----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:27:49]------------------------- 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 4.550289588044572 2.627110918548280 3.699166746666662 b -4.550289588044564 2.627110918548280 3.699166746666662 c 0.000000000000005 -5.254221837096568 3.699166746666662 Atomic positions (fractional): *1 O 0.21019382687401 0.42811364250663 0.56031515229088 15.999 2 O 0.42811364250663 0.56031515229088 0.21019382687401 15.999 3 O 0.56031515229088 0.21019382687401 0.42811364250663 15.999 4 O 0.93968484770912 0.07188635749337 0.28980617312599 15.999 5 O 0.07188635749337 0.28980617312599 0.93968484770912 15.999 6 O 0.28980617312599 0.93968484770912 0.07188635749337 15.999 7 O 0.78980617312599 0.57188635749337 0.43968484770912 15.999 8 O 0.57188635749337 0.43968484770912 0.78980617312599 15.999 9 O 0.43968484770912 0.78980617312599 0.57188635749337 15.999 10 O 0.06031515229088 0.92811364250663 0.71019382687401 15.999 11 O 0.71019382687401 0.06031515229088 0.92811364250663 15.999 12 O 0.92811364250663 0.71019382687401 0.06031515229088 15.999 *13 Na 0.25000000000000 0.25000000000000 0.25000000000000 22.990 14 Na 0.75000000000000 0.75000000000000 0.75000000000000 22.990 *15 Ca 0.10739081867399 0.75000000000000 0.39260918132601 40.078 16 Ca 0.75000000000000 0.39260918132601 0.10739081867399 40.078 17 Ca 0.39260918132601 0.10739081867399 0.75000000000000 40.078 18 Ca 0.89260918132601 0.25000000000000 0.60739081867399 40.078 19 Ca 0.25000000000000 0.60739081867399 0.89260918132601 40.078 20 Ca 0.60739081867399 0.89260918132601 0.25000000000000 40.078 *21 Ru 0.50000000000000 0.50000000000000 0.50000000000000 101.070 22 Ru 0.00000000000000 0.00000000000000 0.00000000000000 101.070 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.100579176089138 0.000000000000000 0.000000000000000 b -4.550289588044569 7.881332755644849 0.000000000000000 c 0.000000000000000 0.000000000000000 11.097500239999999 Atomic positions (fractional): *1 O 0.81065295298350 0.83922572159963 0.39954087389051 15.999 > 1 2 O 0.02857276861612 0.18934704701650 0.39954087389051 15.999 > 2 3 O 0.16077427840037 0.97142723138388 0.39954087389051 15.999 > 3 4 O 0.50589238826629 0.14398628631683 0.43379245944283 15.999 > 4 5 O 0.63809389805054 0.49410761173371 0.43379245944283 15.999 > 5 6 O 0.85601371368317 0.36190610194946 0.43379245944283 15.999 > 6 7 O 0.18934704701650 0.16077427840037 0.60045912610950 15.999 > 7 8 O 0.97142723138388 0.81065295298350 0.60045912610950 15.999 > 8 9 O 0.83922572159963 0.02857276861612 0.60045912610950 15.999 > 9 10 O 0.49410761173371 0.85601371368317 0.56620754055717 15.999 > 10 11 O 0.14398628631683 0.63809389805054 0.56620754055717 15.999 > 11 12 O 0.36190610194946 0.50589238826629 0.56620754055717 15.999 > 12 13 O 0.47731961965017 0.17255905493296 0.73287420722384 15.999 > 1 14 O 0.69523943528279 0.52268038034983 0.73287420722384 15.999 > 2 15 O 0.82744094506704 0.30476056471721 0.73287420722384 15.999 > 3 16 O 0.17255905493296 0.47731961965017 0.76712579277616 15.999 > 4 17 O 0.30476056471721 0.82744094506704 0.76712579277616 15.999 > 5 18 O 0.52268038034983 0.69523943528279 0.76712579277616 15.999 > 6 19 O 0.85601371368317 0.49410761173371 0.93379245944283 15.999 > 7 20 O 0.63809389805054 0.14398628631683 0.93379245944283 15.999 > 8 21 O 0.50589238826629 0.36190610194946 0.93379245944283 15.999 > 9 22 O 0.16077427840037 0.18934704701650 0.89954087389050 15.999 > 10 23 O 0.81065295298350 0.97142723138388 0.89954087389050 15.999 > 11 24 O 0.02857276861612 0.83922572159963 0.89954087389050 15.999 > 12 25 O 0.14398628631683 0.50589238826629 0.06620754055717 15.999 > 1 26 O 0.36190610194946 0.85601371368317 0.06620754055717 15.999 > 2 27 O 0.49410761173371 0.63809389805054 0.06620754055717 15.999 > 3 28 O 0.83922572159963 0.81065295298350 0.10045912610950 15.999 > 4 29 O 0.97142723138388 0.16077427840037 0.10045912610950 15.999 > 5 30 O 0.18934704701650 0.02857276861612 0.10045912610950 15.999 > 6 31 O 0.52268038034983 0.82744094506704 0.26712579277616 15.999 > 7 32 O 0.30476056471721 0.47731961965017 0.26712579277616 15.999 > 8 33 O 0.17255905493296 0.69523943528279 0.26712579277616 15.999 > 9 34 O 0.82744094506704 0.52268038034983 0.23287420722384 15.999 > 10 35 O 0.47731961965017 0.30476056471721 0.23287420722384 15.999 > 11 36 O 0.69523943528279 0.17255905493296 0.23287420722384 15.999 > 12 *37 Na 0.00000000000000 0.00000000000000 0.25000000000000 22.990 > 13 38 Na 0.00000000000000 0.00000000000000 0.75000000000000 22.990 > 14 39 Na 0.66666666666667 0.33333333333333 0.58333333333333 22.990 > 13 40 Na 0.66666666666667 0.33333333333333 0.08333333333333 22.990 > 14 41 Na 0.33333333333333 0.66666666666667 0.91666666666667 22.990 > 13 42 Na 0.33333333333333 0.66666666666667 0.41666666666667 22.990 > 14 *43 Ca 0.69072415200732 0.02405748534066 0.41666666666667 40.078 > 15 44 Ca 0.33333333333333 