.999 > 1 26 O 0.49275509209860 0.63309593026164 0.06148417553791 15.999 > 2 27 O 0.14034083816304 0.50724490790140 0.06148417553791 15.999 > 3 28 O 0.96642926359497 0.15942175876526 0.10518249112875 15.999 > 4 29 O 0.19299249517029 0.03357073640503 0.10518249112875 15.999 > 5 30 O 0.84057824123474 0.80700750482971 0.10518249112875 15.999 > 6 31 O 0.29976259692831 0.47367417149638 0.27184915779542 15.999 > 7 32 O 0.17391157456807 0.70023740307169 0.27184915779542 15.999 > 8 33 O 0.52632582850362 0.82608842543193 0.27184915779542 15.999 > 9 34 O 0.70023740307169 0.17391157456807 0.22815084220458 15.999 > 10 35 O 0.82608842543193 0.52632582850362 0.22815084220458 15.999 > 11 36 O 0.47367417149638 0.29976259692831 0.22815084220458 15.999 > 12 *37 Ca 0.33333333333333 0.30331847464374 0.41666666666667 40.078 > 13 38 Ca 0.96998514131040 0.66666666666667 0.41666666666667 40.078 > 14 39 Ca 0.69668152535626 0.03001485868960 0.41666666666667 40.078 > 15 40 Ca 0.66666666666667 0.69668152535626 0.58333333333333 40.078 > 16 41 Ca 0.03001485868960 0.33333333333333 0.58333333333333 40.078 > 17 42 Ca 0.30331847464374 0.96998514131040 0.58333333333333 40.078 > 18 *43 Ca 0.00000000000000 0.00000000000000 0.25000000000000 40.078 > 19 44 Ca 0.00000000000000 0.00000000000000 0.75000000000000 40.078 > 20 45 Ca 0.00000000000000 0.63665180797707 0.75000000000000 40.078 > 13 46 Ca 0.63665180797707 0.00000000000000 0.75000000000000 40.078 > 14 47 Ca 0.36334819202293 0.36334819202293 0.75000000000000 40.078 > 15 48 Ca 0.33333333333333 0.03001485868960 0.91666666666667 40.078 > 16 49 Ca 0.69668152535626 0.66666666666667 0.91666666666667 40.078 > 17 50 Ca 0.96998514131040 0.30331847464374 0.91666666666667 40.078 > 18 51 Ca 0.66666666666667 0.33333333333333 0.58333333333333 40.078 > 19 52 Ca 0.66666666666667 0.33333333333333 0.08333333333333 40.078 > 20 53 Ca 0.66666666666667 0.96998514131040 0.08333333333333 40.078 > 13 54 Ca 0.30331847464374 0.33333333333333 0.08333333333333 40.078 > 14 55 Ca 0.03001485868960 0.69668152535626 0.08333333333333 40.078 > 15 56 Ca 0.00000000000000 0.36334819202293 0.25000000000000 40.078 > 16 57 Ca 0.36334819202293 0.00000000000000 0.25000000000000 40.078 > 17 58 Ca 0.63665180797707 0.63665180797707 0.25000000000000 40.078 > 18 59 Ca 0.33333333333333 0.66666666666667 0.91666666666667 40.078 > 19 60 Ca 0.33333333333333 0.66666666666667 0.41666666666667 40.078 > 20 *61 Pt 0.00000000000000 0.00000000000000 0.50000000000000 195.084 > 21 62 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 22 63 Pt 0.66666666666667 0.33333333333333 0.83333333333333 195.084 > 21 64 Pt 0.66666666666667 0.33333333333333 0.33333333333333 195.084 > 22 65 Pt 0.33333333333333 0.66666666666667 0.16666666666667 195.084 > 21 66 Pt 0.33333333333333 0.66666666666667 0.66666666666667 195.084 > 22 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.6520492 -0.0000000 0.0000000 0.0000000 4.6520492 0.0000000 0.0000000 0.0000000 4.9839550 -------------------------- Born effective charges -------------------------- 1 O -1.5935986 0.3727966 -0.2679829 0.3349238 -2.2452228 0.6609338 -0.3269984 0.6218495 -2.1472226 2 O -2.3887687 0.1241678 0.7063769 0.0862950 -1.4500527 -0.0983869 0.7020366 -0.0277358 -2.1472226 3 O -1.7758648 -0.4401553 -0.4383940 -0.4780281 -2.0629566 -0.5625469 -0.3750383 -0.5941137 -2.1472226 4 O -1.7758648 0.4401553 0.4383940 0.4780281 -2.0629566 -0.5625469 0.3750383 -0.5941137 -2.1472226 5 O -2.3887687 -0.1241678 -0.7063769 -0.0862950 -1.4500527 -0.0983869 -0.7020366 -0.0277358 -2.1472226 6 O -1.5935986 -0.3727966 0.2679829 -0.3349238 -2.2452228 0.6609338 0.3269984 0.6218495 -2.1472226 7 O -1.5935986 0.3727966 -0.2679829 0.3349238 -2.2452228 0.6609338 -0.3269984 0.6218495 -2.1472226 8 O -2.3887687 0.1241678 0.7063769 0.0862950 -1.4500527 -0.0983869 0.7020366 -0.0277358 -2.1472226 9 O -1.7758648 -0.4401553 -0.4383940 -0.4780281 -2.0629566 -0.5625469 -0.3750383 -0.5941137 -2.1472226 10 O -1.7758648 0.4401553 0.4383940 0.4780281 -2.0629566 -0.5625469 0.3750383 -0.5941137 -2.1472226 11 O -1.5935986 -0.3727966 0.2679829 -0.3349238 -2.2452228 0.6609338 0.3269984 0.6218495 -2.1472226 12 O -2.3887687 -0.1241678 -0.7063769 -0.0862950 -1.4500527 -0.0983869 -0.7020366 -0.0277358 -2.1472226 13 Ca 2.8203132 0.1365862 -0.3899125 0.1365862 2.6625970 -0.2251161 -0.2757260 -0.1591905 2.4323775 14 Ca 2.5837389 0.0000000 0.0000000 -0.0000000 2.8991713 0.4502321 -0.0000000 0.3183809 2.4323775 15 Ca 2.8203132 -0.1365862 0.3899125 -0.1365862 2.6625970 -0.2251161 0.2757260 -0.1591905 2.4323775 16 Ca 2.8203132 0.1365862 -0.3899125 0.1365862 2.6625970 -0.2251161 -0.2757260 -0.1591905 2.4323775 17 Ca 2.5837389 0.0000000 0.0000000 -0.0000000 2.8991713 0.4502321 -0.0000000 0.3183809 2.4323775 18 Ca 2.8203132 -0.1365862 0.3899125 -0.1365862 2.6625970 -0.2251161 0.2757260 -0.1591905 2.4323775 19 Ca 1.6138646 0.0000000 0.0000000 -0.0000000 1.6138646 -0.0000000 -0.0000000 -0.0000000 3.7989757 20 Ca 1.6138646 0.0000000 0.0000000 -0.0000000 1.6138646 -0.0000000 -0.0000000 -0.0000000 3.7989757 21 Pt 1.6782342 0.1584479 0.0000000 -0.1584479 1.6782342 -0.0000000 -0.0000000 -0.0000000 1.7872272 22 Pt 1.6782342 -0.1584479 0.0000000 0.1584479 1.6782342 -0.0000000 -0.0000000 -0.0000000 1.7872272 ---------------------------------------------------------------------------- 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: 198/198 Permutation basis: 8409/8409 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 592 Number of blocks in projector: 335 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 275 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 234 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 83 Use standard eigh solver. Tree of FC basis block matrices: - (592, 573), data: False |-- (83, 79), data: True |-- (234, 228), data: True |-- (275, 266), data: True ----- Solver_atoms: 1 -- 66 / 66 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 240 - Time: 0.300 Solver_block: 200 / 240 - Time: 0.317 Solver_block: 240 / 240 - Time: 0.143 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.772 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 198/198 Permutation basis: 8409/8409 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 592 Number of blocks in projector: 335 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 275 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 234 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 83 Use standard eigh solver. Tree of FC basis block matrices: - (592, 573), data: False |-- (83, 79), data: True |-- (234, 228), data: True |-- (275, 266), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:55:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:55:56]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3c (167) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.632277543790345 2.674446686868409 3.717898449999996 b -4.632277543790337 2.674446686868409 3.717898449999996 c -0.000000000000005 -5.348893373736826 3.717898449999996 Atomic positions (fractional): 1 O 0.42838824527627 0.55423926763651 0.20182501370096 15.999 2 O 0.55423926763651 0.20182501370096 0.42838824527627 15.999 3 O 0.20182501370096 0.42838824527628 0.55423926763651 15.999 4 O 0.07161175472373 0.29817498629904 0.94576073236349 15.999 5 O 0.29817498629904 0.94576073236349 0.07161175472373 15.999 6 O 0.94576073236349 0.07161175472373 0.29817498629904 15.999 7 O 0.57161175472373 0.44576073236349 0.79817498629904 15.999 8 O 0.44576073236349 0.79817498629904 0.57161175472373 15.999 9 O 0.79817498629904 0.57161175472373 0.44576073236349 15.999 10 O 0.92838824527627 0.70182501370096 0.05423926763651 15.999 11 O 0.05423926763651 0.92838824527628 0.70182501370096 15.999 12 O 0.70182501370096 0.05423926763651 0.92838824527627 15.999 13 Ca 0.75000000000000 0.38665180797707 0.11334819202293 40.078 14 Ca 0.38665180797707 0.11334819202293 0.75000000000000 40.078 15 Ca 0.11334819202293 0.75000000000000 0.38665180797707 40.078 16 Ca 0.25000000000000 0.61334819202293 0.88665180797707 40.078 17 Ca 0.61334819202293 0.88665180797707 0.25000000000000 40.078 18 Ca 0.88665180797707 0.25000000000000 0.61334819202293 40.078 19 Ca 0.25000000000000 0.25000000000000 0.25000000000000 40.078 20 Ca 0.75000000000000 0.75000000000000 0.75000000000000 40.078 21 Pt 0.50000000000000 0.50000000000000 0.50000000000000 195.084 22 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.264555087580682 0.000000000000000 0.000000000000000 b -4.632277543790341 8.023340060605236 0.000000000000000 c 0.000000000000000 0.000000000000000 11.153695350000000 Atomic positions (fractional): 1 O 0.03357073640503 0.19299249517029 0.39481750887125 15.999 > 1 2 O 0.15942175876526 0.96642926359497 0.39481750887125 15.999 > 2 3 O 0.80700750482971 0.84057824123474 0.39481750887125 15.999 > 3 4 O 0.63309593026164 0.49275509209860 0.43851582446209 15.999 > 4 5 O 0.85965916183696 0.36690406973836 0.43851582446209 15.999 > 5 6 O 0.50724490790140 0.14034083816304 0.43851582446209 15.999 > 6 7 O 0.96642926359497 0.80700750482971 0.60518249112875 15.999 > 7 8 O 0.84057824123474 0.03357073640503 0.60518249112875 15.999 > 8 9 O 0.19299249517029 0.15942175876526 0.60518249112875 15.999 > 9 10 O 0.36690406973836 0.50724490790140 0.56148417553791 15.999 > 10 11 O 0.49275509209860 0.85965916183696 0.56148417553791 15.999 > 11 12 O 0.14034083816304 0.63309593026164 0.56148417553791 15.999 > 12 13 O 0.70023740307169 0.52632582850362 0.72815084220458 15.999 > 1 14 O 0.82608842543193 0.29976259692831 0.72815084220458 15.999 > 2 15 O 0.47367417149638 0.17391157456807 0.72815084220458 15.999 > 3 16 O 0.29976259692831 0.82608842543193 0.77184915779542 15.999 > 4 17 O 0.52632582850362 0.70023740307169 0.77184915779542 15.999 > 5 18 O 0.17391157456807 0.47367417149638 0.77184915779542 15.999 > 6 19 O 0.63309593026164 0.14034083816304 0.93851582446209 15.999 > 7 20 O 0.50724490790140 0.36690406973836 0.93851582446209 15.999 > 8 21 O 0.85965916183696 0.49275509209860 0.93851582446209 15.999 > 9 22 O 0.03357073640503 0.84057824123474 0.89481750887125 15.999 > 10 23 O 0.15942175876526 0.19299249517029 0.89481750887125 15.999 > 11 24 O 0.80700750482971 0.96642926359497 0.89481750887125 15.999 > 12 25 O 0.36690406973836 0.85965916183696 0.06148417553791 15.999 > 1 26 O 0.49275509209860 0.63309593026164 0.06148417553791 15.999 > 2 27 O 0.14034083816304 0.50724490790140 0.06148417553791 15.999 > 3 28 O 0.96642926359497 0.15942175876526 0.10518249112875 15.999 > 4 29 O 0.19299249517029 0.03357073640503 0.10518249112875 15.999 > 5 30 O 0.84057824123474 0.80700750482971 0.10518249112875 15.999 > 6 31 O 0.29976259692831 0.47367417149638 0.27184915779542 15.999 > 7 32 O 0.17391157456807 0.70023740307169 0.27184915779542 15.999 > 8 33 O 0.52632582850362 0.82608842543193 0.27184915779542 15.999 > 9 34 O 0.70023740307169 0.17391157456807 0.22815084220458 15.999 > 10 35 O 0.82608842543193 0.52632582850362 0.22815084220458 15.999 > 11 36 O 0.47367417149638 0.29976259692831 0.22815084220458 15.999 > 12 37 Ca 0.33333333333333 0.30331847464374 0.41666666666667 40.078 > 37 38 Ca 0.96998514131040 0.66666666666667 0.41666666666667 40.078 > 38 39 Ca 0.69668152535626 0.03001485868960 0.41666666666667 40.078 > 39 40 Ca 0.66666666666667 0.69668152535626 0.58333333333333 40.078 > 40 41 Ca 0.03001485868960 0.33333333333333 0.58333333333333 40.078 > 41 42 Ca 0.30331847464374 0.96998514131040 0.58333333333333 40.078 > 42 43 Ca 0.00000000000000 0.00000000000000 0.25000000000000 40.078 > 43 44 Ca 0.00000000000000 0.00000000000000 0.75000000000000 40.078 > 44 45 Ca 0.00000000000000 0.63665180797707 0.75000000000000 40.078 > 37 46 Ca 0.63665180797707 0.00000000000000 0.75000000000000 40.078 > 38 47 Ca 0.36334819202293 0.36334819202293 0.75000000000000 40.078 > 39 48 Ca 0.33333333333333 0.03001485868960 0.91666666666667 40.078 > 40 49 Ca 0.69668152535626 0.66666666666667 0.91666666666667 40.078 > 41 50 Ca 0.96998514131040 0.30331847464374 0.91666666666667 40.078 > 42 51 Ca 0.66666666666667 0.33333333333333 0.58333333333333 40.078 > 43 52 Ca 0.66666666666667 0.33333333333333 0.08333333333333 40.078 > 44 53 Ca 0.66666666666667 0.96998514131040 0.08333333333333 40.078 > 37 54 Ca 0.30331847464374 0.33333333333333 0.08333333333333 40.078 > 38 55 Ca 0.03001485868960 0.69668152535626 0.08333333333333 40.078 > 39 56 Ca 0.00000000000000 0.36334819202293 0.25000000000000 40.078 > 40 57 Ca 0.36334819202293 0.00000000000000 0.25000000000000 40.078 > 41 58 Ca 0.63665180797707 0.63665180797707 0.25000000000000 40.078 > 42 59 Ca 0.33333333333333 0.66666666666667 0.91666666666667 40.078 > 43 60 Ca 0.33333333333333 0.66666666666667 0.41666666666667 40.078 > 44 61 Pt 0.00000000000000 0.00000000000000 0.50000000000000 195.084 > 61 62 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 62 63 Pt 0.66666666666667 0.33333333333333 0.83333333333333 195.084 > 61 64 Pt 0.66666666666667 0.33333333333333 0.33333333333333 195.084 > 62 65 Pt 0.33333333333333 0.66666666666667 0.16666666666667 195.084 > 61 66 Pt 0.33333333333333 0.66666666666667 0.66666666666667 195.084 > 62 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.6520492 -0.0000000 0.0000000 0.0000000 4.6520492 0.0000000 0.0000000 0.0000000 4.9839550 -------------------------- Born effective charges -------------------------- 1 O -1.5935986 0.3727966 -0.2679829 0.3349238 -2.2452228 0.6609338 -0.3269984 0.6218495 -2.1472226 2 O -2.3887687 0.1241678 0.7063769 0.0862950 -1.4500527 -0.0983869 0.7020366 -0.0277358 -2.1472226 3 O -1.7758648 -0.4401553 -0.4383940 -0.4780281 -2.0629566 -0.5625469 -0.3750383 -0.5941137 -2.1472226 4 O -1.7758648 0.4401553 0.4383940 0.4780281 -2.0629566 -0.5625469 0.3750383 -0.5941137 -2.1472226 5 O -2.3887687 -0.1241678 -0.7063769 -0.0862950 -1.4500527 -0.0983869 -0.7020366 -0.0277358 -2.1472226 6 O -1.5935986 -0.3727966 0.2679829 -0.3349238 -2.2452228 0.6609338 0.3269984 0.6218495 -2.1472226 7 O -1.5935986 0.3727966 -0.2679829 0.3349238 -2.2452228 0.6609338 -0.3269984 0.6218495 -2.1472226 8 O -2.3887687 0.1241678 0.7063769 0.0862950 -1.4500527 -0.0983869 0.7020366 -0.0277358 -2.1472226 9 O -1.7758648 -0.4401553 -0.4383940 -0.4780281 -2.0629566 -0.5625469 -0.3750383 -0.5941137 -2.1472226 10 O -1.7758648 0.4401553 0.4383940 0.4780281 -2.0629566 -0.5625469 0.3750383 -0.5941137 -2.1472226 11 O -1.5935986 -0.3727966 0.2679829 -0.3349238 -2.2452228 0.6609338 0.3269984 0.6218495 -2.1472226 12 O -2.3887687 -0.1241678 -0.7063769 -0.0862950 -1.4500527 -0.0983869 -0.7020366 -0.0277358 -2.1472226 13 Ca 2.8203132 0.1365862 -0.3899125 0.1365862 2.6625970 -0.2251161 -0.2757260 -0.1591905 2.4323775 14 Ca 2.5837389 0.0000000 0.0000000 -0.0000000 2.8991713 0.4502321 -0.0000000 0.3183809 2.4323775 15 Ca 2.8203132 -0.1365862 0.3899125 -0.1365862 2.6625970 -0.2251161 0.2757260 -0.1591905 2.4323775 16 Ca 2.8203132 0.1365862 -0.3899125 0.1365862 2.6625970 -0.2251161 -0.2757260 -0.1591905 2.4323775 17 Ca 2.5837389 0.0000000 0.0000000 -0.0000000 2.8991713 0.4502321 -0.0000000 0.3183809 2.4323775 18 Ca 2.8203132 -0.1365862 0.3899125 -0.1365862 2.6625970 -0.2251161 0.2757260 -0.1591905 2.4323775 19 Ca 1.6138646 0.0000000 0.0000000 -0.0000000 1.6138646 -0.0000000 -0.0000000 -0.0000000 3.7989757 20 Ca 1.6138646 0.0000000 0.0000000 -0.0000000 1.6138646 -0.0000000 -0.0000000 -0.0000000 3.7989757 21 Pt 1.6782342 0.1584479 0.0000000 -0.1584479 1.6782342 -0.0000000 -0.0000000 -0.0000000 1.7872272 22 Pt 1.6782342 -0.1584479 0.0000000 0.1584479 1.6782342 -0.0000000 -0.0000000 -0.0000000 1.7872272 ---------------------------------------------------------------------------- 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] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 43, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:56:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:56:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3c (167) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.632277543790345 2.674446686868409 3.717898449999996 b -4.632277543790337 2.674446686868409 3.717898449999996 c -0.000000000000005 -5.348893373736826 3.717898449999996 Atomic positions (fractional): 1 O 0.42838824527627 0.55423926763651 0.20182501370096 15.999 2 O 0.55423926763651 0.20182501370096 0.42838824527627 15.999 3 O 0.20182501370096 0.42838824527628 0.55423926763651 15.999 4 O 0.07161175472373 0.29817498629904 0.94576073236349 15.999 5 O 0.29817498629904 0.94576073236349 0.07161175472373 15.999 6 O 0.94576073236349 0.07161175472373 0.29817498629904 15.999 7 O 0.57161175472373 0.44576073236349 0.79817498629904 15.999 8 O 0.44576073236349 0.79817498629904 0.57161175472373 15.999 9 O 0.79817498629904 0.57161175472373 0.44576073236349 15.999 10 O 0.92838824527627 0.70182501370096 0.05423926763651 15.999 11 O 0.05423926763651 0.92838824527628 0.70182501370096 15.999 12 O 0.70182501370096 0.05423926763651 0.92838824527627 15.999 13 Ca 0.75000000000000 0.38665180797707 0.11334819202293 40.078 14 Ca 0.38665180797707 0.11334819202293 0.75000000000000 40.078 15 Ca 0.11334819202293 0.75000000000000 0.38665180797707 40.078 16 Ca 0.25000000000000 0.61334819202293 0.88665180797707 40.078 17 Ca 0.61334819202293 0.88665180797707 0.25000000000000 40.078 18 Ca 0.88665180797707 0.25000000000000 0.61334819202293 40.078 19 Ca 0.25000000000000 0.25000000000000 0.25000000000000 40.078 20 Ca 0.75000000000000 0.75000000000000 0.75000000000000 40.078 21 Pt 0.50000000000000 0.50000000000000 0.50000000000000 195.084 22 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.264555087580682 0.000000000000000 0.000000000000000 b -4.632277543790341 8.023340060605236 0.000000000000000 c 0.000000000000000 0.000000000000000 11.153695350000000 Atomic positions (fractional): 1 O 0.03357073640503 0.19299249517029 0.39481750887125 15.999 > 1 2 O 0.15942175876526 0.96642926359497 0.39481750887125 15.999 > 2 3 O 0.80700750482971 0.84057824123474 0.39481750887125 15.999 > 3 4 O 0.63309593026164 0.49275509209860 0.43851582446209 15.999 > 4 5 O 0.85965916183696 0.36690406973836 0.43851582446209 15.999 > 5 6 O 0.50724490790140 0.14034083816304 0.43851582446209 15.999 > 6 7 O 0.96642926359497 0.80700750482971 0.60518249112875 15.999 > 7 8 O 0.84057824123474 0.03357073640503 0.60518249112875 15.999 > 8 9 O 0.19299249517029 0.15942175876526 0.60518249112875 15.999 > 9 10 O 0.36690406973836 0.50724490790140 0.56148417553791 15.999 > 10 11 O 0.49275509209860 0.85965916183696 0.56148417553791 15.999 > 11 12 O 0.14034083816304 0.63309593026164 0.56148417553791 15.999 > 12 13 O 0.70023740307169 0.52632582850362 0.72815084220458 15.999 > 1 14 O 0.82608842543193 0.29976259692831 0.72815084220458 15.999 > 2 15 O 0.47367417149638 0.17391157456807 0.72815084220458 15.999 > 3 16 O 0.29976259692831 0.82608842543193 0.77184915779542 15.999 > 4 17 O 0.52632582850362 0.70023740307169 0.77184915779542 15.999 > 5 18 O 0.17391157456807 0.47367417149638 0.77184915779542 15.999 > 6 19 O 0.63309593026164 0.14034083816304 0.93851582446209 15.999 > 7 20 O 0.50724490790140 0.36690406973836 0.93851582446209 15.999 > 8 21 O 0.85965916183696 0.49275509209860 0.93851582446209 15.999 > 9 22 O 0.03357073640503 0.84057824123474 0.89481750887125 15.999 > 10 23 O 0.15942175876526 0.19299249517029 0.89481750887125 15.999 > 11 24 O 0.80700750482971 0.96642926359497 0.89481750887125 15.999 > 12 25 O 0.36690406973836 0.85965916183696 0.06148417553791 15.999 > 1 26 O 0.49275509209860 0.63309593026164 0.06148417553791 15.999 > 2 27 O 0.14034083816304 0.50724490790140 0.06148417553791 15.999 > 3 28 O 0.96642926359497 0.15942175876526 0.10518249112875 15.999 > 4 29 O 0.19299249517029 0.03357073640503 0.10518249112875 15.999 > 5 30 O 0.84057824123474 0.80700750482971 0.10518249112875 15.999 > 6 31 O 0.29976259692831 0.47367417149638 0.27184915779542 15.999 > 7 32 O 0.17391157456807 0.70023740307169 0.27184915779542 15.999 > 8 33 O 0.52632582850362 0.82608842543193 0.27184915779542 15.999 > 9 34 O 0.70023740307169 0.17391157456807 0.22815084220458 15.999 > 10 35 O 0.82608842543193 0.52632582850362 0.22815084220458 15.999 > 11 36 O 0.47367417149638 0.29976259692831 0.22815084220458 15.999 > 12 37 Ca 0.33333333333333 0.30331847464374 0.41666666666667 40.078 > 37 38 Ca 0.96998514131040 0.66666666666667 0.41666666666667 40.078 > 38 39 Ca 0.69668152535626 0.03001485868960 0.41666666666667 40.078 > 39 40 Ca 0.66666666666667 0.69668152535626 0.58333333333333 40.078 > 40 41 Ca 0.03001485868960 0.33333333333333 0.58333333333333 40.078 > 41 42 Ca 0.30331847464374 0.96998514131040 0.58333333333333 40.078 > 42 43 Ca 0.00000000000000 0.00000000000000 0.25000000000000 40.078 > 43 44 Ca 0.00000000000000 0.00000000000000 0.75000000000000 40.078 > 44 45 Ca 0.00000000000000 0.63665180797707 0.75000000000000 40.078 > 37 46 Ca 0.63665180797707 0.00000000000000 0.75000000000000 40.078 > 38 47 Ca 0.36334819202293 0.36334819202293 0.75000000000000 40.078 > 39 48 Ca 0.33333333333333 0.03001485868960 0.91666666666667 40.078 > 40 49 Ca 0.69668152535626 0.66666666666667 0.91666666666667 40.078 > 41 50 Ca 0.96998514131040 0.30331847464374 0.91666666666667 40.078 > 42 51 Ca 0.66666666666667 0.33333333333333 0.58333333333333 40.078 > 43 52 Ca 0.66666666666667 0.33333333333333 0.08333333333333 40.078 > 44 53 Ca 0.66666666666667 0.96998514131040 0.08333333333333 40.078 > 37 54 Ca 0.30331847464374 0.33333333333333 0.08333333333333 40.078 > 38 55 Ca 0.03001485868960 0.69668152535626 0.08333333333333 40.078 > 39 56 Ca 0.00000000000000 0.36334819202293 0.25000000000000 40.078 > 40 57 Ca 0.36334819202293 0.00000000000000 0.25000000000000 40.078 > 41 58 Ca 0.63665180797707 0.63665180797707 0.25000000000000 40.078 > 42 59 Ca 0.33333333333333 0.66666666666667 0.91666666666667 40.078 > 43 60 Ca 0.33333333333333 0.66666666666667 0.41666666666667 40.078 > 44 61 Pt 0.00000000000000 0.00000000000000 0.50000000000000 195.084 > 61 62 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 62 63 Pt 0.66666666666667 0.33333333333333 0.83333333333333 195.084 > 61 64 Pt 0.66666666666667 0.33333333333333 0.33333333333333 195.084 > 62 65 Pt 0.33333333333333 0.66666666666667 0.16666666666667 195.084 > 61 66 Pt 0.33333333333333 0.66666666666667 0.66666666666667 195.084 > 62 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.6520492 -0.0000000 0.0000000 0.0000000 4.6520492 0.0000000 0.0000000 0.0000000 4.9839550 -------------------------- Born effective charges -------------------------- 1 O -1.5935986 0.3727966 -0.2679829 0.3349238 -2.2452228 0.6609338 -0.3269984 0.6218495 -2.1472226 2 O -2.3887687 0.1241678 0.7063769 0.0862950 -1.4500527 -0.0983869 0.7020366 -0.0277358 -2.1472226 3 O -1.7758648 -0.4401553 -0.4383940 -0.4780281 -2.0629566 -0.5625469 -0.3750383 -0.5941137 -2.1472226 4 O -1.7758648 0.4401553 0.4383940 0.4780281 -2.0629566 -0.5625469 0.3750383 -0.5941137 -2.1472226 5 O -2.3887687 -0.1241678 -0.7063769 -0.0862950 -1.4500527 -0.0983869 -0.7020366 -0.0277358 -2.1472226 6 O -1.5935986 -0.3727966 0.2679829 -0.3349238 -2.2452228 0.6609338 0.3269984 0.6218495 -2.1472226 7 O -1.5935986 0.3727966 -0.2679829 0.3349238 -2.2452228 0.6609338 -0.3269984 0.6218495 -2.1472226 8 O -2.3887687 0.1241678 0.7063769 0.0862950 -1.4500527 -0.0983869 0.7020366 -0.0277358 -2.1472226 9 O -1.7758648 -0.4401553 -0.4383940 -0.4780281 -2.0629566 -0.5625469 -0.3750383 -0.5941137 -2.1472226 10 O -1.7758648 0.4401553 0.4383940 0.4780281 -2.0629566 -0.5625469 0.3750383 -0.5941137 -2.1472226 11 O -1.5935986 -0.3727966 0.2679829 -0.3349238 -2.2452228 0.6609338 0.3269984 0.6218495 -2.1472226 12 O -2.3887687 -0.1241678 -0.7063769 -0.0862950 -1.4500527 -0.0983869 -0.7020366 -0.0277358 -2.1472226 13 Ca 2.8203132 0.1365862 -0.3899125 0.1365862 2.6625970 -0.2251161 -0.2757260 -0.1591905 2.4323775 14 Ca 2.5837389 0.0000000 0.0000000 -0.0000000 2.8991713 0.4502321 -0.0000000 0.3183809 2.4323775 15 Ca 2.8203132 -0.1365862 0.3899125 -0.1365862 2.6625970 -0.2251161 0.2757260 -0.1591905 2.4323775 16 Ca 2.8203132 0.1365862 -0.3899125 0.1365862 2.6625970 -0.2251161 -0.2757260 -0.1591905 2.4323775 17 Ca 2.5837389 0.0000000 0.0000000 -0.0000000 2.8991713 0.4502321 -0.0000000 0.3183809 2.4323775 18 Ca 2.8203132 -0.1365862 0.3899125 -0.1365862 2.6625970 -0.2251161 0.2757260 -0.1591905 2.4323775 19 Ca 1.6138646 0.0000000 0.0000000 -0.0000000 1.6138646 -0.0000000 -0.0000000 -0.0000000 3.7989757 20 Ca 1.6138646 0.0000000 0.0000000 -0.0000000 1.6138646 -0.0000000 -0.0000000 -0.0000000 3.7989757 21 Pt 1.6782342 0.1584479 0.0000000 -0.1584479 1.6782342 -0.0000000 -0.0000000 -0.0000000 1.7872272 22 Pt 1.6782342 -0.1584479 0.0000000 0.1584479 1.6782342 -0.0000000 -0.0000000 -0.0000000 1.7872272 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 8 ] 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: 0.64, Number of G-points: 299, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/65) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 3.299 ( 0.000 0.000 0.000) 0.000 3.299 ( 0.000 0.000 0.000) 0.000 3.610 ( 0.000 0.000 0.000) 0.000 3.610 ( 0.000 0.000 0.000) 0.000 4.269 ( 0.000 0.000 0.000) 0.000 4.316 ( 0.000 0.000 0.000) 0.000 4.316 ( 0.000 0.000 0.000) 0.000 4.539 ( 0.000 0.000 0.000) 0.000 4.618 ( 0.000 0.000 0.000) 0.000 4.652 ( 0.000 0.000 0.000) 0.000 4.905 ( 0.000 0.000 0.000) 0.000 4.905 ( 0.000 0.000 0.000) 0.000 5.139 ( 0.000 0.000 0.000) 0.000 5.139 ( 0.000 0.000 0.000) 0.000 5.157 ( 0.000 0.000 0.000) 0.000 5.407 ( 0.000 0.000 0.000) 0.000 6.288 ( 0.000 0.000 0.000) 0.000 6.331 ( 0.000 0.000 0.000) 0.000 6.331 ( 0.000 0.000 0.000) 0.000 6.381 ( 0.000 0.000 0.000) 0.000 6.963 ( 0.000 0.000 0.000) 0.000 7.061 ( 0.000 0.000 0.000) 0.000 7.061 ( 0.000 0.000 0.000) 0.000 7.201 ( 0.000 0.000 0.000) 0.000 7.201 ( 0.000 0.000 0.000) 0.000 7.601 ( 0.000 0.000 0.000) 0.000 7.688 ( 0.000 0.000 0.000) 0.000 7.688 ( 0.000 0.000 0.000) 0.000 8.439 ( 0.000 0.000 0.000) 0.000 8.439 ( 0.000 0.000 0.000) 0.000 8.792 ( 0.000 0.000 0.000) 0.000 8.792 ( 0.000 0.000 0.000) 0.000 8.979 ( 0.000 0.000 0.000) 0.000 9.130 ( 0.000 0.000 0.000) 0.000 9.131 ( 0.000 0.000 0.000) 0.000 9.131 ( 0.000 0.000 0.000) 0.000 9.653 ( 0.000 0.000 0.000) 0.000 9.973 ( 0.000 0.000 0.000) 0.000 9.973 ( 0.000 0.000 0.000) 0.000 10.437 ( 0.000 0.000 0.000) 0.000 10.437 ( 0.000 0.000 0.000) 0.000 10.799 ( 0.000 0.000 0.000) 0.000 10.799 ( 0.000 0.000 0.000) 0.000 11.089 ( 0.000 0.000 0.000) 0.000 11.089 ( 0.000 0.000 0.000) 0.000 11.899 ( 0.000 0.000 0.000) 0.000 12.181 ( 0.000 0.000 0.000) 0.000 12.181 ( 0.000 0.000 0.000) 0.000 12.253 ( 0.000 0.000 0.000) 0.000 12.597 ( 0.000 0.000 0.000) 0.000 13.709 ( 0.000 0.000 0.000) 0.000 15.417 ( 0.000 0.000 0.000) 0.000 15.740 ( 0.000 0.000 0.000) 0.000 15.740 ( 0.000 0.000 0.000) 0.000 16.662 ( 0.000 0.000 0.000) 0.000 16.972 ( 0.000 0.000 0.000) 0.000 16.972 ( 0.000 0.000 0.000) 0.000 17.825 ( 0.000 0.000 0.000) 0.000 17.825 ( 0.000 0.000 0.000) 0.000 18.193 ( 0.000 0.000 0.000) 0.000 18.193 ( 0.000 0.000 0.000) 0.000 18.342 ( 0.000 0.000 0.000) 0.000 18.684 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/65) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.346 ( 6.094 3.518 25.128) 26.095 0.453 ( 8.544 4.933 26.872) 28.625 1.178 ( 30.925 17.855 52.463) 63.463 3.206 ( -3.457 -1.996 -10.751) 11.468 3.378 ( 6.537 3.774 -1.627) 7.722 3.648 ( -2.721 -1.571 12.213) 12.611 3.695 ( 0.499 0.288 8.626) 8.645 4.138 ( -7.893 -4.557 -6.343) 11.104 4.327 ( 1.913 1.104 -1.844) 2.877 4.431 ( 2.364 1.365 -9.511) 9.895 4.550 ( -2.998 -1.731 -5.777) 6.734 4.567 ( 3.901 2.252 -2.385) 5.097 4.786 ( -11.051 -6.380 6.570) 14.352 4.966 ( 7.206 4.161 -9.038) 12.285 5.023 ( 8.205 4.737 -4.231) 10.377 5.144 ( 1.562 0.902 -0.402) 1.848 5.238 ( 3.101 1.790 6.559) 7.473 5.469 ( 5.889 3.400 0.480) 6.817 5.788 ( 4.704 2.716 9.072) 10.574 6.175 ( -3.483 -2.011 -6.904) 7.990 6.285 ( -5.872 -3.390 0.477) 6.797 6.332 ( -3.317 -1.915 -2.517) 4.583 6.350 ( -4.185 -2.416 4.700) 6.741 6.899 ( -4.747 -2.741 -8.911) 10.462 7.051 ( -0.675 -0.390 14.640) 14.660 7.162 ( -2.575 -1.486 -1.351) 3.265 7.233 ( 2.681 1.548 -5.274) 6.115 7.580 ( -3.708 -2.141 -5.121) 6.675 7.670 ( -1.189 -0.686 6.097) 6.249 7.788 ( 22.192 12.813 -40.982) 48.334 7.794 ( 4.796 2.769 7.747) 9.523 8.395 ( -4.632 -2.674 -0.071) 5.349 8.477 ( 4.099 2.367 -1.498) 4.965 8.643 ( -6.522 -3.765 -10.435) 12.868 8.949 ( -2.214 -1.278 -1.509) 2.968 9.014 ( 9.832 5.677 -6.531) 13.097 9.102 ( 8.838 5.103 -16.323) 19.251 9.181 ( -1.106 -0.639 6.927) 7.044 9.356 ( 3.035 1.752 -4.164) 5.442 9.699 ( -0.381 -0.220 7.039) 7.053 9.936 ( -5.591 -3.228 2.387) 6.883 9.986 ( -0.430 -0.248 -11.201) 11.212 10.440 ( 2.411 1.392 -3.505) 4.477 10.503 ( 6.517 3.762 0.299) 7.531 10.799 ( 3.479 2.008 -3.722) 5.476 10.805 ( 0.870 0.502 -0.910) 1.356 11.124 ( 1.239 0.716 3.712) 3.978 11.140 ( 0.426 0.246 7.130) 7.147 12.082 ( -6.308 -3.642 3.108) 7.919 12.086 ( -5.399 -3.117 -2.137) 6.590 12.343 ( 8.335 4.812 -3.563) 10.263 12.618 ( -1.499 -0.866 5.685) 5.943 13.055 ( -31.197 -18.011 48.572) 60.472 13.671 ( -2.166 -1.251 -3.315) 4.153 15.609 ( -4.705 -2.716 17.633) 18.451 15.817 ( 6.042 3.488 3.462) 7.788 16.444 ( -13.782 -7.957 24.751) 29.425 16.680 ( 1.434 0.828 0.416) 1.707 16.936 ( -2.648 -1.529 -1.055) 3.235 17.789 ( -2.344 -1.353 -2.760) 3.865 17.861 ( 2.752 1.589 1.219) 3.403 18.186 ( 0.061 0.035 -1.329) 1.331 18.258 ( 3.995 2.307 4.748) 6.620 18.353 ( 0.381 0.220 1.466) 1.531 18.671 ( -0.246 -0.142 -1.940) 1.960 19.091 ( 8.367 4.831 -14.348) 17.297 ======================= Grid point 2 (3/65) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( 13.321 7.691 24.530) 28.954 0.912 ( 9.959 5.750 25.404) 27.885 2.242 ( 25.138 14.514 42.864) 51.768 2.952 ( -8.076 -4.663 -12.543) 15.630 3.252 ( -17.742 -10.243 -6.227) 21.412 3.828 ( 0.053 0.031 13.443) 13.443 3.864 ( 8.592 4.960 15.613) 18.498 4.017 ( 5.714 3.299 -8.154) 10.489 4.321 ( 2.027 1.170 -7.454) 7.813 4.407 ( 3.106 1.793 -2.434) 4.334 4.458 ( -1.256 -0.725 -2.904) 3.246 4.622 ( 2.552 1.473 0.224) 2.955 4.662 ( -4.077 -2.354 -2.853) 5.505 4.953 ( 4.961 2.864 -10.403) 11.876 5.112 ( 7.944 4.586 -6.830) 11.436 5.146 ( -0.150 -0.087 -3.439) 3.444 5.375 ( 1.469 0.848 10.900) 11.031 5.606 ( 8.309 4.797 0.267) 9.598 5.913 ( -6.009 -3.469 5.352) 8.763 6.023 ( -2.093 -1.208 -14.568) 14.767 6.158 ( -9.183 -5.302 -1.955) 10.783 6.192 ( -3.630 -2.096 2.678) 4.974 6.431 ( 7.784 4.494 8.569) 12.418 6.773 ( -0.727 -0.420 -6.180) 6.236 7.102 ( -1.976 -1.141 -1.973) 3.016 7.149 ( -0.239 -0.138 -1.359) 1.386 7.271 ( 0.265 0.153 13.388) 13.391 7.349 ( -12.179 -7.031 -5.865) 15.237 7.715 ( -2.535 -1.464 3.957) 4.922 7.783 ( 10.742 6.202 -11.586) 16.973 7.919 ( 3.643 2.103 -4.552) 6.197 8.313 ( -5.098 -2.943 3.542) 6.870 8.396 ( -7.675 -4.431 -7.906) 11.877 8.513 ( 2.228 1.286 -2.929) 3.899 8.884 ( -4.437 -2.562 0.993) 5.219 9.029 ( 1.924 1.111 -6.291) 6.672 9.199 ( 15.943 9.204 -11.774) 21.852 9.220 ( -4.428 -2.557 9.686) 10.952 9.358 ( 4.158 2.400 -5.992) 7.678 9.753 ( -1.261 -0.728 3.970) 4.229 9.824 ( -5.391 -3.112 -6.731) 9.168 9.827 ( -9.835 -5.678 3.155) 11.787 10.455 ( 3.449 1.991 -2.242) 4.570 10.652 ( 7.682 4.435 2.472) 9.209 10.795 ( -0.058 -0.034 -2.623) 2.624 10.861 ( 6.254 3.611 -1.942) 7.478 11.225 ( 3.225 1.862 7.016) 7.943 11.242 ( 0.308 0.178 9.705) 9.711 11.961 ( -4.637 -2.677 -4.136) 6.765 11.975 ( -4.399 -2.540 -4.610) 6.859 12.447 ( 9.580 5.531 -6.803) 12.986 12.654 ( -4.929 -2.846 10.232) 11.708 13.046 ( -11.282 -6.514 19.008) 23.044 13.561 ( -4.024 -2.323 -6.048) 7.627 15.765 ( 3.257 1.880 11.725) 12.314 16.006 ( 9.211 5.318 3.738) 11.274 16.482 ( -7.604 -4.390 16.106) 18.344 16.685 ( -1.795 -1.037 -1.286) 2.440 16.910 ( 1.946 1.123 0.852) 2.403 17.678 ( -4.943 -2.854 -5.286) 7.779 17.933 ( 3.017 1.742 1.829) 3.934 18.166 ( -0.099 -0.057 -2.256) 2.259 18.378 ( 1.249 0.721 2.669) 3.033 18.439 ( 5.963 3.443 8.264) 10.757 18.632 ( -0.566 -0.327 -3.660) 3.718 19.065 ( 2.574 1.486 -8.179) 8.702 ======================= Grid point 3 (4/65) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 18.416 10.633 21.612) 30.320 1.378 ( 11.315 6.533 23.208) 26.633 2.459 ( -9.055 -5.228 -19.538) 22.160 2.733 ( -25.121 -14.503 -12.094) 31.427 3.211 ( 15.192 8.771 37.593) 41.485 3.994 ( 0.851 0.491 14.909) 14.942 4.029 ( 2.612 1.508 -11.672) 12.055 4.181 ( 7.048 4.069 7.051) 10.768 4.267 ( 5.409 3.123 -7.831) 10.017 4.444 ( 0.435 0.251 -3.725) 3.759 4.450 ( 2.303 1.330 1.067) 2.866 4.556 ( -1.288 -0.744 1.095) 1.847 4.717 ( 6.614 3.819 -1.542) 7.792 4.918 ( 2.553 1.474 -9.334) 9.788 5.088 ( -2.239 -1.293 0.137) 2.589 5.139 ( 3.545 2.047 -6.808) 7.944 5.537 ( 2.113 1.220 11.754) 12.004 5.719 ( -0.914 -0.528 -3.524) 3.678 5.743 ( -13.656 -7.884 3.477) 16.148 5.782 ( -0.264 -0.153 -10.600) 10.605 6.055 ( 3.033 1.751 -6.878) 7.719 6.180 ( -4.826 -2.786 6.073) 8.242 6.702 ( -1.768 -1.021 -2.056) 2.898 6.744 ( 12.800 7.390 -0.434) 14.787 7.010 ( -1.672 -0.965 -1.958) 2.749 7.128 ( 2.614 1.509 -4.891) 5.748 7.161 ( -6.776 -3.912 7.843) 11.078 7.405 ( -5.087 -2.937 13.737) 14.941 7.690 ( -1.739 -1.004 0.114) 2.011 7.814 ( -1.497 -0.864 -13.014) 13.129 7.865 ( 3.694 2.133 1.262) 4.448 8.106 ( -3.967 -2.290 -15.353) 16.022 8.410 ( -3.243 -1.872 15.093) 15.550 8.501 ( 1.460 0.843 -4.136) 4.466 8.825 ( -5.375 -3.103 5.660) 8.399 8.966 ( 2.527 1.459 -12.841) 13.168 9.261 ( -3.923 -2.265 11.504) 12.364 9.336 ( 11.324 6.538 -6.616) 14.654 9.381 ( 6.827 3.941 -9.917) 12.668 9.664 ( -11.672 -6.739 3.073) 13.823 9.685 ( -2.887 -1.667 -2.293) 4.046 9.738 ( -2.585 -1.492 0.161) 2.989 10.525 ( 4.641 2.680 1.381) 5.534 10.737 ( -2.366 -1.366 -3.562) 4.489 10.813 ( 6.018 3.474 3.096) 7.607 10.936 ( 2.930 1.692 -1.181) 3.583 11.373 ( 0.846 0.488 11.710) 11.751 11.382 ( 5.721 3.303 5.507) 8.601 11.825 ( -3.548 -2.048 -6.692) 7.846 11.829 ( -4.874 -2.814 -5.940) 8.183 12.536 ( 10.258 5.922 -9.224) 15.013 12.655 ( -9.051 -5.226 12.261) 16.110 13.095 ( -0.941 -0.543 9.865) 9.925 13.400 ( -4.949 -2.858 -7.674) 9.568 15.969 ( 5.831 3.366 9.124) 11.339 16.172 ( 5.609 3.238 -0.872) 6.535 16.523 ( -6.129 -3.538 12.830) 14.652 16.602 ( -1.920 -1.109 -4.736) 5.229 17.035 ( 7.283 4.205 5.239) 9.908 17.495 ( -7.436 -4.293 -7.252) 11.238 18.006 ( 2.417 1.395 2.557) 3.785 18.130 ( -0.757 -0.437 -2.876) 3.006 18.432 ( 1.073 0.619 3.763) 3.961 18.571 ( -0.893 -0.515 -4.690) 4.802 18.656 ( 6.192 3.575 9.400) 11.810 18.992 ( -1.012 -0.584 -7.759) 7.846 ======================= Grid point 4 (5/65) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( -0.677 -0.391 -6.111) 6.161 1.750 ( 0.677 0.391 6.111) 6.161 2.220 ( -11.969 -6.910 -1.197) 13.872 2.220 ( 11.969 6.910 1.197) 13.872 3.775 ( -6.326 -3.652 -26.126) 27.128 3.775 ( 6.326 3.652 26.126) 27.128 4.188 ( -1.705 -0.985 -13.511) 13.654 4.188 ( 1.705 0.985 13.511) 13.654 4.331 ( -4.106 -2.371 -5.994) 7.642 4.331 ( 4.106 2.371 5.994) 7.642 4.563 ( -3.138 -1.812 -0.946) 3.745 4.563 ( 3.138 1.812 0.946) 3.745 4.825 ( -3.732 -2.154 -3.854) 5.781 4.825 ( 3.732 2.154 3.854) 5.781 5.101 ( 0.324 0.187 -4.766) 4.780 5.101 ( -0.324 -0.187 4.766) 4.780 5.603 ( 4.724 2.727 -7.851) 9.560 5.603 ( -4.724 -2.727 7.851) 9.560 5.710 ( -3.205 -1.850 -6.662) 7.621 5.710 ( 3.205 1.850 6.662) 7.621 6.119 ( -10.023 -5.787 6.892) 13.470 6.119 ( 10.023 5.787 -6.892) 13.470 6.703 ( -0.850 -0.491 -5.623) 5.708 6.703 ( 0.850 0.491 5.623) 5.708 7.115 ( 1.659 0.958 -5.849) 6.155 7.115 ( -1.659 -0.958 5.849) 6.155 7.300 ( -12.038 -6.950 -4.771) 14.696 7.300 ( 12.038 6.950 4.771) 14.696 7.686 ( -0.419 -0.242 -3.236) 3.272 7.686 ( 0.419 0.242 3.236) 3.272 7.942 ( 0.301 0.174 -8.638) 8.645 7.942 ( -0.301 -0.174 8.638) 8.645 8.483 ( 3.207 1.851 -7.627) 8.478 8.483 ( -3.207 -1.851 7.627) 8.478 8.855 ( 2.655 1.533 -12.719) 13.083 8.855 ( -2.655 -1.533 12.719) 13.083 9.334 ( 3.709 2.141 -13.028) 13.714 9.334 ( -3.709 -2.141 13.028) 13.714 9.489 ( -11.582 -6.687 3.566) 13.841 9.489 ( 11.582 6.687 -3.566) 13.841 9.684 ( -2.280 -1.316 -0.772) 2.743 9.684 ( 2.280 1.316 0.772) 2.743 10.636 ( -4.228 -2.441 -3.394) 5.946 10.636 ( 4.228 2.441 3.394) 5.946 10.922 ( -2.261 -1.305 -2.310) 3.486 10.922 ( 2.261 1.305 2.310) 3.486 11.487 ( 3.837 2.216 -7.695) 8.880 11.487 ( -3.837 -2.216 7.695) 8.880 11.724 ( 2.326 1.343 -4.340) 5.104 11.724 ( -2.326 -1.343 4.340) 5.104 12.609 ( 10.441 6.028 -11.130) 16.408 12.609 ( -10.441 -6.028 11.130) 16.408 13.227 ( -3.879 -2.240 -8.210) 9.352 13.227 ( 3.879 2.240 8.210) 9.352 16.148 ( -3.378 -1.950 -6.038) 7.188 16.148 ( 3.378 1.950 6.038) 7.188 16.549 ( 4.154 2.398 -8.917) 10.125 16.549 ( -4.154 -2.398 8.917) 10.125 17.260 ( -8.741 -5.047 -7.773) 12.740 17.260 ( 8.741 5.047 7.773) 12.740 18.075 ( -1.630 -0.941 -3.027) 3.564 18.075 ( 1.630 0.941 3.027) 3.564 18.500 ( -1.085 -0.627 -4.654) 4.819 18.500 ( 1.085 0.627 4.654) 4.819 18.853 ( -4.081 -2.356 -8.741) 9.930 18.853 ( 4.081 2.356 8.741) 9.930 ======================= Grid point 10 (6/65) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( -0.000 -7.065 34.480) 35.196 0.938 ( -0.000 10.146 33.729) 35.222 1.780 ( -0.000 23.314 60.174) 64.533 3.121 ( 0.000 -4.038 -9.287) 10.127 3.338 ( -0.000 6.266 1.143) 6.370 3.817 ( -0.000 0.115 14.892) 14.892 3.837 ( -0.000 2.059 13.992) 14.142 4.099 ( 0.000 -2.887 -15.976) 16.235 4.293 ( 0.000 -0.588 -5.537) 5.568 4.307 ( 0.000 -3.843 1.247) 4.041 4.480 ( 0.000 -0.931 -6.470) 6.537 4.491 ( 0.000 0.442 -6.660) 6.675 4.758 ( 0.000 -6.312 -10.368) 12.139 4.901 ( 0.000 5.554 -4.922) 7.421 4.979 ( -0.000 14.216 -6.984) 15.839 5.228 ( -0.000 2.928 4.456) 5.332 5.253 ( -0.000 9.561 -0.927) 9.606 5.486 ( -0.000 6.189 2.177) 6.561 5.800 ( -0.000 -11.472 12.131) 16.696 6.069 ( 0.000 -1.014 -11.661) 11.705 6.310 ( 0.000 -3.708 0.388) 3.729 6.311 ( 0.000 -7.485 1.737) 7.684 6.415 ( -0.000 -6.982 7.811) 10.476 6.909 ( 0.000 -3.934 -12.235) 12.852 7.084 ( 0.000 5.721 -4.127) 7.054 7.147 ( 0.000 2.790 -2.729) 3.903 7.271 ( -0.000 1.351 17.384) 17.437 7.330 ( 0.000 11.678 -19.270) 22.532 7.644 ( -0.000 4.486 -0.600) 4.526 7.646 ( 0.000 -5.687 1.347) 5.844 7.909 ( -0.000 13.781 1.020) 13.819 8.425 ( 0.000 -3.109 1.644) 3.517 8.449 ( -0.000 -3.719 2.941) 4.742 8.565 ( 0.000 -4.448 -16.516) 17.105 8.787 ( 0.000 7.150 -5.273) 8.885 8.926 ( 0.000 -5.514 0.584) 5.545 9.128 ( -0.000 -1.571 2.355) 2.831 9.155 ( 0.000 0.356 -0.435) 0.562 9.413 ( -0.000 15.286 -5.361) 16.199 9.755 ( 0.000 -11.846 5.203) 12.939 9.897 ( -0.000 -4.084 4.398) 6.002 10.037 ( -0.000 3.259 0.232) 3.268 10.366 ( 0.000 -1.836 -3.033) 3.546 10.520 ( -0.000 7.760 2.058) 8.028 10.711 ( 0.000 -1.365 -4.465) 4.669 10.825 ( -0.000 7.226 -2.184) 7.549 11.171 ( -0.000 -2.007 8.278) 8.517 11.254 ( -0.000 3.783 8.436) 9.245 12.027 ( 0.000 -6.953 -5.076) 8.608 12.093 ( 0.000 -4.452 -2.760) 5.239 12.268 ( 0.000 8.039 -7.361) 10.900 12.663 ( -0.000 2.487 3.758) 4.506 13.389 ( 0.000 -24.897 13.744) 28.438 13.617 ( 0.000 -2.118 -6.492) 6.828 15.773 ( -0.000 -3.573 11.784) 12.314 15.848 ( -0.000 5.552 5.044) 7.501 16.693 ( -0.000 2.081 1.262) 2.434 16.693 ( -0.000 -19.649 17.237) 26.138 17.008 ( -0.000 -0.384 3.547) 3.568 17.792 ( 0.000 -0.029 -2.757) 2.757 17.851 ( -0.000 1.614 0.702) 1.761 18.217 ( -0.000 -0.586 2.047) 2.129 18.231 ( -0.000 -1.334 4.122) 4.332 18.376 ( -0.000 0.591 2.651) 2.717 18.643 ( 0.000 0.549 -3.439) 3.483 18.949 ( 0.000 11.523 -9.191) 14.740 ======================= Grid point 11 (7/65) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 5.986 -1.854 32.078) 32.684 1.342 ( -4.808 11.143 32.711) 34.890 2.627 ( 1.047 14.081 35.890) 38.567 2.955 ( -0.828 -1.169 6.289) 6.450 3.365 ( -13.375 -3.053 -2.000) 13.864 3.795 ( 3.991 1.385 -12.509) 13.203 4.002 ( -0.133 0.042 14.539) 14.539 4.051 ( 2.196 1.967 10.925) 11.316 4.213 ( -1.364 -0.181 -2.477) 2.833 4.347 ( 3.721 1.106 -1.250) 4.078 4.416 ( 2.451 0.904 -5.710) 6.280 4.489 ( 7.220 3.979 -9.314) 12.438 4.601 ( 4.537 -8.794 -9.864) 13.972 4.870 ( -3.404 8.241 -5.455) 10.453 5.020 ( 3.140 10.092 -7.623) 13.031 5.161 ( -6.542 4.314 -1.070) 7.909 5.469 ( 8.580 3.641 6.754) 11.511 5.585 ( 2.529 4.907 4.061) 6.853 5.863 ( -1.251 -6.498 -4.729) 8.133 5.961 ( 4.268 -1.436 0.043) 4.503 6.213 ( -4.473 -7.985 0.742) 9.182 6.228 ( -8.535 -5.343 0.878) 10.108 6.464 ( 1.865 -4.391 8.700) 9.922 6.743 ( -1.804 0.689 -4.601) 4.990 7.017 ( -0.313 -0.192 -11.550) 11.556 7.127 ( -1.870 3.539 -4.210) 5.809 7.358 ( 14.809 -0.646 -9.995) 17.879 7.453 ( -3.583 -3.791 9.646) 10.966 7.520 ( -7.199 2.220 8.259) 11.179 7.743 ( 4.719 -0.262 -1.644) 5.004 7.972 ( -2.616 13.705 -5.085) 14.850 8.236 ( -5.483 -7.144 -15.985) 18.348 8.456 ( 0.098 -4.738 1.328) 4.921 8.484 ( 0.884 -3.735 8.400) 9.235 8.846 ( 6.714 5.875 -10.740) 13.962 8.907 ( 1.761 -4.405 2.587) 5.403 9.086 ( -1.079 1.413 -0.576) 1.869 9.201 ( 4.203 0.854 -3.719) 5.677 9.435 ( -5.126 11.603 -2.001) 12.842 9.664 ( 1.039 -15.554 0.491) 15.597 9.904 ( -6.275 -4.639 6.584) 10.210 10.005 ( -7.780 2.385 1.669) 8.307 10.370 ( 5.006 -1.224 -0.301) 5.162 10.653 ( 4.422 8.346 3.150) 9.957 10.684 ( 4.244 -2.737 -3.618) 6.212 10.880 ( 0.751 9.435 -0.243) 9.468 11.270 ( 1.996 -0.627 8.199) 8.462 11.376 ( -0.294 3.839 8.394) 9.235 11.898 ( -1.795 -6.669 -5.846) 9.049 11.979 ( -5.011 -2.633 -4.676) 7.342 12.288 ( 7.013 6.338 -9.119) 13.135 12.740 ( 0.661 1.562 5.643) 5.892 13.281 ( -8.203 -13.023 8.284) 17.479 13.497 ( -1.925 -2.536 -8.953) 9.503 15.887 ( 0.078 2.372 10.727) 10.987 16.003 ( 5.284 6.298 5.046) 9.646 16.651 ( -5.786 -7.404 7.770) 12.193 16.811 ( 2.404 1.696 8.444) 8.942 16.960 ( -9.900 -0.995 5.290) 11.269 17.696 ( -6.888 -0.739 -3.979) 7.989 17.913 ( 4.241 1.431 1.419) 4.696 18.170 ( -3.365 0.138 -0.345) 3.385 18.378 ( 7.040 -1.590 4.143) 8.322 18.436 ( 4.429 0.086 4.826) 6.551 18.608 ( -0.392 2.050 -3.217) 3.835 18.951 ( 2.568 4.756 -7.428) 9.187 ======================= Grid point 12 (8/65) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( 10.348 4.522 27.695) 29.909 1.743 ( -1.579 12.282 30.145) 32.589 2.423 ( -18.905 -4.672 -12.614) 23.202 2.868 ( -28.525 -10.054 -13.506) 33.124 3.563 ( 9.050 9.061 40.796) 42.759 3.859 ( 3.526 1.023 -7.680) 8.513 4.062 ( 6.401 -3.984 -1.936) 7.784 4.183 ( 0.497 1.803 7.735) 7.958 4.262 ( 0.564 3.159 1.865) 3.711 4.397 ( 0.721 -0.678 -4.327) 4.439 4.421 ( 3.470 2.990 2.431) 5.185 4.481 ( 8.950 2.406 -5.865) 10.967 4.632 ( 9.456 2.605 -1.284) 9.892 4.832 ( -1.295 7.617 -6.188) 9.899 5.040 ( 3.112 4.109 -6.174) 8.043 5.116 ( -2.405 3.311 -0.950) 4.201 5.619 ( -1.922 -1.514 -12.261) 12.503 5.677 ( -0.838 1.093 9.992) 10.087 5.721 ( 4.228 1.154 4.403) 6.212 5.903 ( -10.805 -7.081 1.060) 12.962 6.049 ( -8.997 -3.526 -1.323) 9.753 6.230 ( 3.715 -4.536 7.127) 9.229 6.582 ( 6.732 -5.272 4.626) 9.722 6.723 ( 0.497 0.607 -3.912) 3.990 6.942 ( 7.761 0.922 -3.827) 8.702 7.080 ( -0.624 4.711 -5.824) 7.517 7.317 ( -9.006 -2.071 3.651) 9.936 7.466 ( 11.425 -1.880 -7.877) 14.004 7.594 ( -7.406 -3.982 6.871) 10.859 7.697 ( -0.701 4.402 -11.060) 11.924 7.958 ( -0.643 -2.727 -11.431) 11.769 8.025 ( -2.159 4.970 5.858) 7.980 8.419 ( 0.938 -2.791 -3.824) 4.827 8.565 ( -1.616 -3.629 8.489) 9.372 8.802 ( 2.258 1.590 -9.857) 10.237 8.916 ( -0.248 -3.825 3.284) 5.048 9.136 ( 9.829 3.638 -7.998) 13.183 9.205 ( 2.881 1.173 -3.584) 4.746 9.417 ( -4.576 1.601 2.002) 5.245 9.621 ( 1.829 -6.260 4.522) 7.936 9.805 ( -9.554 -4.747 3.400) 11.197 9.939 ( -10.338 5.122 3.344) 12.012 10.461 ( 7.344 -1.664 2.993) 8.103 10.650 ( 2.599 -5.858 -4.111) 7.614 10.824 ( 4.446 7.623 3.494) 9.491 10.961 ( -0.654 8.143 0.271) 8.174 11.377 ( 3.206 1.218 2.219) 4.085 11.504 ( 1.522 3.092 8.888) 9.533 11.751 ( -2.778 -6.095 -5.831) 8.881 11.840 ( -5.445 -1.810 -3.100) 6.522 12.336 ( 8.963 5.248 -9.996) 14.415 12.807 ( -2.553 -2.401 7.724) 8.482 13.205 ( -3.328 -3.784 5.317) 7.325 13.333 ( -3.191 -2.374 -10.177) 10.927 16.047 ( 2.563 4.629 8.853) 10.314 16.148 ( 2.923 5.629 0.393) 6.355 16.585 ( -5.723 -4.480 2.225) 7.601 16.829 ( -14.895 -0.987 11.099) 18.601 17.037 ( 8.182 2.660 8.341) 11.983 17.519 ( -10.028 -2.026 -5.077) 11.421 18.003 ( 3.962 1.382 2.480) 4.874 18.120 ( -2.377 0.365 -2.129) 3.212 18.457 ( 2.491 -0.599 2.723) 3.739 18.506 ( 1.238 -1.716 -2.253) 3.091 18.685 ( 7.403 3.167 5.092) 9.527 18.908 ( -0.453 1.397 -7.025) 7.177 ======================= Grid point 13 (9/65) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( -12.762 -0.771 -3.137) 13.165 1.992 ( -22.719 2.845 6.489) 23.798 2.190 ( 10.425 6.678 10.373) 16.152 2.380 ( -9.086 -0.330 8.395) 12.375 3.613 ( -13.199 -6.347 -16.900) 22.363 3.965 ( 2.391 -6.428 -0.264) 6.863 4.084 ( -1.853 3.702 6.650) 7.833 4.275 ( 5.630 -1.746 7.211) 9.314 4.288 ( -1.054 -1.088 -4.929) 5.157 4.371 ( 3.915 4.806 2.853) 6.824 4.550 ( 0.295 0.612 2.863) 2.943 4.559 ( 1.542 0.205 1.008) 1.854 4.779 ( 4.935 3.632 -3.577) 7.095 4.834 ( 3.490 7.641 1.807) 8.592 5.036 ( 2.217 1.233 -4.214) 4.918 5.141 ( 1.441 2.200 2.791) 3.834 5.467 ( 2.602 4.660 -10.038) 11.369 5.705 ( -5.807 -6.729 -1.175) 8.966 5.729 ( -8.261 -3.451 4.958) 10.234 5.815 ( -1.355 0.202 7.931) 8.048 6.010 ( 4.177 3.791 0.390) 5.655 6.293 ( -5.520 -6.273 11.904) 14.544 6.616 ( 2.416 -6.046 -2.403) 6.940 6.715 ( 5.797 -3.666 6.944) 9.761 7.059 ( 1.203 6.053 -5.742) 8.429 7.113 ( 10.190 5.948 -5.520) 13.026 7.243 ( -1.101 -4.272 -1.041) 4.533 7.327 ( -13.091 -6.298 -8.871) 17.022 7.522 ( 7.217 4.114 -11.005) 13.788 7.657 ( 4.111 5.160 -2.061) 6.912 7.931 ( 1.987 -3.906 5.026) 6.668 8.136 ( -1.740 2.962 11.089) 11.609 8.341 ( 0.238 0.025 -10.425) 10.428 8.555 ( -1.678 -4.250 3.017) 5.476 8.736 ( -0.456 2.259 -6.474) 6.872 8.983 ( 5.303 -3.801 7.256) 9.758 9.116 ( 4.051 3.405 -12.907) 13.950 9.290 ( 9.050 -0.479 -0.519) 9.077 9.425 ( 0.641 -3.003 5.632) 6.415 9.631 ( -8.038 -7.929 8.541) 14.158 9.732 ( -2.009 8.031 0.278) 8.283 9.883 ( -10.745 5.035 5.428) 13.049 10.572 ( 1.440 -7.031 -3.086) 7.812 10.593 ( 6.736 -2.871 3.755) 8.229 10.935 ( -0.625 4.544 -1.408) 4.799 10.983 ( -2.663 5.712 1.986) 6.607 11.369 ( 0.831 -0.000 -9.639) 9.675 11.582 ( -6.979 -3.148 -4.494) 8.877 11.677 ( 5.528 1.263 7.245) 9.200 11.792 ( -1.042 -0.371 5.151) 5.268 12.378 ( 9.354 4.571 -11.749) 15.698 12.791 ( -7.435 -5.712 7.626) 12.085 13.158 ( -3.328 -1.542 -9.930) 10.586 13.266 ( 3.912 2.078 4.820) 6.546 16.139 ( -4.871 1.383 -4.739) 6.935 16.203 ( 2.285 4.040 5.625) 7.293 16.495 ( -4.356 1.191 -3.091) 5.472 16.747 ( -11.733 -4.915 10.991) 16.812 17.283 ( 1.429 2.136 3.728) 4.528 17.297 ( -4.691 -0.147 0.744) 4.752 18.058 ( -1.420 -0.246 -2.735) 3.091 18.096 ( 1.751 1.653 3.135) 3.953 18.450 ( 0.182 -1.071 -3.940) 4.087 18.529 ( 1.591 -0.652 3.615) 4.003 18.774 ( -0.572 -1.139 -8.248) 8.346 18.895 ( 4.281 2.136 5.881) 7.582 ======================= Grid point 14 (10/65) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( -21.340 -4.040 -15.851) 26.888 1.508 ( -33.961 -2.755 -4.678) 34.392 2.637 ( 11.643 7.442 21.366) 25.445 2.738 ( 11.003 12.472 18.570) 24.929 3.032 ( -24.520 -9.181 -27.219) 37.768 3.785 ( 2.525 -7.862 -14.333) 16.541 4.060 ( -5.418 0.657 -11.618) 12.836 4.286 ( -1.556 -3.576 7.573) 8.518 4.371 ( -4.394 -2.452 4.927) 7.042 4.424 ( -1.298 -3.515 -1.651) 4.094 4.529 ( -3.425 3.917 5.923) 7.884 4.554 ( -0.636 2.332 -0.933) 2.591 4.745 ( -1.882 -0.463 -3.402) 3.915 5.011 ( 1.211 1.112 5.531) 5.771 5.057 ( 5.155 3.216 1.682) 6.304 5.221 ( 1.407 1.857 2.962) 3.768 5.489 ( -2.242 0.120 -3.464) 4.128 5.590 ( 6.908 2.465 -3.231) 8.014 5.735 ( 0.098 -1.274 3.848) 4.055 5.905 ( 2.594 2.235 8.613) 9.269 6.074 ( 1.718 1.462 -1.929) 2.968 6.243 ( -11.964 -6.071 10.844) 17.251 6.608 ( 3.944 -9.385 1.067) 10.236 6.828 ( -5.832 -9.393 -7.779) 13.519 6.997 ( 7.499 3.165 3.406) 8.823 7.062 ( 0.999 5.481 -3.835) 6.764 7.203 ( -0.701 8.757 -2.874) 9.243 7.263 ( 2.480 1.618 -3.136) 4.313 7.517 ( 7.417 6.209 -12.442) 15.760 7.775 ( 6.056 -9.672 6.866) 13.318 