0.30927584799268 0.41666666666667 40.078 > 16 45 Ca 0.97594251465934 0.66666666666667 0.41666666666667 40.078 > 17 46 Ca 0.30927584799268 0.97594251465934 0.58333333333333 40.078 > 18 47 Ca 0.66666666666667 0.69072415200732 0.58333333333333 40.078 > 19 48 Ca 0.02405748534066 0.33333333333333 0.58333333333333 40.078 > 20 49 Ca 0.35739081867399 0.35739081867399 0.75000000000000 40.078 > 15 50 Ca 0.00000000000000 0.64260918132601 0.75000000000000 40.078 > 16 51 Ca 0.64260918132601 0.00000000000000 0.75000000000000 40.078 > 17 52 Ca 0.97594251465934 0.30927584799268 0.91666666666667 40.078 > 18 53 Ca 0.33333333333333 0.02405748534066 0.91666666666667 40.078 > 19 54 Ca 0.69072415200732 0.66666666666667 0.91666666666667 40.078 > 20 55 Ca 0.02405748534066 0.69072415200732 0.08333333333333 40.078 > 15 56 Ca 0.66666666666667 0.97594251465934 0.08333333333333 40.078 > 16 57 Ca 0.30927584799268 0.33333333333333 0.08333333333333 40.078 > 17 58 Ca 0.64260918132601 0.64260918132601 0.25000000000000 40.078 > 18 59 Ca 0.00000000000000 0.35739081867399 0.25000000000000 40.078 > 19 60 Ca 0.35739081867399 0.00000000000000 0.25000000000000 40.078 > 20 *61 Ru 0.00000000000000 0.00000000000000 0.50000000000000 101.070 > 21 62 Ru 0.00000000000000 0.00000000000000 0.00000000000000 101.070 > 22 63 Ru 0.66666666666667 0.33333333333333 0.83333333333333 101.070 > 21 64 Ru 0.66666666666667 0.33333333333333 0.33333333333333 101.070 > 22 65 Ru 0.33333333333333 0.66666666666667 0.16666666666667 101.070 > 21 66 Ru 0.33333333333333 0.66666666666667 0.66666666666667 101.070 > 22 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.100579176089138 0.000000000000000 0.000000000000000 b -4.550289588044569 7.881332755644849 0.000000000000000 c 0.000000000000000 0.000000000000000 11.097500239999999 Atomic positions (fractional): *1 O 0.81065295298350 0.83922572159963 0.39954087389051 15.999 > 1 2 O 0.02857276861612 0.18934704701650 0.39954087389051 15.999 > 2 3 O 0.16077427840037 0.97142723138388 0.39954087389051 15.999 > 3 4 O 0.50589238826629 0.14398628631683 0.43379245944283 15.999 > 4 5 O 0.63809389805054 0.49410761173371 0.43379245944283 15.999 > 5 6 O 0.85601371368317 0.36190610194946 0.43379245944283 15.999 > 6 7 O 0.18934704701650 0.16077427840037 0.60045912610950 15.999 > 7 8 O 0.97142723138388 0.81065295298350 0.60045912610950 15.999 > 8 9 O 0.83922572159963 0.02857276861612 0.60045912610950 15.999 > 9 10 O 0.49410761173371 0.85601371368317 0.56620754055717 15.999 > 10 11 O 0.14398628631683 0.63809389805054 0.56620754055717 15.999 > 11 12 O 0.36190610194946 0.50589238826629 0.56620754055717 15.999 > 12 13 O 0.47731961965017 0.17255905493296 0.73287420722384 15.999 > 1 14 O 0.69523943528279 0.52268038034983 0.73287420722384 15.999 > 2 15 O 0.82744094506704 0.30476056471721 0.73287420722384 15.999 > 3 16 O 0.17255905493296 0.47731961965017 0.76712579277616 15.999 > 4 17 O 0.30476056471721 0.82744094506704 0.76712579277616 15.999 > 5 18 O 0.52268038034983 0.69523943528279 0.76712579277616 15.999 > 6 19 O 0.85601371368317 0.49410761173371 0.93379245944283 15.999 > 7 20 O 0.63809389805054 0.14398628631683 0.93379245944283 15.999 > 8 21 O 0.50589238826629 0.36190610194946 0.93379245944283 15.999 > 9 22 O 0.16077427840037 0.18934704701650 0.89954087389050 15.999 > 10 23 O 0.81065295298350 0.97142723138388 0.89954087389050 15.999 > 11 24 O 0.02857276861612 0.83922572159963 0.89954087389050 15.999 > 12 25 O 0.14398628631683 0.50589238826629 0.06620754055717 15.999 > 1 26 O 0.36190610194946 0.85601371368317 0.06620754055717 15.999 > 2 27 O 0.49410761173371 0.63809389805054 0.06620754055717 15.999 > 3 28 O 0.83922572159963 0.81065295298350 0.10045912610950 15.999 > 4 29 O 0.97142723138388 0.16077427840037 0.10045912610950 15.999 > 5 30 O 0.18934704701650 0.02857276861612 0.10045912610950 15.999 > 6 31 O 0.52268038034983 0.82744094506704 0.26712579277616 15.999 > 7 32 O 0.30476056471721 0.47731961965017 0.26712579277616 15.999 > 8 33 O 0.17255905493296 0.69523943528279 0.26712579277616 15.999 > 9 34 O 0.82744094506704 0.52268038034983 0.23287420722384 15.999 > 10 35 O 0.47731961965017 0.30476056471721 0.23287420722384 15.999 > 11 36 O 0.69523943528279 0.17255905493296 0.23287420722384 15.999 > 12 *37 Na 0.00000000000000 0.00000000000000 0.25000000000000 22.990 > 13 38 Na 0.00000000000000 0.00000000000000 0.75000000000000 22.990 > 14 39 Na 0.66666666666667 0.33333333333333 0.58333333333333 22.990 > 13 40 Na 0.66666666666667 0.33333333333333 0.08333333333333 22.990 > 14 41 Na 0.33333333333333 0.66666666666667 0.91666666666667 22.990 > 13 42 Na 0.33333333333333 0.66666666666667 0.41666666666667 22.990 > 14 *43 Ca 0.69072415200732 0.02405748534066 0.41666666666667 40.078 > 15 44 Ca 0.33333333333333 0.30927584799268 0.41666666666667 40.078 > 16 45 Ca 0.97594251465934 0.66666666666667 0.41666666666667 40.078 > 17 46 Ca 0.30927584799268 0.97594251465934 0.58333333333333 40.078 > 18 47 Ca 0.66666666666667 0.69072415200732 0.58333333333333 40.078 > 19 48 Ca 0.02405748534066 0.33333333333333 0.58333333333333 40.078 > 20 49 Ca 0.35739081867399 0.35739081867399 0.75000000000000 40.078 > 15 50 Ca 0.00000000000000 0.64260918132601 0.75000000000000 40.078 > 16 51 Ca 0.64260918132601 0.00000000000000 0.75000000000000 40.078 > 17 52 Ca 0.97594251465934 0.30927584799268 0.91666666666667 40.078 > 18 53 Ca 0.33333333333333 0.02405748534066 0.91666666666667 40.078 > 19 54 Ca 0.69072415200732 0.66666666666667 0.91666666666667 40.078 > 20 55 Ca 0.02405748534066 0.69072415200732 0.08333333333333 40.078 > 15 56 Ca 0.66666666666667 0.97594251465934 0.08333333333333 40.078 > 16 57 Ca 0.30927584799268 0.33333333333333 0.08333333333333 40.078 > 17 58 Ca 0.64260918132601 0.64260918132601 0.25000000000000 40.078 > 18 59 Ca 0.00000000000000 0.35739081867399 0.25000000000000 40.078 > 19 60 Ca 0.35739081867399 0.00000000000000 0.25000000000000 40.078 > 20 *61 Ru 0.00000000000000 0.00000000000000 0.50000000000000 101.070 > 21 62 Ru 0.00000000000000 0.00000000000000 0.00000000000000 101.070 > 22 63 Ru 0.66666666666667 0.33333333333333 0.83333333333333 101.070 > 21 64 Ru 0.66666666666667 0.33333333333333 0.33333333333333 101.070 > 22 65 Ru 0.33333333333333 0.66666666666667 0.16666666666667 101.070 > 21 66 Ru 0.33333333333333 0.66666666666667 0.66666666666667 101.070 > 22 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 1175.9312182 0.0000000 0.0000000 0.0000000 1175.9312182 0.0000000 0.0000000 0.0000000 319.1049907 -------------------------- Born effective charges -------------------------- 1 O 1.4476910 -0.2848321 1.6202996 -1.3289970 -1.2542521 -1.4458248 -0.4411134 -0.7494421 -2.1394199 2 O 0.1200422 2.0955154 -2.0622708 1.0513506 0.0733968 -0.6803082 -0.4284792 0.7567364 -2.1394199 3 O -1.2775748 -0.2444360 0.4419713 -1.2886008 1.4710138 2.1261330 0.8695926 -0.0072944 -2.1394199 4 O 0.1200422 -2.0955154 2.0622708 -1.0513506 0.0733968 -0.6803082 0.4284792 0.7567364 -2.1394199 5 O 1.4476910 0.2848321 -1.6202996 1.3289970 -1.2542521 -1.4458248 0.4411134 -0.7494421 -2.1394199 6 O -1.2775748 0.2444360 -0.4419713 1.2886008 1.4710138 2.1261330 -0.8695926 -0.0072944 -2.1394199 7 O 1.4476910 -0.2848321 1.6202996 -1.3289970 -1.2542521 -1.4458248 -0.4411134 -0.7494421 -2.1394199 8 O 0.1200422 2.0955154 -2.0622708 1.0513506 0.0733968 -0.6803082 -0.4284792 0.7567364 -2.1394199 9 O -1.2775748 -0.2444360 0.4419713 -1.2886008 1.4710138 2.1261330 0.8695926 -0.0072944 -2.1394199 10 O 0.1200422 -2.0955154 2.0622708 -1.0513506 0.0733968 -0.6803082 0.4284792 0.7567364 -2.1394199 11 O -1.2775748 0.2444360 -0.4419713 1.2886008 1.4710138 2.1261330 -0.8695926 -0.0072944 -2.1394199 12 O 1.4476910 0.2848321 -1.6202996 1.3289970 -1.2542521 -1.4458248 0.4411134 -0.7494421 -2.1394199 13 Na 1.6922378 0.0000000 0.0000000 0.0000000 1.6922378 -0.0000000 0.0000000 0.0000000 1.1683556 14 Na 1.6922378 0.0000000 0.0000000 0.0000000 1.6922378 -0.0000000 0.0000000 0.0000000 1.1683556 15 Ca 0.1493268 2.1877116 -2.0910864 2.1877116 2.6754786 1.2072893 0.1355465 -0.0782578 2.1148459 16 Ca 0.1493268 -2.1877116 2.0910864 -2.1877116 2.6754786 1.2072893 -0.1355465 -0.0782578 2.1148459 17 Ca 3.9385545 0.0000000 0.0000000 0.0000000 -1.1137491 -2.4145786 0.0000000 0.1565156 2.1148459 18 Ca 0.1493268 2.1877116 -2.0910864 2.1877116 2.6754786 1.2072893 0.1355465 -0.0782578 2.1148459 19 Ca 0.1493268 -2.1877116 2.0910864 -2.1877116 2.6754786 1.2072893 -0.1355465 -0.0782578 2.1148459 20 Ca 3.9385545 0.0000000 0.0000000 0.0000000 -1.1137491 -2.4145786 0.0000000 0.1565156 2.1148459 21 Ru -6.5097627 -19.5605560 0.0000000 19.5605560 -6.5097627 -0.0000000 0.0000000 0.0000000 5.3236263 22 Ru -6.5097627 19.5605560 0.0000000 -19.5605560 -6.5097627 -0.0000000 0.0000000 0.0000000 5.3236263 ---------------------------------------------------------------------------- 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: 8193/8193 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 592 Number of blocks in projector: 300 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: 0.296 Solver_block: 200 / 240 - Time: 0.314 Solver_block: 240 / 240 - Time: 0.141 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.762 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 198/198 Permutation basis: 8193/8193 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 592 Number of blocks in projector: 300 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 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 21:27:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:27:56]------------------------- 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 4.550289588044572 2.627110918548280 3.699166746666662 b -4.550289588044564 2.627110918548280 3.699166746666662 c 0.000000000000005 -5.254221837096568 3.699166746666662 Atomic positions (fractional): 1 O 0.21019382687401 0.42811364250663 0.56031515229088 