8.042 ( 4.126 0.447 6.501) 7.713 8.165 ( 4.521 0.499 -12.021) 12.853 8.310 ( -4.541 6.280 12.132) 14.396 8.545 ( -1.208 -0.780 1.066) 1.790 8.723 ( 4.741 0.131 -1.493) 4.972 9.031 ( 8.393 1.234 -14.487) 16.788 9.140 ( -1.891 -0.521 11.364) 11.533 9.352 ( 5.085 -7.466 -0.446) 9.044 9.495 ( 1.640 -3.969 5.818) 7.231 9.573 ( -2.966 -0.139 5.016) 5.829 9.787 ( -3.292 5.933 3.223) 7.512 9.872 ( -7.198 9.435 5.493) 13.077 10.487 ( 0.930 -8.866 -1.843) 9.103 10.705 ( 5.504 -2.709 3.251) 6.943 10.857 ( -6.664 1.888 -4.050) 8.023 11.019 ( -3.786 3.068 2.914) 5.678 11.235 ( -0.253 -2.551 -10.720) 11.023 11.397 ( -7.636 0.367 -7.163) 10.476 11.824 ( 4.764 -1.636 5.745) 7.640 11.893 ( 2.240 2.418 7.550) 8.238 12.388 ( 9.685 4.140 -15.866) 19.044 12.710 ( -9.040 -5.158 5.959) 11.993 13.006 ( -2.762 -0.388 -8.449) 8.897 13.414 ( 6.345 2.648 4.577) 8.260 15.959 ( -9.860 -1.802 -7.242) 12.366 16.262 ( -4.845 1.424 1.664) 5.317 16.395 ( -3.573 -1.263 -5.025) 6.294 16.713 ( -4.717 3.146 5.345) 7.792 17.068 ( -9.964 -5.142 -2.280) 11.442 17.530 ( 6.629 5.001 8.026) 11.549 17.996 ( -2.047 -0.965 -2.644) 3.480 18.165 ( 0.503 1.760 3.376) 3.840 18.403 ( -0.640 -0.307 -2.832) 2.920 18.541 ( -0.313 -5.912 -3.741) 7.003 18.657 ( -3.063 2.000 -1.861) 4.104 19.032 ( 4.285 0.500 4.794) 6.449 ======================= Grid point 15 (11/65) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( -21.016 -2.709 -13.110) 24.918 1.064 ( -33.297 2.293 7.994) 34.320 2.137 ( -38.349 -11.525 -30.999) 50.640 3.063 ( 7.691 4.535 16.859) 19.078 3.210 ( 14.555 11.317 11.094) 21.517 3.639 ( 4.881 -5.821 -10.938) 13.317 3.783 ( -9.477 -1.431 -16.030) 18.677 4.192 ( -9.535 -3.792 4.621) 11.254 4.344 ( 0.651 -2.461 0.728) 2.648 4.405 ( -2.267 -2.417 -0.734) 3.394 4.507 ( -1.740 0.433 3.839) 4.237 4.657 ( 0.985 3.093 -1.883) 3.753 4.688 ( -1.709 3.824 2.574) 4.917 5.037 ( -0.881 -2.483 2.779) 3.829 5.157 ( 0.384 -1.694 1.249) 2.139 5.244 ( -2.245 3.050 1.501) 4.074 5.412 ( -7.261 1.000 3.581) 8.158 5.688 ( -5.861 -2.395 1.203) 6.445 5.762 ( 10.978 2.728 -3.057) 11.718 6.055 ( 2.346 -3.823 -2.385) 5.080 6.122 ( 6.614 2.789 6.163) 9.461 6.191 ( -0.462 0.414 5.953) 5.985 6.403 ( -11.205 -6.804 -6.518) 14.640 6.744 ( 7.940 -4.886 -0.603) 9.342 6.994 ( 1.795 0.461 -9.644) 9.821 7.218 ( -2.110 12.973 -0.005) 13.143 7.244 ( 1.017 -1.826 2.661) 3.383 7.397 ( 8.253 5.720 13.564) 16.876 7.549 ( 7.026 5.474 -8.477) 12.296 7.799 ( 2.130 -14.243 4.149) 14.987 7.964 ( 3.912 -3.674 -11.862) 13.020 8.311 ( 2.946 11.935 5.500) 13.468 8.457 ( 1.021 -0.326 9.545) 9.605 8.549 ( 1.808 1.784 1.403) 2.902 8.813 ( 6.960 -1.740 3.262) 7.881 8.990 ( 6.634 -1.415 -11.003) 12.926 9.174 ( -6.701 2.510 3.918) 8.158 9.351 ( -0.070 -7.368 5.028) 8.920 9.509 ( -2.726 -2.759 5.157) 6.453 9.661 ( 7.865 -1.249 2.566) 8.366 9.794 ( -5.415 2.354 2.123) 6.275 9.969 ( -1.739 13.451 6.545) 15.060 10.430 ( 2.967 -9.167 -0.526) 9.650 10.721 ( -7.499 2.055 -3.002) 8.335 10.769 ( 2.154 -3.610 1.488) 4.459 10.991 ( -7.010 1.175 3.020) 7.723 11.113 ( 0.328 -2.244 -7.176) 7.526 11.243 ( -6.120 1.601 -4.527) 7.779 11.928 ( 5.761 -0.295 1.890) 6.071 11.993 ( 0.347 -0.137 3.306) 3.327 12.350 ( 10.337 3.542 -19.343) 22.216 12.603 ( -9.824 -3.172 3.436) 10.880 12.884 ( -3.279 0.074 -6.088) 6.915 13.558 ( 5.938 1.470 2.848) 6.747 15.722 ( -10.045 -1.881 -7.217) 12.511 16.103 ( -14.284 -2.412 -1.379) 14.552 16.324 ( 0.842 -0.275 -4.717) 4.800 16.764 ( -3.106 9.270 1.018) 9.830 16.909 ( -3.374 -7.376 0.490) 8.126 17.715 ( 4.111 3.845 5.454) 7.838 17.929 ( -2.345 -1.712 -2.188) 3.635 18.210 ( -1.270 1.962 2.957) 3.769 18.366 ( -1.362 -0.586 -1.342) 2.000 18.380 ( -3.705 -5.128 -6.779) 9.273 18.667 ( -0.235 0.851 1.682) 1.900 19.124 ( 2.718 -0.286 3.463) 4.411 ======================= Grid point 16 (12/65) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.503 ( -20.116 0.000 0.000) 20.116 0.779 ( -29.014 0.000 0.000) 29.014 1.235 ( -46.601 0.000 0.000) 46.601 3.259 ( 3.067 -0.000 -0.000) 3.067 3.491 ( -11.345 0.000 0.000) 11.345 3.503 ( 9.560 -0.000 -0.000) 9.560 3.621 ( 3.446 -0.000 -0.000) 3.446 4.157 ( -0.007 0.000 0.000) 0.007 4.341 ( -0.131 0.000 0.000) 0.131 4.403 ( 6.642 -0.000 -0.000) 6.642 4.525 ( 0.323 -0.000 -0.000) 0.323 4.625 ( -0.593 0.000 0.000) 0.593 4.750 ( -0.056 0.000 0.000) 0.056 4.997 ( -3.416 0.000 0.000) 3.416 5.149 ( -0.363 0.000 0.000) 0.363 5.207 ( -8.379 0.000 0.000) 8.379 5.322 ( -10.376 0.000 0.000) 10.376 5.567 ( -9.706 0.000 0.000) 9.706 5.774 ( -4.889 0.000 0.000) 4.889 6.117 ( 10.065 -0.000 -0.000) 10.065 6.210 ( 6.249 -0.000 -0.000) 6.249 6.257 ( -0.196 0.000 0.000) 0.196 6.340 ( 5.358 -0.000 -0.000) 5.358 6.849 ( 10.545 -0.000 -0.000) 10.545 6.944 ( 0.908 -0.000 -0.000) 0.908 7.214 ( -2.294 0.000 0.000) 2.294 7.288 ( -1.962 0.000 0.000) 1.962 7.582 ( 3.417 -0.000 -0.000) 3.417 7.630 ( 4.176 -0.000 -0.000) 4.176 7.714 ( -0.655 0.000 0.000) 0.655 7.997 ( 8.648 -0.000 -0.000) 8.648 8.425 ( -1.236 0.000 0.000) 1.236 8.480 ( 1.558 -0.000 -0.000) 1.558 8.671 ( 6.447 -0.000 -0.000) 6.447 8.932 ( 3.431 -0.000 -0.000) 3.431 8.971 ( 7.935 -0.000 -0.000) 7.935 9.126 ( -4.638 0.000 0.000) 4.638 9.317 ( -5.624 0.000 0.000) 5.624 9.515 ( -0.867 0.000 0.000) 0.867 9.720 ( -7.454 0.000 0.000) 7.454 9.802 ( 10.379 -0.000 -0.000) 10.379 10.133 ( 4.901 -0.000 -0.000) 4.901 10.414 ( 2.679 -0.000 -0.000) 2.679 10.604 ( -8.113 0.000 0.000) 8.113 10.784 ( 1.225 -0.000 -0.000) 1.225 10.917 ( -7.696 0.000 0.000) 7.696 11.071 ( 1.213 -0.000 -0.000) 1.213 11.158 ( -3.851 0.000 0.000) 3.851 11.949 ( -3.123 0.000 0.000) 3.123 12.022 ( 6.120 -0.000 -0.000) 6.120 12.355 ( 8.583 -0.000 -0.000) 8.583 12.474 ( -10.136 0.000 0.000) 10.136 12.781 ( -5.960 0.000 0.000) 5.960 13.651 ( 4.283 -0.000 -0.000) 4.283 15.533 ( -8.382 0.000 0.000) 8.382 15.900 ( -11.491 0.000 0.000) 11.491 16.292 ( -0.406 0.000 0.000) 0.406 16.727 ( -5.488 0.000 0.000) 5.488 16.911 ( 3.705 -0.000 -0.000) 3.705 17.811 ( 1.861 -0.000 -0.000) 1.861 17.865 ( -2.609 0.000 0.000) 2.609 18.224 ( -2.253 0.000 0.000) 2.253 18.245 ( -3.381 0.000 0.000) 3.381 18.350 ( -0.568 0.000 0.000) 0.568 18.680 ( 0.172 -0.000 -0.000) 0.172 19.180 ( 2.035 -0.000 -0.000) 2.035 ======================= Grid point 19 (13/65) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( -0.000 0.620 32.479) 32.485 1.787 ( -0.000 7.055 28.411) 29.274 2.847 ( 0.000 -5.713 -7.095) 9.109 3.339 ( -0.000 18.168 45.778) 49.252 3.481 ( 0.000 -4.258 -27.218) 27.549 3.555 ( -0.000 6.168 9.137) 11.025 4.036 ( 0.000 -9.946 2.580) 10.276 4.198 ( -0.000 -3.648 14.656) 15.103 4.292 ( 0.000 0.688 -7.646) 7.677 4.302 ( 0.000 3.988 -9.241) 10.065 4.353 ( -0.000 5.092 3.169) 5.998 4.375 ( 0.000 -2.575 -2.842) 3.835 4.398 ( -0.000 7.842 -0.558) 7.861 4.875 ( 0.000 4.502 -6.883) 8.224 4.986 ( 0.000 7.238 -6.848) 9.964 5.338 ( -0.000 7.087 -3.392) 7.857 5.398 ( -0.000 3.719 6.158) 7.194 5.656 ( -0.000 3.772 4.916) 6.196 5.817 ( 0.000 3.566 -10.465) 11.056 5.924 ( -0.000 -10.297 11.440) 15.391 6.189 ( 0.000 -8.863 2.634) 9.246 6.282 ( 0.000 -3.014 -0.623) 3.078 6.478 ( -0.000 -8.838 8.142) 12.017 6.685 ( 0.000 -2.684 -3.859) 4.701 6.961 ( 0.000 6.854 -10.768) 12.764 7.003 ( 0.000 -6.739 -11.527) 13.352 7.216 ( -0.000 3.173 3.200) 4.507 7.585 ( -0.000 -2.621 4.981) 5.628 7.632 ( 0.000 3.559 -8.847) 9.536 7.693 ( -0.000 1.690 9.159) 9.313 7.992 ( 0.000 -1.523 -19.877) 19.935 8.029 ( 0.000 6.173 -6.928) 9.279 8.427 ( 0.000 -7.457 2.597) 7.896 8.539 ( -0.000 -4.841 9.326) 10.508 8.751 ( 0.000 4.252 -8.937) 9.897 8.894 ( -0.000 -2.462 2.634) 3.605 9.048 ( 0.000 2.872 -12.161) 12.496 9.171 ( -0.000 0.270 3.555) 3.565 9.546 ( -0.000 12.549 -1.827) 12.681 9.560 ( 0.000 -14.975 4.624) 15.672 9.982 ( -0.000 -7.330 5.580) 9.212 10.063 ( -0.000 -3.936 2.807) 4.834 10.345 ( -0.000 2.371 0.983) 2.567 10.592 ( 0.000 -1.007 -4.289) 4.406 10.745 ( -0.000 8.563 5.558) 10.208 10.963 ( -0.000 10.280 2.040) 10.480 11.332 ( -0.000 -0.162 4.914) 4.916 11.480 ( -0.000 3.288 4.653) 5.698 11.795 ( 0.000 -7.656 -4.280) 8.771 11.949 ( 0.000 -2.922 -3.079) 4.245 12.181 ( 0.000 6.101 -8.837) 10.738 12.815 ( -0.000 1.978 5.898) 6.221 13.287 ( 0.000 -9.865 2.000) 10.065 13.378 ( 0.000 -2.244 -10.940) 11.168 16.026 ( -0.000 3.448 9.452) 10.061 16.080 ( -0.000 7.646 4.898) 9.080 16.784 ( -0.000 3.531 3.039) 4.659 16.811 ( -0.000 -6.297 11.060) 12.728 17.118 ( -0.000 -2.077 7.647) 7.924 17.715 ( 0.000 0.958 -4.237) 4.344 17.901 ( -0.000 0.648 2.581) 2.661 18.242 ( -0.000 -1.505 1.252) 1.958 18.285 ( -0.000 -3.115 2.192) 3.809 18.469 ( -0.000 1.053 3.986) 4.123 18.592 ( 0.000 3.029 -3.088) 4.326 18.908 ( 0.000 4.241 -4.937) 6.509 ======================= Grid point 20 (14/65) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( 4.575 6.047 30.015) 30.958 2.107 ( 0.269 3.180 19.200) 19.464 2.598 ( -18.913 -1.759 -2.102) 19.110 2.986 ( -22.665 -2.773 -19.410) 29.969 3.767 ( 13.287 4.055 -0.121) 13.893 3.924 ( -5.409 -8.468 -0.831) 10.083 3.966 ( 4.012 3.789 26.069) 26.647 4.149 ( 0.838 -0.229 -5.702) 5.768 4.222 ( 5.466 -0.594 -10.879) 12.190 4.288 ( 0.871 2.486 1.376) 2.972 4.408 ( 5.720 3.788 5.550) 8.824 4.544 ( 6.740 3.568 5.194) 9.227 4.569 ( -1.037 7.888 12.858) 15.121 4.819 ( 0.574 3.124 -6.879) 7.577 4.980 ( 1.529 4.326 -4.158) 6.192 5.237 ( -9.499 5.823 -0.538) 11.155 5.513 ( 0.421 1.346 -8.541) 8.657 5.760 ( 1.370 -0.035 9.781) 9.877 5.780 ( 1.045 6.075 3.024) 6.866 5.932 ( -2.481 -7.041 1.449) 7.604 6.145 ( -8.798 -5.185 -1.600) 10.336 6.224 ( 4.367 -6.164 9.425) 12.079 6.532 ( 3.328 -8.582 6.828) 11.461 6.664 ( 1.752 -2.522 -1.866) 3.594 6.788 ( 2.912 -1.416 -6.590) 7.343 6.995 ( 6.225 2.778 -9.106) 11.375 7.317 ( 4.691 3.610 2.157) 6.300 7.438 ( -9.557 0.536 -7.585) 12.213 7.609 ( -3.585 -1.610 -13.067) 13.645 7.662 ( -3.568 0.967 -6.652) 7.610 7.818 ( 5.004 -5.028 -0.324) 7.101 8.093 ( 3.057 8.527 -0.745) 9.089 8.379 ( -1.606 -0.293 -2.445) 2.940 8.589 ( -0.875 -5.704 1.238) 5.902 8.697 ( 4.814 -5.876 1.540) 7.750 8.891 ( -1.229 0.217 -6.115) 6.241 8.954 ( 4.089 3.705 -8.686) 10.290 9.234 ( -0.002 -0.690 7.620) 7.651 9.486 ( -4.452 -5.709 3.927) 8.236 9.655 ( 2.748 7.818 2.838) 8.760 9.908 ( -7.136 -7.362 3.197) 10.740 10.078 ( -1.411 0.001 2.807) 3.142 10.406 ( 4.293 -0.767 3.569) 5.635 10.543 ( 0.487 -2.532 -3.917) 4.689 10.887 ( 1.962 7.824 4.537) 9.255 11.057 ( -1.452 9.658 0.987) 9.816 11.345 ( 0.588 -1.424 -3.940) 4.230 11.543 ( 3.057 2.000 -0.209) 3.659 11.703 ( -1.701 -6.813 1.409) 7.162 11.885 ( -4.267 -0.690 1.124) 4.466 12.179 ( 5.098 4.058 -6.380) 9.119 12.889 ( -0.527 -1.029 6.020) 6.130 13.224 ( -1.429 -2.057 -8.832) 9.180 13.235 ( -0.650 -3.076 -1.967) 3.708 16.154 ( 0.630 4.667 6.897) 8.352 16.187 ( 0.425 6.251 1.914) 6.551 16.715 ( -10.917 -0.678 4.080) 11.674 17.022 ( 10.038 0.213 8.637) 13.244 17.114 ( -9.914 -2.560 9.679) 14.089 17.605 ( -9.506 0.602 -3.626) 10.192 17.983 ( 4.587 1.019 3.465) 5.838 18.158 ( -5.410 -0.373 -0.718) 5.470 18.367 ( 6.970 -3.857 -0.526) 7.983 18.515 ( -0.410 0.786 2.239) 2.408 18.621 ( 6.012 2.628 -2.122) 6.896 18.887 ( -0.767 2.625 -2.415) 3.648 ======================= Grid point 21 (15/65) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( -18.291 -4.004 -7.888) 20.318 2.280 ( 8.826 7.970 20.256) 23.489 2.431 ( -31.126 2.570 -4.416) 31.543 2.622 ( -0.886 6.068 19.575) 20.514 3.663 ( -13.343 -8.294 -7.098) 17.239 3.771 ( -6.075 -8.091 -9.895) 14.152 4.085 ( 10.679 -2.540 -5.090) 12.100 4.148 ( 5.873 -0.504 -11.005) 12.485 4.333 ( 1.070 4.787 4.953) 6.971 4.371 ( 4.623 7.245 5.186) 10.037 4.537 ( 1.042 -5.216 4.919) 7.245 4.676 ( 2.487 1.170 -0.290) 2.764 4.722 ( 0.073 5.244 6.895) 8.663 4.879 ( 4.496 5.413 7.136) 10.022 4.996 ( 0.221 3.460 -1.005) 3.610 5.186 ( -2.811 2.704 1.123) 4.058 5.413 ( -1.315 7.802 -8.113) 11.332 5.731 ( -7.440 -7.315 0.423) 10.442 5.853 ( -1.737 0.552 2.471) 3.070 5.871 ( -5.593 -5.917 2.177) 8.428 6.097 ( -1.640 5.302 9.864) 11.318 6.373 ( 7.236 -5.257 8.032) 12.021 6.560 ( -2.180 -8.557 7.626) 11.668 6.674 ( 5.901 -5.131 7.291) 10.692 6.882 ( 11.682 1.434 -9.367) 15.042 7.004 ( 7.924 6.049 -5.621) 11.444 7.192 ( -8.550 -3.612 -12.065) 15.222 7.316 ( -4.979 1.387 -15.057) 15.919 7.410 ( 2.506 2.267 -0.838) 3.482 7.657 ( 0.771 3.659 -2.103) 4.290 7.846 ( 6.755 -3.884 -0.758) 7.829 8.143 ( -0.597 -0.240 -2.824) 2.896 8.379 ( 0.917 8.978 -0.197) 9.027 8.530 ( 0.700 -7.821 2.739) 8.316 8.756 ( -1.215 -2.512 3.303) 4.324 8.802 ( 5.320 0.135 -11.790) 12.936 8.967 ( 6.775 -1.714 -2.144) 7.310 9.327 ( -0.663 0.674 8.797) 8.848 9.464 ( -1.174 -1.887 4.598) 5.107 9.764 ( -6.951 -3.794 6.423) 10.197 9.818 ( 1.068 8.066 -0.124) 8.137 10.067 ( -4.972 1.226 2.582) 5.735 10.466 ( -0.588 -5.692 -3.504) 6.710 10.521 ( 7.006 -2.448 4.372) 8.613 10.977 ( -1.436 6.165 -1.346) 6.472 11.095 ( -2.691 6.193 1.487) 6.914 11.242 ( -0.465 -3.526 -8.954) 9.635 11.538 ( -0.557 0.607 -6.768) 6.818 11.719 ( 2.204 -3.551 6.889) 8.058 11.881 ( -2.118 1.055 6.261) 6.693 12.204 ( 4.430 2.715 -6.455) 8.287 12.895 ( -4.117 -4.287 4.399) 7.394 13.074 ( -1.844 -0.680 -9.582) 9.781 13.262 ( 4.029 1.714 1.699) 4.696 16.193 ( -5.329 3.228 -1.876) 6.507 16.263 ( 0.842 3.303 3.530) 4.907 16.602 ( -10.045 1.524 1.695) 10.300 17.000 ( -13.961 -5.807 9.024) 17.609 17.295 ( 10.348 4.001 7.368) 13.318 17.411 ( -13.339 -0.956 -2.126) 13.541 18.053 ( -1.274 0.054 -1.059) 1.657 18.126 ( 1.361 2.129 3.222) 4.095 18.388 ( 2.562 -2.046 -1.896) 3.787 18.524 ( 0.348 -1.425 -0.841) 1.691 18.678 ( 3.742 0.971 -4.021) 5.578 18.908 ( 2.498 1.600 2.345) 3.781 ======================= Grid point 22 (16/65) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( -23.778 -3.367 -9.503) 25.827 1.957 ( -31.604 2.354 -0.780) 31.701 2.759 ( 11.029 11.783 18.807) 24.782 2.955 ( 5.684 6.091 19.102) 20.840 3.179 ( -36.673 -7.158 -8.891) 38.408 3.494 ( 3.538 -10.745 -15.893) 19.508 3.977 ( -4.204 -0.827 -12.807) 13.505 4.202 ( 8.737 -2.478 -2.585) 9.442 4.432 ( 2.057 5.492 -0.760) 5.914 4.479 ( -3.802 -4.830 3.329) 6.991 4.544 ( 4.177 1.224 4.220) 6.062 4.670 ( -1.510 0.863 -1.854) 2.542 4.758 ( -6.516 2.267 2.571) 7.363 4.990 ( 3.000 -0.270 -1.236) 3.256 5.091 ( 3.772 3.915 7.780) 9.491 5.215 ( 1.624 0.728 -0.182) 1.789 5.438 ( 5.665 6.062 -2.863) 8.777 5.572 ( -6.277 -4.543 -0.363) 7.757 5.788 ( -3.246 -2.800 1.887) 4.684 5.910 ( 4.415 0.970 2.891) 5.366 6.180 ( -7.285 3.980 6.989) 10.852 6.475 ( -13.167 -8.009 7.541) 17.157 6.497 ( 7.210 -4.096 0.663) 8.319 6.731 ( -6.050 -5.655 -5.968) 10.208 6.933 ( 8.166 2.384 0.613) 8.529 6.977 ( 6.075 -2.422 -3.742) 7.535 7.215 ( 11.044 8.592 -0.117) 13.993 7.222 ( 3.135 6.591 -4.266) 8.454 7.412 ( 1.647 1.889 -4.583) 5.224 7.662 ( 6.476 -6.202 -2.035) 9.195 7.877 ( 0.552 -2.531 -6.381) 6.887 8.128 ( 4.725 1.257 3.654) 6.104 8.494 ( 0.946 5.614 2.533) 6.231 8.552 ( 4.225 0.086 2.224) 4.775 8.695 ( -5.038 -2.559 1.193) 5.775 8.778 ( 7.935 0.249 -9.482) 12.367 9.088 ( 12.732 -3.877 2.018) 13.461 9.382 ( -4.935 1.125 4.693) 6.902 9.511 ( 1.008 -2.285 5.238) 5.803 9.669 ( -5.789 -1.808 1.353) 6.213 9.916 ( -3.837 7.717 1.892) 8.823 10.070 ( -0.725 4.966 4.713) 6.885 10.358 ( -0.720 -9.102 -3.926) 9.938 10.637 ( 6.444 -1.828 2.281) 7.076 10.927 ( -6.183 4.192 -3.192) 8.124 11.081 ( -0.199 -4.439 -4.043) 6.007 11.151 ( -3.017 3.055 -0.485) 4.321 11.432 ( -5.879 1.196 -4.282) 7.371 11.791 ( 4.139 -2.237 2.118) 5.159 11.977 ( 1.619 0.501 8.611) 8.776 12.178 ( 2.233 2.181 -9.889) 10.370 12.830 ( -6.477 -2.912 2.577) 7.554 12.961 ( -1.972 -0.041 -5.298) 5.653 13.376 ( 6.855 1.646 1.800) 7.276 16.049 ( -12.356 -0.031 -2.917) 12.696 16.304 ( -0.192 1.263 0.267) 1.305 16.497 ( -11.065 1.099 0.435) 11.128 16.874 ( -9.662 -0.636 4.170) 10.542 17.186 ( -14.421 -2.455 -0.806) 14.651 17.533 ( 9.470 2.727 4.971) 11.038 17.998 ( -2.812 -0.218 -1.660) 3.273 18.218 ( 1.245 2.979 4.420) 5.474 18.377 ( 0.517 -0.896 -1.575) 1.884 18.457 ( -1.596 -4.054 -5.143) 6.740 18.682 ( 0.004 1.310 -0.277) 1.339 19.002 ( 5.441 0.261 1.892) 5.767 ======================= Grid point 23 (17/65) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( -24.028 0.000 0.000) 24.028 1.571 ( -29.619 0.000 0.000) 29.619 2.496 ( -45.828 0.000 0.000) 45.828 3.097 ( 9.725 -0.000 -0.000) 9.725 3.207 ( 8.658 -0.000 -0.000) 8.658 3.412 ( 8.675 -0.000 -0.000) 8.675 3.783 ( -8.553 0.000 0.000) 8.553 4.252 ( 1.753 -0.000 -0.000) 1.753 4.361 ( -6.117 0.000 0.000) 6.117 4.470 ( -4.825 0.000 0.000) 4.825 4.587 ( -4.393 0.000 0.000) 4.393 4.645 ( -0.783 0.000 0.000) 0.783 4.720 ( 0.788 -0.000 -0.000) 0.788 5.028 ( 2.944 -0.000 -0.000) 2.944 5.175 ( -2.512 0.000 0.000) 2.512 5.239 ( 4.775 -0.000 -0.000) 4.775 5.507 ( -2.340 0.000 0.000) 2.340 5.582 ( 12.867 -0.000 -0.000) 12.867 5.755 ( -2.990 0.000 0.000) 2.990 6.001 ( 3.342 -0.000 -0.000) 3.342 6.160 ( -1.815 0.000 0.000) 1.815 6.263 ( -12.578 0.000 0.000) 12.578 6.529 ( -13.618 0.000 0.000) 13.618 6.586 ( 8.536 -0.000 -0.000) 8.536 6.929 ( 1.139 -0.000 -0.000) 1.139 7.152 ( 11.467 -0.000 -0.000) 11.467 7.291 ( -0.634 0.000 0.000) 0.634 7.430 ( 10.806 -0.000 -0.000) 10.806 7.440 ( 6.496 -0.000 -0.000) 6.496 7.733 ( 10.364 -0.000 -0.000) 10.364 7.752 ( -4.609 0.000 0.000) 4.609 8.289 ( 10.289 -0.000 -0.000) 10.289 8.519 ( -0.198 0.000 0.000) 0.198 8.587 ( -5.130 0.000 0.000) 5.130 8.734 ( 10.156 -0.000 -0.000) 10.156 8.804 ( 5.791 -0.000 -0.000) 5.791 9.256 ( 11.223 -0.000 -0.000) 11.223 9.317 ( -8.040 0.000 0.000) 8.040 9.535 ( -0.486 0.000 0.000) 0.486 9.631 ( -0.500 0.000 0.000) 0.500 9.884 ( -4.681 0.000 0.000) 4.681 10.168 ( -7.173 0.000 0.000) 7.173 10.266 ( 8.163 -0.000 -0.000) 8.163 10.714 ( 4.357 -0.000 -0.000) 4.357 10.826 ( -8.094 0.000 0.000) 8.094 11.037 ( 1.117 -0.000 -0.000) 1.117 11.112 ( -5.301 0.000 0.000) 5.301 11.318 ( -7.555 0.000 0.000) 7.555 11.857 ( 5.357 -0.000 -0.000) 5.357 12.058 ( -3.963 0.000 0.000) 3.963 12.136 ( 7.260 -0.000 -0.000) 7.260 12.734 ( -8.399 0.000 0.000) 8.399 12.900 ( -2.884 0.000 0.000) 2.884 13.490 ( 7.129 -0.000 -0.000) 7.129 15.844 ( -13.803 0.000 0.000) 13.803 16.302 ( -0.453 0.000 0.000) 0.453 16.305 ( -16.474 0.000 0.000) 16.474 16.841 ( -0.414 0.000 0.000) 0.414 16.979 ( -12.941 0.000 0.000) 12.941 17.690 ( 7.286 -0.000 -0.000) 7.286 17.945 ( -3.115 0.000 0.000) 3.115 18.282 ( -0.768 0.000 0.000) 0.768 18.333 ( -2.272 0.000 0.000) 2.272 18.376 ( -1.762 0.000 0.000) 1.762 18.685 ( -0.496 0.000 0.000) 0.496 19.086 ( 4.966 -0.000 -0.000) 4.966 ======================= Grid point 28 (18/65) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( -0.000 9.380 29.109) 30.583 2.210 ( 0.000 -4.942 -0.318) 4.952 2.718 ( -0.000 1.675 1.960) 2.579 3.012 ( 0.000 0.900 -5.399) 5.473 3.586 ( 0.000 -3.456 -8.387) 9.072 3.858 ( 0.000 -5.421 -14.188) 15.189 4.021 ( 0.000 -0.704 -12.715) 12.735 4.040 ( -0.000 -1.951 11.943) 12.101 4.304 ( -0.000 7.007 7.162) 10.020 4.308 ( -0.000 4.466 -1.316) 4.655 4.553 ( -0.000 -5.126 4.326) 6.707 4.557 ( -0.000 6.709 10.281) 12.277 4.724 ( -0.000 0.900 4.557) 4.645 4.850 ( -0.000 9.497 12.233) 15.487 4.974 ( -0.000 2.480 0.232) 2.491 5.323 ( 0.000 0.401 -2.372) 2.406 5.438 ( 0.000 3.097 -7.739) 8.336 5.839 ( -0.000 6.411 -0.587) 6.437 5.914 ( -0.000 0.302 16.108) 16.111 5.914 ( 0.000 -4.337 0.091) 4.338 6.160 ( -0.000 1.278 -0.664) 1.440 6.212 ( -0.000 -9.324 7.143) 11.746 6.530 ( -0.000 -6.587 8.240) 10.549 6.613 ( 0.000 -0.450 -0.284) 0.532 6.685 ( 0.000 -8.216 -4.211) 9.233 6.870 ( 0.000 4.650 -7.572) 8.885 7.354 ( -0.000 3.964 1.492) 4.236 7.365 ( 0.000 5.208 -19.125) 19.821 7.449 ( 0.000 -6.249 -14.869) 16.129 7.582 ( 0.000 -9.767 -3.841) 10.495 7.797 ( -0.000 5.241 2.617) 5.858 8.129 ( -0.000 8.116 -0.183) 8.118 8.342 ( 0.000 5.552 -9.765) 11.233 8.584 ( 0.000 -14.210 6.975) 15.830 8.632 ( -0.000 -4.644 4.552) 6.503 8.742 ( 0.000 0.328 -14.224) 14.228 8.965 ( -0.000 4.168 0.552) 4.204 9.326 ( -0.000 -1.485 10.215) 10.323 9.537 ( -0.000 -5.388 4.736) 7.174 9.692 ( -0.000 9.055 -1.069) 9.118 9.952 ( 0.000 -3.395 1.251) 3.618 10.099 ( -0.000 -2.623 5.018) 5.662 10.401 ( -0.000 -1.455 1.903) 2.396 10.503 ( 0.000 -0.080 -2.551) 2.552 10.980 ( -0.000 7.342 2.563) 7.776 11.137 ( -0.000 8.698 -4.334) 9.718 11.261 ( 0.000 -5.112 -2.937) 5.895 11.498 ( 0.000 1.022 -4.180) 4.303 11.702 ( -0.000 -5.213 4.248) 6.725 11.942 ( -0.000 0.544 2.848) 2.900 12.134 ( -0.000 2.570 -0.479) 2.614 12.940 ( -0.000 -2.247 4.327) 4.876 13.099 ( 0.000 -0.821 -10.644) 10.676 13.213 ( 0.000 -0.431 -0.630) 0.763 16.248 ( -0.000 4.048 4.279) 5.890 16.252 ( -0.000 4.681 1.425) 4.893 16.925 ( -0.000 4.202 3.326) 5.359 16.961 ( -0.000 -2.589 7.427) 7.865 17.256 ( -0.000 -4.074 8.125) 9.089 17.653 ( 0.000 2.444 -3.470) 4.245 18.005 ( -0.000 0.936 5.660) 5.737 18.225 ( 0.000 -1.532 -0.404) 1.584 18.241 ( 0.000 -3.550 -0.333) 3.566 18.542 ( 0.000 2.533 -6.200) 6.698 18.563 ( -0.000 0.678 2.773) 2.854 18.894 ( -0.000 1.961 -0.614) 2.055 ======================= Grid point 29 (19/65) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( -11.613 -4.338 -8.081) 14.799 2.524 ( 0.770 9.354 20.213) 22.286 2.690 ( -10.465 2.480 -0.189) 10.757 2.934 ( -8.955 3.623 12.504) 15.801 3.425 ( 2.015 -11.119 -16.903) 20.332 3.827 ( 15.077 -0.469 -4.379) 15.707 3.932 ( 5.514 -0.806 -9.608) 11.107 4.015 ( -20.519 -1.206 6.195) 21.468 4.357 ( 1.368 6.329 -1.688) 6.692 4.420 ( 3.797 4.327 3.408) 6.690 4.528 ( -0.373 -6.624 1.246) 6.751 4.561 ( 4.715 -2.233 -5.673) 7.708 4.868 ( -1.791 5.437 7.783) 9.662 4.994 ( -1.603 1.839 2.611) 3.574 5.070 ( 0.215 4.092 10.984) 11.723 5.262 ( -4.592 -0.141 -0.171) 4.597 5.383 ( 1.125 3.232 -6.189) 7.072 5.801 ( -7.412 -2.601 -0.681) 7.884 5.854 ( -1.995 -1.754 -1.185) 2.909 5.967 ( -6.396 -2.034 3.279) 7.470 6.265 ( 7.759 -5.191 3.325) 9.910 6.311 ( -0.603 8.192 14.063) 16.287 6.597 ( 4.159 -3.126 3.425) 6.229 6.657 ( 4.986 -1.389 2.159) 5.608 6.682 ( 7.431 -2.698 3.746) 8.748 6.844 ( 6.862 2.480 -7.204) 10.253 7.164 ( -10.249 -1.800 -12.150) 15.997 7.203 ( -1.807 1.523 -11.997) 12.227 7.372 ( 2.567 -2.580 -4.691) 5.937 7.502 ( 5.747 -5.466 -3.908) 8.842 7.899 ( -2.124 9.434 5.375) 11.063 8.148 ( -3.518 -0.263 -2.020) 4.065 8.318 ( 7.524 4.177 -5.586) 10.260 8.536 ( -2.346 -6.580 2.731) 7.501 8.613 ( 3.743 -2.215 -5.232) 6.804 8.731 ( 6.656 -1.852 1.876) 7.159 8.959 ( -4.527 1.226 -0.060) 4.690 9.429 ( -0.145 -0.091 8.092) 8.094 9.517 ( -1.903 -1.089 1.747) 2.803 9.800 ( 6.225 3.821 -0.819) 7.350 9.897 ( -5.641 -0.178 2.917) 6.353 10.120 ( -2.196 -1.150 1.044) 2.689 10.434 ( 1.177 -1.560 1.096) 2.240 10.469 ( 1.295 -1.181 -0.449) 1.809 11.024 ( -1.092 9.209 -6.015) 11.054 11.080 ( -0.058 -6.404 -2.223) 6.779 11.240 ( -3.179 2.212 2.068) 4.391 11.478 ( 1.662 0.895 -3.276) 3.781 11.716 ( 1.291 -3.051 2.360) 4.068 11.968 ( -0.976 0.697 3.089) 3.313 12.162 ( 0.046 1.221 0.549) 1.339 12.943 ( -1.923 -2.516 1.928) 3.707 12.991 ( -0.419 -0.254 -6.633) 6.651 13.234 ( 2.950 1.299 0.247) 3.233 16.268 ( -3.242 2.380 -0.031) 4.022 16.308 ( -0.050 1.993 1.746) 2.650 16.800 ( -13.816 0.979 2.176) 14.021 17.168 ( 4.389 -1.627 4.638) 6.589 17.257 ( -0.523 -0.451 4.130) 4.187 17.563 ( -10.396 0.940 -1.328) 10.523 18.078 ( -2.022 0.235 2.049) 2.888 18.156 ( 0.483 1.132 1.590) 2.011 18.300 ( 5.961 -2.867 -0.393) 6.627 18.485 ( -0.593 0.533 -4.778) 4.844 18.616 ( 3.379 0.664 0.538) 3.485 18.909 ( 1.036 0.967 0.442) 1.484 ======================= Grid point 30 (20/65) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( -20.356 0.000 0.000) 20.356 2.341 ( -25.673 0.000 0.000) 25.673 2.858 ( 6.210 -0.000 -0.000) 6.210 3.036 ( 3.360 -0.000 -0.000) 3.360 3.249 ( 2.988 -0.000 -0.000) 2.988 3.629 ( -36.016 0.000 0.000) 36.016 3.921 ( 1.012 -0.000 -0.000) 1.012 4.018 ( 14.538 -0.000 -0.000) 14.538 4.391 ( 3.635 -0.000 -0.000) 3.635 4.495 ( -1.650 0.000 0.000) 1.650 4.556 ( 4.479 -0.000 -0.000) 4.479 4.586 ( 7.330 -0.000 -0.000) 7.330 4.883 ( -4.886 0.000 0.000) 4.886 4.981 ( -2.396 0.000 0.000) 2.396 5.140 ( -0.656 0.000 0.000) 0.656 5.217 ( -2.064 0.000 0.000) 2.064 5.392 ( 2.662 -0.000 -0.000) 2.662 5.660 ( -9.511 0.000 0.000) 9.511 5.809 ( -1.704 0.000 0.000) 1.704 5.912 ( -2.099 0.000 0.000) 2.099 6.373 ( 8.259 -0.000 -0.000) 8.259 6.401 ( -9.903 0.000 0.000) 9.903 6.548 ( 0.231 -0.000 -0.000) 0.231 6.779 ( -0.916 0.000 0.000) 0.916 6.829 ( 9.921 -0.000 -0.000) 9.921 6.917 ( -6.762 0.000 0.000) 6.762 7.026 ( 18.389 -0.000 -0.000) 18.389 7.158 ( 5.149 -0.000 -0.000) 5.149 7.337 ( 1.477 -0.000 -0.000) 1.477 7.540 ( 4.831 -0.000 -0.000) 4.831 7.920 ( -6.425 0.000 0.000) 6.425 8.095 ( 1.819 -0.000 -0.000) 1.819 8.442 ( 10.694 -0.000 -0.000) 10.694 8.506 ( -0.028 0.000 0.000) 0.028 8.641 ( 5.244 -0.000 -0.000) 5.244 8.789 ( -3.391 0.000 0.000) 3.391 8.936 ( 6.063 -0.000 -0.000) 6.063 9.462 ( -1.911 0.000 0.000) 1.911 9.526 ( 0.690 -0.000 -0.000) 0.690 9.757 ( -7.499 0.000 0.000) 7.499 10.000 ( 10.268 -0.000 -0.000) 10.268 10.048 ( -6.326 0.000 0.000) 6.326 10.370 ( -6.277 0.000 0.000) 6.277 10.551 ( 7.191 -0.000 -0.000) 7.191 11.010 ( -4.807 0.000 0.000) 4.807 11.012 ( 0.754 -0.000 -0.000) 0.754 11.219 ( -3.464 0.000 0.000) 3.464 11.467 ( -1.672 0.000 0.000) 1.672 11.744 ( 2.816 -0.000 -0.000) 2.816 12.000 ( 2.065 -0.000 -0.000) 2.065 12.148 ( -2.437 0.000 0.000) 2.437 12.903 ( -4.025 0.000 0.000) 4.025 12.945 ( -0.694 0.000 0.000) 0.694 13.304 ( 5.814 -0.000 -0.000) 5.814 16.190 ( -9.353 0.000 0.000) 9.353 16.318 ( -0.637 0.000 0.000) 0.637 16.651 ( -10.679 0.000 0.000) 10.679 17.056 ( -13.639 0.000 0.000) 13.639 17.380 ( -15.148 0.000 0.000) 15.148 17.421 ( 12.255 -0.000 -0.000) 12.255 18.031 ( -3.481 0.000 0.000) 3.481 18.234 ( 3.853 -0.000 -0.000) 3.853 18.339 ( 2.306 -0.000 -0.000) 2.306 18.436 ( -1.952 0.000 0.000) 1.952 18.666 ( 2.801 -0.000 -0.000) 2.801 18.949 ( 3.722 -0.000 -0.000) 3.722 ======================= Grid point 38 (21/65) ======================= q-point: (-0.50 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( 0.000 -0.000 -0.000) 0.000 2.741 ( -0.000 0.000 0.000) 0.000 2.760 ( 0.000 -0.000 -0.000) 0.000 3.101 ( 0.000 -0.000 -0.000) 0.000 3.220 ( 0.000 -0.000 -0.000) 0.000 3.664 ( 0.000 -0.000 -0.000) 0.000 3.830 ( 0.000 -0.000 -0.000) 0.000 4.262 ( 0.000 -0.000 -0.000) 0.000 4.337 ( -0.000 0.000 0.000) 0.000 4.436 ( 0.000 -0.000 -0.000) 0.000 4.448 ( 0.000 -0.000 -0.000) 0.000 4.509 ( 0.000 -0.000 -0.000) 0.000 4.961 ( 0.000 -0.000 -0.000) 0.000 5.023 ( 0.000 -0.000 -0.000) 0.000 5.167 ( 0.000 -0.000 -0.000) 0.000 5.288 ( 0.000 -0.000 -0.000) 0.000 5.336 ( 0.000 -0.000 -0.000) 0.000 5.842 ( 0.000 -0.000 -0.000) 0.000 5.857 ( -0.000 0.000 0.000) 0.000 6.040 ( 0.000 -0.000 -0.000) 0.000 6.197 ( 0.000 -0.000 -0.000) 0.000 6.489 ( 0.000 -0.000 -0.000) 0.000 6.548 ( 0.000 -0.000 -0.000) 0.000 6.629 ( 0.000 -0.000 -0.000) 0.000 6.632 ( 0.000 -0.000 -0.000) 0.000 6.727 ( -0.000 0.000 0.000) 0.000 7.158 ( 0.000 -0.000 -0.000) 0.000 7.199 ( 0.000 -0.000 -0.000) 0.000 7.234 ( 0.000 -0.000 -0.000) 0.000 7.442 ( 0.000 -0.000 -0.000) 0.000 8.024 ( 0.000 -0.000 -0.000) 0.000 8.167 ( 0.000 -0.000 -0.000) 0.000 8.212 ( 0.000 -0.000 -0.000) 0.000 8.501 ( 0.000 -0.000 -0.000) 0.000 8.585 ( 0.000 -0.000 -0.000) 0.000 8.679 ( 0.000 -0.000 -0.000) 0.000 9.003 ( 0.000 -0.000 -0.000) 0.000 9.502 ( 0.000 -0.000 -0.000) 0.000 9.515 ( 0.000 -0.000 -0.000) 0.000 9.756 ( 0.000 -0.000 -0.000) 0.000 9.951 ( 0.000 -0.000 -0.000) 0.000 10.146 ( 0.000 -0.000 -0.000) 0.000 10.413 ( 0.000 -0.000 -0.000) 0.000 10.462 ( 0.000 -0.000 -0.000) 0.000 11.000 ( 0.000 -0.000 -0.000) 0.000 11.071 ( 0.000 -0.000 -0.000) 0.000 11.292 ( 0.000 -0.000 -0.000) 0.000 11.447 ( 0.000 -0.000 -0.000) 0.000 11.706 ( 0.000 -0.000 -0.000) 0.000 11.991 ( 0.000 -0.000 -0.000) 0.000 12.182 ( 0.000 -0.000 -0.000) 0.000 12.952 ( 0.000 -0.000 -0.000) 0.000 12.956 ( 0.000 -0.000 -0.000) 0.000 13.219 ( 0.000 -0.000 -0.000) 0.000 16.300 ( 0.000 -0.000 -0.000) 0.000 16.328 ( 0.000 -0.000 -0.000) 0.000 17.007 ( -0.000 0.000 0.000) 0.000 17.028 ( 0.000 -0.000 -0.000) 0.000 17.320 ( 0.000 -0.000 -0.000) 0.000 17.635 ( 0.000 -0.000 -0.000) 0.000 18.151 ( 0.000 -0.000 -0.000) 0.000 18.159 ( -0.000 0.000 0.000) 0.000 18.202 ( 0.000 -0.000 -0.000) 0.000 18.463 ( 0.000 -0.000 -0.000) 0.000 18.601 ( 0.000 -0.000 -0.000) 0.000 18.908 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 76 (22/65) ======================= q-point: ( 0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( -0.000 0.000 36.073) 36.073 1.230 ( -0.000 0.000 36.073) 36.073 2.287 ( -0.000 0.000 63.584) 63.584 3.195 ( 0.000 0.000 -0.838) 0.838 3.195 ( 0.000 0.000 -0.838) 0.838 3.906 ( 0.000 -0.000 -24.070) 24.070 3.987 ( -0.000 0.000 16.405) 16.405 3.987 ( -0.000 0.000 16.405) 16.405 4.318 ( 0.000 -0.000 -0.508) 0.508 4.318 ( -0.000 0.000 -0.508) 0.508 4.369 ( 0.000 -0.000 -13.394) 13.394 4.401 ( 0.000 -0.000 -9.715) 9.715 4.713 ( 0.000 -0.000 -7.815) 7.815 4.713 ( 0.000 -0.000 -7.815) 7.815 4.870 ( 0.000 -0.000 -2.259) 2.259 5.175 ( 0.000 -0.000 0.225) 0.225 5.175 ( 0.000 0.000 0.225) 0.225 5.493 ( -0.000 0.000 6.818) 6.818 5.942 ( 0.000 -0.000 -12.383) 12.383 6.038 ( -0.000 0.000 9.959) 9.959 6.376 ( -0.000 0.000 1.755) 1.755 6.376 ( -0.000 0.000 1.755) 1.755 6.631 ( -0.000 0.000 10.770) 10.770 6.811 ( 0.000 -0.000 -10.408) 10.408 6.811 ( 0.000 -0.000 -10.408) 10.408 7.107 ( 0.000 -0.000 -3.649) 3.649 7.107 ( 0.000 -0.000 -3.649) 3.649 7.494 ( -0.000 0.000 19.938) 19.938 7.704 ( 0.000 -0.000 -6.550) 6.550 7.704 ( 0.000 -0.000 -6.550) 6.550 7.706 ( -0.000 0.000 5.859) 5.859 8.515 ( 0.000 -0.000 -13.169) 13.169 8.515 ( 0.000 -0.000 -13.169) 13.169 8.536 ( -0.000 0.000 6.495) 6.495 8.536 ( -0.000 0.000 6.495) 6.495 8.990 ( -0.000 0.000 4.108) 4.108 9.102 ( 0.000 -0.000 -11.352) 11.352 9.221 ( 0.000 -0.000 1.896) 1.896 9.221 ( -0.000 0.000 1.896) 1.896 9.965 ( 0.000 -0.000 -0.187) 0.187 9.965 ( 0.000 0.000 -0.187) 0.187 10.035 ( -0.000 0.000 15.871) 15.871 10.418 ( 0.000 0.000 1.288) 1.288 10.418 ( -0.000 0.000 1.288) 1.288 10.700 ( 0.000 -0.000 -3.952) 3.952 10.700 ( 0.000 -0.000 -3.952) 3.952 11.303 ( -0.000 0.000 8.539) 8.539 11.303 ( -0.000 0.000 8.539) 8.539 12.063 ( 0.000 -0.000 -6.076) 6.076 12.063 ( 0.000 -0.000 -6.076) 6.076 12.088 ( 0.000 -0.000 -7.329) 7.329 12.681 ( -0.000 0.000 4.564) 4.564 13.540 ( 0.000 -0.000 -9.790) 9.790 13.581 ( 0.000 -0.000 -5.680) 5.680 15.888 ( -0.000 0.000 7.665) 7.665 15.888 ( -0.000 0.000 7.665) 7.665 16.695 ( -0.000 0.000 2.200) 2.200 17.025 ( -0.000 0.000 4.285) 4.285 17.025 ( -0.000 0.000 4.285) 4.285 17.805 ( 0.000 -0.000 -0.923) 0.923 17.805 ( 0.000 -0.000 -0.923) 0.923 18.304 ( -0.000 0.000 5.420) 5.420 18.304 ( -0.000 0.000 5.420) 5.420 18.404 ( -0.000 0.000 3.304) 3.304 18.579 ( 0.000 -0.000 -4.909) 4.909 18.754 ( 0.000 -0.000 -2.989) 2.989 ======================= Grid point 77 (23/65) ======================= q-point: ( 0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( -1.314 -0.758 35.613) 35.645 1.591 ( -5.227 -3.018 36.046) 36.548 2.836 ( -15.846 -9.149 9.577) 20.652 3.192 ( 11.630 6.715 41.114) 43.252 3.365 ( -3.845 -2.220 -5.183) 6.825 3.591 ( 5.262 3.038 -15.652) 16.790 4.167 ( -1.489 -0.860 10.631) 10.769 4.171 ( -0.158 -0.091 7.430) 7.433 4.206 ( -3.618 -2.089 -1.029) 4.302 4.258 ( 5.483 3.166 -4.448) 7.737 4.320 ( 3.418 1.974 -7.664) 8.620 4.353 ( 2.543 1.468 -2.707) 3.993 4.615 ( 3.218 1.858 -9.072) 9.804 4.731 ( 0.101 0.058 -5.114) 5.115 4.828 ( 2.681 1.548 -0.740) 3.183 5.090 ( -2.140 -1.235 -2.604) 3.590 5.423 ( 16.461 9.504 1.951) 19.107 5.610 ( 2.257 1.303 9.533) 9.883 5.773 ( -4.279 -2.471 -12.388) 13.337 6.138 ( -1.481 -0.855 12.357) 12.475 6.303 ( -8.641 -4.989 -1.930) 10.163 6.326 ( -7.188 -4.150 1.893) 8.513 6.622 ( -4.871 -2.813 6.907) 8.908 6.667 ( 0.897 0.518 -3.612) 3.758 6.885 ( 6.412 3.702 -8.844) 11.534 7.008 ( -1.401 -0.809 -6.617) 6.812 7.223 ( 12.026 6.943 -3.667) 14.363 7.527 ( -6.455 -3.727 -3.593) 8.274 7.613 ( 0.507 0.293 -15.589) 15.600 7.694 ( -0.857 -0.495 15.975) 16.005 7.851 ( 6.365 3.675 4.664) 8.704 8.163 ( -9.080 -5.242 -17.057) 20.021 8.481 ( 1.935 1.117 -11.687) 11.898 8.624 ( 4.333 2.501 0.777) 5.063 8.629 ( -0.525 -0.303 9.024) 9.044 8.996 ( 2.520 1.455 -10.364) 10.765 9.040 ( -1.881 -1.086 7.843) 8.138 9.169 ( -1.306 -0.754 -1.825) 2.367 9.315 ( 3.160 1.825 0.697) 3.715 9.850 ( -6.043 -3.489 -0.004) 6.978 10.001 ( -3.423 -1.977 3.884) 5.542 10.089 ( -9.037 -5.217 7.689) 12.962 10.399 ( 0.931 0.538 2.992) 3.179 10.580 ( 7.885 4.553 4.584) 10.194 10.696 ( 1.934 1.117 -4.185) 4.744 10.709 ( 6.996 4.039 -1.852) 8.288 11.362 ( -0.852 -0.492 5.410) 5.499 11.426 ( 2.062 1.190 7.076) 7.466 11.926 ( -4.813 -2.779 -4.869) 7.389 11.946 ( -3.846 -2.220 -4.722) 6.482 12.118 ( 6.846 3.952 -6.623) 10.313 12.765 ( 2.770 1.599 5.351) 6.234 13.404 ( -1.380 -0.797 -11.963) 12.069 13.438 ( -7.231 -4.175 -4.062) 9.286 15.974 ( 0.265 0.153 9.261) 9.266 16.016 ( 3.189 1.841 7.036) 7.941 16.723 ( -1.238 -0.715 2.310) 2.717 17.007 ( -3.262 -1.883 6.433) 7.455 17.063 ( -7.117 -4.109 12.588) 15.033 17.694 ( -6.258 -3.613 -2.888) 7.782 17.891 ( 5.217 3.012 1.148) 6.132 18.214 ( -7.692 -4.441 2.515) 9.231 18.435 ( 1.117 0.645 4.135) 4.331 18.495 ( 6.762 3.904 6.496) 10.156 18.531 ( 0.162 0.093 -5.199) 5.203 18.786 ( 6.073 3.506 -6.680) 9.685 ======================= Grid point 78 (24/65) ======================= q-point: ( 0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( -2.109 -1.218 33.828) 33.915 1.971 ( -0.340 -0.196 33.942) 33.944 2.455 ( -22.055 -12.733 -5.557) 26.066 2.869 ( -21.558 -12.447 -18.173) 30.821 3.791 ( 6.785 3.917 2.527) 8.232 3.885 ( 7.812 4.510 33.972) 35.149 4.046 ( -2.645 -1.527 -7.327) 7.938 4.182 ( 8.784 5.071 -8.215) 13.052 4.203 ( 2.351 1.357 -7.668) 8.134 4.375 ( 0.943 0.544 1.901) 2.191 4.411 ( 3.467 2.002 6.776) 7.870 4.440 ( 3.116 1.799 11.748) 12.286 4.623 ( 7.006 4.045 -6.047) 10.100 4.665 ( -0.544 -0.314 0.116) 0.639 4.903 ( 6.434 3.715 -3.573) 8.244 5.054 ( 1.734 1.001 -2.428) 3.147 5.505 ( -7.365 -4.252 -14.045) 16.419 5.709 ( 9.930 5.733 4.545) 12.334 5.772 ( 2.977 1.719 9.420) 10.028 6.090 ( -15.211 -8.782 3.766) 17.963 6.112 ( -9.852 -5.688 -0.828) 11.406 6.329 ( 3.349 1.933 8.361) 9.212 6.683 ( 2.421 1.398 0.006) 2.796 6.691 ( 2.185 1.262 7.019) 7.459 6.870 ( 3.178 1.835 -6.378) 7.358 6.940 ( 2.316 1.337 -6.629) 7.148 7.372 ( 6.899 3.983 -2.100) 8.238 7.406 ( -1.951 -1.126 -2.067) 3.057 7.408 ( 0.468 0.270 -19.865) 19.873 7.675 ( -11.370 -6.564 -10.461) 16.787 7.960 ( 1.275 0.736 3.714) 3.995 8.029 ( 6.263 3.616 6.192) 9.521 8.338 ( -0.066 -0.038 -15.100) 15.100 8.689 ( -2.720 -1.570 5.026) 5.927 8.690 ( 1.634 0.943 0.686) 2.008 8.921 ( 4.086 2.359 -14.265) 15.025 9.099 ( -2.771 -1.600 11.122) 11.573 9.166 ( 3.297 1.904 -1.142) 3.975 9.360 ( 1.691 0.976 0.711) 2.077 9.781 ( -3.388 -1.956 3.684) 5.373 9.928 ( -9.504 -5.487 2.574) 11.272 9.988 ( -7.880 -4.550 6.289) 11.061 10.495 ( 4.641 2.679 4.152) 6.779 10.668 ( 0.345 0.199 -4.405) 4.423 10.777 ( 7.152 4.129 5.228) 9.774 10.822 ( 6.491 3.747 -3.139) 8.126 11.367 ( -1.002 -0.579 -2.294) 2.569 11.545 ( 4.252 2.455 3.231) 5.877 11.786 ( -6.758 -3.902 -0.355) 7.812 11.855 ( -3.053 -1.763 0.443) 3.553 12.171 ( 6.574 3.796 -6.000) 9.676 12.879 ( 2.108 1.217 5.646) 6.148 13.233 ( -2.150 -1.241 -12.286) 12.534 13.285 ( -4.924 -2.843 -1.858) 5.982 16.102 ( 2.161 1.248 9.132) 9.466 16.122 ( 1.324 0.764 3.339) 3.673 16.654 ( -7.712 -4.452 0.544) 8.921 17.064 ( -11.253 -6.497 15.976) 20.593 17.112 ( 4.180 2.413 10.116) 11.208 17.519 ( -8.396 -4.847 -4.296) 10.604 18.004 ( 4.470 2.581 2.894) 5.917 18.114 ( -4.327 -2.498 -1.055) 5.106 18.471 ( -0.352 -0.203 -4.890) 4.907 18.499 ( 1.376 0.794 3.934) 4.243 18.708 ( 7.946 4.587 6.203) 11.075 18.778 ( 2.590 1.495 -8.846) 9.338 ======================= Grid point 79 (25/65) ======================= q-point: (-0.50 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( -25.105 -14.494 -1.859) 29.048 2.101 ( -22.033 -12.721 0.778) 25.453 2.327 ( 6.282 3.627 24.714) 25.756 2.536 ( -0.392 -0.226 19.987) 19.992 3.620 ( -19.544 -11.284 -6.471) 23.477 3.927 ( -2.655 -1.533 -12.891) 13.250 4.087 ( 0.935 0.540 -3.796) 3.946 4.262 ( 10.077 5.818 -2.701) 11.945 4.279 ( 5.968 3.446 -4.671) 8.326 4.408 ( -3.664 -2.115 7.597) 8.695 4.514 ( 3.024 1.746 0.371) 3.511 4.611 ( 0.668 0.385 8.539) 8.573 4.692 ( 4.336 2.504 -2.534) 5.612 4.800 ( 6.891 3.979 11.885) 14.303 4.973 ( 4.575 2.642 -1.492) 5.490 5.107 ( 4.638 2.678 0.060) 5.356 5.293 ( 2.658 1.535 -10.726) 11.157 5.820 ( -8.374 -4.835 1.683) 9.815 5.855 ( -4.685 -2.705 5.922) 8.020 5.896 ( -3.676 -2.123 4.534) 6.211 6.001 ( -1.272 -0.734 3.315) 3.625 6.494 ( 0.542 0.313 12.825) 12.840 6.697 ( -6.851 -3.955 3.583) 8.684 6.765 ( 5.995 3.461 1.118) 7.012 6.935 ( 3.350 1.934 -2.924) 4.849 6.955 ( 10.826 6.250 -6.578) 14.126 7.249 ( 6.167 3.561 -19.332) 20.602 7.263 ( -13.393 -7.733 -15.799) 22.109 7.349 ( -3.569 -2.060 3.272) 5.261 7.523 ( 12.464 7.196 -2.307) 14.576 8.077 ( 1.239 0.715 8.163) 8.287 8.147 ( 2.379 1.373 -13.871) 14.140 8.225 ( 3.137 1.811 5.272) 6.397 8.630 ( -5.292 -3.055 -1.039) 6.198 8.702 ( -2.028 -1.171 3.449) 4.169 8.850 ( 6.754 3.899 -14.526) 16.487 9.206 ( -1.773 -1.024 14.132) 14.279 9.255 ( 7.940 4.584 -1.641) 9.314 9.413 ( 3.297 1.903 1.588) 4.125 9.749 ( -10.279 -5.935 -1.138) 11.924 9.798 ( -1.410 -0.814 5.559) 5.793 9.947 ( -6.846 -3.953 8.781) 11.815 10.616 ( -1.058 -0.611 -3.127) 3.357 10.629 ( 4.950 2.858 3.060) 6.483 10.844 ( 2.057 1.188 -6.276) 6.710 10.938 ( 4.179 2.413 4.828) 6.826 11.282 ( -1.638 -0.946 -7.381) 7.620 11.528 ( -3.323 -1.918 -8.462) 9.291 11.799 ( 0.978 0.565 12.327) 12.378 11.841 ( -1.013 -0.585 2.665) 2.910 12.202 ( 4.981 2.876 -7.812) 9.701 12.914 ( -4.480 -2.587 3.095) 6.029 13.066 ( -2.207 -1.274 -9.951) 10.272 13.269 ( 3.760 2.171 1.565) 4.615 16.116 ( -4.212 -2.432 -0.546) 4.894 16.238 ( 2.105 1.216 7.279) 7.674 16.505 ( -7.934 -4.581 0.100) 9.162 16.982 ( -14.971 -8.644 10.213) 20.078 17.319 ( -9.264 -5.349 -1.660) 10.825 17.337 ( 6.796 3.924 10.630) 13.213 18.035 ( -2.016 -1.164 -2.946) 3.755 18.108 ( 2.806 1.620 3.647) 4.878 18.416 ( -0.341 -0.197 -3.619) 3.640 18.572 ( 1.744 1.007 3.871) 4.364 18.685 ( -1.042 -0.602 -9.778) 9.852 18.901 ( 6.823 3.939 4.012) 8.841 ======================= Grid point 80 (26/65) ======================= q-point: (-0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( -24.722 -14.273 -0.696) 28.555 1.618 ( -26.420 -15.253 2.609) 30.618 2.759 ( 11.753 6.786 21.086) 25.076 2.906 ( 4.606 2.659 24.760) 25.325 3.010 ( -32.899 -18.994 -12.424) 39.968 3.738 ( -2.281 -1.317 -10.090) 10.428 3.934 ( -5.713 -3.299 -13.498) 15.024 4.294 ( 2.820 1.628 -6.950) 7.675 4.388 ( 7.159 4.133 -4.507) 9.415 4.446 ( -0.522 -0.302 4.259) 4.302 4.525 ( -0.608 -0.351 -0.718) 1.004 4.598 ( -8.298 -4.791 5.632) 11.114 4.697 ( 0.424 0.245 -3.322) 3.358 5.034 ( 3.576 2.064 -0.309) 4.140 5.052 ( 5.797 3.347 9.970) 12.009 5.168 ( 3.704 2.139 -3.188) 5.335 5.393 ( 12.485 7.208 -1.415) 14.486 5.653 ( -9.713 -5.608 3.023) 11.615 5.808 ( -3.814 -2.202 3.819) 5.830 5.991 ( 2.359 1.362 8.677) 9.094 6.007 ( 0.688 0.397 -2.955) 3.060 6.489 ( -14.870 -8.585 10.189) 19.965 6.748 ( 5.201 3.003 8.052) 10.045 6.763 ( -11.274 -6.509 -20.603) 24.371 6.854 ( 6.201 3.580 -8.118) 10.824 6.988 ( 3.460 1.997 -9.252) 10.078 7.139 ( 6.045 3.490 16.854) 18.243 7.253 ( 11.345 6.550 -11.762) 17.606 7.324 ( -2.960 -1.709 3.349) 4.785 7.798 ( 17.578 10.149 -0.871) 20.316 7.988 ( 0.186 0.107 -14.821) 14.823 8.145 ( -2.347 -1.355 4.760) 5.478 8.385 ( 2.992 1.727 10.545) 11.097 8.531 ( -1.665 -0.961 -3.707) 4.177 8.732 ( 1.584 0.914 4.025) 4.421 8.847 ( 6.824 3.940 -8.414) 11.528 9.293 ( -4.654 -2.687 9.513) 10.926 9.400 ( 10.499 6.062 -2.751) 12.431 9.485 ( -3.472 -2.005 -2.999) 5.007 9.608 ( 2.155 1.244 4.818) 5.423 9.822 ( -2.228 -1.286 3.280) 4.169 9.921 ( -7.510 -4.336 9.050) 12.534 10.575 ( -1.463 -0.845 0.605) 1.794 10.692 ( 1.901 1.098 -6.470) 6.832 10.800 ( 0.536 0.309 -2.045) 2.137 11.025 ( 0.001 0.001 3.621) 3.621 11.169 ( -1.942 -1.121 -6.231) 6.622 11.358 ( -6.248 -3.608 -3.814) 8.161 11.865 ( 1.552 0.896 0.614) 1.894 11.976 ( 2.548 1.471 11.419) 11.792 12.163 ( 3.616 2.088 -12.729) 13.397 12.820 ( -7.265 -4.195 0.406) 8.399 12.942 ( -2.151 -1.242 -4.870) 5.467 13.402 ( 6.828 3.942 2.564) 8.291 15.962 ( -10.151 -5.860 -2.332) 11.951 16.306 ( -3.340 -1.928 4.095) 5.625 16.397 ( -4.708 -2.718 0.956) 5.519 16.788 ( -11.194 -6.463 1.817) 13.052 17.157 ( -9.719 -5.611 2.596) 11.519 17.566 ( 5.988 3.457 8.762) 11.162 17.974 ( -1.150 -0.664 -2.997) 3.278 18.182 ( 1.106 0.638 3.187) 3.433 18.379 ( -0.360 -0.208 -1.870) 1.916 18.533 ( -3.669 -2.119 -9.231) 10.157 18.639 ( 1.165 0.673 3.026) 3.312 19.039 ( 5.164 2.981 1.376) 6.119 ======================= Grid point 81 (27/65) ======================= q-point: (-0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( -23.032 -13.298 7.652) 27.674 1.273 ( -23.992 -13.852 14.777) 31.398 2.155 ( -39.996 -23.092 -11.440) 47.579 3.188 ( 13.361 7.714 12.691) 19.977 3.266 ( 2.129 1.229 20.368) 20.516 3.634 ( -8.492 -4.903 -13.565) 16.738 3.641 ( -0.114 -0.066 -2.417) 2.421 4.251 ( 1.029 0.594 -6.098) 6.212 4.367 ( -9.531 -5.503 2.345) 11.252 4.405 ( 3.136 1.810 -6.741) 7.651 4.525 ( 0.932 0.538 -0.688) 1.278 4.587 ( -0.495 -0.286 2.997) 3.051 4.667 ( -0.671 -0.388 0.193) 0.799 5.088 ( 2.823 1.630 0.874) 3.375 5.120 ( -1.272 -0.734 -7.907) 8.042 5.223 ( 3.073 1.774 4.574) 5.789 5.543 ( -9.207 -5.316 6.438) 12.429 5.652 ( 13.683 7.900 0.775) 15.819 5.744 ( -6.014 -3.472 -0.127) 6.946 6.004 ( 4.608 2.660 -5.344) 7.542 6.158 ( 5.059 2.921 6.437) 8.692 6.318 ( -11.228 -6.482 3.248) 13.365 6.348 ( -9.187 -5.304 -14.297) 17.803 6.886 ( 6.710 3.874 -7.473) 10.764 6.933 ( 0.773 0.446 3.001) 3.130 6.937 ( 2.082 1.202 5.067) 5.608 7.328 ( 11.811 6.819 -9.977) 16.898 7.347 ( -0.075 -0.043 6.079) 6.080 7.524 ( 8.606 4.969 20.713) 22.973 7.759 ( -0.787 -0.455 -19.071) 19.093 8.100 ( -4.243 -2.450 -1.258) 5.058 8.126 ( 12.171 7.027 3.934) 14.595 8.489 ( 2.061 1.190 -5.626) 6.109 8.565 ( 4.580 2.644 9.271) 10.673 8.851 ( 4.523 2.611 3.899) 6.518 8.895 ( 5.725 3.305 -0.979) 6.683 9.206 ( -9.093 -5.250 -5.478) 11.843 9.322 ( -3.122 -1.802 -6.292) 7.251 9.553 ( 10.851 6.265 -5.433) 13.657 9.782 ( -3.779 -2.182 0.450) 4.387 9.839 ( 2.600 1.501 12.807) 13.154 9.876 ( -2.098 -1.211 4.265) 4.905 10.579 ( -1.610 -0.929 -11.135) 11.289 10.580 ( -1.713 -0.989 4.630) 5.035 10.799 ( 0.505 0.292 -2.253) 2.327 11.018 ( -2.260 -1.305 -0.612) 2.681 11.090 ( -3.127 -1.805 0.686) 3.675 11.250 ( -5.089 -2.938 3.231) 6.706 11.910 ( 4.149 2.396 -1.797) 5.117 12.021 ( -2.959 -1.708 -4.257) 5.459 12.188 ( 6.769 3.908 5.995) 9.851 12.671 ( -8.078 -4.664 -2.212) 9.586 12.875 ( -3.120 -1.801 0.880) 3.709 13.539 ( 5.943 3.431 0.547) 6.885 15.747 ( -11.128 -6.425 0.320) 12.854 16.171 ( -12.741 -7.356 0.466) 14.719 16.350 ( -3.240 -1.871 3.393) 5.051 16.706 ( -0.611 -0.353 1.171) 1.367 17.026 ( -7.627 -4.403 2.597) 9.181 17.738 ( 3.830 2.211 5.958) 7.420 17.918 ( -1.565 -0.904 -2.935) 3.447 18.218 ( -0.261 -0.151 1.830) 1.854 18.355 ( -1.864 -1.076 -3.595) 4.190 18.371 ( -3.101 -1.791 -3.152) 4.771 18.675 ( 0.193 0.112 1.152) 1.173 19.119 ( 3.668 2.118 -1.396) 4.460 ======================= Grid point 82 (28/65) ======================= q-point: (-0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( -30.194 -17.432 -9.357) 36.099 0.849 ( -17.642 -10.186 22.580) 30.412 1.633 ( -30.135 -17.398 41.233) 53.953 3.264 ( -1.285 -0.742 -16.645) 16.711 3.385 ( -2.926 -1.690 4.307) 5.474 3.611 ( 4.273 2.467 15.278) 16.055 3.706 ( 0.677 0.391 10.731) 10.759 4.196 ( 0.909 0.525 -7.287) 7.362 4.267 ( -2.555 -1.475 1.245) 3.202 4.372 ( 2.414 1.394 -9.398) 9.802 4.515 ( 1.023 0.591 -3.805) 3.984 4.567 ( -1.349 -0.779 -3.301) 3.650 4.714 ( 3.496 2.018 2.431) 4.712 5.019 ( -1.958 -1.131 -3.431) 4.109 5.160 ( 1.265 0.731 2.664) 3.039 5.225 ( -5.007 -2.891 -0.689) 5.822 5.404 ( -9.642 -5.567 1.182) 11.196 5.607 ( -8.134 -4.696 -0.077) 9.393 5.726 ( -3.352 -1.935 -5.781) 6.957 6.107 ( 11.840 6.836 1.957) 13.811 6.174 ( -4.089 -2.361 -3.011) 5.600 6.257 ( 4.577 2.642 1.670) 5.542 6.268 ( 4.379 2.528 -3.160) 5.962 6.921 ( 6.965 4.021 -8.863) 11.968 6.988 ( 2.232 1.289 8.734) 9.107 7.084 ( -0.094 -0.054 11.785) 11.786 7.390 ( -5.598 -3.232 0.057) 6.464 7.420 ( 9.569 5.525 -8.801) 14.126 7.567 ( 3.137 1.811 -9.013) 9.713 7.823 ( -1.917 -1.107 10.483) 10.714 7.993 ( -0.413 -0.239 -5.136) 5.158 8.333 ( 7.188 4.150 2.050) 8.550 8.453 ( 0.678 0.391 -6.033) 6.084 8.749 ( 5.524 3.189 6.402) 9.037 8.878 ( -5.519 -3.186 -29.106) 29.795 8.895 ( 1.663 0.960 -2.480) 3.137 9.058 ( 3.802 2.195 6.738) 8.041 9.206 ( -5.441 -3.142 -0.170) 6.286 9.619 ( 5.695 3.288 -7.036) 9.631 9.720 ( -11.370 -6.564 -3.385) 13.558 9.786 ( 3.201 1.848 3.147) 4.854 10.053 ( 5.256 3.034 -2.164) 6.443 10.422 ( -2.704 -1.561 -6.747) 7.435 10.586 ( -4.082 -2.357 4.266) 6.358 10.759 ( -0.052 -0.030 -5.092) 5.092 10.946 ( -4.779 -2.759 -1.053) 5.618 11.081 ( -0.947 -0.547 5.293) 5.405 11.233 ( -3.897 -2.250 6.910) 8.246 11.970 ( 5.630 3.250 -3.516) 7.390 12.004 ( 2.840 1.640 3.832) 5.044 12.481 ( -8.256 -4.767 -5.315) 10.915 12.487 ( 9.920 5.727 21.128) 24.033 12.875 ( -0.648 -0.374 12.847) 12.869 13.617 ( 3.960 2.286 -2.790) 5.356 15.632 ( -5.994 -3.461 10.184) 12.313 15.954 ( -10.832 -6.254 1.581) 12.607 16.381 ( -0.163 -0.094 10.553) 10.555 16.714 ( -1.175 -0.678 1.035) 1.706 16.969 ( -1.438 -0.830 2.722) 3.188 17.834 ( 1.233 0.712 2.985) 3.307 17.850 ( -1.925 -1.112 -3.381) 4.046 18.217 ( -1.033 -0.596 0.710) 1.388 18.241 ( -2.819 -1.627 -2.421) 4.056 18.362 ( -0.614 -0.355 1.607) 1.756 18.674 ( -0.257 -0.148 -1.128) 1.167 19.125 ( 0.696 0.402 -6.367) 6.418 ======================= Grid point 85 (29/65) ======================= q-point: ( 0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( -0.000 -12.508 36.844) 38.909 2.057 ( -0.000 2.153 31.292) 31.366 2.971 ( 0.000 -15.098 -0.584) 15.109 3.273 ( 0.000 -4.953 -23.253) 23.775 3.401 ( -0.000 9.158 9.051) 12.876 3.716 ( -0.000 13.903 38.742) 41.161 4.052 ( 0.000 3.825 -12.089) 12.680 4.132 ( 0.000 1.977 -15.113) 15.242 4.233 ( 0.000 -5.076 1.399) 5.266 4.278 ( 0.000 1.356 -3.810) 4.044 4.369 ( -0.000 2.826 13.237) 13.535 4.424 ( -0.000 1.901 17.384) 17.488 4.429 ( 0.000 -9.196 -4.774) 10.361 4.746 ( -0.000 12.620 -4.721) 13.474 4.816 ( 0.000 -3.815 -0.563) 3.857 5.188 ( -0.000 7.750 -1.840) 7.966 5.322 ( -0.000 10.769 0.579) 10.784 5.666 ( 0.000 0.052 -9.084) 9.084 5.739 ( -0.000 -0.441 11.495) 11.504 6.206 ( 0.000 -11.952 4.960) 12.940 6.319 ( -0.000 -3.321 4.350) 5.473 6.367 ( 0.000 -5.766 1.180) 5.885 6.603 ( 0.000 -0.388 -0.232) 0.452 6.714 ( 0.000 9.136 -9.999) 13.544 6.762 ( 0.000 -8.923 3.167) 9.469 6.977 ( 0.000 -2.184 -4.890) 5.355 7.136 ( -0.000 7.929 -1.556) 8.080 7.433 ( 0.000 1.445 -16.854) 16.916 7.507 ( 0.000 4.854 -8.631) 9.902 7.852 ( -0.000 -1.913 11.628) 11.784 7.899 ( -0.000 3.211 6.529) 7.276 7.949 ( 0.000 -11.043 -19.357) 22.286 8.304 ( 0.000 8.988 -18.824) 20.860 8.676 ( -0.000 -3.663 4.534) 5.829 8.712 ( -0.000 0.440 8.230) 8.242 8.878 ( 0.000 2.419 -9.559) 9.860 9.048 ( 0.000 -11.263 1.804) 11.406 9.213 ( -0.000 1.814 7.123) 7.350 9.362 ( -0.000 10.178 -0.098) 10.179 9.816 ( 0.000 -12.356 2.770) 12.663 10.088 ( -0.000 4.857 1.890) 5.212 10.172 ( 0.000 -9.844 2.512) 10.160 10.399 ( -0.000 -5.106 5.844) 7.761 10.567 ( 0.000 -1.910 -4.357) 4.757 10.662 ( -0.000 9.875 5.758) 11.431 10.755 ( -0.000 13.882 -3.059) 14.215 11.398 ( 0.000 -2.499 1.475) 2.902 11.475 ( -0.000 2.224 1.555) 2.714 11.873 ( 0.000 -5.929 -0.826) 5.986 11.947 ( 0.000 -0.847 -2.396) 2.542 12.044 ( -0.000 3.769 -1.334) 3.998 12.827 ( -0.000 3.219 5.499) 6.371 13.263 ( 0.000 -0.761 -13.282) 13.304 13.375 ( 0.000 -4.745 -7.064) 8.510 16.088 ( -0.000 1.691 8.456) 8.624 16.092 ( -0.000 1.176 8.599) 8.679 16.779 ( -0.000 1.538 4.176) 4.450 17.050 ( -0.000 -8.910 9.067) 12.712 17.244 ( -0.000 1.451 10.685) 10.783 17.693 ( 0.000 -4.280 -2.863) 5.149 