15.999 2 O 0.42811364250663 0.56031515229088 0.21019382687401 15.999 3 O 0.56031515229088 0.21019382687401 0.42811364250663 15.999 4 O 0.93968484770912 0.07188635749337 0.28980617312599 15.999 5 O 0.07188635749337 0.28980617312599 0.93968484770912 15.999 6 O 0.28980617312599 0.93968484770912 0.07188635749337 15.999 7 O 0.78980617312599 0.57188635749337 0.43968484770912 15.999 8 O 0.57188635749337 0.43968484770912 0.78980617312599 15.999 9 O 0.43968484770912 0.78980617312599 0.57188635749337 15.999 10 O 0.06031515229088 0.92811364250663 0.71019382687401 15.999 11 O 0.71019382687401 0.06031515229088 0.92811364250663 15.999 12 O 0.92811364250663 0.71019382687401 0.06031515229088 15.999 13 Na 0.25000000000000 0.25000000000000 0.25000000000000 22.990 14 Na 0.75000000000000 0.75000000000000 0.75000000000000 22.990 15 Ca 0.10739081867399 0.75000000000000 0.39260918132601 40.078 16 Ca 0.75000000000000 0.39260918132601 0.10739081867399 40.078 17 Ca 0.39260918132601 0.10739081867399 0.75000000000000 40.078 18 Ca 0.89260918132601 0.25000000000000 0.60739081867399 40.078 19 Ca 0.25000000000000 0.60739081867399 0.89260918132601 40.078 20 Ca 0.60739081867399 0.89260918132601 0.25000000000000 40.078 21 Ru 0.50000000000000 0.50000000000000 0.50000000000000 101.070 22 Ru 0.00000000000000 0.00000000000000 0.00000000000000 101.070 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.100579176089138 0.000000000000000 0.000000000000000 b -4.550289588044569 7.881332755644849 0.000000000000000 c 0.000000000000000 0.000000000000000 11.097500239999999 Atomic positions (fractional): 1 O 0.81065295298350 0.83922572159963 0.39954087389051 15.999 > 1 2 O 0.02857276861612 0.18934704701650 0.39954087389051 15.999 > 2 3 O 0.16077427840037 0.97142723138388 0.39954087389051 15.999 > 3 4 O 0.50589238826629 0.14398628631683 0.43379245944283 15.999 > 4 5 O 0.63809389805054 0.49410761173371 0.43379245944283 15.999 > 5 6 O 0.85601371368317 0.36190610194946 0.43379245944283 15.999 > 6 7 O 0.18934704701650 0.16077427840037 0.60045912610950 15.999 > 7 8 O 0.97142723138388 0.81065295298350 0.60045912610950 15.999 > 8 9 O 0.83922572159963 0.02857276861612 0.60045912610950 15.999 > 9 10 O 0.49410761173371 0.85601371368317 0.56620754055717 15.999 > 10 11 O 0.14398628631683 0.63809389805054 0.56620754055717 15.999 > 11 12 O 0.36190610194946 0.50589238826629 0.56620754055717 15.999 > 12 13 O 0.47731961965017 0.17255905493296 0.73287420722384 15.999 > 1 14 O 0.69523943528279 0.52268038034983 0.73287420722384 15.999 > 2 15 O 0.82744094506704 0.30476056471721 0.73287420722384 15.999 > 3 16 O 0.17255905493296 0.47731961965017 0.76712579277616 15.999 > 4 17 O 0.30476056471721 0.82744094506704 0.76712579277616 15.999 > 5 18 O 0.52268038034983 0.69523943528279 0.76712579277616 15.999 > 6 19 O 0.85601371368317 0.49410761173371 0.93379245944283 15.999 > 7 20 O 0.63809389805054 0.14398628631683 0.93379245944283 15.999 > 8 21 O 0.50589238826629 0.36190610194946 0.93379245944283 15.999 > 9 22 O 0.16077427840037 0.18934704701650 0.89954087389050 15.999 > 10 23 O 0.81065295298350 0.97142723138388 0.89954087389050 15.999 > 11 24 O 0.02857276861612 0.83922572159963 0.89954087389050 15.999 > 12 25 O 0.14398628631683 0.50589238826629 0.06620754055717 15.999 > 1 26 O 0.36190610194946 0.85601371368317 0.06620754055717 15.999 > 2 27 O 0.49410761173371 0.63809389805054 0.06620754055717 15.999 > 3 28 O 0.83922572159963 0.81065295298350 0.10045912610950 15.999 > 4 29 O 0.97142723138388 0.16077427840037 0.10045912610950 15.999 > 5 30 O 0.18934704701650 0.02857276861612 0.10045912610950 15.999 > 6 31 O 0.52268038034983 0.82744094506704 0.26712579277616 15.999 > 7 32 O 0.30476056471721 0.47731961965017 0.26712579277616 15.999 > 8 33 O 0.17255905493296 0.69523943528279 0.26712579277616 15.999 > 9 34 O 0.82744094506704 0.52268038034983 0.23287420722384 15.999 > 10 35 O 0.47731961965017 0.30476056471721 0.23287420722384 15.999 > 11 36 O 0.69523943528279 0.17255905493296 0.23287420722384 15.999 > 12 37 Na 0.00000000000000 0.00000000000000 0.25000000000000 22.990 > 37 38 Na 0.00000000000000 0.00000000000000 0.75000000000000 22.990 > 38 39 Na 0.66666666666667 0.33333333333333 0.58333333333333 22.990 > 37 40 Na 0.66666666666667 0.33333333333333 0.08333333333333 22.990 > 38 41 Na 0.33333333333333 0.66666666666667 0.91666666666667 22.990 > 37 42 Na 0.33333333333333 0.66666666666667 0.41666666666667 22.990 > 38 43 Ca 0.69072415200732 0.02405748534066 0.41666666666667 40.078 > 43 44 Ca 0.33333333333333 0.30927584799268 0.41666666666667 40.078 > 44 45 Ca 0.97594251465934 0.66666666666667 0.41666666666667 40.078 > 45 46 Ca 0.30927584799268 0.97594251465934 0.58333333333333 40.078 > 46 47 Ca 0.66666666666667 0.69072415200732 0.58333333333333 40.078 > 47 48 Ca 0.02405748534066 0.33333333333333 0.58333333333333 40.078 > 48 49 Ca 0.35739081867399 0.35739081867399 0.75000000000000 40.078 > 43 50 Ca 