17.887 ( -0.000 4.607 2.071) 5.051 18.317 ( 0.000 -5.401 2.691) 6.034 18.386 ( 0.000 -5.534 1.797) 5.818 18.494 ( -0.000 1.054 3.542) 3.696 18.510 ( 0.000 2.318 -3.441) 4.149 18.743 ( -0.000 9.307 -4.891) 10.514 ======================= Grid point 86 (30/65) ======================= q-point: ( 0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( 0.821 -11.122 35.568) 37.275 2.349 ( -2.359 -5.240 20.457) 21.249 2.696 ( -19.131 -7.520 5.258) 21.218 2.864 ( -19.568 -5.524 -13.570) 24.445 3.694 ( 19.006 4.385 0.717) 19.518 3.965 ( -1.861 -1.103 -13.502) 13.674 3.999 ( 4.908 8.879 -9.428) 13.850 4.079 ( -1.437 -2.177 -1.375) 2.949 4.173 ( -3.732 5.620 3.472) 7.587 4.299 ( 5.757 -10.326 3.580) 12.353 4.484 ( 8.326 0.223 11.808) 14.450 4.583 ( 0.320 8.583 14.753) 17.071 4.606 ( 0.720 2.642 10.090) 10.455 4.750 ( -3.163 3.200 1.153) 4.645 4.838 ( 3.590 5.173 -0.471) 6.314 5.112 ( -9.023 8.599 -1.553) 12.561 5.431 ( -4.663 -4.053 -9.318) 11.180 5.646 ( 11.477 12.075 0.478) 16.666 5.882 ( -0.549 0.368 11.998) 12.016 6.107 ( -1.946 -11.100 0.479) 11.280 6.233 ( -9.376 -7.923 -1.376) 12.353 6.399 ( 2.176 -2.171 8.807) 9.328 6.642 ( 4.473 1.442 -1.114) 4.830 6.689 ( 2.055 5.930 -3.673) 7.272 6.733 ( 4.334 -8.227 -0.507) 9.313 6.912 ( 0.520 -2.155 -2.668) 3.469 7.186 ( -0.958 3.476 -12.183) 12.705 7.288 ( 4.775 6.430 -7.580) 11.027 7.455 ( -3.592 6.558 -4.632) 8.796 7.584 ( -7.832 -7.854 -17.303) 20.553 7.938 ( 4.983 -5.973 -0.723) 7.812 8.047 ( 4.630 2.970 7.511) 9.310 8.182 ( 0.590 8.230 -13.131) 15.508 8.674 ( 0.538 -2.714 -0.132) 2.770 8.777 ( -1.999 0.700 -4.567) 5.034 8.802 ( -1.484 0.731 2.370) 2.890 9.001 ( 5.816 -12.019 1.330) 13.418 9.313 ( -2.069 2.593 9.705) 10.256 9.426 ( -2.800 9.070 1.034) 9.548 9.775 ( 1.622 -9.752 4.518) 10.869 10.029 ( -8.407 -5.661 -1.831) 10.300 10.114 ( -3.761 0.286 3.647) 5.247 10.478 ( 4.931 -2.100 5.132) 7.421 10.540 ( 4.506 -3.395 -4.313) 7.102 10.778 ( 1.671 9.448 -3.150) 10.099 10.864 ( 1.298 12.747 2.727) 13.100 11.344 ( -2.429 -2.937 -3.749) 5.346 11.501 ( 2.791 0.933 -3.109) 4.281 11.833 ( -1.266 -5.418 3.549) 6.599 11.911 ( -3.353 0.087 2.440) 4.147 12.100 ( 2.739 2.068 1.017) 3.580 12.923 ( 1.599 2.657 4.369) 5.357 13.108 ( -0.805 -0.511 -11.877) 11.915 13.256 ( -1.130 -2.444 -5.701) 6.305 16.183 ( -1.068 0.569 6.212) 6.329 16.199 ( 0.625 1.119 8.867) 8.959 16.769 ( -9.237 -1.432 3.737) 10.067 17.146 ( 6.966 -3.355 9.360) 12.140 17.324 ( -7.548 -4.553 13.502) 16.125 17.564 ( -7.880 -1.471 -4.165) 9.033 17.995 ( 4.746 2.858 3.848) 6.745 18.180 ( -9.234 -3.374 -0.108) 9.832 18.410 ( 1.824 -1.983 -2.499) 3.675 18.512 ( 3.154 -0.569 -0.062) 3.205 18.582 ( 7.224 0.053 -1.542) 7.387 18.778 ( 0.829 8.297 -1.417) 8.458 ======================= Grid point 87 (31/65) ======================= q-point: (-0.50 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( -20.629 -19.288 -0.708) 28.250 2.397 ( -28.695 -3.952 -1.804) 29.022 2.565 ( 3.300 -3.471 29.342) 29.730 2.826 ( 0.631 1.397 27.318) 27.361 3.740 ( -3.556 -10.215 -9.561) 14.436 3.798 ( -13.528 -5.208 -4.629) 15.217 3.995 ( 2.993 1.503 -8.577) 9.208 4.051 ( 14.188 1.368 -7.464) 16.090 4.186 ( 2.190 7.605 -6.022) 9.945 4.363 ( 4.885 -0.726 1.235) 5.091 4.615 ( -1.473 2.370 -1.904) 3.378 4.638 ( 3.136 0.515 3.868) 5.006 4.759 ( -4.996 2.265 7.719) 9.469 4.908 ( 3.459 2.467 4.349) 6.080 4.961 ( 2.912 5.632 12.441) 13.964 5.088 ( 0.222 7.927 -2.954) 8.462 5.233 ( -4.858 3.622 -6.102) 8.599 5.850 ( 3.176 -1.531 1.688) 3.909 5.896 ( -2.756 -4.727 2.007) 5.828 6.002 ( -8.847 -6.990 2.105) 11.470 6.115 ( -4.990 3.476 6.530) 8.924 6.514 ( 7.591 -4.818 3.088) 9.507 6.715 ( 5.247 6.350 -1.367) 8.350 6.736 ( 6.673 -1.666 -5.756) 8.968 6.800 ( 3.866 -2.999 5.094) 7.063 6.897 ( 5.119 0.384 -2.286) 5.619 7.032 ( -0.932 5.483 -11.077) 12.395 7.189 ( -8.420 -7.770 -10.818) 15.757 7.373 ( 3.779 3.057 -3.133) 5.783 7.492 ( -0.237 10.985 -0.227) 10.990 7.869 ( 6.073 -4.507 -13.076) 15.106 8.146 ( 0.327 2.361 0.857) 2.533 8.255 ( 6.457 4.034 4.820) 9.011 8.638 ( -2.945 -3.018 -1.899) 4.625 8.682 ( 2.637 -0.171 -6.347) 6.875 8.810 ( -4.978 1.251 4.344) 6.724 9.053 ( 11.098 -9.579 1.474) 14.734 9.400 ( -2.348 1.121 6.627) 7.120 9.482 ( -1.279 7.581 5.271) 9.321 9.776 ( -2.771 -4.432 -1.688) 5.493 9.862 ( -5.139 -2.820 1.496) 6.050 10.106 ( -4.893 0.218 4.868) 6.905 10.502 ( 3.549 -4.986 -4.460) 7.573 10.596 ( 6.245 -1.516 2.079) 6.754 10.794 ( 0.054 8.431 -7.233) 11.109 11.012 ( 0.937 8.729 4.543) 9.885 11.230 ( -3.138 -3.638 -4.069) 6.296 11.476 ( -0.848 -0.522 -3.689) 3.821 11.833 ( 1.009 -4.088 1.960) 4.645 11.927 ( -0.956 1.734 5.021) 5.398 12.138 ( -0.075 0.644 -0.071) 0.652 12.952 ( -2.177 -1.080 -1.214) 2.717 12.985 ( -0.926 -0.213 -6.729) 6.796 13.238 ( 4.262 2.395 -0.093) 4.889 16.193 ( -5.859 -1.551 3.961) 7.240 16.307 ( 0.864 -0.636 7.552) 7.628 16.635 ( -12.001 -2.352 3.193) 12.639 17.204 ( -15.456 -9.550 3.433) 18.490 17.353 ( 7.639 -0.302 8.084) 11.126 17.437 ( -7.992 -1.139 3.992) 9.006 18.038 ( -4.229 -0.931 -2.357) 4.930 18.132 ( 2.486 2.456 4.418) 5.633 18.386 ( -0.088 0.078 -1.712) 1.716 18.525 ( 3.653 -3.286 -5.625) 7.469 18.622 ( 1.630 2.491 -0.761) 3.073 18.876 ( 5.344 4.644 0.881) 7.134 ======================= Grid point 88 (32/65) ======================= q-point: (-0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( -22.844 -18.112 6.193) 29.804 2.012 ( -28.666 -4.134 8.297) 30.128 2.914 ( 6.423 1.815 21.313) 22.334 3.123 ( -5.173 -4.741 14.169) 15.812 3.286 ( -27.905 -11.979 1.954) 30.431 3.559 ( 3.868 -13.092 -8.748) 16.213 3.872 ( -6.370 -0.455 -7.065) 9.523 4.157 ( 8.224 2.459 -6.217) 10.599 4.262 ( 8.610 8.039 -6.797) 13.599 4.435 ( 2.341 5.793 -1.625) 6.456 4.602 ( -2.653 3.091 -0.618) 4.120 4.681 ( -0.951 -2.424 1.870) 3.205 4.713 ( -7.741 0.883 1.139) 7.874 4.973 ( 3.627 1.128 -1.891) 4.243 5.133 ( 2.616 2.488 1.883) 4.072 5.141 ( 0.535 3.775 2.244) 4.424 5.276 ( 9.287 9.896 -1.052) 13.612 5.730 ( -5.650 -9.653 2.638) 11.491 5.864 ( -4.086 -4.547 -0.085) 6.114 5.950 ( 1.567 -2.826 1.396) 3.520 6.140 ( -6.594 7.354 3.387) 10.442 6.579 ( -5.194 -6.488 -13.451) 15.812 6.585 ( 7.982 -7.898 -3.731) 11.833 6.705 ( -7.958 -0.389 -6.032) 9.994 6.877 ( 1.220 1.964 9.056) 9.346 6.974 ( 6.023 7.075 -6.364) 11.262 7.015 ( 4.645 7.726 -1.853) 9.203 7.246 ( 11.451 -0.484 16.433) 20.035 7.378 ( 0.457 0.384 -0.842) 1.032 7.600 ( 9.079 3.989 -8.159) 12.842 7.832 ( 5.021 3.736 -3.215) 7.036 8.154 ( 1.048 -0.949 -1.570) 2.113 8.413 ( 6.058 2.174 1.358) 6.578 8.546 ( -3.498 2.993 -2.152) 5.081 8.718 ( 4.840 0.719 1.863) 5.236 8.810 ( -1.572 -3.896 6.032) 7.351 9.153 ( 13.207 -6.754 -3.621) 15.269 9.411 ( -2.950 0.412 1.440) 3.309 9.565 ( -10.907 4.607 -9.706) 15.310 9.623 ( 3.518 -1.537 7.138) 8.105 9.883 ( -1.195 2.295 3.997) 4.762 10.089 ( -5.982 0.786 4.375) 7.453 10.448 ( 4.238 -9.043 -4.936) 11.141 10.664 ( 3.751 0.682 -1.272) 4.019 10.778 ( -1.201 6.346 -3.580) 7.384 11.081 ( -3.302 3.680 -1.895) 5.295 11.155 ( -0.943 -2.916 4.086) 5.108 11.413 ( -5.259 -0.903 1.804) 5.632 11.825 ( 2.043 -2.143 -2.102) 3.631 12.001 ( 3.662 3.148 -2.733) 5.548 12.126 ( -2.198 -0.989 5.390) 5.904 12.855 ( -4.979 -1.564 -4.415) 6.836 12.933 ( -1.222 -0.294 0.174) 1.269 13.354 ( 7.009 3.043 1.067) 7.715 16.083 ( -12.222 -4.244 3.023) 13.286 16.365 ( -0.835 -4.050 5.709) 7.049 16.520 ( -9.696 -0.831 4.007) 10.524 16.925 ( -15.026 -4.698 -2.105) 15.884 17.288 ( -11.576 -7.379 3.779) 14.238 17.576 ( 8.469 0.274 5.970) 10.365 17.968 ( -2.555 1.144 -2.205) 3.563 18.223 ( 0.632 2.382 4.047) 4.739 18.372 ( -0.614 0.151 -0.499) 0.805 18.439 ( -0.236 -2.902 -7.600) 8.138 18.666 ( 0.818 1.609 1.570) 2.392 18.982 ( 6.003 2.652 -1.182) 6.669 ======================= Grid point 89 (33/65) ======================= q-point: (-0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( -21.157 -15.306 15.746) 30.493 1.678 ( -30.377 -9.881 5.269) 32.376 2.609 ( -39.124 -6.659 12.113) 41.494 3.168 ( 6.192 -0.752 -4.635) 7.772 3.283 ( 7.312 -17.219 6.019) 19.652 3.538 ( 8.547 -8.503 5.479) 13.243 3.786 ( -10.939 7.833 12.054) 18.064 4.188 ( 0.763 5.289 -5.827) 7.906 4.305 ( 1.563 3.016 -5.688) 6.625 4.441 ( -1.742 2.523 -4.314) 5.293 4.544 ( -6.377 3.039 -2.381) 7.454 4.643 ( -3.211 0.955 -0.080) 3.352 4.669 ( 0.286 -0.439 -1.236) 1.342 5.026 ( 5.293 1.810 -0.676) 5.635 5.091 ( -2.359 3.825 -5.497) 7.100 5.242 ( 2.775 -0.479 3.137) 4.216 5.500 ( 11.055 4.077 -1.491) 11.877 5.671 ( -0.779 -5.685 6.831) 8.921 5.779 ( -3.758 -3.606 -1.618) 5.454 5.946 ( -0.225 4.099 -2.332) 4.722 6.134 ( 1.955 -1.172 -4.128) 4.716 6.265 ( -8.091 -3.296 -8.839) 12.428 6.480 ( -11.908 -1.545 -3.394) 12.478 6.663 ( 7.982 -4.804 0.826) 9.353 6.983 ( 0.073 1.113 5.733) 5.841 7.049 ( 9.073 3.991 -3.597) 10.545 7.185 ( 2.987 14.530 2.235) 15.001 7.401 ( 2.881 -1.410 3.828) 4.994 7.542 ( 1.112 0.155 -10.432) 10.492 7.642 ( 12.979 0.041 15.000) 19.836 7.922 ( 4.890 -6.948 1.971) 8.722 8.174 ( 5.241 8.232 -4.719) 10.840 8.431 ( -0.063 5.334 -5.839) 7.908 8.594 ( 2.632 2.925 3.116) 5.019 8.807 ( 1.455 -10.648 -0.359) 10.753 8.881 ( 7.161 0.823 10.649) 12.860 9.138 ( 0.668 2.176 -13.776) 13.962 9.327 ( -6.477 -2.603 -2.694) 7.482 9.442 ( 2.670 8.132 -6.959) 11.031 9.680 ( 3.439 -8.867 0.454) 9.521 9.924 ( -2.461 -0.062 2.264) 3.344 10.064 ( -7.710 9.183 1.650) 12.104 10.373 ( 5.251 -11.201 -4.068) 13.022 10.694 ( 1.976 0.907 -1.513) 2.649 10.774 ( -4.048 5.270 0.250) 6.650 11.020 ( -2.923 1.183 -1.711) 3.587 11.178 ( -2.980 -3.054 6.719) 7.960 11.370 ( -6.502 -1.516 6.400) 9.248 11.826 ( 4.511 0.848 -4.213) 6.230 11.974 ( 0.649 1.218 -5.457) 5.628 12.267 ( 5.508 0.499 14.468) 15.489 12.702 ( -7.170 -0.837 -6.600) 9.781 12.938 ( -2.241 -0.711 5.208) 5.714 13.467 ( 6.683 1.839 -1.462) 7.084 15.912 ( -13.431 -4.300 5.741) 15.226 16.332 ( -12.855 -3.383 3.257) 13.686 16.409 ( -3.520 -6.904 4.805) 9.118 16.778 ( -4.342 4.390 0.265) 6.180 17.100 ( -9.543 -9.696 1.438) 13.680 17.718 ( 7.018 -2.414 1.402) 7.553 17.925 ( -3.073 2.011 -0.922) 3.786 18.268 ( -1.572 1.825 0.265) 2.423 18.321 ( -2.385 -0.299 -2.431) 3.418 18.380 ( -0.649 -0.126 0.945) 1.153 18.687 ( -0.551 0.037 0.472) 0.727 19.048 ( 4.695 1.931 -3.359) 6.087 ======================= Grid point 90 (34/65) ======================= q-point: (-0.12 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( -33.999 -10.519 1.493) 35.620 1.242 ( -15.119 -11.717 25.593) 31.951 2.467 ( -27.224 -1.358 41.756) 49.865 3.014 ( 4.431 -9.036 -14.408) 17.575 3.337 ( 11.173 -14.459 -0.697) 18.286 3.739 ( 7.383 -0.940 12.565) 14.603 3.884 ( -9.036 7.580 14.333) 18.562 4.095 ( -5.181 4.359 -9.887) 11.983 4.259 ( -0.846 -1.156 -3.606) 3.880 4.386 ( -4.513 2.328 -0.142) 5.081 4.468 ( -1.390 0.533 -3.312) 3.632 4.595 ( -3.616 5.763 -5.248) 8.592 4.639 ( 1.356 1.217 -7.862) 8.071 5.028 ( -3.011 -1.461 -2.033) 3.916 5.117 ( 4.325 0.891 -1.327) 4.611 5.243 ( -2.210 -4.236 -1.246) 4.938 5.488 ( -5.414 -3.208 1.855) 6.561 5.651 ( -5.408 -1.852 -2.272) 6.151 5.763 ( 1.268 4.586 0.960) 4.854 6.022 ( 6.115 2.459 2.180) 6.942 6.094 ( 4.518 -0.508 -9.070) 10.146 6.162 ( 3.946 -3.943 -0.969) 5.662 6.351 ( -5.613 4.816 3.881) 8.353 6.743 ( 5.034 -0.520 -0.614) 5.098 7.058 ( 4.697 2.129 -1.343) 5.329 7.160 ( 4.226 -0.418 1.393) 4.469 7.314 ( 1.162 1.426 2.878) 3.415 7.406 ( -1.778 12.871 -11.043) 17.052 7.503 ( 1.372 -5.573 7.454) 9.408 7.777 ( 2.435 -10.526 -2.428) 11.074 8.038 ( 4.539 3.381 9.032) 10.658 8.288 ( 8.455 3.394 -1.196) 9.189 8.408 ( -2.869 3.997 -3.734) 6.176 8.532 ( -2.151 -10.828 -17.735) 20.891 8.746 ( 6.029 4.199 0.697) 7.380 9.017 ( -6.710 8.676 -0.499) 10.979 9.118 ( -0.875 0.370 4.254) 4.359 9.208 ( 1.837 -3.507 -2.120) 4.490 9.480 ( 6.065 9.473 -9.191) 14.525 9.635 ( 0.955 -12.649 -0.404) 12.692 9.843 ( -3.127 -2.568 -0.887) 4.143 10.037 ( -2.429 1.091 -1.484) 3.049 10.357 ( 2.262 -1.386 -0.490) 2.697 10.692 ( 1.293 1.517 -3.823) 4.311 10.738 ( -8.118 1.969 2.589) 8.745 10.980 ( -3.934 0.074 0.023) 3.935 11.194 ( -3.471 -1.216 8.452) 9.218 11.357 ( -4.936 -2.633 8.014) 9.774 11.858 ( 6.232 2.434 -5.728) 8.807 11.967 ( 3.738 -0.112 -2.491) 4.493 12.502 ( -9.048 0.543 -8.736) 12.589 12.578 ( 10.045 1.224 15.494) 18.505 13.002 ( 1.900 -0.334 11.513) 11.674 13.520 ( 5.111 0.530 -5.148) 7.274 15.830 ( -8.147 -1.862 10.998) 13.813 16.120 ( -14.400 -2.362 2.184) 14.755 16.455 ( 3.535 -4.860 10.046) 11.707 16.808 ( -3.924 6.913 3.046) 8.512 16.946 ( -1.002 -11.767 1.180) 11.869 17.742 ( 4.214 -6.303 -3.921) 8.536 17.909 ( -2.800 3.599 1.369) 4.761 18.209 ( -1.084 -2.374 -2.761) 3.799 18.324 ( -4.129 7.071 2.905) 8.688 18.397 ( -0.718 0.293 3.301) 3.391 18.664 ( -1.443 -0.923 -1.430) 2.231 19.052 ( 1.149 1.079 -5.817) 6.027 ======================= Grid point 94 (35/65) ======================= q-point: ( 0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( 0.000 -17.293 1.170) 17.333 2.530 ( -0.000 -10.133 35.521) 36.938 2.787 ( -0.000 -3.465 6.654) 7.502 3.048 ( -0.000 -2.932 8.433) 8.928 3.510 ( 0.000 5.321 -4.909) 7.240 3.815 ( 0.000 -11.476 -13.186) 17.481 3.825 ( 0.000 4.843 -14.804) 15.576 4.145 ( -0.000 7.653 3.519) 8.423 4.204 ( 0.000 3.735 -4.615) 5.937 4.271 ( -0.000 -0.349 4.630) 4.643 4.537 ( -0.000 -0.075 1.249) 1.251 4.665 ( -0.000 -1.734 2.633) 3.153 4.786 ( -0.000 -0.724 5.907) 5.951 4.877 ( -0.000 10.669 18.996) 21.787 4.910 ( -0.000 6.030 3.887) 7.174 5.273 ( -0.000 5.139 0.056) 5.140 5.354 ( 0.000 -1.327 -5.392) 5.553 5.660 ( -0.000 15.450 -0.145) 15.451 6.005 ( 0.000 -8.883 -2.400) 9.202 6.075 ( -0.000 2.795 16.377) 16.613 6.201 ( 0.000 -8.102 -2.502) 8.480 6.396 ( 0.000 -7.774 1.306) 7.883 6.594 ( 0.000 0.888 -2.880) 3.014 6.638 ( 0.000 -3.068 -1.218) 3.301 6.687 ( 0.000 8.009 -6.845) 10.536 6.802 ( 0.000 -9.348 -3.569) 10.006 7.144 ( 0.000 1.830 -6.574) 6.824 7.247 ( -0.000 9.183 -2.196) 9.442 7.388 ( 0.000 -6.704 -13.747) 15.294 7.497 ( 0.000 9.169 -7.405) 11.786 7.785 ( 0.000 -2.827 -7.567) 8.077 8.129 ( -0.000 0.140 10.503) 10.504 8.151 ( 0.000 6.444 -4.552) 7.890 8.645 ( 0.000 -1.799 -1.745) 2.506 8.705 ( 0.000 -3.528 -4.858) 6.004 8.850 ( 0.000 -1.271 -5.520) 5.664 8.919 ( -0.000 -7.759 10.712) 13.226 9.432 ( -0.000 0.737 7.053) 7.091 9.554 ( -0.000 9.798 2.850) 10.204 9.717 ( 0.000 -10.831 3.215) 11.298 10.015 ( 0.000 -5.003 -2.303) 5.508 10.169 ( -0.000 -0.266 2.116) 2.132 10.457 ( 0.000 -0.353 -3.184) 3.203 10.468 ( -0.000 -2.368 2.485) 3.433 10.787 ( 0.000 10.968 -7.554) 13.318 10.993 ( -0.000 11.197 4.118) 11.931 11.298 ( 0.000 -4.167 -2.560) 4.891 11.452 ( 0.000 0.374 -2.103) 2.136 11.825 ( 0.000 -5.590 1.706) 5.845 11.961 ( -0.000 0.524 1.983) 2.051 12.138 ( -0.000 0.821 4.627) 4.700 12.965 ( -0.000 1.775 0.512) 1.848 12.996 ( 0.000 0.042 -7.854) 7.854 13.188 ( 0.000 0.363 -3.972) 3.989 16.279 ( -0.000 -1.012 7.574) 7.641 16.285 ( -0.000 -0.219 7.517) 7.521 16.921 ( -0.000 2.032 5.512) 5.874 17.109 ( -0.000 -6.708 5.413) 8.620 17.465 ( -0.000 -9.511 8.699) 12.889 17.586 ( -0.000 3.209 -1.159) 3.412 18.034 ( -0.000 2.804 5.327) 6.020 18.262 ( 0.000 -4.231 -0.527) 4.263 18.307 ( 0.000 -4.864 -1.873) 5.212 18.424 ( 0.000 3.372 -5.767) 6.680 18.571 ( -0.000 1.166 1.442) 1.854 18.814 ( -0.000 6.762 -1.202) 6.868 ======================= Grid point 95 (36/65) ======================= q-point: (-0.50 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( -11.651 -17.820 4.302) 21.721 2.710 ( -18.172 -5.493 5.783) 19.845 2.836 ( -0.059 -5.416 26.679) 27.223 3.071 ( -2.580 -3.034 14.508) 15.044 3.515 ( -0.014 -18.188 -10.719) 21.112 3.683 ( 15.074 5.407 -7.188) 17.553 3.804 ( 9.528 4.366 -6.894) 12.545 4.096 ( -15.096 1.076 0.487) 15.142 4.226 ( -3.753 7.300 -1.601) 8.363 4.355 ( 3.079 6.796 1.282) 7.571 4.525 ( 4.706 -3.136 -2.386) 6.138 4.653 ( 0.506 -4.377 0.745) 4.469 4.856 ( -0.523 2.706 3.886) 4.764 4.969 ( -0.662 3.371 0.826) 3.534 5.091 ( 1.321 4.546 4.594) 6.597 5.211 ( -11.654 5.804 -1.351) 13.089 5.286 ( -2.666 4.287 -0.689) 5.095 5.804 ( 4.584 3.807 -0.478) 5.978 5.896 ( -3.148 -7.295 -0.970) 8.004 6.068 ( -6.774 -6.982 0.748) 9.757 6.321 ( -1.952 10.307 11.946) 15.898 6.347 ( 6.221 -6.809 -5.060) 10.520 6.563 ( 0.394 -1.604 -8.732) 8.887 6.634 ( 8.504 4.572 -5.732) 11.228 6.729 ( 5.415 -1.971 -5.371) 7.877 6.754 ( 10.113 2.761 -0.112) 10.484 7.101 ( -4.797 -0.812 4.890) 6.899 7.173 ( -7.248 -2.452 -3.259) 8.316 7.319 ( 3.274 2.199 -2.582) 4.714 7.444 ( 4.791 2.759 -10.741) 12.080 7.800 ( -1.405 9.339 3.990) 10.253 8.141 ( 0.387 2.021 -4.134) 4.618 8.265 ( 3.223 -1.818 9.263) 9.974 8.595 ( 0.655 -4.529 -3.437) 5.723 8.643 ( -1.293 -0.404 0.525) 1.453 8.820 ( 7.089 -1.263 -5.339) 8.964 8.950 ( -2.600 -6.907 6.195) 9.635 9.471 ( -2.014 0.895 0.533) 2.267 9.601 ( -2.278 -1.382 4.700) 5.403 9.738 ( 3.685 0.653 -0.105) 3.744 9.926 ( -5.214 -1.428 -0.134) 5.407 10.172 ( -1.133 -2.320 1.800) 3.147 10.421 ( -1.104 0.731 -3.460) 3.704 10.496 ( 5.864 -2.953 -1.246) 6.683 10.795 ( 0.150 10.477 -5.015) 11.617 11.114 ( 0.558 8.345 2.451) 8.715 11.228 ( -3.603 -4.153 0.655) 5.537 11.461 ( 1.083 -0.137 1.594) 1.932 11.790 ( 0.554 -5.023 -1.083) 5.168 11.975 ( -0.774 0.989 0.455) 1.336 12.173 ( -0.961 -0.005 2.083) 2.294 12.935 ( -1.231 0.777 -5.525) 5.713 12.948 ( -0.118 0.175 -0.446) 0.493 13.207 ( 3.131 2.540 0.699) 4.092 16.311 ( -4.239 -2.657 6.506) 8.207 16.366 ( 0.523 -3.023 6.827) 7.484 16.839 ( -14.002 -1.777 3.659) 14.581 17.231 ( 8.586 -3.248 0.892) 9.223 17.359 ( -6.236 -6.773 0.585) 9.225 17.594 ( -7.353 -1.930 6.044) 9.712 18.079 ( -5.462 -0.019 -1.369) 5.630 18.169 ( 1.393 0.837 3.552) 3.907 18.335 ( 6.704 -3.817 -4.355) 8.859 18.413 ( -0.521 3.045 -1.180) 3.307 18.608 ( 2.654 1.207 0.336) 2.934 18.861 ( 2.015 4.730 -1.037) 5.245 ======================= Grid point 96 (37/65) ======================= q-point: (-0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( -19.302 -14.493 13.048) 27.438 2.449 ( -25.783 -5.856 10.676) 28.513 2.984 ( 4.152 -5.314 0.146) 6.745 3.124 ( 4.049 -22.899 -2.558) 23.395 3.369 ( 2.381 -4.908 10.821) 12.118 3.608 ( -25.838 -2.140 -4.444) 26.305 3.933 ( 4.642 3.835 7.166) 9.360 4.004 ( 8.950 2.689 -0.650) 9.367 4.220 ( -1.877 12.043 -2.381) 12.419 4.439 ( 1.761 6.763 -4.683) 8.412 4.580 ( 2.915 -0.829 0.933) 3.171 4.650 ( 4.539 -5.480 1.812) 7.343 4.857 ( -5.993 1.617 -2.548) 6.710 4.967 ( -1.316 2.065 -1.645) 2.950 5.075 ( -2.257 4.323 -5.085) 7.046 5.159 ( 1.788 2.623 -2.548) 4.071 5.337 ( -1.281 8.778 4.410) 9.907 5.754 ( -5.349 -8.036 2.324) 9.929 5.842 ( 0.043 -4.104 -1.250) 4.290 5.943 ( -3.498 -3.973 -0.477) 5.315 6.302 ( -8.861 3.969 -8.262) 12.748 6.375 ( 10.376 -3.033 -4.680) 11.780 6.473 ( -3.746 2.144 -9.421) 10.363 6.655 ( 2.909 3.936 -8.226) 9.572 6.782 ( 9.078 0.821 -3.739) 9.852 6.993 ( 9.801 3.902 6.290) 12.282 7.058 ( -1.057 -0.526 4.575) 4.725 7.269 ( 7.672 2.924 15.294) 17.358 7.332 ( 0.810 -2.223 1.649) 2.884 7.469 ( 4.630 4.517 -3.930) 7.569 7.895 ( -2.930 6.014 4.747) 8.203 8.099 ( 0.336 -0.132 -4.098) 4.114 8.369 ( 2.805 0.823 1.698) 3.381 8.560 ( 2.136 0.797 -0.279) 2.296 8.705 ( 4.759 -1.166 6.503) 8.142 8.872 ( -4.196 -1.934 1.095) 4.748 8.887 ( 9.690 -7.481 -4.468) 13.032 9.425 ( -1.647 0.305 -3.734) 4.092 9.585 ( -0.685 -6.411 -1.943) 6.733 9.671 ( -8.750 4.724 -5.034) 11.145 9.970 ( 2.754 4.537 5.427) 7.591 10.145 ( 0.005 -5.866 1.433) 6.039 10.346 ( -4.535 -0.177 -3.681) 5.844 10.542 ( 7.425 -1.684 -3.997) 8.599 10.852 ( -0.921 10.405 1.074) 10.500 11.146 ( -5.184 2.295 -0.850) 5.733 11.198 ( 0.437 -2.805 5.436) 6.133 11.500 ( -1.381 -0.481 5.586) 5.774 11.745 ( 1.630 -2.815 -3.652) 4.891 11.956 ( -0.443 1.181 -4.341) 4.521 12.194 ( 0.805 -0.806 4.919) 5.049 12.842 ( -3.209 2.102 -7.402) 8.337 12.977 ( -0.691 0.193 5.392) 5.440 13.292 ( 5.506 1.529 0.029) 5.714 16.261 ( -9.890 -4.251 6.134) 12.390 16.398 ( -0.326 -5.997 5.441) 8.104 16.687 ( -10.460 -2.473 2.692) 11.080 17.050 ( -13.847 -3.551 -5.703) 15.391 17.421 ( -2.803 -4.005 1.831) 5.220 17.487 ( 0.124 -5.649 2.239) 6.078 18.010 ( -3.339 2.288 -0.366) 4.064 18.244 ( 3.167 -1.231 -0.541) 3.440 18.330 ( 2.872 -0.474 -1.895) 3.474 18.421 ( -2.630 2.822 1.758) 4.239 18.666 ( 3.046 0.879 1.018) 3.329 18.912 ( 3.859 2.820 -2.365) 5.333 ======================= Grid point 97 (38/65) ======================= q-point: (-0.25 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( -21.169 -10.377 19.063) 30.318 2.099 ( -34.522 -9.983 6.870) 36.587 2.847 ( 4.197 -14.119 -19.062) 24.089 2.942 ( 11.132 -23.771 -7.695) 27.353 3.262 ( -24.963 0.163 15.917) 29.606 3.594 ( 2.513 2.250 18.656) 18.958 4.095 ( -0.949 3.572 3.684) 5.218 4.150 ( 4.143 5.523 6.611) 9.559 4.295 ( -0.016 11.111 -2.264) 11.339 4.390 ( 0.284 1.929 -9.196) 9.401 4.556 ( 1.312 -3.322 -4.629) 5.847 4.667 ( -9.183 0.793 -6.262) 11.143 4.732 ( -2.178 2.974 2.995) 4.750 4.983 ( 3.981 2.919 -0.738) 4.991 5.051 ( 1.724 0.633 -4.462) 4.825 5.186 ( 4.890 -0.675 -2.734) 5.643 5.466 ( 1.526 5.197 7.060) 8.898 5.687 ( -1.102 -8.794 5.360) 10.358 5.763 ( -3.335 -3.070 -3.006) 5.439 5.914 ( 3.398 -2.489 -1.695) 4.540 6.103 ( -6.799 1.911 -8.060) 10.716 6.277 ( -7.707 2.731 -11.091) 13.780 6.439 ( 5.790 -0.238 -4.795) 7.522 6.615 ( 4.966 4.994 -7.634) 10.386 6.912 ( 3.282 3.888 4.556) 6.830 7.087 ( 0.120 1.365 8.007) 8.124 7.242 ( 5.502 1.446 2.444) 6.191 7.354 ( 5.013 0.383 -0.272) 5.035 7.520 ( 1.625 5.787 -0.062) 6.011 7.571 ( 7.300 -5.474 11.903) 14.998 7.919 ( 1.688 -0.237 1.833) 2.503 8.102 ( 2.627 2.869 0.556) 3.929 8.409 ( 2.552 5.620 -3.985) 7.347 8.637 ( 2.068 3.141 3.187) 4.929 8.675 ( -5.997 -13.494 -7.655) 16.632 8.894 ( 10.623 2.031 6.067) 12.401 8.991 ( 6.931 2.714 1.190) 7.538 9.362 ( -3.354 -2.186 -4.336) 5.901 9.428 ( -5.512 2.884 -5.922) 8.589 9.577 ( 0.023 -2.112 -6.103) 6.458 9.999 ( -7.135 -2.057 1.295) 7.538 10.174 ( 5.092 -11.822 -2.285) 13.073 10.245 ( -4.674 9.784 2.303) 11.085 10.576 ( 6.723 0.005 -5.458) 8.659 10.922 ( -4.026 6.568 3.629) 8.516 11.083 ( -4.706 1.451 -0.366) 4.938 11.249 ( 0.003 -3.643 8.390) 9.147 11.526 ( -5.511 -1.427 7.853) 9.700 11.714 ( 3.840 0.737 -6.743) 7.795 11.899 ( 1.235 -0.284 -6.053) 6.184 12.331 ( 6.796 -0.849 11.798) 13.642 12.713 ( -5.992 3.577 -8.887) 11.300 13.036 ( -1.898 0.171 7.609) 7.844 13.362 ( 5.991 0.024 -2.926) 6.667 16.139 ( -12.887 -3.783 7.198) 15.238 16.401 ( 0.854 -7.759 4.265) 8.895 16.542 ( -13.321 -3.386 1.989) 13.888 16.828 ( -4.568 -1.618 -4.420) 6.559 17.223 ( -14.867 -4.310 1.714) 15.574 17.558 ( 9.258 -6.251 -3.033) 11.576 17.995 ( -3.269 2.608 1.615) 4.483 18.212 ( 1.499 -2.738 -4.903) 5.812 18.388 ( 1.775 1.225 3.327) 3.965 18.425 ( -3.334 4.615 1.570) 5.906 18.707 ( -0.530 0.097 1.984) 2.056 18.953 ( 4.933 1.678 -4.234) 6.714 ======================= Grid point 98 (39/65) ======================= q-point: (-0.12 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( -30.673 -5.632 10.313) 32.846 1.685 ( -21.152 -7.100 23.739) 32.579 2.581 ( 6.887 -15.157 -18.686) 25.026 2.874 ( 19.275 -23.752 -8.967) 31.876 3.297 ( -16.285 2.329 34.695) 38.397 3.841 ( 2.281 5.100 11.834) 13.087 4.057 ( -0.814 4.021 -11.261) 11.985 4.213 ( -8.912 5.802 2.783) 10.992 4.276 ( -3.976 -0.459 2.321) 4.626 4.406 ( 1.925 2.304 1.726) 3.463 4.468 ( -0.746 0.733 -9.055) 9.115 4.537 ( -3.164 2.844 -2.696) 5.037 4.715 ( -7.781 5.391 -0.611) 9.486 4.996 ( -1.141 -3.512 -5.718) 6.806 5.065 ( 2.947 1.870 0.227) 3.498 5.188 ( 1.558 -3.335 -3.541) 5.108 5.578 ( -1.567 -0.992 9.835) 10.008 5.677 ( -0.390 0.718 -2.823) 2.939 5.699 ( 4.472 -4.506 0.427) 6.363 5.891 ( 4.052 -7.047 -6.144) 10.190 6.054 ( 0.275 3.681 0.406) 3.713 6.113 ( -1.796 1.260 -3.636) 4.247 6.464 ( 0.750 8.044 0.234) 8.082 6.709 ( 8.270 4.929 -4.706) 10.716 6.973 ( -4.205 6.270 1.068) 7.625 7.171 ( -1.714 -1.907 1.895) 3.188 7.266 ( 4.034 -4.544 2.044) 6.411 7.457 ( 5.524 2.347 -0.254) 6.007 7.518 ( -2.904 0.605 -0.382) 2.991 7.695 ( 4.971 -2.498 5.260) 7.656 7.983 ( 5.027 1.282 -2.762) 5.877 8.201 ( 2.310 -3.923 -6.763) 8.153 8.371 ( -2.173 -5.284 1.187) 5.836 8.468 ( -1.134 6.016 -2.553) 6.633 8.732 ( 3.149 3.827 3.613) 6.133 9.028 ( 5.172 -1.404 -10.227) 11.546 9.153 ( -0.783 3.697 4.803) 6.112 9.218 ( -1.588 3.778 4.703) 6.238 9.395 ( -0.282 6.905 -11.765) 13.645 9.527 ( 6.250 -7.742 2.986) 10.388 9.854 ( -7.782 -4.729 -2.118) 9.349 10.029 ( -2.788 -10.857 -1.286) 11.283 10.373 ( 1.413 8.125 3.363) 8.906 10.608 ( 5.308 2.559 -4.909) 7.670 10.904 ( -8.082 0.802 3.332) 8.779 11.039 ( -2.960 -1.186 0.685) 3.261 11.329 ( -2.376 0.545 9.690) 9.992 11.502 ( -6.430 -2.381 6.146) 9.208 11.718 ( 6.067 2.492 -6.712) 9.384 11.860 ( 3.776 -2.468 -5.347) 6.996 12.536 ( -8.690 4.808 -10.373) 14.361 12.597 ( 10.553 -1.249 13.073) 16.847 13.101 ( -1.150 0.167 8.186) 8.268 13.380 ( 5.122 -1.117 -6.664) 8.479 16.052 ( -9.648 -1.641 8.853) 13.196 16.293 ( -10.378 -4.167 -1.979) 11.357 16.477 ( 0.580 -2.700 8.136) 8.592 16.782 ( 5.508 -8.864 -0.623) 10.455 17.055 ( -12.653 1.737 5.032) 13.727 17.555 ( 6.825 -8.165 -5.646) 12.046 17.996 ( -3.101 2.807 2.351) 4.798 18.160 ( 0.612 -2.388 -3.239) 4.071 18.425 ( -1.294 1.885 2.184) 3.162 18.469 ( 0.127 5.293 1.588) 5.527 18.699 ( -4.426 0.693 2.763) 5.264 18.965 ( 3.373 0.424 -5.788) 6.712 ======================= Grid point 103 (40/65) ======================= q-point: (-0.50 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( 0.000 -14.287 11.151) 18.124 2.851 ( 0.000 -6.954 6.312) 9.392 2.985 ( 0.000 -24.831 6.107) 25.571 3.141 ( 0.000 -5.612 -0.908) 5.685 3.318 ( 0.000 -5.477 4.524) 7.104 3.567 ( 0.000 8.022 2.355) 8.361 3.764 ( 0.000 9.691 1.128) 9.757 4.261 ( -0.000 -1.092 -5.580) 5.685 4.276 ( 0.000 6.857 4.203) 8.042 4.372 ( 0.000 6.028 -3.621) 7.032 4.485 ( 0.000 0.366 5.872) 5.884 4.579 ( 0.000 -7.799 -2.873) 8.312 4.910 ( 0.000 2.710 -1.740) 3.220 4.972 ( 0.000 2.600 -3.821) 4.622 5.065 ( 0.000 2.890 -11.206) 11.573 5.344 ( 0.000 -2.001 2.746) 3.398 5.347 ( -0.000 3.314 6.319) 7.135 5.793 ( 0.000 5.900 -2.537) 6.422 5.870 ( 0.000 -2.135 -0.413) 2.175 6.075 ( -0.000 -5.832 -0.757) 5.881 6.177 ( 0.000 -5.028 -7.885) 9.351 6.447 ( 0.000 5.586 -14.575) 15.609 6.460 ( 0.000 -0.600 -5.941) 5.971 6.565 ( 0.000 -0.616 -3.529) 3.583 6.652 ( 0.000 -1.893 0.474) 1.952 6.695 ( 0.000 10.676 9.609) 14.363 7.171 ( 0.000 3.131 -7.051) 7.715 7.204 ( 0.000 0.245 10.025) 10.028 7.332 ( 0.000 -2.833 12.737) 13.048 7.368 ( 0.000 6.283 -4.607) 7.791 7.968 ( 0.000 9.119 4.499) 10.169 8.098 ( 0.000 3.984 -3.293) 5.169 8.336 ( 0.000 -7.052 11.312) 13.331 8.520 ( 0.000 -1.616 -3.913) 4.234 8.652 ( 0.000 -5.615 -6.746) 8.777 8.692 ( 0.000 -0.495 6.066) 6.086 8.975 ( 0.000 -2.369 0.103) 2.371 9.476 ( 0.000 0.517 -3.678) 3.714 9.576 ( 0.000 -8.272 -3.022) 8.807 9.760 ( 0.000 3.100 5.455) 6.274 9.951 ( 0.000 -0.970 -1.149) 1.504 10.162 ( 0.000 -2.830 -1.180) 3.067 10.393 ( 0.000 -0.366 -5.087) 5.101 10.436 ( 0.000 2.544 -0.118) 2.547 10.856 ( 0.000 11.323 0.918) 11.360 11.170 ( 0.000 5.078 -1.077) 5.191 11.255 ( 0.000 -3.718 4.095) 5.531 11.483 ( 0.000 -1.021 4.830) 4.937 11.725 ( 0.000 -4.150 -3.063) 5.158 11.982 ( 0.000 0.281 -1.401) 1.429 12.184 ( 0.000 -0.559 -0.177) 0.587 12.884 ( 0.000 3.353 -7.664) 8.365 12.984 ( 0.000 0.468 5.898) 5.917 13.211 ( 0.000 1.478 0.737) 1.652 16.389 ( 0.000 -5.845 7.045) 9.154 16.395 ( -0.000 -4.834 5.011) 6.963 17.038 ( -0.000 -1.710 2.686) 3.184 17.048 ( 0.000 -4.444 -2.917) 5.316 17.337 ( 0.000 -5.140 -3.942) 6.477 17.703 ( 0.000 -3.657 6.222) 7.217 18.106 ( -0.000 -0.007 -8.706) 8.706 18.177 ( -0.000 -0.865 3.303) 3.414 18.200 ( 0.000 -0.472 -0.767) 0.900 18.474 ( 0.000 2.676 4.950) 5.627 18.586 ( 0.000 0.730 -1.522) 1.688 18.869 ( 0.000 3.955 -1.480) 4.223 ======================= Grid point 105 (41/65) ======================= q-point: (-0.38 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( -8.724 -10.222 13.315) 18.919 2.684 ( 1.515 -31.034 -9.310) 32.436 2.814 ( -3.677 -9.885 -0.945) 10.589 2.922 ( -18.988 -6.497 1.479) 20.124 3.537 ( 5.301 2.292 16.104) 17.108 3.717 ( 2.682 8.035 1.646) 8.629 3.948 ( 7.174 8.400 4.584) 11.960 4.042 ( -10.947 -3.693 -0.792) 11.580 4.368 ( 0.423 3.727 -6.363) 7.386 4.374 ( -1.963 5.226 4.177) 6.972 4.507 ( 3.921 -6.717 -5.075) 9.287 4.596 ( 4.238 2.270 5.045) 6.969 4.818 ( 1.108 -2.454 -10.871) 11.200 4.925 ( -3.033 2.391 -10.144) 10.855 4.995 ( 5.497 0.700 -4.734) 7.289 5.269 ( -9.581 0.483 1.716) 9.745 5.482 ( 0.035 3.588 10.421) 11.022 5.807 ( -0.592 1.652 -2.927) 3.413 5.818 ( -5.650 -2.600 1.928) 6.512 5.957 ( -4.367 -4.704 -2.249) 6.801 6.135 ( 8.456 0.832 -9.118) 12.463 6.282 ( -3.253 -5.639 -10.822) 12.630 6.379 ( 2.646 7.354 -11.794) 14.148 6.510 ( 0.263 3.634 -9.454) 10.132 6.754 ( 10.195 -0.973 6.653) 12.213 6.924 ( 6.316 3.986 8.805) 11.546 7.179 ( -4.841 9.214 3.836) 11.093 7.365 ( 0.328 3.176 -1.334) 3.461 7.400 ( 5.004 6.053 12.810) 15.026 7.471 ( -0.210 -3.069 13.538) 13.883 7.931 ( -0.773 -3.012 -6.701) 7.387 8.176 ( -5.820 7.920 6.243) 11.644 8.380 ( -0.470 -3.339 3.031) 4.534 8.507 ( 5.339 0.698 -0.124) 5.386 8.590 ( 7.414 -3.623 -7.216) 10.962 8.813 ( 2.553 -2.429 12.743) 13.221 8.919 ( -3.862 0.670 -2.430) 4.612 9.384 ( -1.805 -4.289 -5.918) 7.528 9.490 ( 0.813 -2.678 -5.900) 6.530 9.785 ( -9.132 2.793 -2.401) 9.847 9.932 ( 5.940 -4.430 2.002) 7.676 10.132 ( 0.749 -3.376 0.002) 3.458 10.370 ( 2.439 2.410 -4.369) 5.554 10.442 ( -2.497 2.920 -0.201) 3.848 10.964 ( -0.089 8.995 2.194) 9.259 11.169 ( 0.034 4.534 -6.148) 7.639 11.266 ( -2.634 -6.202 10.362) 12.361 11.552 ( 2.098 -1.632 6.174) 6.722 11.661 ( 0.722 -1.751 -5.113) 5.453 11.933 ( -2.682 -0.258 -4.261) 5.041 12.206 ( 2.718 -1.444 4.134) 5.154 12.817 ( -1.837 5.634 -8.474) 10.340 13.071 ( -0.652 1.012 8.593) 8.677 13.237 ( 2.670 0.084 -0.962) 2.839 16.380 ( -2.384 -6.702 4.504) 8.420 16.395 ( -1.162 -8.646 4.447) 9.791 16.817 ( -11.977 -3.998 -2.026) 12.788 17.084 ( -3.322 -1.391 -8.438) 9.174 17.280 ( 6.510 -5.933 -0.327) 8.813 17.630 ( -12.549 -3.967 2.540) 13.403 18.039 ( 2.313 0.910 -3.518) 4.308 18.159 ( -0.776 -1.010 -1.770) 2.181 18.282 ( 5.905 0.546 2.064) 6.279 18.512 ( -3.353 2.018 1.853) 4.330 18.626 ( 5.180 0.396 2.116) 5.610 18.880 ( 0.447 2.825 -2.121) 3.561 ======================= Grid point 106 (42/65) ======================= q-point: (-0.25 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( -12.295 -10.588 13.715) 21.246 2.406 ( 9.147 -28.388 -9.862) 31.413 2.497 ( -11.423 -12.615 -16.045) 23.389 2.646 ( -26.740 -6.297 8.090) 28.637 3.661 ( -9.209 3.437 9.757) 13.850 3.812 ( 0.321 2.624 11.032) 11.344 4.032 ( 6.303 6.487 -1.054) 9.106 4.159 ( 4.231 6.170 -10.859) 13.186 4.275 ( 3.671 -2.402 1.159) 4.537 4.434 ( 1.972 -4.189 -7.472) 8.790 4.447 ( -1.483 3.631 6.608) 7.684 4.655 ( -2.806 -2.756 -8.531) 9.394 4.757 ( 9.380 -2.102 0.129) 9.613 4.870 ( 2.517 3.830 -0.886) 4.668 5.035 ( 4.171 -1.151 -0.141) 4.329 5.169 ( -7.824 2.598 -0.578) 8.264 5.614 ( -0.904 0.077 10.832) 10.870 5.698 ( -4.837 -7.151 1.420) 8.749 5.778 ( -2.766 1.780 -3.603) 4.878 5.866 ( -4.166 -3.714 -1.997) 5.928 6.058 ( -1.227 -2.197 -6.386) 6.864 6.183 ( 4.567 3.186 -12.557) 13.736 6.377 ( 3.370 7.539 -1.436) 8.382 6.480 ( 1.586 8.964 -5.924) 10.861 6.993 ( 13.278 -0.381 6.944) 14.989 7.127 ( 7.139 -0.253 6.193) 9.454 7.225 ( -5.437 7.420 4.847) 10.398 7.340 ( -3.026 2.265 -3.057) 4.861 7.553 ( 0.298 -2.625 5.835) 6.405 7.622 ( -0.306 2.283 4.455) 5.015 7.890 ( 4.079 -1.616 4.994) 6.647 8.168 ( -4.617 3.974 -2.080) 6.437 8.367 ( 1.083 -1.810 0.697) 2.222 8.545 ( 0.542 -4.872 -5.671) 7.496 8.668 ( 8.003 4.514 3.614) 9.874 8.834 ( -1.840 4.120 -2.145) 4.996 9.044 ( 4.982 1.230 14.572) 15.449 9.285 ( 1.927 -4.693 -4.515) 6.791 9.397 ( -0.382 -2.663 -7.025) 7.522 9.597 ( -11.644 5.204 -7.497) 14.794 9.992 ( 5.839 -11.467 0.707) 12.887 10.097 ( -5.524 -3.030 1.521) 6.482 10.396 ( 0.070 6.170 0.628) 6.202 10.428 ( 2.273 3.599 -3.909) 5.780 11.017 ( 0.372 0.779 0.861) 1.219 11.107 ( -2.545 0.755 -4.675) 5.376 11.354 ( -0.195 -1.005 12.457) 12.499 11.591 ( 0.948 0.731 -8.703) 8.785 11.640 ( 1.398 -2.139 6.992) 7.445 11.826 ( -3.232 -0.678 -6.038) 6.882 12.344 ( 7.374 -2.205 10.413) 12.949 12.723 ( -4.709 7.040 -9.750) 12.915 13.161 ( -2.056 1.595 8.577) 8.963 13.252 ( 3.734 -1.011 -3.808) 5.428 16.324 ( -6.795 -6.430 5.573) 10.889 16.335 ( 0.383 -9.670 -0.783) 9.709 16.646 ( -4.736 -5.821 -0.211) 7.507 16.851 ( -12.717 0.318 -8.478) 15.287 17.324 ( 9.597 -8.399 -4.210) 13.430 17.442 ( -14.816 -0.647 2.714) 15.076 18.062 ( 1.478 0.021 0.819) 1.690 18.118 ( -0.347 -0.681 -2.588) 2.699 18.387 ( 4.476 0.943 2.676) 5.300 18.491 ( -1.780 2.311 -1.572) 3.314 18.736 ( 4.243 0.081 4.718) 6.346 18.872 ( 0.186 1.937 -3.568) 4.064 ======================= Grid point 107 (43/65) ======================= q-point: (-0.12 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( -5.780 -18.008 -12.223) 22.519 2.031 ( -12.706 -14.010 12.223) 22.519 2.327 ( 6.691 -15.230 -8.641) 18.746 2.327 ( -16.535 -1.821 8.641) 18.746 3.775 ( 4.151 -2.334 -20.785) 21.323 3.775 ( -4.097 2.428 20.785) 21.323 4.131 ( 6.518 0.543 -11.964) 13.635 4.131 ( -2.789 5.916 11.964) 13.635 4.367 ( 1.380 -1.419 -5.840) 6.166 4.367 ( -1.919 0.485 5.840) 6.166 4.529 ( 2.570 -0.091 -6.054) 6.577 4.529 ( -1.364 2.180 6.054) 6.577 4.870 ( 3.020 -2.172 -4.984) 6.219 4.870 ( -3.391 1.529 4.984) 6.219 5.098 ( -0.103 0.695 -4.547) 4.601 5.098 ( 0.653 0.258 4.547) 4.601 5.642 ( -6.436 -1.911 -3.994) 7.812 5.642 ( 1.563 -6.530 3.994) 7.812 5.731 ( 1.589 -2.471 -9.503) 9.947 5.731 ( -2.935 0.140 9.503) 9.947 6.092 ( -3.675 4.042 -7.098) 8.956 6.092 ( 5.338 -1.161 7.098) 8.956 6.540 ( 7.717 7.379 -5.487) 12.005 6.540 ( 2.532 10.373 5.487) 12.005 7.192 ( 1.140 -0.366 -5.654) 5.779 7.192 ( -0.888 0.804 5.654) 5.779 7.259 ( 6.425 -4.035 -2.231) 7.909 7.259 ( -6.707 3.547 2.231) 7.909 7.611 ( -2.877 4.802 -0.892) 5.669 7.611 ( 5.597 -0.091 0.892) 5.669 8.033 ( -2.908 -1.880 -13.470) 13.908 8.033 ( -0.174 -3.458 13.470) 13.908 8.438 ( -1.154 1.812 -8.012) 8.295 8.438 ( 2.146 -0.093 8.012) 8.295 8.835 ( 4.535 2.003 -9.337) 10.571 8.835 ( -0.533 4.929 9.337) 10.571 9.243 ( 0.895 3.463 -6.911) 7.782 9.243 ( 2.552 2.507 6.911) 7.782 9.405 ( -9.799 6.044 -7.641) 13.818 9.405 ( 10.134 -5.464 7.641) 13.818 9.937 ( -7.096 -8.599 -2.681) 11.467 9.937 ( -3.899 -10.445 2.681) 11.467 10.487 ( 7.930 3.935 -4.655) 10.002 10.487 ( -0.557 8.835 4.655) 10.002 11.022 ( -0.789 -3.767 -2.753) 4.732 11.022 ( -2.868 -2.566 2.753) 4.732 11.489 ( 0.815 -0.011 -11.063) 11.093 11.489 ( -0.417 0.700 11.063) 11.093 11.719 ( 1.157 -1.240 -7.479) 7.669 11.719 ( -1.653 0.382 7.479) 7.669 12.575 ( -7.888 7.333 -11.491) 15.749 12.575 ( 10.294 -3.165 11.491) 15.749 13.228 ( 3.547 -1.886 -7.297) 8.330 13.228 ( -3.407 2.129 7.297) 8.330 16.241 ( 1.373 -8.543 -5.490) 10.247 16.241 ( -8.084 -3.082 5.490) 10.247 16.615 ( -2.459 -4.302 -7.992) 9.403 16.615 ( -2.496 -4.280 7.992) 9.403 17.313 ( 8.615 -9.478 -6.264) 14.258 17.313 ( -12.515 2.722 6.264) 14.258 18.085 ( 2.142 -1.769 -3.324) 4.332 18.085 ( -2.603 0.971 3.324) 4.332 18.471 ( 0.378 2.010 -3.253) 3.842 18.471 ( 1.552 1.332 3.253) 3.842 18.836 ( 3.451 -0.538 -7.018) 7.839 18.836 ( -2.192 2.719 7.018) 7.839 ======================= Grid point 114 (44/65) ======================= q-point: (-0.38 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( 0.000 -9.656 -4.522) 10.663 2.242 ( 0.000 -35.414 -14.198) 38.154 2.806 ( 0.000 -7.777 3.596) 8.568 3.197 ( -0.000 -4.018 20.045) 20.444 3.613 ( -0.000 10.186 6.288) 11.971 3.771 ( 0.000 0.009 -3.335) 3.335 4.049 ( -0.000 10.308 7.016) 12.469 4.073 ( 0.000 -6.453 -2.708) 6.998 4.252 ( 0.000 -2.294 -8.972) 9.260 4.332 ( 0.000 -4.598 -9.821) 10.844 4.507 ( -0.000 1.459 7.331) 7.475 4.513 ( 0.000 -4.078 -10.024) 10.822 4.697 ( 0.000 -1.401 -6.364) 6.516 4.860 ( 0.000 0.391 -2.287) 2.320 4.944 ( -0.000 4.226 -1.493) 4.483 5.363 ( -0.000 -0.596 3.472) 3.523 5.611 ( -0.000 -3.873 11.196) 11.847 5.720 ( 0.000 2.338 -15.388) 15.564 5.879 ( 0.000 -0.961 -1.533) 1.810 5.926 ( 0.000 -4.485 2.158) 4.977 5.990 ( 0.000 5.487 -8.263) 9.919 6.224 ( 0.000 -3.991 1.364) 4.217 6.285 ( 0.000 8.455 -10.300) 13.326 6.528 ( -0.000 8.427 0.518) 8.443 6.714 ( -0.000 -0.820 5.401) 5.462 6.983 ( -0.000 0.676 6.469) 6.504 7.321 ( 0.000 4.387 -7.493) 8.683 7.394 ( -0.000 13.507 2.973) 13.830 7.538 ( -0.000 2.209 14.146) 14.317 7.665 ( -0.000 -2.881 20.560) 20.761 7.818 ( 0.000 -2.861 -7.532) 8.057 8.303 ( 0.000 6.534 -11.648) 13.356 8.376 ( 0.000 -13.714 7.831) 15.792 8.436 ( 0.000 7.624 -8.565) 11.467 8.524 ( -0.000 1.460 12.948) 13.030 8.922 ( 0.000 5.338 -4.534) 7.004 8.954 ( -0.000 -2.816 16.935) 17.167 9.265 ( 0.000 -8.164 -6.912) 10.697 9.413 ( 0.000 2.577 -8.601) 8.979 9.851 ( -0.000 -6.268 4.837) 7.917 9.898 ( 0.000 0.409 -2.646) 2.678 10.018 ( 0.000 -1.791 -6.253) 6.505 10.361 ( -0.000 2.785 0.037) 2.786 10.509 ( -0.000 2.730 2.519) 3.715 10.988 ( 0.000 -0.010 -4.309) 4.309 11.129 ( 0.000 5.048 -7.210) 8.802 11.371 ( -0.000 -4.645 12.060) 12.924 11.576 ( -0.000 -2.822 4.229) 5.085 11.591 ( 0.000 1.543 -5.667) 5.873 11.911 ( 0.000 0.016 -3.594) 3.594 12.229 ( -0.000 -2.806 7.988) 8.467 12.785 ( 0.000 7.603 -9.122) 11.875 13.191 ( -0.000 2.150 9.240) 9.487 13.200 ( 0.000 -0.264 -2.432) 2.446 16.316 ( 0.000 -9.641 -2.624) 9.992 16.398 ( 0.000 -11.322 4.853) 12.318 16.869 ( 0.000 -1.863 -8.028) 8.241 16.933 ( 0.000 -2.825 -6.762) 7.328 17.208 ( 0.000 -5.561 -0.858) 5.626 17.747 ( -0.000 -4.040 4.290) 5.893 17.926 ( 0.000 1.877 -7.051) 7.296 18.213 ( -0.000 0.994 0.774) 1.260 18.230 ( -0.000 -0.309 2.095) 2.117 18.530 ( 0.000 0.081 -3.746) 3.746 18.633 ( -0.000 -0.650 5.467) 5.505 18.888 ( -0.000 2.836 -0.400) 2.864 ======================= Grid point 115 (45/65) ======================= q-point: (-0.25 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( 5.376 -34.326 -12.737) 37.005 2.032 ( 3.250 -14.606 -18.081) 23.469 2.690 ( -18.797 -3.611 10.309) 21.740 3.183 ( -29.528 -1.903 14.237) 32.837 3.669 ( 5.580 -5.655 -27.238) 28.373 3.822 ( 2.778 7.130 4.106) 8.684 3.865 ( 9.050 -4.006 -5.778) 11.460 4.150 ( 1.624 2.068 0.256) 2.642 4.254 ( 3.336 1.829 -1.403) 4.055 4.328 ( 3.255 -0.325 9.123) 9.692 4.456 ( 4.874 -3.837 -1.152) 6.310 4.528 ( -1.643 -4.586 -11.038) 12.065 4.612 ( 6.710 -4.150 3.761) 8.740 4.929 ( 0.931 2.070 7.079) 7.434 4.999 ( 2.428 4.544 0.712) 5.201 5.302 ( -10.367 -1.294 0.021) 10.448 5.605 ( 7.513 -3.021 -6.683) 10.499 5.705 ( -0.415 -1.126 4.108) 4.280 5.765 ( -5.911 -2.526 -3.866) 7.501 5.926 ( -2.511 -1.885 3.254) 4.522 6.018 ( 6.535 5.536 -5.924) 10.414 6.120 ( -10.043 2.428 0.363) 10.339 6.357 ( 4.988 5.324 -0.449) 7.310 6.602 ( -3.224 10.035 4.459) 11.444 6.836 ( 7.988 0.202 4.092) 8.977 7.133 ( 7.542 -0.388 8.870) 11.650 7.263 ( 1.992 2.325 -8.059) 8.621 7.417 ( -4.661 5.896 -3.396) 8.247 7.665 ( -8.986 -1.483 1.672) 9.260 7.699 ( -0.514 1.982 5.869) 6.216 7.902 ( 2.954 0.423 9.733) 10.180 8.208 ( -3.163 5.873 -4.356) 7.967 8.363 ( 3.232 -6.491 3.542) 8.070 8.427 ( 2.435 1.759 -5.134) 5.948 8.685 ( 1.298 2.164 5.197) 5.777 8.939 ( -3.727 7.412 5.699) 10.066 9.146 ( 4.397 -6.815 3.582) 8.866 9.156 ( 3.618 0.056 5.618) 6.682 9.314 ( -1.828 3.346 -10.540) 11.209 9.724 ( -12.628 0.896 -4.991) 13.608 9.871 ( 2.931 -7.866 3.422) 9.065 10.069 ( 7.318 -1.996 -1.305) 7.696 10.356 ( -2.198 2.145 -1.740) 3.530 10.541 ( -2.877 3.517 4.120) 6.133 10.931 ( 3.843 -4.303 -5.376) 7.886 11.078 ( 0.316 0.282 -5.238) 5.255 11.411 ( 0.456 -5.081 -0.762) 5.158 11.570 ( -0.546 -1.224 0.308) 1.375 11.615 ( 1.714 3.376 1.810) 4.196 11.864 ( -3.973 1.633 0.498) 4.324 12.351 ( 5.281 -4.196 11.435) 13.276 12.722 ( -2.652 8.262 -10.436) 13.572 13.167 ( 0.895 0.081 -5.015) 5.095 13.302 ( -1.532 3.176 8.338) 9.053 16.190 ( 1.184 -10.045 -7.011) 12.307 16.345 ( 0.734 -13.090 2.778) 13.402 16.656 ( -9.003 -1.865 -7.208) 11.683 16.897 ( -0.078 2.328 -7.668) 8.014 17.126 ( -0.291 -9.920 -1.792) 10.084 17.654 ( -11.776 -0.361 3.083) 12.178 17.957 ( 6.924 -0.385 -2.700) 7.442 18.173 ( -3.769 -0.131 1.954) 4.247 18.334 ( 7.490 1.106 0.947) 7.630 18.483 ( -0.333 0.272 -3.768) 3.792 18.688 ( 3.405 -2.624 1.348) 4.505 18.912 ( -1.332 2.864 2.646) 4.121 ======================= Grid point 123 (46/65) ======================= q-point: (-0.25 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 0.000 -35.657 -8.770) 36.720 1.669 ( 0.000 -15.534 -23.018) 27.769 2.941 ( -0.000 -1.897 13.049) 13.186 3.070 ( 0.000 -17.075 -45.298) 48.409 3.588 ( 0.000 -7.320 -8.242) 11.023 3.742 ( -0.000 1.270 25.335) 25.366 3.880 ( -0.000 7.102 -0.403) 7.113 3.963 ( 0.000 1.107 -18.147) 18.180 4.317 ( 0.000 -3.220 -7.997) 8.621 4.335 ( -0.000 3.461 4.278) 5.503 4.410 ( -0.000 -0.620 4.702) 4.743 4.501 ( -0.000 -1.617 11.353) 11.467 4.549 ( 0.000 -8.325 2.581) 8.716 5.002 ( -0.000 -0.017 4.519) 4.519 5.050 ( -0.000 6.104 2.920) 6.766 5.371 ( 0.000 -3.811 -7.563) 8.469 5.462 ( -0.000 -1.417 4.684) 4.894 5.716 ( 0.000 -5.183 1.248) 5.331 5.733 ( 0.000 -0.960 -5.158) 5.246 5.986 ( -0.000 -2.503 10.266) 10.566 5.992 ( -0.000 10.061 -4.012) 10.832 6.237 ( 0.000 8.720 -6.496) 10.874 6.319 ( -0.000 -4.854 3.580) 6.031 6.691 ( -0.000 3.158 4.148) 5.213 6.987 ( -0.000 11.810 10.973) 16.121 7.113 ( -0.000 1.291 0.238) 1.313 7.197 ( -0.000 -0.911 1.081) 1.413 7.401 ( 0.000 3.846 -9.797) 10.525 7.643 ( 0.000 -1.008 -9.427) 9.481 7.800 ( -0.000 -4.816 10.748) 11.778 8.079 ( -0.000 4.131 5.695) 7.035 8.222 ( -0.000 11.887 -4.145) 12.589 8.282 ( 0.000 6.485 -4.186) 7.718 8.463 ( -0.000 -14.362 18.027) 23.049 8.717 ( -0.000 5.300 -2.647) 5.924 9.004 ( 0.000 -8.064 -3.611) 8.835 9.154 ( -0.000 4.084 8.750) 9.656 9.216 ( -0.000 -3.632 8.487) 9.231 9.259 ( -0.000 13.665 -8.441) 16.061 9.791 ( 0.000 -12.701 5.413) 13.806 9.852 ( 0.000 1.969 -3.793) 4.273 9.966 ( -0.000 4.970 -1.337) 5.146 10.388 ( -0.000 -1.790 1.431) 2.292 10.631 ( -0.000 1.043 5.306) 5.408 10.787 ( 0.000 -4.809 -6.831) 8.354 11.007 ( 0.000 -1.618 -4.124) 4.430 11.316 ( 0.000 -5.705 -6.650) 8.762 11.481 ( 0.000 -5.032 -6.580) 8.283 11.738 ( -0.000 7.282 7.072) 10.151 11.928 ( -0.000 3.343 2.321) 4.070 12.404 ( -0.000 -6.515 11.840) 13.514 12.682 ( 0.000 8.095 -11.503) 14.066 13.104 ( 0.000 2.730 -8.196) 8.639 13.430 ( -0.000 4.274 7.097) 8.285 16.005 ( 0.000 -9.123 -10.498) 13.908 16.223 ( 0.000 -14.921 -1.473) 14.994 16.639 ( 0.000 -0.488 -10.854) 10.865 16.777 ( 0.000 -0.040 -4.298) 4.298 17.087 ( 0.000 -6.198 -1.606) 6.402 17.794 ( -0.000 -2.446 4.353) 4.993 17.858 ( 0.000 2.289 -2.550) 3.427 18.237 ( -0.000 -0.839 1.066) 1.357 18.252 ( 0.000 -0.270 -0.348) 0.441 18.437 ( 0.000 -0.552 -3.812) 3.852 18.663 ( 0.000 -2.599 1.414) 2.958 18.980 ( -0.000 1.808 4.597) 4.940 ======================= Grid point 152 (47/65) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.399 ( -0.000 0.000 32.742) 32.742 2.399 ( -0.000 0.000 32.742) 32.742 3.066 ( 0.000 -0.000 -18.758) 18.758 3.291 ( 0.000 -0.000 5.669) 5.669 3.291 ( -0.000 0.000 5.669) 5.669 3.698 ( 0.000 -0.000 -10.301) 10.301 3.926 ( 0.000 -0.000 -17.770) 17.770 4.203 ( 0.000 -0.000 -5.426) 5.426 4.203 ( 0.000 -0.000 -5.426) 5.426 4.211 ( -0.000 0.000 35.157) 35.157 4.522 ( -0.000 -0.000 1.300) 1.300 4.522 ( -0.000 0.000 1.300) 1.300 4.599 ( -0.000 0.000 13.739) 13.739 4.599 ( -0.000 0.000 13.739) 13.739 4.913 ( -0.000 0.000 2.156) 2.156 5.127 ( 0.000 -0.000 -2.932) 2.932 5.127 ( 0.000 -0.000 -2.932) 2.932 5.579 ( 0.000 -0.000 -8.444) 8.444 5.899 ( -0.000 0.000 14.741) 14.741 6.381 ( 0.000 -0.000 -2.291) 2.291 6.381 ( 0.000 -0.000 -2.291) 2.291 6.415 ( -0.000 0.000 9.155) 9.155 6.543 ( 0.000 -0.000 -5.538) 5.538 6.543 ( 0.000 -0.000 -5.538) 5.538 6.951 ( -0.000 0.000 7.968) 7.968 6.956 ( 0.000 -0.000 -5.606) 5.606 6.956 ( 0.000 -0.000 -5.606) 5.606 7.294 ( 0.000 -0.000 -13.137) 13.137 7.294 ( 0.000 -0.000 -13.137) 13.137 7.905 ( 0.000 -0.000 -20.809) 20.809 7.905 ( 0.000 -0.000 -20.809) 20.809 7.973 ( -0.000 0.000 10.943) 10.943 7.979 ( -0.000 0.000 7.942) 7.942 8.766 ( 0.000 -0.000 -4.729) 4.729 8.768 ( -0.000 0.000 2.296) 2.296 8.768 ( -0.000 0.000 2.296) 2.296 9.226 ( 0.000 -0.000 1.168) 1.168 9.226 ( -0.000 0.000 1.168) 1.168 9.296 ( -0.000 0.000 11.510) 11.510 10.003 ( -0.000 -0.000 2.338) 2.338 10.003 ( -0.000 0.000 2.338) 2.338 10.268 ( 0.000 -0.000 -4.988) 4.988 10.550 ( 0.000 -0.000 -4.411) 4.411 10.550 ( 0.000 -0.000 -4.411) 4.411 10.584 ( -0.000 0.000 6.279) 6.279 10.584 ( -0.000 0.000 6.279) 6.279 11.434 ( 0.000 -0.000 -2.034) 2.034 11.434 ( 0.000 -0.000 -2.034) 2.034 11.932 ( -0.000 -0.000 0.298) 0.298 11.932 ( -0.000 0.000 0.298) 0.298 12.045 ( -0.000 0.000 6.486) 6.486 12.861 ( -0.000 0.000 5.188) 5.188 13.118 ( 0.000 -0.000 -12.876) 12.876 13.305 ( 0.000 -0.000 -10.231) 10.231 16.187 ( -0.000 0.000 9.995) 9.995 16.187 ( -0.000 0.000 9.995) 9.995 16.831 ( -0.000 0.000 6.214) 6.214 17.277 ( -0.000 0.000 8.675) 8.675 17.277 ( -0.000 0.000 8.675) 8.675 17.800 ( 0.000 0.000 1.631) 1.631 17.800 ( 0.000 0.000 1.631) 1.631 18.417 ( 0.000 -0.000 -4.178) 4.178 18.463 ( 0.000 -0.000 3.039) 3.039 18.463 ( -0.000 0.000 3.039) 3.039 18.519 ( -0.000 0.000 2.751) 2.751 18.554 ( 0.000 -0.000 -8.865) 8.865 ======================= Grid point 153 (48/65) ======================= q-point: ( 0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( -6.218 -3.590 24.337) 25.374 2.730 ( -6.375 -3.681 18.788) 20.178 2.849 ( -4.521 -2.610 7.049) 8.771 2.944 ( -25.862 -14.932 7.230) 30.726 3.665 ( 15.799 9.122 4.181) 18.716 3.695 ( 11.861 6.848 -11.460) 17.858 3.760 ( 4.394 2.537 -15.861) 16.653 4.094 ( -4.181 -2.414 -5.386) 7.233 4.119 ( -2.223 -1.284 -4.217) 4.937 4.471 ( -1.023 -0.590 0.522) 1.291 4.572 ( -0.229 -0.132 0.330) 0.423 4.677 ( -4.416 -2.549 12.048) 13.083 4.692 ( 9.368 5.408 23.784) 26.129 4.783 ( -1.777 -1.026 10.152) 10.358 4.858 ( -1.553 -0.897 2.144) 2.796 4.980 ( -2.257 -1.303 -4.461) 5.166 5.417 ( -8.163 -4.713 -8.108) 12.433 5.450 ( 21.879 12.632 1.611) 25.315 6.023 ( -4.015 -2.318 10.778) 11.733 6.229 ( -4.636 -2.676 -0.453) 5.372 6.327 ( -9.963 -5.752 -3.267) 11.960 6.477 ( 2.621 1.513 2.593) 3.986 6.532 ( 7.298 4.214 -3.211) 9.018 6.571 ( 3.971 2.293 -5.642) 7.271 6.778 ( -1.367 -0.789 -7.901) 8.057 6.974 ( -0.744 -0.429 6.536) 6.593 7.041 ( -5.564 -3.213 -13.484) 14.936 7.112 ( 8.540 4.931 -2.360) 10.140 7.305 ( 6.770 3.909 -6.149) 9.946 7.509 ( -10.001 -5.774 -15.769) 19.545 7.816 ( 5.929 3.423 -19.940) 21.082 8.057 ( 1.381 0.798 3.508) 3.854 8.142 ( 2.574 1.486 14.064) 14.375 8.708 ( -2.897 -1.672 0.243) 3.354 8.734 ( -1.584 -0.914 -4.875) 5.207 8.782 ( 1.177 0.680 -3.181) 3.459 9.188 ( -2.700 -1.559 5.572) 6.385 9.330 ( 2.107 1.217 6.258) 6.715 9.413 ( -0.079 -0.046 6.954) 6.954 9.932 ( -4.263 -2.461 3.129) 5.833 10.049 ( -6.453 -3.726 -3.734) 8.335 10.140 ( -0.746 -0.431 -0.563) 1.029 10.527 ( 2.047 1.182 -4.073) 4.709 10.535 ( 2.203 1.272 -4.702) 5.345 10.600 ( 3.087 1.782 1.037) 3.713 10.778 ( 7.229 4.174 4.824) 9.641 11.349 ( -3.849 -2.222 -2.295) 5.002 11.451 ( 2.233 1.289 -2.050) 3.294 11.918 ( -1.694 -0.978 0.996) 2.195 11.937 ( -1.402 -0.810 2.263) 2.782 12.128 ( 0.275 0.159 5.532) 5.542 12.928 ( 1.974 1.140 1.764) 2.883 12.994 ( -0.072 -0.042 -8.251) 8.251 13.191 ( 0.088 0.051 -7.637) 7.638 16.282 ( -2.123 -1.226 9.582) 9.891 16.308 ( 0.078 0.045 11.045) 11.045 16.863 ( -6.164 -3.559 6.290) 9.498 17.288 ( -0.229 -0.132 7.234) 7.239 17.453 ( 3.138 1.812 5.669) 6.728 17.628 ( -13.306 -7.682 3.269) 15.708 17.985 ( 7.224 4.171 5.257) 9.860 18.254 ( -11.775 -6.798 -2.269) 13.784 18.377 ( 0.359 0.207 -3.076) 3.104 18.527 ( 3.223 1.861 -8.038) 8.858 18.548 ( 1.035 0.597 2.054) 2.376 18.645 ( 8.597 4.963 1.652) 10.063 ======================= Grid point 154 (49/65) ======================= q-point: (-0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.445 ( -26.547 -15.327 4.406) 30.969 2.507 ( -18.705 -10.800 7.539) 22.877 2.913 ( -3.951 -2.281 22.295) 22.756 3.177 ( 0.732 0.423 32.312) 32.323 3.643 ( 3.326 1.920 -12.875) 13.436 3.821 ( 12.069 6.968 -6.191) 15.249 3.897 ( -13.349 -7.707 -3.352) 15.774 3.972 ( 10.970 