0.00000000000000 0.64260918132601 0.75000000000000 40.078 > 44 51 Ca 0.64260918132601 0.00000000000000 0.75000000000000 40.078 > 45 52 Ca 0.97594251465934 0.30927584799268 0.91666666666667 40.078 > 46 53 Ca 0.33333333333333 0.02405748534066 0.91666666666667 40.078 > 47 54 Ca 0.69072415200732 0.66666666666667 0.91666666666667 40.078 > 48 55 Ca 0.02405748534066 0.69072415200732 0.08333333333333 40.078 > 43 56 Ca 0.66666666666667 0.97594251465934 0.08333333333333 40.078 > 44 57 Ca 0.30927584799268 0.33333333333333 0.08333333333333 40.078 > 45 58 Ca 0.64260918132601 0.64260918132601 0.25000000000000 40.078 > 46 59 Ca 0.00000000000000 0.35739081867399 0.25000000000000 40.078 > 47 60 Ca 0.35739081867399 0.00000000000000 0.25000000000000 40.078 > 48 61 Ru 0.00000000000000 0.00000000000000 0.50000000000000 101.070 > 61 62 Ru 0.00000000000000 0.00000000000000 0.00000000000000 101.070 > 62 63 Ru 0.66666666666667 0.33333333333333 0.83333333333333 101.070 > 61 64 Ru 0.66666666666667 0.33333333333333 0.33333333333333 101.070 > 62 65 Ru 0.33333333333333 0.66666666666667 0.16666666666667 101.070 > 61 66 Ru 0.33333333333333 0.66666666666667 0.66666666666667 101.070 > 62 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 1175.9312182 0.0000000 0.0000000 0.0000000 1175.9312182 0.0000000 0.0000000 0.0000000 319.1049907 -------------------------- Born effective charges -------------------------- 1 O 1.4476910 -0.2848321 1.6202996 -1.3289970 -1.2542521 -1.4458248 -0.4411134 -0.7494421 -2.1394199 2 O 0.1200422 2.0955154 -2.0622708 1.0513506 0.0733968 -0.6803082 -0.4284792 0.7567364 -2.1394199 3 O -1.2775748 -0.2444360 0.4419713 -1.2886008 1.4710138 2.1261330 0.8695926 -0.0072944 -2.1394199 4 O 0.1200422 -2.0955154 2.0622708 -1.0513506 0.0733968 -0.6803082 0.4284792 0.7567364 -2.1394199 5 O 1.4476910 0.2848321 -1.6202996 1.3289970 -1.2542521 -1.4458248 0.4411134 -0.7494421 -2.1394199 6 O -1.2775748 0.2444360 -0.4419713 1.2886008 1.4710138 2.1261330 -0.8695926 -0.0072944 -2.1394199 7 O 1.4476910 -0.2848321 1.6202996 -1.3289970 -1.2542521 -1.4458248 -0.4411134 -0.7494421 -2.1394199 8 O 0.1200422 2.0955154 -2.0622708 1.0513506 0.0733968 -0.6803082 -0.4284792 0.7567364 -2.1394199 9 O -1.2775748 -0.2444360 0.4419713 -1.2886008 1.4710138 2.1261330 0.8695926 -0.0072944 -2.1394199 10 O 0.1200422 -2.0955154 2.0622708 -1.0513506 0.0733968 -0.6803082 0.4284792 0.7567364 -2.1394199 11 O -1.2775748 0.2444360 -0.4419713 1.2886008 1.4710138 2.1261330 -0.8695926 -0.0072944 -2.1394199 12 O 1.4476910 0.2848321 -1.6202996 1.3289970 -1.2542521 -1.4458248 0.4411134 -0.7494421 -2.1394199 13 Na 1.6922378 0.0000000 0.0000000 0.0000000 1.6922378 -0.0000000 0.0000000 0.0000000 1.1683556 14 Na 1.6922378 0.0000000 0.0000000 0.0000000 1.6922378 -0.0000000 0.0000000 0.0000000 1.1683556 15 Ca 0.1493268 2.1877116 -2.0910864 2.1877116 2.6754786 1.2072893 0.1355465 -0.0782578 2.1148459 16 Ca 0.1493268 -2.1877116 2.0910864 -2.1877116 2.6754786 1.2072893 -0.1355465 -0.0782578 2.1148459 17 Ca 3.9385545 0.0000000 0.0000000 0.0000000 -1.1137491 -2.4145786 0.0000000 0.1565156 2.1148459 18 Ca 0.1493268 2.1877116 -2.0910864 2.1877116 2.6754786 1.2072893 0.1355465 -0.0782578 2.1148459 19 Ca 0.1493268 -2.1877116 2.0910864 -2.1877116 2.6754786 1.2072893 -0.1355465 -0.0782578 2.1148459 20 Ca 3.9385545 0.0000000 0.0000000 0.0000000 -1.1137491 -2.4145786 0.0000000 0.1565156 2.1148459 21 Ru -6.5097627 -19.5605560 0.0000000 19.5605560 -6.5097627 -0.0000000 0.0000000 0.0000000 5.3236263 22 Ru -6.5097627 19.5605560 0.0000000 -19.5605560 -6.5097627 -0.0000000 0.0000000 0.0000000 5.3236263 ---------------------------------------------------------------------------- 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 (xx) -0.00000000 (xx) 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 21:28:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:28:03]------------------------- 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 4.550289588044572 2.627110918548280 3.699166746666662 b -4.550289588044564 2.627110918548280 3.699166746666662 c 0.000000000000005 -5.254221837096568 3.699166746666662 Atomic positions (fractional): 1 O 0.21019382687401 0.42811364250663 0.56031515229088 15.999 2 O 0.42811364250663 0.56031515229088 0.21019382687401 15.999 3 O 0.56031515229088 0.21019382687401 0.42811364250663 15.999 4 O 0.93968484770912 0.07188635749337 0.28980617312599 15.999 5 O 0.07188635749337 0.28980617312599 0.93968484770912 15.999 6 O 0.28980617312599 0.93968484770912 0.07188635749337 15.999 7 O 0.78980617312599 0.57188635749337 0.43968484770912 15.999 8 O 0.57188635749337 0.43968484770912 0.78980617312599 15.999 9 O 0.43968484770912 0.78980617312599 0.57188635749337 15.999 10 O 0.06031515229088 0.92811364250663 0.71019382687401 15.999 11 O 0.71019382687401 0.06031515229088 0.92811364250663 15.999 12 O 0.92811364250663 0.71019382687401 0.06031515229088 15.999 13 Na 0.25000000000000 0.25000000000000 