6.333 -0.765) 12.690 4.017 ( -1.702 -0.983 -7.798) 8.042 4.480 ( 0.909 0.525 0.267) 1.083 4.503 ( -5.966 -3.444 -1.788) 7.117 4.708 ( -2.897 -1.673 4.655) 5.733 4.784 ( 0.529 0.306 2.113) 2.200 4.904 ( 1.027 0.593 1.025) 1.567 4.932 ( 4.297 2.481 -5.650) 7.519 5.047 ( 5.350 3.089 10.621) 12.287 5.187 ( -6.699 -3.868 -3.404) 8.451 5.818 ( 13.454 7.768 3.089) 15.840 5.982 ( -6.460 -3.730 0.751) 7.497 6.123 ( -9.075 -5.240 0.509) 10.492 6.155 ( -6.682 -3.858 0.920) 7.771 6.541 ( 3.717 2.146 -9.066) 10.031 6.584 ( 6.941 4.008 -2.286) 8.335 6.648 ( 8.595 4.962 1.628) 10.057 6.777 ( 8.420 4.861 -6.878) 11.909 6.793 ( -5.006 -2.890 -15.715) 16.744 7.038 ( -3.411 -1.969 8.722) 9.570 7.218 ( 7.696 4.443 -3.044) 9.394 7.279 ( -4.557 -2.631 3.804) 6.493 7.376 ( 6.938 4.006 -3.938) 8.927 7.704 ( 3.274 1.890 -12.208) 12.780 8.103 ( 2.239 1.293 -1.586) 3.033 8.347 ( 1.576 0.910 14.192) 14.309 8.608 ( -3.346 -1.932 -8.988) 9.783 8.673 ( -0.687 -0.397 1.650) 1.831 8.798 ( 3.676 2.123 -1.462) 4.490 9.214 ( -2.483 -1.434 6.431) 7.041 9.435 ( -1.305 -0.753 0.701) 1.661 9.455 ( 2.208 1.275 6.688) 7.157 9.825 ( -9.791 -5.653 -5.018) 12.369 9.912 ( -1.708 -0.986 1.633) 2.560 10.152 ( -1.632 -0.942 2.836) 3.405 10.516 ( 3.162 1.825 -7.071) 7.958 10.539 ( 2.626 1.516 -1.538) 3.400 10.661 ( 4.324 2.497 -2.818) 5.733 10.940 ( 6.350 3.666 1.542) 7.493 11.265 ( -4.449 -2.569 1.631) 5.390 11.473 ( 0.036 0.021 2.081) 2.082 11.882 ( -2.251 -1.299 -1.337) 2.923 11.935 ( -0.347 -0.200 0.060) 0.405 12.165 ( -0.865 -0.500 3.033) 3.194 12.912 ( -0.344 -0.198 -7.310) 7.321 12.944 ( -0.025 -0.014 -0.467) 0.468 13.197 ( 4.623 2.669 0.644) 5.377 16.311 ( -6.371 -3.678 8.672) 11.372 16.426 ( -0.748 -0.432 10.703) 10.738 16.750 ( -11.554 -6.670 4.757) 14.164 17.323 ( -13.545 -7.820 -6.085) 16.783 17.434 ( 6.081 3.511 7.048) 9.949 17.562 ( -7.467 -4.311 10.930) 13.922 18.038 ( -6.805 -3.929 -4.533) 9.072 18.152 ( 3.730 2.153 5.961) 7.354 18.364 ( 0.398 0.230 -0.551) 0.718 18.467 ( 1.031 0.595 -9.040) 9.118 18.600 ( 2.472 1.427 1.657) 3.300 18.799 ( 7.757 4.478 -0.789) 8.991 ======================= Grid point 155 (50/65) ======================= q-point: (-0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( -25.406 -14.668 9.102) 30.716 2.295 ( -22.294 -12.871 18.763) 31.855 3.088 ( 0.997 0.576 11.079) 11.139 3.350 ( -20.225 -11.677 -0.375) 23.357 3.587 ( -4.186 -2.417 12.593) 13.489 3.621 ( -4.461 -2.575 7.670) 9.239 3.837 ( -7.049 -4.070 -1.136) 8.218 4.003 ( 10.299 5.946 -7.123) 13.863 4.109 ( 8.863 5.117 -3.494) 10.814 4.365 ( -1.940 -1.120 -8.225) 8.524 4.484 ( 0.136 0.078 -1.835) 1.842 4.692 ( -1.285 -0.742 0.471) 1.557 4.799 ( -3.538 -2.042 1.236) 4.268 4.910 ( 3.106 1.793 -3.559) 5.053 5.010 ( 6.494 3.749 -7.741) 10.777 5.158 ( 6.539 3.775 3.215) 8.206 5.191 ( 3.492 2.016 4.717) 6.205 5.856 ( -6.256 -3.612 -0.033) 7.224 5.902 ( -2.924 -1.688 -1.972) 3.910 6.009 ( -7.003 -4.043 -2.705) 8.526 6.101 ( 1.074 0.620 4.613) 4.777 6.445 ( -5.042 -2.911 -17.923) 18.845 6.596 ( 5.548 3.203 -6.545) 9.159 6.612 ( 2.407 1.390 -7.897) 8.372 6.848 ( 7.135 4.120 -6.171) 10.294 6.870 ( 6.856 3.958 8.250) 11.434 7.021 ( -3.733 -2.155 4.088) 5.941 7.344 ( 5.928 3.423 1.287) 6.966 7.442 ( 7.005 4.044 -7.647) 11.131 7.452 ( 6.458 3.728 19.002) 20.412 7.732 ( 6.537 3.774 3.630) 8.376 8.091 ( 1.674 0.967 -7.356) 7.605 8.434 ( -3.287 -1.898 -10.418) 11.088 8.503 ( 0.658 0.380 10.480) 10.508 8.749 ( 4.782 2.761 5.027) 7.467 8.874 ( 3.720 2.148 2.903) 5.185 9.238 ( -0.768 -0.443 2.641) 2.786 9.324 ( -5.156 -2.977 -13.796) 15.026 9.470 ( -5.170 -2.985 -2.054) 6.313 9.729 ( 1.016 0.587 7.132) 7.228 9.884 ( -1.835 -1.060 -1.090) 2.383 10.128 ( -4.000 -2.309 1.187) 4.769 10.478 ( 1.791 1.034 -7.301) 7.588 10.607 ( 3.143 1.815 4.170) 5.529 10.687 ( 3.580 2.067 -5.278) 6.704 11.015 ( 1.747 1.009 -1.607) 2.580 11.252 ( -2.107 -1.216 7.045) 7.453 11.491 ( -3.711 -2.143 6.670) 7.928 11.812 ( -1.527 -0.882 -4.603) 4.929 11.922 ( 1.461 0.844 -4.119) 4.452 12.211 ( 1.074 0.620 7.062) 7.170 12.791 ( -1.900 -1.097 -9.821) 10.064 12.969 ( -0.568 -0.328 4.931) 4.975 13.310 ( 6.097 3.520 0.485) 7.057 16.236 ( -12.039 -6.951 7.655) 15.870 16.512 ( -2.859 -1.651 9.629) 10.179 16.618 ( -8.584 -4.956 5.835) 11.502 16.983 ( -15.133 -8.737 -6.324) 18.583 17.453 ( -12.747 -7.359 3.447) 15.117 17.622 ( 6.258 3.613 5.471) 9.063 17.930 ( -1.554 -0.897 -2.670) 3.217 18.243 ( 0.423 0.244 3.741) 3.773 18.367 ( -0.766 -0.442 -3.196) 3.316 18.382 ( 0.526 0.304 -3.256) 3.312 18.664 ( 2.079 1.200 1.704) 2.943 18.904 ( 6.473 3.737 -3.109) 8.095 ======================= Grid point 156 (51/65) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( -20.802 -12.010 15.779) 28.739 1.980 ( -32.871 -18.978 6.681) 38.540 2.979 ( -22.295 -12.872 23.263) 34.698 3.116 ( -0.749 -0.432 -8.753) 8.796 3.582 ( -2.353 -1.359 4.984) 5.677 3.775 ( -3.505 -2.024 11.524) 12.214 3.782 ( 0.050 0.029 10.486) 10.486 3.996 ( -0.835 -0.482 -12.432) 12.469 4.239 ( 3.963 2.288 4.487) 6.409 4.306 ( 6.634 3.830 -8.709) 11.598 4.454 ( -0.081 -0.047 -2.905) 2.906 4.640 ( -1.590 -0.918 -6.794) 7.037 4.698 ( -6.770 -3.909 -0.956) 7.875 4.955 ( 5.989 3.458 -2.327) 7.296 4.997 ( 2.716 1.568 -3.998) 5.081 5.310 ( 1.770 1.022 6.461) 6.777 5.394 ( 11.376 6.568 1.264) 13.197 5.783 ( -3.390 -1.957 0.011) 3.914 5.814 ( -4.265 -2.462 -1.487) 5.144 5.894 ( -2.473 -1.428 0.469) 2.894 6.105 ( -0.585 -0.337 -5.286) 5.329 6.182 ( -2.825 -1.631 -8.431) 9.040 6.484 ( -5.918 -3.417 -6.945) 9.743 6.662 ( 5.962 3.442 -4.234) 8.082 6.911 ( 8.836 5.102 -7.616) 12.732 7.009 ( 2.182 1.260 6.334) 6.816 7.126 ( 4.960 2.864 7.750) 9.637 7.372 ( 1.053 0.608 -6.548) 6.660 7.521 ( 1.940 1.120 8.384) 8.678 7.830 ( 9.305 5.372 19.004) 21.831 7.970 ( 11.909 6.875 4.954) 14.616 7.991 ( -1.523 -0.879 -10.485) 10.631 8.279 ( 0.528 0.305 -11.574) 11.590 8.613 ( 1.345 0.777 6.567) 6.748 8.941 ( 9.161 5.289 3.250) 11.066 8.947 ( -12.113 -6.993 -21.945) 26.023 8.993 ( 1.329 0.767 12.248) 12.344 9.225 ( 1.291 0.745 -6.693) 6.857 9.352 ( -3.916 -2.261 -4.584) 6.438 9.837 ( -1.847 -1.066 0.022) 2.133 9.862 ( 4.444 2.566 3.986) 6.498 10.016 ( -7.501 -4.331 -3.301) 9.270 10.429 ( 0.206 0.119 -4.224) 4.231 10.672 ( 2.095 1.210 -6.346) 6.791 10.724 ( 1.320 0.762 7.924) 8.069 11.001 ( -1.208 -0.698 0.308) 1.429 11.307 ( -2.712 -1.566 8.232) 8.808 11.489 ( -5.302 -3.061 7.781) 9.901 11.743 ( 2.018 1.165 -7.343) 7.704 11.910 ( 2.169 1.252 -3.108) 3.992 12.392 ( 6.389 3.688 13.213) 15.132 12.623 ( -3.874 -2.237 -11.214) 12.073 13.021 ( -1.170 -0.675 7.007) 7.136 13.403 ( 5.366 3.098 -2.911) 6.846 16.089 ( -12.843 -7.415 8.501) 17.093 16.464 ( -13.630 -7.870 3.767) 16.184 16.580 ( -4.702 -2.715 8.409) 10.009 16.748 ( -2.942 -1.699 -0.287) 3.409 17.242 ( -11.410 -6.588 -0.045) 13.175 17.769 ( 4.342 2.507 3.507) 6.119 17.874 ( -1.761 -1.016 -3.161) 3.759 18.261 ( -0.885 -0.511 0.970) 1.409 18.286 ( -1.203 -0.694 -4.385) 4.599 18.403 ( 0.018 0.010 2.786) 2.786 18.694 ( -0.430 -0.249 0.566) 0.753 18.967 ( 4.902 2.830 -4.111) 6.995 ======================= Grid point 161 (52/65) ======================= q-point: ( 0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.728 ( 0.000 -18.157 6.189) 19.183 2.956 ( -0.000 -4.798 12.390) 13.286 3.075 ( -0.000 -6.224 31.241) 31.855 3.265 ( -0.000 -8.496 12.868) 15.420 3.363 ( 0.000 3.278 -6.857) 7.600 3.573 ( 0.000 4.992 -14.880) 15.695 3.751 ( -0.000 12.167 0.156) 12.168 4.054 ( 0.000 1.429 -4.326) 4.555 4.106 ( 0.000 2.728 -3.476) 4.419 4.389 ( 0.000 -12.888 0.846) 12.916 4.650 ( -0.000 5.468 2.703) 6.100 4.663 ( 0.000 -13.733 0.828) 13.758 4.855 ( -0.000 0.092 4.948) 4.949 4.907 ( -0.000 1.441 3.508) 3.792 4.916 ( -0.000 5.782 10.098) 11.637 5.160 ( -0.000 9.783 1.373) 9.879 5.319 ( -0.000 5.908 -0.776) 5.959 5.409 ( -0.000 10.009 -2.605) 10.343 6.137 ( 0.000 -11.236 -2.632) 11.540 6.205 ( -0.000 0.039 11.782) 11.782 6.301 ( 0.000 -7.184 -3.435) 7.963 6.469 ( 0.000 1.090 -8.405) 8.476 6.479 ( -0.000 10.095 -4.384) 11.006 6.498 ( 0.000 -1.374 -1.801) 2.265 6.639 ( 0.000 -5.711 -8.569) 10.298 6.882 ( 0.000 -10.222 -10.033) 14.323 7.020 ( -0.000 14.194 -5.693) 15.294 7.166 ( -0.000 -0.367 9.724) 9.731 7.222 ( 0.000 11.345 -12.099) 16.586 7.386 ( 0.000 -8.043 -5.722) 9.871 7.643 ( 0.000 6.726 -7.782) 10.286 8.075 ( -0.000 1.229 -0.598) 1.366 8.320 ( -0.000 -1.715 19.810) 19.884 8.654 ( 0.000 -0.902 -9.127) 9.171 8.717 ( 0.000 3.516 -9.444) 10.077 8.729 ( -0.000 -5.022 3.931) 6.378 9.214 ( -0.000 -10.904 9.862) 14.702 9.464 ( -0.000 8.717 7.715) 11.641 9.469 ( -0.000 0.433 0.937) 1.032 9.907 ( 0.000 -10.438 0.350) 10.444 10.048 ( 0.000 -3.966 -4.695) 6.146 10.150 ( -0.000 5.045 1.502) 5.264 10.408 ( 0.000 -1.220 -4.993) 5.140 10.547 ( -0.000 9.461 -4.918) 10.663 10.563 ( 0.000 -6.414 -0.449) 6.430 10.840 ( -0.000 11.960 0.795) 11.986 11.354 ( 0.000 -3.733 1.916) 4.196 11.440 ( -0.000 1.263 2.230) 2.563 11.907 ( 0.000 -4.152 -0.588) 4.193 11.967 ( -0.000 0.718 0.449) 0.847 12.176 ( -0.000 0.142 2.141) 2.146 12.905 ( 0.000 1.561 -6.646) 6.827 12.943 ( 0.000 0.237 -0.737) 0.774 13.134 ( 0.000 1.564 -1.418) 2.111 16.413 ( -0.000 -2.146 11.157) 11.361 16.423 ( -0.000 -2.338 11.791) 12.021 16.993 ( -0.000 -1.063 8.546) 8.612 17.270 ( 0.000 -8.306 1.428) 8.428 17.501 ( -0.000 5.180 -2.678) 5.831 17.732 ( -0.000 -10.315 10.331) 14.599 18.040 ( -0.000 6.003 7.530) 9.630 18.267 ( 0.000 -0.666 -11.816) 11.835 18.351 ( 0.000 -8.192 -0.905) 8.242 18.374 ( 0.000 -0.308 -0.007) 0.308 18.562 ( -0.000 0.970 0.078) 0.973 18.665 ( -0.000 10.316 -1.189) 10.385 ======================= Grid point 162 (53/65) ======================= q-point: (-0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.601 ( -11.374 -21.674 11.115) 26.883 2.887 ( -20.133 -4.202 12.214) 23.920 3.110 ( -4.795 -5.666 5.650) 9.328 3.408 ( 1.417 -1.500 14.661) 14.806 3.538 ( 7.946 1.854 3.023) 8.701 3.591 ( 13.180 -0.065 0.620) 13.195 3.801 ( 8.178 -10.428 -1.833) 13.379 4.027 ( -7.507 7.383 -1.109) 10.588 4.088 ( -6.044 7.137 1.800) 9.524 4.315 ( 3.010 -8.417 -3.301) 9.529 4.572 ( -0.011 -4.060 -3.055) 5.081 4.704 ( 1.458 -1.150 2.278) 2.939 4.866 ( -0.783 -0.336 -0.811) 1.176 4.896 ( -2.559 3.581 -5.041) 6.692 5.024 ( -3.955 6.591 -1.852) 7.906 5.089 ( -8.668 7.673 1.895) 11.730 5.245 ( -6.128 0.242 0.088) 6.133 5.705 ( 15.424 8.960 0.914) 17.861 6.014 ( -2.720 -8.007 -0.480) 8.470 6.171 ( -6.874 -5.925 -1.341) 9.174 6.259 ( -6.401 3.936 -0.383) 7.524 6.372 ( 1.643 -5.958 -8.492) 10.503 6.463 ( 5.983 3.006 -5.594) 8.725 6.555 ( 7.773 -0.087 -2.172) 8.071 6.646 ( 2.324 -0.706 -7.651) 8.027 6.691 ( 5.138 4.337 -3.527) 7.593 7.053 ( 0.306 7.322 -8.600) 11.299 7.188 ( 6.646 10.004 -10.944) 16.249 7.265 ( 0.672 -3.709 9.508) 10.228 7.374 ( -0.133 -1.828 10.971) 11.123 7.706 ( -0.528 8.997 6.121) 10.895 8.058 ( 0.535 1.117 -4.995) 5.146 8.474 ( -0.999 -4.887 0.326) 4.999 8.565 ( -2.049 -0.818 7.441) 7.761 8.643 ( 2.607 3.441 -8.676) 9.691 8.764 ( 2.430 -2.368 5.388) 6.367 9.224 ( 0.556 -14.062 6.346) 15.438 9.435 ( -2.109 0.959 -4.075) 4.688 9.601 ( -3.307 7.072 7.989) 11.170 9.805 ( -2.093 -8.845 -3.942) 9.907 9.944 ( -4.265 -1.259 -0.923) 4.542 10.201 ( -0.245 2.018 1.821) 2.729 10.367 ( 2.886 -1.423 -5.561) 6.425 10.516 ( 4.175 -3.173 -4.460) 6.885 10.601 ( 1.490 9.457 -1.112) 9.638 10.939 ( 2.444 11.314 -2.936) 11.941 11.342 ( -3.606 -3.912 6.444) 8.356 11.512 ( 1.600 -0.086 6.534) 6.728 11.844 ( -0.546 -5.073 -3.317) 6.086 11.950 ( -2.262 0.995 -1.991) 3.174 12.190 ( 0.594 0.322 0.983) 1.193 12.811 ( -0.012 2.115 -11.531) 11.724 12.974 ( 0.005 0.261 5.241) 5.247 13.180 ( 2.852 2.499 1.728) 4.167 16.473 ( -4.905 -4.704 11.011) 12.939 16.536 ( 0.236 -4.652 11.447) 12.359 16.936 ( -13.504 -4.496 4.625) 14.965 17.288 ( 2.810 -6.009 -4.299) 7.905 17.432 ( -0.068 -1.748 -0.402) 1.795 17.748 ( -7.266 -5.566 9.523) 13.208 18.046 ( -6.622 -1.372 -7.014) 9.742 18.201 ( 2.779 2.212 6.037) 7.005 18.319 ( 4.374 -3.613 -5.473) 7.882 18.388 ( -0.976 1.865 1.590) 2.638 18.585 ( 2.890 1.590 -0.482) 3.333 18.746 ( 3.784 7.297 -2.294) 8.534 ======================= Grid point 163 (54/65) ======================= q-point: (-0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.349 ( -20.859 -15.746 12.094) 28.798 2.752 ( -22.987 -10.201 20.800) 32.636 3.043 ( 3.238 -10.212 -6.803) 12.690 3.437 ( -1.892 -0.736 -4.004) 4.489 3.611 ( -4.715 -13.813 4.590) 15.301 3.698 ( 4.024 -14.798 10.013) 18.315 3.889 ( -3.622 3.262 -6.215) 7.899 3.962 ( 11.977 1.928 5.646) 13.381 4.110 ( -7.497 8.682 13.977) 18.081 4.274 ( 0.025 3.560 -6.227) 7.173 4.553 ( 0.576 3.316 -3.604) 4.931 4.726 ( 0.342 -0.004 -1.362) 1.405 4.760 ( -5.745 -0.053 -9.858) 11.410 4.846 ( 5.628 3.580 -8.382) 10.712 4.945 ( -8.612 8.042 0.311) 11.787 5.129 ( 7.183 -1.413 -0.636) 7.348 5.280 ( -2.336 8.025 9.985) 13.021 5.852 ( 3.926 -0.832 -0.996) 4.135 5.899 ( -5.144 -4.868 -1.488) 7.237 6.018 ( -5.026 -6.851 -0.730) 8.528 6.179 ( -6.155 1.222 -3.627) 7.248 6.313 ( 0.650 0.160 -9.660) 9.683 6.386 ( 4.910 -5.588 -10.868) 13.170 6.488 ( 4.727 2.578 -10.434) 11.741 6.747 ( 6.480 4.245 2.932) 8.283 6.937 ( 9.903 10.455 5.522) 15.423 7.007 ( 1.089 4.885 -5.003) 7.076 7.248 ( 8.066 7.183 -9.192) 14.183 7.413 ( 2.317 -1.519 14.076) 14.346 7.557 ( 5.516 -2.119 17.709) 18.669 7.858 ( -1.136 7.675 8.903) 11.810 7.998 ( -0.093 2.795 -7.414) 7.924 8.328 ( -2.427 1.109 -12.483) 12.765 8.622 ( 3.796 -0.884 2.483) 4.621 8.684 ( 2.630 0.276 1.396) 2.991 8.898 ( 4.331 0.035 11.290) 12.092 9.105 ( -2.904 -15.684 -5.284) 16.804 9.370 ( -3.138 0.704 -1.997) 3.786 9.554 ( -13.234 1.904 -4.454) 14.092 9.690 ( 3.227 -8.825 -0.979) 9.447 9.955 ( -1.293 6.026 4.563) 7.669 10.200 ( -4.870 0.923 1.274) 5.118 10.329 ( 3.938 -4.005 -5.264) 7.698 10.514 ( 7.882 -2.690 -6.902) 10.816 10.716 ( 0.679 10.685 4.537) 11.628 11.007 ( 1.872 7.962 -3.784) 9.012 11.352 ( -2.781 -3.612 8.660) 9.787 11.599 ( -1.091 -1.680 8.237) 8.477 11.748 ( -0.714 -4.035 -5.535) 6.887 11.888 ( -1.865 1.129 -4.385) 4.897 12.257 ( 3.677 0.930 6.310) 7.362 12.689 ( -1.157 2.643 -12.324) 12.657 13.045 ( -0.560 0.339 6.932) 6.963 13.260 ( 4.560 2.142 -0.451) 5.058 16.442 ( -10.838 -6.904 9.681) 16.089 16.602 ( -0.558 -8.287 9.460) 12.589 16.777 ( -9.714 -3.731 4.053) 11.167 17.043 ( -13.343 -5.597 -8.514) 16.788 17.533 ( 4.276 -6.242 2.615) 8.005 17.601 ( -7.506 -5.856 -0.170) 9.521 17.962 ( -3.559 3.129 0.378) 4.754 18.238 ( 3.021 -2.595 -5.202) 6.551 18.332 ( 0.006 1.820 3.101) 3.596 18.401 ( -1.404 1.186 1.542) 2.399 18.658 ( 3.852 2.099 1.595) 4.668 18.815 ( 4.843 4.743 -4.025) 7.884 ======================= Grid point 164 (55/65) ======================= q-point: (-0.25 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( -20.110 -10.006 15.217) 27.131 2.399 ( -37.487 -16.787 7.845) 41.817 2.888 ( 5.356 -16.029 -12.485) 21.012 3.316 ( 5.070 -21.636 -0.108) 22.223 3.526 ( -9.276 -7.321 19.083) 22.445 3.782 ( 2.063 -0.414 7.156) 7.459 3.845 ( -0.995 8.185 -8.762) 12.031 4.128 ( 9.664 4.788 -5.874) 12.280 4.202 ( -10.993 7.812 5.315) 14.496 4.347 ( 2.779 1.350 14.196) 14.528 4.518 ( -8.954 1.865 -8.526) 12.504 4.526 ( -0.459 1.547 -4.998) 5.252 4.718 ( -1.755 0.464 -4.852) 5.181 4.893 ( 7.580 4.293 -5.305) 10.199 4.935 ( -0.690 7.415 -1.031) 7.518 5.246 ( 9.394 -5.348 3.295) 11.301 5.469 ( 0.351 8.173 11.801) 14.359 5.782 ( -2.825 -3.408 -3.511) 5.650 5.855 ( -5.144 -2.974 3.209) 6.752 5.928 ( -0.750 -0.796 0.101) 1.098 6.027 ( -2.714 -4.955 -5.871) 8.148 6.149 ( -3.218 0.231 -7.241) 7.927 6.378 ( 2.840 -1.321 -9.204) 9.722 6.482 ( 13.080 0.729 -7.168) 14.933 6.850 ( -2.387 7.454 0.624) 7.851 7.093 ( 3.959 5.611 5.713) 8.933 7.151 ( 3.367 11.611 -1.349) 12.164 7.304 ( 6.488 -0.709 -1.700) 6.744 7.580 ( 3.939 -1.600 9.734) 10.622 7.804 ( 5.659 -9.226 2.721) 11.160 7.869 ( 1.532 4.216 0.552) 4.519 8.078 ( 5.481 4.189 4.407) 8.186 8.211 ( -3.541 12.133 -4.201) 13.319 8.694 ( -2.126 -2.910 4.900) 6.083 8.729 ( 6.459 -4.824 -12.732) 15.070 8.829 ( -1.165 -2.754 -7.231) 7.825 9.102 ( 4.098 0.030 13.425) 14.037 9.296 ( -3.834 1.768 -5.565) 6.986 9.325 ( -11.468 -0.630 -5.092) 12.563 9.675 ( 7.084 -11.676 0.559) 13.668 10.008 ( -6.084 4.008 1.646) 7.469 10.116 ( -9.931 6.188 -0.662) 11.720 10.313 ( 6.334 -6.386 -1.600) 9.135 10.527 ( 7.354 -2.068 -5.917) 9.663 10.864 ( -0.900 7.957 7.560) 11.013 11.033 ( -0.166 3.379 -0.595) 3.435 11.403 ( -0.982 -2.969 8.577) 9.130 11.618 ( -1.254 -0.701 -0.649) 1.577 11.644 ( -4.059 -1.986 -2.037) 4.957 11.851 ( 2.475 -0.422 -2.939) 3.865 12.454 ( 8.027 2.097 11.726) 14.364 12.538 ( -3.729 2.626 -12.657) 13.454 13.112 ( -1.259 0.468 6.477) 6.614 13.311 ( 4.615 1.238 -4.262) 6.403 16.308 ( -13.436 -6.535 7.481) 16.709 16.604 ( -2.267 -11.824 0.515) 12.051 16.643 ( -11.798 -5.519 5.173) 14.014 16.828 ( -3.107 0.230 2.047) 3.728 17.322 ( -12.202 -7.111 -1.787) 14.235 17.656 ( 8.402 -8.381 0.075) 11.867 17.948 ( -4.924 5.691 1.178) 7.617 18.201 ( 2.614 -2.835 -3.951) 5.520 18.345 ( -4.243 5.254 -0.042) 6.754 18.431 ( 1.266 -0.639 3.499) 3.776 18.714 ( -0.826 1.458 1.096) 2.003 18.871 ( 5.817 2.637 -3.799) 7.431 ======================= Grid point 170 (56/65) ======================= q-point: (-0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.638 ( 0.000 -20.130 10.054) 22.501 3.105 ( 0.000 -11.627 11.520) 16.367 3.251 ( -0.000 -7.936 2.315) 8.266 3.264 ( 0.000 7.494 -3.361) 8.214 3.531 ( 0.000 -33.063 -1.536) 33.099 3.573 ( 0.000 14.208 0.652) 14.223 3.737 ( -0.000 -5.464 27.520) 28.057 4.126 ( 0.000 10.360 -4.339) 11.232 4.216 ( 0.000 3.956 -8.059) 8.978 4.264 ( 0.000 5.346 10.360) 11.658 4.520 ( 0.000 -1.631 -0.054) 1.632 4.641 ( 0.000 -5.691 -6.275) 8.471 4.860 ( 0.000 0.448 -6.034) 6.051 4.872 ( -0.000 1.217 -14.673) 14.723 4.903 ( 0.000 -0.052 -2.613) 2.614 5.354 ( -0.000 4.909 2.326) 5.433 5.362 ( 0.000 6.249 8.710) 10.720 5.609 ( 0.000 10.777 -5.623) 12.156 5.949 ( 0.000 -8.399 1.514) 8.535 6.181 ( -0.000 -6.570 0.446) 6.585 6.192 ( 0.000 -7.471 -9.614) 12.176 6.251 ( 0.000 -1.611 -9.706) 9.839 6.385 ( 0.000 0.682 -6.492) 6.528 6.485 ( 0.000 -1.951 -12.115) 12.271 6.620 ( -0.000 13.123 10.604) 16.872 6.665 ( 0.000 3.913 3.095) 4.989 6.987 ( 0.000 7.464 -9.978) 12.461 7.143 ( 0.000 14.243 -6.894) 15.823 7.374 ( 0.000 -3.556 14.704) 15.128 7.520 ( 0.000 -0.906 15.941) 15.967 7.886 ( 0.000 8.959 7.196) 11.492 8.003 ( 0.000 2.929 -3.760) 4.766 8.369 ( 0.000 2.110 -13.437) 13.602 8.508 ( 0.000 4.895 -14.442) 15.249 8.705 ( 0.000 -13.614 16.213) 21.170 8.837 ( 0.000 -1.050 14.917) 14.954 9.143 ( 0.000 -13.846 -0.573) 13.858 9.412 ( 0.000 0.196 -4.134) 4.139 9.672 ( 0.000 -10.332 -6.358) 12.132 9.789 ( 0.000 4.538 10.369) 11.318 9.949 ( 0.000 -1.026 -2.967) 3.139 10.201 ( 0.000 -2.399 -0.492) 2.449 10.296 ( 0.000 2.940 -6.706) 7.323 10.406 ( 0.000 -0.965 -2.909) 3.065 10.696 ( 0.000 12.142 3.276) 12.576 10.958 ( 0.000 11.763 -7.074) 13.726 11.426 ( 0.000 -4.912 9.223) 10.450 11.575 ( 0.000 -1.129 7.831) 7.912 11.756 ( 0.000 -5.650 -5.283) 7.735 11.947 ( 0.000 0.827 -3.423) 3.521 12.199 ( 0.000 0.370 2.664) 2.690 12.701 ( 0.000 4.649 -12.498) 13.335 13.052 ( 0.000 0.777 7.263) 7.305 13.193 ( 0.000 1.770 0.676) 1.895 16.579 ( 0.000 -7.920 9.166) 12.113 16.612 ( -0.000 -8.015 11.956) 14.395 17.088 ( -0.000 -6.903 -6.400) 9.414 17.107 ( 0.000 -3.871 0.986) 3.995 17.390 ( 0.000 -4.620 -0.610) 4.660 17.867 ( 0.000 -6.416 8.362) 10.540 17.976 ( -0.000 1.301 -12.397) 12.465 18.207 ( 0.000 -3.047 -2.347) 3.846 18.247 ( 0.000 -1.577 5.232) 5.464 18.474 ( 0.000 5.231 5.660) 7.708 18.549 ( 0.000 0.924 -2.578) 2.738 18.753 ( 0.000 7.561 -3.000) 8.135 ======================= Grid point 172 (57/65) ======================= q-point: (-0.38 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( -3.162 -17.346 8.691) 19.658 2.874 ( -14.472 -8.304 -8.301) 18.636 3.173 ( -5.952 -29.325 4.230) 30.220 3.227 ( -9.240 -17.181 11.631) 22.712 3.514 ( 15.064 3.548 -0.603) 15.488 3.734 ( 1.001 13.050 5.241) 14.098 3.906 ( -1.989 -6.283 3.661) 7.538 4.066 ( -8.032 0.261 1.309) 8.142 4.209 ( 2.931 6.531 -0.873) 7.212 4.402 ( -2.360 3.053 10.860) 11.526 4.484 ( 0.795 -0.973 -7.726) 7.828 4.601 ( 6.471 0.875 -1.372) 6.673 4.700 ( 2.486 2.887 -10.034) 10.733 4.758 ( -4.124 2.485 -11.165) 12.159 4.962 ( 10.468 -2.547 -1.775) 10.919 5.222 ( -16.203 6.784 -1.356) 17.619 5.526 ( -2.772 7.295 13.837) 15.886 5.707 ( 9.688 3.126 -8.570) 13.307 5.939 ( -1.543 -5.630 5.927) 8.319 6.035 ( -3.268 -6.948 -0.925) 7.733 6.071 ( 2.081 -4.858 -8.006) 9.593 6.200 ( 1.462 -3.506 -8.859) 9.640 6.269 ( -4.218 -0.239 -2.539) 4.929 6.357 ( -1.343 2.370 -8.354) 8.787 6.794 ( 8.364 5.008 5.019) 10.965 6.909 ( 6.982 11.302 7.479) 15.246 7.000 ( 2.620 9.768 -2.782) 10.489 7.179 ( 0.736 11.552 -6.555) 13.303 7.543 ( 1.810 -1.260 15.102) 15.263 7.701 ( -0.176 -2.287 16.989) 17.144 7.858 ( 0.286 0.599 -8.693) 8.719 8.084 ( -4.228 6.034 -0.456) 7.382 8.280 ( 1.834 10.058 -3.742) 10.887 8.427 ( 5.672 4.822 -13.254) 15.201 8.750 ( -0.459 -12.798 12.183) 17.676 8.982 ( -3.305 -10.818 -3.075) 11.722 9.026 ( 0.572 -3.118 14.748) 15.085 9.338 ( -1.012 -0.093 -7.945) 8.009 9.533 ( 2.217 -10.632 -4.373) 11.708 9.727 ( -14.744 0.705 -3.060) 15.075 10.025 ( 7.049 -0.457 6.887) 9.865 10.211 ( 3.639 -5.432 0.891) 6.599 10.257 ( 2.299 4.389 -6.442) 8.127 10.378 ( -4.282 3.535 -1.707) 5.809 10.846 ( 1.488 10.997 4.779) 12.083 10.972 ( 3.085 8.999 -8.195) 12.556 11.467 ( -3.289 -4.794 9.712) 11.319 11.633 ( -0.692 -4.386 -4.327) 6.200 11.678 ( 2.861 -2.967 4.694) 6.247 11.879 ( -3.390 0.594 -5.306) 6.325 12.287 ( 3.824 0.363 8.447) 9.279 12.600 ( -1.052 6.299 -12.265) 13.827 13.138 ( -0.557 1.648 6.766) 6.986 13.212 ( 2.153 0.784 -1.994) 3.038 16.576 ( -1.266 -11.169 5.663) 12.586 16.637 ( -4.762 -10.718 8.767) 14.643 16.871 ( -7.523 -6.000 -2.423) 9.923 17.029 ( -4.380 -4.280 -9.829) 11.581 17.419 ( 6.124 -8.100 4.819) 11.240 17.696 ( -13.791 -3.182 -3.739) 14.639 18.006 ( 6.589 -0.807 0.457) 6.654 18.137 ( -3.417 0.443 -2.705) 4.381 18.332 ( 5.437 -2.286 3.568) 6.893 18.477 ( -4.480 2.498 -1.138) 5.254 18.637 ( 5.424 3.156 4.160) 7.529 18.777 ( 0.633 6.095 -3.715) 7.166 ======================= Grid point 173 (58/65) ======================= q-point: (-0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 134 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.503 ( 0.149 -17.874 -17.571) 25.065 2.503 ( -15.554 -8.809 17.571) 25.065 2.885 ( 5.895 -36.934 -8.872) 38.440 2.885 ( -34.933 -13.362 8.872) 38.440 3.772 ( -0.760 5.598 -13.780) 14.893 3.772 ( 5.228 2.141 13.780) 14.893 3.949 ( 5.417 1.838 -12.378) 13.636 3.949 ( -1.117 5.610 12.378) 13.636 4.351 ( -0.127 0.722 -10.541) 10.566 4.351 ( 0.689 0.251 10.541) 10.566 4.556 ( -1.476 -0.504 -12.829) 12.924 4.556 ( 0.302 -1.530 12.829) 12.924 4.742 ( 7.759 4.958 -3.588) 9.882 4.742 ( 0.414 9.198 3.588) 9.882 5.083 ( -4.055 3.459 -1.002) 5.424 5.083 ( 5.023 -1.782 1.002) 5.424 5.687 ( 4.355 0.138 -11.266) 12.080 5.687 ( -2.058 3.841 11.266) 12.080 5.916 ( -5.854 -7.449 -3.886) 10.240 5.916 ( -3.524 -8.794 3.886) 10.240 6.049 ( 5.076 -2.913 -5.874) 8.292 6.049 ( -5.061 2.940 5.874) 8.292 6.306 ( 1.144 4.718 -3.699) 6.103 6.306 ( 3.513 3.350 3.699) 6.103 7.030 ( 5.921 7.566 -5.559) 11.100 7.030 ( 3.592 8.911 5.559) 11.100 7.186 ( -0.204 8.925 -6.856) 11.256 7.186 ( 7.831 4.286 6.856) 11.256 7.669 ( -0.800 -4.710 -9.159) 10.330 7.669 ( -3.678 -3.048 9.159) 10.330 7.975 ( 0.095 5.314 -13.122) 14.158 7.975 ( 4.554 2.739 13.122) 14.158 8.434 ( 10.797 1.092 -12.454) 16.519 8.434 ( -4.453 9.897 12.454) 16.519 8.766 ( -5.409 -4.696 -7.475) 10.353 8.766 ( -1.362 -7.032 7.475) 10.353 9.205 ( -1.823 1.509 -13.095) 13.307 9.205 ( 2.219 -0.824 13.095) 13.307 9.495 ( -6.607 -3.675 -3.117) 8.178 9.495 ( 0.121 -7.559 3.117) 8.178 10.149 ( 1.364 -4.686 -3.078) 5.770 10.149 ( -4.740 -1.162 3.078) 5.770 10.325 ( 9.271 -0.937 -5.407) 10.773 10.325 ( -5.447 7.560 5.407) 10.773 10.999 ( 4.446 4.636 -5.650) 8.555 10.999 ( 1.793 6.168 5.650) 8.555 11.505 ( -0.829 -3.036 -9.505) 10.013 11.505 ( -2.215 -2.236 9.505) 10.013 11.762 ( -1.704 -1.215 -7.188) 7.487 11.762 ( -0.200 -2.084 7.188) 7.487 12.486 ( -3.484 6.582 -11.876) 14.018 12.486 ( 7.442 0.273 11.876) 14.018 13.209 ( 2.887 -0.178 -5.443) 6.164 13.209 ( -1.597 2.411 5.443) 6.164 16.495 ( -0.437 -13.289 -3.944) 13.868 16.495 ( -11.290 -7.023 3.944) 13.868 16.798 ( -6.226 -5.425 -6.535) 10.531 16.798 ( -1.585 -8.104 6.535) 10.531 17.465 ( -2.373 -6.679 -1.993) 7.363 17.465 ( -4.598 -5.394 1.993) 7.363 18.081 ( 3.732 -1.196 -4.377) 5.875 18.081 ( -2.901 2.634 4.377) 5.875 18.422 ( -3.145 3.163 -2.828) 5.282 18.422 ( 4.312 -1.142 2.828) 5.282 18.774 ( 1.461 3.460 -5.082) 6.319 18.774 ( 2.266 2.995 5.082) 6.319 ======================= Grid point 181 (59/65) ======================= q-point: (-0.38 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.393 ( 0.000 -19.538 -7.468) 20.916 2.779 ( 0.000 -42.725 -6.615) 43.234 2.994 ( -0.000 -8.300 5.348) 9.874 3.421 ( -0.000 11.626 -2.102) 11.814 3.536 ( -0.000 -5.042 22.538) 23.095 3.810 ( 0.000 -7.554 -11.236) 13.539 3.923 ( -0.000 12.960 8.803) 15.667 4.027 ( 0.000 -5.173 -11.229) 12.364 4.278 ( 0.000 -6.454 -14.064) 15.474 4.350 ( -0.000 -0.870 16.072) 16.096 4.472 ( 0.000 -0.537 -4.525) 4.556 4.575 ( 0.000 0.399 -15.295) 15.300 4.605 ( -0.000 1.364 11.233) 11.316 4.765 ( -0.000 9.999 1.388) 10.095 4.863 ( -0.000 2.454 -1.213) 2.738 5.367 ( 0.000 2.074 -3.183) 3.799 5.484 ( 0.000 6.367 -13.982) 15.363 5.756 ( -0.000 2.241 10.488) 10.725 5.871 ( 0.000 -5.738 -4.698) 7.416 5.977 ( 0.000 -5.683 2.460) 6.193 6.057 ( 0.000 -7.942 2.888) 8.451 6.124 ( 0.000 1.069 -2.296) 2.533 6.298 ( -0.000 -0.895 5.082) 5.160 6.396 ( -0.000 9.599 1.923) 9.789 6.764 ( -0.000 0.870 2.048) 2.225 6.987 ( -0.000 5.769 3.272) 6.632 7.073 ( -0.000 14.501 -4.327) 15.133 7.240 ( -0.000 12.639 0.676) 12.658 7.686 ( -0.000 -0.245 14.145) 14.147 7.726 ( 0.000 -0.361 -11.844) 11.849 7.914 ( -0.000 -1.094 19.044) 19.076 8.103 ( 0.000 1.828 -13.095) 13.222 8.115 ( 0.000 9.497 -17.044) 19.511 8.527 ( -0.000 14.859 10.703) 18.313 8.785 ( -0.000 -15.847 14.640) 21.574 8.861 ( 0.000 -8.090 -7.767) 11.215 9.187 ( -0.000 -3.844 15.747) 16.210 9.237 ( 0.000 2.793 -12.556) 12.863 9.377 ( 0.000 -11.156 -4.386) 11.987 9.874 ( 0.000 -0.378 -2.154) 2.187 9.912 ( 0.000 -0.331 -2.901) 2.920 10.086 ( 0.000 -8.761 1.919) 8.968 10.310 ( -0.000 5.408 2.428) 5.928 10.480 ( -0.000 5.166 3.833) 6.433 10.873 ( 0.000 5.945 -8.941) 10.737 10.969 ( -0.000 8.407 0.346) 8.414 11.527 ( 0.000 -2.664 -7.438) 7.901 11.565 ( -0.000 -4.949 9.031) 10.298 11.675 ( 0.000 -4.659 2.369) 5.226 11.858 ( 0.000 1.538 -3.680) 3.988 12.374 ( -0.000 -0.601 12.171) 12.185 12.533 ( 0.000 8.243 -11.660) 14.280 13.167 ( 0.000 -0.187 -4.129) 4.133 13.232 ( -0.000 3.300 5.633) 6.529 16.482 ( 0.000 -14.972 -2.861) 15.243 16.690 ( 0.000 -14.686 9.376) 17.424 16.834 ( 0.000 -4.639 -7.307) 8.655 16.884 ( 0.000 -3.874 -10.261) 10.968 17.375 ( 0.000 -10.806 5.587) 12.165 17.795 ( 0.000 4.629 -7.174) 8.538 17.867 ( 0.000 -5.851 2.691) 6.440 18.207 ( -0.000 1.752 1.941) 2.615 18.281 ( -0.000 -2.647 1.845) 3.226 18.482 ( 0.000 0.394 -4.013) 4.033 18.678 ( -0.000 1.874 3.941) 4.364 18.801 ( -0.000 7.219 -0.628) 7.246 ======================= Grid point 228 (60/65) ======================= q-point: ( 0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.997 ( -0.000 0.000 15.241) 15.241 3.258 ( -0.000 0.000 13.710) 13.710 3.258 ( -0.000 0.000 13.710) 13.710 3.270 ( 0.000 -0.000 -9.698) 9.698 3.374 ( 0.000 -0.000 -11.952) 11.952 3.569 ( -0.000 0.000 9.614) 9.614 3.569 ( -0.000 0.000 9.614) 9.614 4.050 ( -0.000 0.000 1.532) 1.532 4.050 ( -0.000 0.000 1.532) 1.532 4.597 ( -0.000 0.000 4.860) 4.860 4.597 ( -0.000 0.000 4.860) 4.860 4.790 ( 0.000 -0.000 -10.101) 10.101 4.888 ( 0.000 -0.000 -3.945) 3.945 4.888 ( 0.000 -0.000 -3.945) 3.945 5.023 ( -0.000 0.000 5.367) 5.367 5.112 ( -0.000 0.000 5.543) 5.543 5.112 ( -0.000 0.000 5.543) 5.543 5.332 ( 0.000 -0.000 -6.380) 6.380 6.268 ( 0.000 -0.000 -2.876) 2.876 6.268 ( 0.000 0.000 -2.876) 2.876 6.324 ( 0.000 -0.000 -6.209) 6.209 6.324 ( 0.000 -0.000 -6.209) 6.209 6.361 ( -0.000 0.000 10.892) 10.892 6.508 ( -0.000 0.000 1.056) 1.056 6.693 ( 0.000 -0.000 -9.907) 9.907 6.693 ( 0.000 -0.000 -9.907) 9.907 6.889 ( 0.000 -0.000 -16.300) 16.300 6.889 ( 0.000 -0.000 -16.300) 16.300 7.314 ( -0.000 0.000 14.073) 14.073 7.507 ( -0.000 0.000 5.180) 5.180 7.507 ( -0.000 0.000 5.180) 5.180 8.049 ( 0.000 -0.000 -3.383) 3.383 8.541 ( 0.000 -0.000 -13.735) 13.735 8.541 ( 0.000 -0.000 -13.735) 13.735 8.593 ( -0.000 0.000 24.746) 24.746 8.842 ( -0.000 0.000 7.825) 7.825 9.431 ( 0.000 -0.000 -6.903) 6.903 9.463 ( -0.000 0.000 11.275) 11.275 9.463 ( -0.000 0.000 11.275) 11.275 10.005 ( 0.000 -0.000 -6.870) 6.870 10.055 ( 0.000 -0.000 -0.947) 0.947 10.055 ( -0.000 -0.000 -0.947) 0.947 10.402 ( 0.000 -0.000 -2.574) 2.574 10.402 ( 0.000 0.000 -2.574) 2.574 10.654 ( 0.000 -0.000 -4.182) 4.182 10.654 ( 0.000 -0.000 -4.182) 4.182 11.457 ( -0.000 0.000 6.614) 6.614 11.457 ( -0.000 0.000 6.614) 6.614 11.940 ( 0.000 -0.000 -2.113) 2.113 11.940 ( 0.000 -0.000 -2.113) 2.113 12.176 ( 0.000 -0.000 -0.819) 0.819 12.778 ( 0.000 -0.000 -12.738) 12.738 12.970 ( -0.000 0.000 5.301) 5.301 13.127 ( -0.000 0.000 2.196) 2.196 16.581 ( -0.000 0.000 13.387) 13.387 16.581 ( -0.000 0.000 13.387) 13.387 17.131 ( -0.000 0.000 11.742) 11.742 17.366 ( 0.000 -0.000 -4.747) 4.747 17.366 ( 0.000 -0.000 -4.747) 4.747 18.009 ( -0.000 0.000 10.049) 10.049 18.009 ( -0.000 0.000 10.049) 10.049 18.129 ( 0.000 -0.000 -14.335) 14.335 18.374 ( -0.000 0.000 0.245) 0.245 18.483 ( 0.000 -0.000 -1.905) 1.905 18.483 ( 0.000 -0.000 -1.905) 1.905 18.547 ( 0.000 -0.000 -1.338) 1.338 ======================= Grid point 229 (61/65) ======================= q-point: (-0.50 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.990 ( -20.417 -11.788 2.827) 23.744 3.122 ( -5.259 -3.036 17.699) 18.711 3.223 ( -3.675 -2.122 1.889) 4.645 3.292 ( -1.102 -0.636 -0.671) 1.439 3.550 ( 4.344 2.508 -3.253) 5.978 3.667 ( 15.308 8.838 10.369) 20.493 3.845 ( 10.266 5.927 -0.414) 11.861 4.062 ( -5.505 -3.179 15.796) 17.027 4.109 ( -4.380 -2.529 10.017) 11.221 4.515 ( -7.404 -4.275 -16.193) 18.311 4.525 ( -5.950 -3.435 1.852) 7.115 4.710 ( 3.165 1.828 -4.387) 5.710 4.751 ( -5.149 -2.973 -7.886) 9.877 4.926 ( -10.464 -6.041 -0.920) 12.117 4.933 ( -1.149 -0.664 1.631) 2.103 5.024 ( 4.129 2.384 2.660) 5.460 5.249 ( -2.292 -1.323 -1.592) 3.089 5.543 ( 20.794 12.005 -0.647) 24.019 6.123 ( -8.478 -4.895 1.336) 9.880 6.222 ( -4.859 -2.805 -3.956) 6.865 6.230 ( -2.665 -1.539 0.105) 3.079 6.351 ( -5.570 -3.216 -7.440) 9.835 6.355 ( 4.559 2.632 -3.539) 6.343 6.547 ( -4.080 -2.356 -11.864) 12.766 6.588 ( 3.264 1.884 -1.778) 4.167 6.593 ( 7.434 4.292 3.683) 9.341 6.832 ( 10.439 6.027 -8.483) 14.740 6.865 ( 11.860 6.848 -14.897) 20.236 7.459 ( -1.426 -0.823 14.251) 14.346 7.552 ( -1.545 -0.892 15.008) 15.113 7.706 ( 4.472 2.582 12.243) 13.288 7.986 ( -0.617 -0.356 -7.308) 7.343 8.344 ( -0.941 -0.543 -16.621) 16.656 8.442 ( 5.487 3.168 -14.691) 15.999 8.847 ( -0.429 -0.247 20.262) 20.268 8.903 ( -6.342 -3.661 13.681) 15.518 9.317 ( -1.419 -0.819 -10.596) 10.722 9.513 ( -4.939 -2.851 11.203) 12.571 9.620 ( -1.766 -1.019 7.604) 7.872 9.861 ( -4.561 -2.633 -6.274) 8.191 9.929 ( -3.646 -2.105 -4.287) 6.008 10.150 ( 5.868 3.388 -2.070) 7.085 10.344 ( -0.687 -0.396 -3.012) 3.115 10.483 ( 5.526 3.190 2.981) 7.043 10.502 ( -1.373 -0.793 -7.432) 7.599 10.748 ( 8.970 5.179 -5.355) 11.660 11.480 ( -4.396 -2.538 8.881) 10.230 11.593 ( 2.214 1.278 9.026) 9.381 11.860 ( -2.841 -1.640 -5.057) 6.028 11.907 ( -1.226 -0.708 -4.051) 4.292 12.194 ( 1.752 1.012 2.438) 3.168 12.639 ( 1.365 0.788 -13.958) 14.047 13.042 ( 0.101 0.058 6.648) 6.649 13.170 ( 1.994 1.151 1.503) 2.749 16.677 ( -5.200 -3.002 13.272) 14.567 16.728 ( -1.621 -0.936 13.542) 13.670 17.071 ( -12.795 -7.387 1.575) 14.859 17.288 ( -3.935 -2.272 -10.025) 11.007 17.417 ( 7.884 4.552 4.730) 10.259 17.906 ( -8.598 -4.964 -7.172) 12.248 17.997 ( -3.573 -2.063 3.493) 5.406 18.248 ( 4.643 2.680 8.801) 10.305 18.318 ( -4.629 -2.673 -5.159) 7.429 18.393 ( 0.157 0.091 2.579) 2.585 18.546 ( 2.989 1.726 -2.083) 4.032 18.607 ( 7.986 4.611 -3.596) 9.897 ======================= Grid point 230 (62/65) ======================= q-point: (-0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.661 ( -21.046 -12.151 6.270) 25.098 3.149 ( -4.914 -2.837 -2.128) 6.060 3.205 ( -21.815 -12.595 24.459) 35.111 3.258 ( 6.336 3.658 -5.015) 8.870 3.632 ( 9.727 5.616 -7.287) 13.388 3.830 ( -7.095 -4.096 2.608) 8.598 3.970 ( 6.331 3.655 2.386) 7.690 4.042 ( -5.133 -2.963 -12.961) 14.252 4.253 ( -0.451 -0.260 25.442) 25.448 4.260 ( -7.060 -4.076 4.210) 9.176 4.468 ( -0.008 -0.005 -1.781) 1.781 4.629 ( -1.451 -0.838 -4.519) 4.820 4.684 ( 3.451 1.993 -10.193) 10.945 4.687 ( -2.071 -1.196 -12.936) 13.155 4.872 ( -3.235 -1.868 -0.410) 3.758 5.226 ( 6.770 3.909 11.252) 13.701 5.269 ( 0.832 0.480 6.547) 6.617 5.762 ( 9.507 5.489 -7.850) 13.496 5.972 ( -9.244 -5.337 2.049) 10.869 6.103 ( -6.249 -3.608 -0.620) 7.242 6.184 ( -4.540 -2.621 0.419) 5.259 6.221 ( -3.675 -2.122 -8.400) 9.411 6.320 ( 2.626 1.516 -8.431) 8.960 6.358 ( 2.114 1.221 -6.700) 7.131 6.718 ( 5.045 2.913 0.950) 5.903 6.814 ( 12.196 7.041 0.794) 14.105 6.896 ( 7.376 4.258 -0.776) 8.552 7.024 ( 15.118 8.729 -6.099) 18.492 7.592 ( -1.086 -0.627 13.732) 13.789 7.763 ( 3.329 1.922 14.431) 14.934 7.873 ( 0.041 0.023 -7.247) 7.247 7.920 ( 1.869 1.079 14.916) 15.071 8.136 ( -0.620 -0.358 -18.054) 18.068 8.429 ( 10.909 6.298 -13.284) 18.307 8.909 ( -8.625 -4.980 11.517) 15.226 9.048 ( -0.143 -0.083 17.011) 17.011 9.128 ( -6.377 -3.682 -12.407) 14.428 9.452 ( -8.079 -4.665 -12.897) 15.918 9.493 ( -8.851 -5.110 6.771) 12.259 9.856 ( -0.321 -0.185 7.166) 7.175 9.864 ( 0.155 0.090 -1.317) 1.329 10.207 ( -1.168 -0.674 1.109) 1.746 10.279 ( 2.056 1.187 -7.877) 8.228 10.453 ( 4.369 2.522 -6.650) 8.347 10.659 ( 6.748 3.896 7.856) 11.065 10.855 ( 8.920 5.150 -4.442) 11.217 11.499 ( -4.572 -2.639 9.040) 10.468 11.714 ( -0.937 -0.541 7.928) 8.002 11.730 ( -3.727 -2.152 -7.341) 8.510 11.830 ( -0.531 -0.307 -4.246) 4.290 12.309 ( 4.515 2.607 8.354) 9.847 12.511 ( 1.283 0.741 -13.566) 13.647 13.113 ( 0.036 0.021 5.613) 5.613 13.218 ( 3.028 1.748 -1.592) 3.842 16.664 ( -11.967 -6.909 9.331) 16.674 16.823 ( -3.529 -2.037 12.061) 12.731 16.874 ( -7.953 -4.592 1.615) 9.325 17.027 ( -10.878 -6.281 -11.012) 16.705 17.621 ( 6.490 3.747 7.028) 10.274 17.637 ( -10.078 -5.818 -8.791) 14.584 17.967 ( -5.317 -3.070 2.746) 6.725 18.219 ( 0.492 0.284 -5.011) 5.043 18.327 ( -1.852 -1.069 1.932) 2.882 18.433 ( 0.248 0.143 3.613) 3.624 18.636 ( 5.463 3.154 1.874) 6.581 18.688 ( 7.232 4.175 -5.137) 9.804 ======================= Grid point 237 (63/65) ======================= q-point: (-0.50 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.012 ( 0.000 -17.111 1.060) 17.144 3.137 ( 0.000 3.254 -2.609) 4.171 3.327 ( 0.000 -6.211 1.341) 6.354 3.410 ( 0.000 -2.351 -2.967) 3.786 3.551 ( 0.000 -4.525 28.940) 29.292 3.695 ( 0.000 10.108 4.861) 11.216 3.859 ( 0.000 16.459 -5.156) 17.248 4.159 ( 0.000 -11.585 -13.008) 17.419 4.236 ( 0.000 -13.500 11.424) 17.685 4.330 ( 0.000 3.610 13.596) 14.067 4.540 ( 0.000 -3.372 -4.016) 5.244 4.590 ( -0.000 -0.937 -11.203) 11.242 4.747 ( 0.000 -5.095 -4.354) 6.701 4.830 ( 0.000 -11.248 -6.867) 13.178 4.948 ( 0.000 -4.453 3.468) 5.645 5.258 ( -0.000 8.574 0.385) 8.582 5.317 ( 0.000 11.226 5.599) 12.544 5.350 ( 0.000 12.930 -7.392) 14.893 6.149 ( 0.000 -9.948 5.352) 11.297 6.194 ( 0.000 -4.716 -2.020) 5.130 6.256 ( 0.000 -0.936 1.491) 1.760 6.279 ( 0.000 -10.044 -7.037) 12.264 6.310 ( -0.000 1.534 -3.354) 3.688 6.397 ( 0.000 -6.682 -13.163) 14.762 6.547 ( 0.000 6.972 5.652) 8.975 6.612 ( 0.000 5.794 2.213) 6.202 6.737 ( 0.000 11.368 -7.774) 13.772 6.796 ( 0.000 19.213 -5.990) 20.125 7.603 ( 0.000 -3.644 14.051) 14.515 7.728 ( 0.000 -1.931 17.803) 17.908 7.858 ( 0.000 1.674 1.143) 2.027 7.926 ( 0.000 6.228 4.247) 7.538 8.160 ( 0.000 0.623 -17.943) 17.953 8.249 ( 0.000 5.144 -16.842) 17.610 8.968 ( 0.000 -2.292 9.455) 9.729 9.160 ( 0.000 -8.993 24.959) 26.529 9.197 ( 0.000 -1.931 -10.240) 10.421 9.513 ( 0.000 -14.670 -1.471) 14.744 9.743 ( 0.000 -6.764 -5.508) 8.722 9.836 ( 0.000 6.386 12.182) 13.755 9.896 ( 0.000 0.447 -6.904) 6.918 10.086 ( 0.000 8.245 -7.665) 11.258 10.307 ( 0.000 -5.736 1.492) 5.927 10.406 ( 0.000 -4.905 -4.780) 6.849 10.557 ( 0.000 11.136 4.532) 12.023 10.687 ( 0.000 11.593 -7.430) 13.769 11.599 ( 0.000 -3.704 9.559) 10.252 11.679 ( -0.000 0.283 8.885) 8.890 11.775 ( 0.000 -5.290 -7.054) 8.817 11.874 ( 0.000 1.859 -6.110) 6.386 12.238 ( 0.000 1.275 7.048) 7.163 12.490 ( 0.000 2.937 -13.426) 13.744 13.112 ( 0.000 0.666 5.313) 5.355 13.173 ( 0.000 1.022 -0.343) 1.077 16.823 ( 0.000 -7.260 11.970) 13.999 16.867 ( -0.000 -4.831 13.810) 14.631 17.103 ( -0.000 -6.386 -10.120) 11.967 17.144 ( 0.000 -4.506 -8.084) 9.255 17.466 ( 0.000 1.220 10.366) 10.437 17.796 ( 0.000 1.915 -14.664) 14.789 18.083 ( 0.000 -9.085 8.427) 12.392 18.251 ( 0.000 -7.881 -5.007) 9.337 18.328 ( 0.000 0.568 6.774) 6.798 18.438 ( 0.000 5.887 3.871) 7.046 18.502 ( 0.000 0.950 -3.186) 3.325 18.571 ( 0.000 10.358 -4.226) 11.187 ======================= Grid point 239 (64/65) ======================= q-point: (-0.38 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.918 ( -3.971 -14.707 -7.851) 17.138 2.918 ( -10.751 -10.793 7.851) 17.138 3.413 ( 11.086 -0.887 -3.416) 11.634 3.413 ( -6.311 9.158 3.416) 11.634 3.679 ( 2.100 -18.050 -20.827) 27.640 3.679 ( -16.681 -7.206 20.827) 27.640 3.948 ( 2.806 5.459 -7.037) 9.338 3.948 ( 3.325 5.159 7.037) 9.338 4.370 ( -4.008 -3.600 -15.087) 16.020 4.370 ( -1.113 -5.271 15.087) 16.020 4.520 ( 4.130 1.903 -10.646) 11.577 4.520 ( -0.417 4.528 10.646) 11.577 4.623 ( -2.339 -3.691 -4.830) 6.513 4.623 ( -2.027 -3.871 4.830) 6.513 5.066 ( -13.580 7.131 -2.736) 15.580 5.066 ( 12.966 -8.195 2.736) 15.580 5.520 ( 14.049 4.811 -12.136) 19.178 5.520 ( -2.858 14.572 12.136) 19.178 6.100 ( -2.537 -8.713 -6.156) 10.966 6.100 ( -6.277 -6.554 6.156) 10.966 6.180 ( -6.397 -2.683 -6.849) 9.748 6.180 ( 0.875 -6.881 6.849) 9.748 6.279 ( 0.636 -1.271 -3.597) 3.868 6.279 ( -1.419 -0.084 3.597) 3.868 6.724 ( 6.437 9.353 -4.472) 12.203 6.724 ( 4.881 10.251 4.472) 12.203 6.891 ( 3.288 14.343 -5.236) 15.619 6.891 ( 10.777 10.019 5.236) 15.619 7.732 ( -2.035 -0.834 -12.616) 12.807 7.732 ( 0.295 -2.179 12.616) 12.807 7.931 ( -2.388 0.755 -17.342) 17.522 7.931 ( 1.848 -1.690 17.342) 17.522 8.172 ( 9.243 5.743 -14.334) 17.997 8.172 ( 0.352 10.876 14.334) 17.997 9.039 ( -4.294 -4.871 -9.903) 11.842 9.039 ( -2.072 -6.154 9.903) 11.842 9.278 ( -2.337 -9.155 -16.587) 19.090 9.278 ( -6.760 -6.601 16.587) 19.090 9.694 ( -2.451 -6.614 -3.675) 7.954 9.694 ( -4.503 -5.430 3.675) 7.954 10.080 ( 6.615 4.180 -10.236) 12.884 10.080 ( 0.313 7.819 10.236) 12.884 10.313 ( 0.063 -2.484 -4.185) 4.867 10.313 ( -2.183 -1.188 4.185) 4.867 10.739 ( 7.137 8.985 -6.871) 13.375 10.739 ( 4.213 10.674 6.871) 13.375 11.635 ( -1.124 -5.583 -8.530) 10.256 11.635 ( -4.273 -3.765 8.530) 10.256 11.791 ( -2.544 1.462 -7.313) 7.879 11.791 ( 2.538 -1.472 7.313) 7.879 12.380 ( -0.026 4.011 -11.447) 12.129 12.380 ( 3.486 1.983 11.447) 12.129 13.170 ( 1.371 0.734 -3.442) 3.777 13.170 ( -0.050 1.554 3.442) 3.777 16.832 ( -6.792 -9.930 -5.759) 13.338 16.832 ( -5.203 -10.847 5.759) 13.338 16.984 ( -3.967 -3.668 -8.885) 10.398 16.984 ( -1.193 -5.269 8.885) 10.398 17.618 ( -7.314 1.708 -10.448) 12.867 17.618 ( 5.136 -5.480 10.448) 12.867 18.099 ( -0.870 -4.613 -6.488) 8.008 18.099 ( -3.560 -3.060 6.488) 8.008 18.414 ( -3.222 1.608 -3.107) 4.756 18.414 ( 3.004 -1.986 3.107) 4.756 18.616 ( 1.779 8.215 -4.326) 9.453 18.616 ( 6.225 5.648 4.326) 9.453 ======================= Grid point 316 (65/65) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.39e-05 3.39e-05 Number of triplets: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.108 ( 0.000 0.000 -0.499) 0.499 3.108 ( -0.000 0.000 0.499) 0.499 3.533 ( 0.000 -14.000 -6.349) 15.373 3.533 ( 0.000 -14.000 6.349) 15.373 3.533 ( 0.000 14.000 -6.349) 15.373 3.533 ( -0.000 14.000 6.349) 15.373 3.955 ( 0.000 0.000 -32.610) 32.610 3.955 ( -0.000 0.000 32.610) 32.610 4.451 ( 0.000 -0.660 -13.301) 13.317 4.451 ( 0.000 0.660 -13.301) 13.317 4.451 ( -0.000 -0.660 13.301) 13.317 4.451 ( -0.000 0.660 13.301) 13.317 5.034 ( 0.000 -13.216 -10.586) 16.933 5.034 ( -0.000 -13.216 10.586) 16.933 5.034 ( 0.000 13.216 -10.586) 16.933 5.034 ( -0.000 13.216 10.586) 16.933 5.150 ( 0.000 0.000 -4.274) 4.274 5.150 ( -0.000 0.000 4.274) 4.274 6.256 ( 0.000 -2.189 -2.164) 3.078 6.256 ( 0.000 2.189 -2.164) 3.078 6.256 ( -0.000 -2.189 2.164) 3.078 6.256 ( -0.000 2.189 2.164) 3.078 6.467 ( 0.000 -13.112 -4.183) 13.763 6.467 ( 0.000 -13.112 4.183) 13.763 6.467 ( -0.000 13.112 -4.183) 13.763 6.467 ( -0.000 13.112 4.183) 13.763 6.563 ( 0.000 0.000 -0.894) 0.894 6.563 ( -0.000 0.000 0.894) 0.894 7.778 ( 0.000 0.000 -12.041) 12.041 7.778 ( -0.000 0.000 12.041) 12.041 7.980 ( 0.000 -3.722 -17.970) 18.352 7.980 ( 0.000 3.722 -17.970) 18.352 7.980 ( -0.000 -3.722 17.970) 18.352 7.980 ( -0.000 3.722 17.970) 18.352 9.091 ( 0.000 0.000 -10.112) 10.112 9.091 ( -0.000 0.000 10.112) 10.112 9.524 ( 0.000 0.000 -23.175) 23.175 9.524 ( -0.000 0.000 23.175) 23.175 9.853 ( 0.000 -6.420 -10.287) 12.126 9.853 ( 0.000 6.420 -10.287) 12.126 9.853 ( -0.000 -6.420 10.287) 12.126 9.853 ( -0.000 6.420 10.287) 12.126 10.456 ( 0.000 -7.705 -5.137) 9.261 10.456 ( -0.000 -7.705 5.137) 9.261 10.456 ( 0.000 7.705 -5.137) 9.261 10.456 ( -0.000 7.705 5.137) 9.261 11.753 ( 0.000 -2.642 -8.506) 8.907 11.753 ( 0.000 2.642 -8.506) 8.907 11.753 ( -0.000 -2.642 8.506) 8.907 11.753 ( -0.000 2.642 8.506) 8.907 12.328 ( 0.000 0.000 -11.106) 11.106 12.328 ( -0.000 0.000 11.106) 11.106 13.150 ( 0.000 0.000 -2.498) 2.498 13.150 ( -0.000 0.000 2.498) 2.498 17.043 ( 0.000 -1.736 -13.000) 13.115 17.043 ( 0.000 1.736 -13.000) 13.115 17.043 ( -0.000 -1.736 13.000) 13.115 17.043 ( -0.000 1.736 13.000) 13.115 17.605 ( 0.000 0.000 -15.782) 15.782 17.605 ( -0.000 0.000 15.782) 15.782 18.326 ( 0.000 -8.765 -7.505) 11.540 18.326 ( 0.000 8.765 -7.505) 11.540 18.326 ( 0.000 -8.765 7.505) 11.540 18.326 ( -0.000 8.765 7.505) 11.540 18.451 ( 0.000 0.000 -3.515) 3.515 18.451 ( -0.000 0.000 3.515) 3.515 =================== 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 3/33792 10.0 194.751 194.751 915.103 0.000 -0.000 -0.000 3/33792 20.0 132.935 132.935 360.837 0.000 -0.000 -0.000 3/33792 30.0 69.661 69.661 162.788 0.000 -0.000 -0.000 3/33792 40.0 39.370 39.370 86.693 0.000 -0.000 -0.000 3/33792 50.0 25.175 25.175 54.309 0.000 -0.000 -0.000 3/33792 60.0 17.751 17.751 38.009 0.000 -0.000 -0.000 3/33792 70.0 13.440 13.440 28.677 0.000 -0.000 -0.000 3/33792 80.0 10.715 10.715 22.814 0.000 -0.000 -0.000 3/33792 90.0 8.876 8.876 18.865 0.000 -0.000 -0.000 3/33792 100.0 7.567 7.567 16.060 0.000 -0.000 -0.000 3/33792 110.0 6.597 6.597 13.981 0.000 -0.000 -0.000 3/33792 120.0 5.853 5.853 12.386 0.000 -0.000 -0.000 3/33792 130.0 5.266 5.266 11.127 0.000 -0.000 -0.000 3/33792 140.0 4.793 4.793 10.110 0.000 -0.000 -0.000 3/33792 150.0 4.402 4.402 9.272 0.000 -0.000 -0.000 3/33792 160.0 4.076 4.076 8.569 0.000 -0.000 -0.000 3/33792 170.0 3.798 3.798 7.971 0.000 -0.000 -0.000 3/33792 180.0 3.559 3.559 7.456 0.000 -0.000 -0.000 3/33792 190.0 3.351 3.351 7.008 0.000 -0.000 -0.000 3/33792 200.0 3.168 3.168 6.614 0.000 -0.000 -0.000 3/33792 210.0 3.006 3.006 6.264 0.000 -0.000 -0.000 3/33792 220.0 2.861 2.861 5.952 0.000 -0.000 -0.000 3/33792 230.0 2.730 2.730 5.671 0.000 -0.000 -0.000 3/33792 240.0 2.612 2.612 5.417 0.000 -0.000 -0.000 3/33792 250.0 2.504 2.504 5.186 0.000 -0.000 -0.000 3/33792 260.0 2.406 2.406 4.974 0.000 -0.000 -0.000 3/33792 270.0 2.315 2.315 4.780 0.000 -0.000 -0.000 3/33792 280.0 2.231 2.231 4.602 0.000 -0.000 -0.000 3/33792 290.0 2.154 2.154 4.436 0.000 -0.000 -0.000 3/33792 300.0 2.082 2.082 4.283 0.000 -0.000 -0.000 3/33792 310.0 2.015 2.015 4.140 0.000 -0.000 -0.000 3/33792 320.0 1.952 1.952 4.007 0.000 -0.000 -0.000 3/33792 330.0 1.893 1.893 3.882 0.000 -0.000 -0.000 3/33792 340.0 1.838 1.838 3.765 0.000 -0.000 -0.000 3/33792 350.0 1.786 1.786 3.656 0.000 -0.000 -0.000 3/33792 360.0 1.737 1.737 3.552 0.000 -0.000 -0.000 3/33792 370.0 1.690 1.690 3.454 0.000 -0.000 -0.000 3/33792 380.0 1.646 1.646 3.362 0.000 -0.000 -0.000 3/33792 390.0 1.605 1.605 3.275 0.000 -0.000 -0.000 3/33792 400.0 1.565 1.565 3.192 0.000 -0.000 -0.000 3/33792 410.0 1.528 1.528 3.113 0.000 -0.000 -0.000 3/33792 420.0 1.492 1.492 3.038 0.000 -0.000 -0.000 3/33792 430.0 1.458 1.458 2.967 0.000 -0.000 -0.000 3/33792 440.0 1.425 1.425 2.899 0.000 -0.000 -0.000 3/33792 450.0 1.394 1.394 2.834 0.000 -0.000 -0.000 3/33792 460.0 1.364 1.364 2.772 0.000 -0.000 -0.000 3/33792 470.0 1.335 1.335 2.713 0.000 -0.000 -0.000 3/33792 480.0 1.308 1.308 2.656 0.000 -0.000 -0.000 3/33792 490.0 1.282 1.282 2.601 0.000 -0.000 -0.000 3/33792 500.0 1.256 1.256 2.549 0.000 -0.000 -0.000 3/33792 510.0 1.232 1.232 2.499 0.000 -0.000 -0.000 3/33792 520.0 1.209 1.209 2.451 0.000 -0.000 -0.000 3/33792 530.0 1.186 1.186 2.404 0.000 -0.000 -0.000 3/33792 540.0 1.165 1.165 2.360 0.000 -0.000 -0.000 3/33792 550.0 1.144 1.144 2.317 0.000 -0.000 -0.000 3/33792 560.0 1.124 1.124 2.275 0.000 -0.000 -0.000 3/33792 570.0 1.104 1.104 2.235 0.000 -0.000 -0.000 3/33792 580.0 1.086 1.086 2.196 0.000 -0.000 -0.000 3/33792 590.0 1.067 1.067 2.159 0.000 -0.000 -0.000 3/33792 600.0 1.050 1.050 2.123 0.000 -0.000 -0.000 3/33792 610.0 1.033 1.033 2.088 0.000 -0.000 -0.000 3/33792 620.0 1.016 1.016 2.055 0.000 -0.000 -0.000 3/33792 630.0 1.001 1.001 2.022 0.000 -0.000 -0.000 3/33792 640.0 0.985 0.985 1.990 0.000 -0.000 -0.000 3/33792 650.0 0.970 0.970 1.960 0.000 -0.000 -0.000 3/33792 660.0 0.956 0.956 1.930 0.000 -0.000 -0.000 3/33792 670.0 0.942 0.942 1.901 0.000 -0.000 -0.000 3/33792 680.0 0.928 0.928 1.873 0.000 -0.000 -0.000 3/33792 690.0 0.915 0.915 1.846 0.000 -0.000 -0.000 3/33792 700.0 0.902 0.902 1.820 0.000 -0.000 -0.000 3/33792 710.0 0.889 0.889 1.794 0.000 -0.000 -0.000 3/33792 720.0 0.877 0.877 1.769 0.000 -0.000 -0.000 3/33792 730.0 0.865 0.865 1.745 0.000 -0.000 -0.000 3/33792 740.0 0.854 0.854 1.721 0.000 -0.000 -0.000 3/33792 750.0 0.842 0.842 1.698 0.000 -0.000 -0.000 3/33792 760.0 0.831 0.831 1.676 0.000 -0.000 -0.000 3/33792 770.0 0.821 0.821 1.654 0.000 -0.000 -0.000 3/33792 780.0 0.810 0.810 1.633 0.000 -0.000 -0.000 3/33792 790.0 0.800 0.800 1.613 0.000 -0.000 -0.000 3/33792 800.0 0.790 0.790 1.592 0.000 -0.000 -0.000 3/33792 810.0 0.780 0.780 1.573 0.000 -0.000 -0.000 3/33792 820.0 0.771 0.771 1.554 0.000 -0.000 -0.000 3/33792 830.0 0.762 0.762 1.535 0.000 -0.000 -0.000 3/33792 840.0 0.753 0.753 1.517 0.000 -0.000 -0.000 3/33792 850.0 0.744 0.744 1.499 0.000 -0.000 -0.000 3/33792 860.0 0.736 0.736 1.481 0.000 -0.000 -0.000 3/33792 870.0 0.727 0.727 1.464 0.000 -0.000 -0.000 3/33792 880.0 0.719 0.719 1.448 0.000 -0.000 -0.000 3/33792 890.0 0.711 0.711 1.432 0.000 -0.000 -0.000 3/33792 900.0 0.703 0.703 1.416 0.000 -0.000 -0.000 3/33792 910.0 0.695 0.695 1.400 0.000 -0.000 -0.000 3/33792 920.0 0.688 0.688 1.385 0.000 -0.000 -0.000 3/33792 930.0 0.681 0.681 1.370 0.000 -0.000 -0.000 3/33792 940.0 0.673 0.673 1.355 0.000 -0.000 -0.000 3/33792 950.0 0.666 0.666 1.341 0.000 -0.000 -0.000 3/33792 960.0 0.660 0.660 1.327 0.000 -0.000 -0.000 3/33792 970.0 0.653 0.653 1.314 0.000 -0.000 -0.000 3/33792 980.0 0.646 0.646 1.300 0.000 -0.000 -0.000 3/33792 990.0 0.640 0.640 1.287 0.000 -0.000 -0.000 3/33792 1000.0 0.633 0.633 1.274 0.000 -0.000 -0.000 3/33792 Thermal conductivity related properties were written into "kappa-m888.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:58:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|