0.25000000000000 22.990 14 Na 0.75000000000000 0.75000000000000 0.75000000000000 22.990 15 Ca 0.10739081867399 0.75000000000000 0.39260918132601 40.078 16 Ca 0.75000000000000 0.39260918132601 0.10739081867399 40.078 17 Ca 0.39260918132601 0.10739081867399 0.75000000000000 40.078 18 Ca 0.89260918132601 0.25000000000000 0.60739081867399 40.078 19 Ca 0.25000000000000 0.60739081867399 0.89260918132601 40.078 20 Ca 0.60739081867399 0.89260918132601 0.25000000000000 40.078 21 Ru 0.50000000000000 0.50000000000000 0.50000000000000 101.070 22 Ru 0.00000000000000 0.00000000000000 0.00000000000000 101.070 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.100579176089138 0.000000000000000 0.000000000000000 b -4.550289588044569 7.881332755644849 0.000000000000000 c 0.000000000000000 0.000000000000000 11.097500239999999 Atomic positions (fractional): 1 O 0.81065295298350 0.83922572159963 0.39954087389051 15.999 > 1 2 O 0.02857276861612 0.18934704701650 0.39954087389051 15.999 > 2 3 O 0.16077427840037 0.97142723138388 0.39954087389051 15.999 > 3 4 O 0.50589238826629 0.14398628631683 0.43379245944283 15.999 > 4 5 O 0.63809389805054 0.49410761173371 0.43379245944283 15.999 > 5 6 O 0.85601371368317 0.36190610194946 0.43379245944283 15.999 > 6 7 O 0.18934704701650 0.16077427840037 0.60045912610950 15.999 > 7 8 O 0.97142723138388 0.81065295298350 0.60045912610950 15.999 > 8 9 O 0.83922572159963 0.02857276861612 0.60045912610950 15.999 > 9 10 O 0.49410761173371 0.85601371368317 0.56620754055717 15.999 > 10 11 O 0.14398628631683 0.63809389805054 0.56620754055717 15.999 > 11 12 O 0.36190610194946 0.50589238826629 0.56620754055717 15.999 > 12 13 O 0.47731961965017 0.17255905493296 0.73287420722384 15.999 > 1 14 O 0.69523943528279 0.52268038034983 0.73287420722384 15.999 > 2 15 O 0.82744094506704 0.30476056471721 0.73287420722384 15.999 > 3 16 O 0.17255905493296 0.47731961965017 0.76712579277616 15.999 > 4 17 O 0.30476056471721 0.82744094506704 0.76712579277616 15.999 > 5 18 O 0.52268038034983 0.69523943528279 0.76712579277616 15.999 > 6 19 O 0.85601371368317 0.49410761173371 0.93379245944283 15.999 > 7 20 O 0.63809389805054 0.14398628631683 0.93379245944283 15.999 > 8 21 O 0.50589238826629 0.36190610194946 0.93379245944283 15.999 > 9 22 O 0.16077427840037 0.18934704701650 0.89954087389050 15.999 > 10 23 O 0.81065295298350 0.97142723138388 0.89954087389050 15.999 > 11 24 O 0.02857276861612 0.83922572159963 0.89954087389050 15.999 > 12 25 O 0.14398628631683 0.50589238826629 0.06620754055717 15.999 > 1 26 O 0.36190610194946 0.85601371368317 0.06620754055717 15.999 > 2 27 O 0.49410761173371 0.63809389805054 0.06620754055717 15.999 > 3 28 O 0.83922572159963 0.81065295298350 0.10045912610950 15.999 > 4 29 O 0.97142723138388 0.16077427840037 0.10045912610950 15.999 > 5 30 O 0.18934704701650 0.02857276861612 0.10045912610950 15.999 > 6 31 O 0.52268038034983 0.82744094506704 0.26712579277616 15.999 > 7 32 O 0.30476056471721 0.47731961965017 0.26712579277616 15.999 > 8 33 O 0.17255905493296 0.69523943528279 0.26712579277616 15.999 > 9 34 O 0.82744094506704 0.52268038034983 0.23287420722384 15.999 > 10 35 O 0.47731961965017 0.30476056471721 0.23287420722384 15.999 > 11 36 O 0.69523943528279 0.17255905493296 0.23287420722384 15.999 > 12 37 Na 0.00000000000000 0.00000000000000 0.25000000000000 22.990 > 37 38 Na 0.00000000000000 0.00000000000000 0.75000000000000 22.990 > 38 39 Na 0.66666666666667 0.33333333333333 0.58333333333333 22.990 > 37 40 Na 0.66666666666667 0.33333333333333 0.08333333333333 22.990 > 38 41 Na 0.33333333333333 0.66666666666667 0.91666666666667 22.990 > 37 42 Na 0.33333333333333 0.66666666666667 0.41666666666667 22.990 > 38 43 Ca 0.69072415200732 0.02405748534066 0.41666666666667 40.078 > 43 44 Ca 0.33333333333333 0.30927584799268 0.41666666666667 40.078 > 44 45 Ca 0.97594251465934 0.66666666666667 0.41666666666667 40.078 > 45 46 Ca 0.30927584799268 0.97594251465934 0.58333333333333 40.078 > 46 47 Ca 0.66666666666667 0.69072415200732 0.58333333333333 40.078 > 47 48 Ca 0.02405748534066 0.33333333333333 0.58333333333333 40.078 > 48 49 Ca 0.35739081867399 0.35739081867399 0.75000000000000 40.078 > 43 50 Ca 0.00000000000000 0.64260918132601 0.75000000000000 40.078 > 44 51 Ca 0.64260918132601 0.00000000000000 0.75000000000000 40.078 > 45 52 Ca 0.97594251465934 0.30927584799268 0.91666666666667 40.078 > 46 53 Ca 0.33333333333333 0.02405748534066 0.91666666666667 40.078 > 47 54 Ca 0.69072415200732 0.66666666666667 0.91666666666667 40.078 > 48 55 Ca 0.02405748534066 0.69072415200732 0.08333333333333 40.078 > 43 56 Ca 0.66666666666667 0.97594251465934 0.08333333333333 40.078 > 44 57 Ca 0.30927584799268 0.33333333333333 0.08333333333333 40.078 > 45 58 Ca 0.64260918132601 0.64260918132601 0.25000000000000 40.078 > 46 59 Ca 0.00000000000000 0.35739081867399 0.25000000000000 40.078 > 47 60 Ca 0.35739081867399 0.00000000000000 0.25000000000000 40.078 > 48 61 Ru 0.00000000000000 0.00000000000000 0.50000000000000 101.070 > 61 62 Ru 0.00000000000000 0.00000000000000 0.00000000000000 101.070 > 62 63 Ru 0.66666666666667 0.33333333333333 0.83333333333333 101.070 > 61 64 Ru 0.66666666666667 0.33333333333333 0.33333333333333 101.070 > 62 65 Ru 0.33333333333333 0.66666666666667 0.16666666666667 101.070 > 61 66 Ru 0.33333333333333 0.66666666666667 0.66666666666667 101.070 > 62 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 1175.9312182 0.0000000 0.0000000 0.0000000 1175.9312182 0.0000000 0.0000000 0.0000000 319.1049907 -------------------------- Born effective charges -------------------------- 1 O 1.4476910 -0.2848321 1.6202996 -1.3289970 -1.2542521 -1.4458248 -0.4411134 -0.7494421 -2.1394199 2 O 0.1200422 2.0955154 -2.0622708 1.0513506 0.0733968 -0.6803082 -0.4284792 0.7567364 -2.1394199 3 O -1.2775748 -0.2444360 0.4419713 -1.2886008 1.4710138 2.1261330 0.8695926 -0.0072944 -2.1394199 4 O 0.1200422 -2.0955154 2.0622708 -1.0513506 0.0733968 -0.6803082 0.4284792 0.7567364 -2.1394199 5 O 1.4476910 0.2848321 -1.6202996 1.3289970 -1.2542521 -1.4458248 0.4411134 -0.7494421 -2.1394199 6 O -1.2775748 0.2444360 -0.4419713 1.2886008 1.4710138 2.1261330 -0.8695926 -0.0072944 -2.1394199 7 O 1.4476910 -0.2848321 1.6202996 -1.3289970 -1.2542521 -1.4458248 -0.4411134 -0.7494421 -2.1394199 8 O 0.1200422 2.0955154 -2.0622708 1.0513506 0.0733968 -0.6803082 -0.4284792 0.7567364 -2.1394199 9 O -1.2775748 -0.2444360 0.4419713 -1.2886008 1.4710138 2.1261330 0.8695926 -0.0072944 -2.1394199 10 O 0.1200422 -2.0955154 2.0622708 -1.0513506 0.0733968 -0.6803082 0.4284792 0.7567364 -2.1394199 11 O -1.2775748 0.2444360 -0.4419713 1.2886008 1.4710138 2.1261330 -0.8695926 -0.0072944 -2.1394199 12 O 1.4476910 0.2848321 -1.6202996 1.3289970 -1.2542521 -1.4458248 0.4411134 -0.7494421 -2.1394199 13 Na 1.6922378 0.0000000 0.0000000 0.0000000 1.6922378 -0.0000000 0.0000000 0.0000000 1.1683556 14 Na 1.6922378 0.0000000 0.0000000 0.0000000 1.6922378 -0.0000000 0.0000000 0.0000000 1.1683556 15 Ca 0.1493268 2.1877116 -2.0910864 2.1877116 2.6754786 1.2072893 0.1355465 -0.0782578 2.1148459 16 Ca 0.1493268 -2.1877116 2.0910864 -2.1877116 2.6754786 1.2072893 -0.1355465 -0.0782578 2.1148459 17 Ca 3.9385545 0.0000000 0.0000000 0.0000000 -1.1137491 -2.4145786 0.0000000 0.1565156 2.1148459 18 Ca 0.1493268 2.1877116 -2.0910864 2.1877116 2.6754786 1.2072893 0.1355465 -0.0782578 2.1148459 19 Ca 0.1493268 -2.1877116 2.0910864 -2.1877116 2.6754786 1.2072893 -0.1355465 -0.0782578 2.1148459 20 Ca 3.9385545 0.0000000 0.0000000 0.0000000 -1.1137491 -2.4145786 0.0000000 0.1565156 2.1148459 21 Ru -6.5097627 -19.5605560 0.0000000 19.5605560 -6.5097627 -0.0000000 0.0000000 0.0000000 5.3236263 22 Ru -6.5097627 19.5605560 0.0000000 -19.5605560 -6.5097627 -0.0000000 0.0000000 0.0000000 5.3236263 ---------------------------------------------------------------------------- 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 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 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: 0.65, Number of G-points: 305, Lambda: 2.01 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 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.07e-04 4.07e-04 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 3.957 ( 0.000 0.000 0.000) 0.000 3.957 ( 0.000 0.000 0.000) 0.000 4.057 ( 0.000 0.000 0.000) 0.000 4.057 ( 0.000 0.000 0.000) 0.000 4.622 ( 0.000 0.000 0.000) 0.000 4.800 ( 0.000 0.000 0.000) 0.000 4.800 ( 0.000 0.000 0.000) 0.000 4.812 ( 0.000 0.000 0.000) 0.000 4.874 ( 0.000 0.000 0.000) 0.000 4.996 ( 0.000 0.000 0.000) 0.000 5.503 ( 0.000 0.000 0.000) 0.000 5.503 ( 0.000 0.000 0.000) 0.000 5.836 ( 0.000 0.000 0.000) 0.000 5.836 ( 0.000 0.000 0.000) 0.000 6.226 ( 0.000 0.000 0.000) 0.000 6.423 ( 0.000 0.000 0.000) 0.000 6.585 ( 0.000 0.000 0.000) 0.000 6.585 ( 0.000 0.000 0.000) 0.000 6.845 ( 0.000 0.000 0.000) 0.000 7.071 ( 0.000 0.000 0.000) 0.000 7.071 ( 0.000 0.000 0.000) 0.000 7.127 ( 0.000 0.000 0.000) 0.000 7.357 ( 0.000 0.000 0.000) 0.000 7.357 ( 0.000 0.000 0.000) 0.000 7.373 ( 0.000 0.000 0.000) 0.000 7.670 ( 0.000 0.000 0.000) 0.000 7.670 ( 0.000 0.000 0.000) 0.000 7.914 ( 0.000 0.000 0.000) 0.000 7.914 ( 0.000 0.000 0.000) 0.000 8.409 ( 0.000 0.000 0.000) 0.000 8.409 ( 0.000 0.000 0.000) 0.000 8.785 ( 0.000 0.000 0.000) 0.000 9.071 ( 0.000 0.000 0.000) 0.000 9.456 ( 0.000 0.000 0.000) 0.000 9.456 ( 0.000 0.000 0.000) 0.000 9.682 ( 0.000 0.000 0.000) 0.000 10.438 ( 0.000 0.000 0.000) 0.000 10.498 ( 0.000 0.000 0.000) 0.000 10.498 ( 0.000 0.000 0.000) 0.000 11.044 ( 0.000 0.000 0.000) 0.000 11.044 ( 0.000 0.000 0.000) 0.000 11.556 ( 0.000 0.000 0.000) 0.000 11.556 ( 0.000 0.000 0.000) 0.000 12.021 ( 0.000 0.000 0.000) 0.000 12.145 ( 0.000 0.000 0.000) 0.000 12.145 ( 0.000 0.000 0.000) 0.000 12.367 ( 0.000 0.000 0.000) 0.000 12.367 ( 0.000 0.000 0.000) 0.000 12.385 ( 0.000 0.000 0.000) 0.000 12.769 ( 0.000 0.000 0.000) 0.000 13.473 ( 0.000 0.000 0.000) 0.000 15.355 ( 0.000 0.000 0.000) 0.000 15.355 ( 0.000 0.000 0.000) 0.000 15.402 ( 0.000 0.000 0.000) 0.000 15.402 ( 0.000 0.000 0.000) 0.000 15.460 ( 0.000 0.000 0.000) 0.000 16.875 ( 0.000 0.000 0.000) 0.000 16.925 ( 0.000 0.000 0.000) 0.000 17.447 ( 0.000 0.000 0.000) 0.000 17.447 ( 0.000 0.000 0.000) 0.000 17.469 ( 0.000 0.000 0.000) 0.000 17.469 ( 0.000 0.000 0.000) 0.000 19.716 ( 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 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.07e-04 4.07e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( 28.825 16.642 16.383) 37.098 0.752 ( 26.783 15.463 22.516) 38.254 1.300 ( 42.220 24.375 44.611) 66.082 3.842 ( -2.561 -1.479 -11.830) 12.194 3.926 ( 2.672 1.543 -9.215) 9.718 4.175 ( 1.701 0.982 14.628) 14.760 4.248 ( 1.606 0.927 10.655) 10.816 4.621 ( 1.680 0.970 -2.489) 3.156 4.656 ( -8.540 -4.931 -1.735) 10.013 4.685 ( -5.195 -2.999 -7.568) 9.657 4.778 ( -0.952 -0.550 -0.364) 1.158 5.024 ( 1.404 0.810 1.727) 2.368 5.028 ( 9.198 5.310 1.356) 10.707 5.495 ( 0.672 0.388 -0.903) 1.191 5.518 ( 0.573 0.331 -3.224) 3.291 5.785 ( 1.027 0.593 -8.208) 8.293 5.942 ( 8.885 5.130 1.182) 10.327 6.241 ( 0.683 0.395 0.701) 1.055 6.388 ( -4.105 -2.370 -0.426) 4.759 6.539 ( -2.846 -1.643 -2.539) 4.152 6.566 ( -2.008 -1.160 0.035) 2.319 6.762 ( -4.200 -2.425 -6.208) 7.878 6.894 ( -11.321 -6.536 -0.455) 13.081 7.035 ( -1.797 -1.038 -3.773) 4.306 7.172 ( -0.177 -0.102 -2.631) 2.639 7.286 ( -5.356 -3.092 -4.669) 7.749 7.412 ( 2.514 1.452 5.343) 6.081 7.434 ( 3.057 1.765 4.086) 5.400 7.660 ( -0.943 -0.544 2.677) 2.890 7.680 ( -0.842 -0.486 3.741) 3.866 7.902 ( -1.984 -1.145 0.795) 2.424 7.918 ( -1.592 -0.919 2.087) 2.781 8.365 ( -1.223 -0.706 -5.076) 5.269 8.407 ( 2.131 1.231 -4.289) 4.945 8.841 ( 4.099 2.366 2.056) 5.160 9.137 ( -0.076 -0.044 11.356) 11.356 9.490 ( 0.952 0.550 4.310) 4.448 9.536 ( 4.906 2.833 5.402) 7.828 9.674 ( -2.656 -1.533 2.067) 3.698 10.403 ( -1.374 -0.793 -6.469) 6.660 10.432 ( -4.250 -2.454 -3.652) 6.117 10.471 ( -2.919 -1.685 1.062) 3.534 11.025 ( 2.203 1.272 -7.194) 7.630 11.051 ( 0.702 0.405 -0.874) 1.192 11.548 ( -0.850 -0.491 0.778) 1.253 11.562 ( 0.318 0.184 0.558) 0.668 12.029 ( -2.491 -1.438 2.843) 4.045 12.139 ( 1.166 0.673 -0.107) 1.351 12.141 ( -2.004 -1.157 0.125) 2.318 12.300 ( -1.854 -1.070 -0.577) 2.217 12.368 ( 1.463 0.845 -2.946) 3.396 12.467 ( 6.057 3.497 -2.057) 7.290 12.773 ( -0.520 -0.300 1.697) 1.800 13.422 ( -2.946 -1.701 -4.076) 5.310 15.159 ( -13.949 -8.053 5.204) 16.927 15.251 ( -1.599 -0.923 -9.018) 9.205 15.481 ( 5.551 3.205 1.587) 6.603 15.525 ( 3.827 2.209 8.591) 9.660 15.729 ( 14.774 8.530 4.857) 17.738 16.774 ( -8.138 -4.698 -4.140) 10.268 16.912 ( -1.889 -1.091 3.354) 4.001 17.260 ( 3.768 2.175 -12.517) 13.251 17.337 ( 4.786 2.763 -20.673) 21.399 17.522 ( -8.532 -4.926 16.108) 18.882 17.874 ( 12.909 7.453 20.290) 25.176 19.684 ( -1.738 -1.003 -2.903) 3.529 ======================= 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 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.07e-04 4.07e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 28.445 16.423 15.716) 36.412 1.480 ( 25.131 14.509 21.888) 36.347 2.523 ( 37.917 21.892 40.713) 59.787 3.611 ( -7.140 -4.122 -14.195) 16.415 3.772 ( -12.168 -7.025 -6.660) 15.549 4.378 ( 4.429 2.557 3.823) 6.385 4.391 ( -0.800 -0.462 12.560) 12.594 4.482 ( -1.334 -0.770 -3.360) 3.696 4.631 ( 4.313 2.490 1.475) 5.194 4.633 ( 2.526 1.458 -1.729) 3.390 4.820 ( 6.804 3.928 0.566) 7.877 5.066 ( 0.476 0.275 2.174) 2.243 5.208 ( 8.266 4.772 1.195) 9.619 5.382 ( -5.789 -3.342 -10.102) 12.114 5.517 ( 2.911 1.681 -1.936) 3.879 5.708 ( -0.360 -0.208 -9.688) 9.697 6.078 ( -1.067 -0.616 -1.010) 1.593 6.243 ( -0.692 -0.400 -0.646) 1.027 6.279 ( -0.689 -0.398 -2.970) 3.075 6.421 ( -5.381 -3.107 -8.999) 10.936 6.511 ( -5.682 -3.280 2.766) 7.120 6.625 ( -1.329 -0.767 -3.266) 3.608 6.741 ( -5.713 -3.298 3.730) 7.579 6.911 ( -6.260 -3.614 -5.524) 9.098 7.079 ( -5.921 -3.419 -2.293) 7.211 7.094 ( -5.071 -2.928 -8.930) 10.678 7.510 ( 2.863 1.653 1.150) 3.500 7.520 ( 1.686 0.973 2.610) 3.256 7.735 ( 2.211 1.276 7.106) 7.551 7.745 ( -0.857 -0.495 10.617) 10.663 7.875 ( -2.320 -1.339 2.550) 3.698 7.891 ( -3.412 -1.970 2.161) 4.493 8.267 ( -0.782 -0.452 -8.537) 8.585 8.376 ( 1.288 0.744 -7.535) 7.681 8.955 ( 5.533 3.195 1.935) 6.676 9.308 ( -0.206 -0.119 18.302) 18.304 9.583 ( 1.835 1.060 7.352) 7.651 9.607 ( -7.059 -4.076 1.460) 8.281 9.727 ( 6.603 3.812 7.828) 10.927 10.226 ( -7.346 -4.241 -6.128) 10.464 10.339 ( 1.523 0.879 -10.886) 11.027 10.449 ( -1.002 -0.578 2.119) 2.414 10.961 ( 1.958 1.131 -10.538) 10.778 11.033 ( -1.743 -1.006 -0.867) 2.191 11.558 ( 0.724 0.418 1.349) 1.587 11.576 ( 1.120 0.647 -0.481) 1.380 11.988 ( -2.308 -1.332 -0.916) 2.818 12.054 ( -6.347 -3.664 -0.191) 7.331 12.202 ( 2.142 1.236 3.581) 4.352 12.298 ( 1.314 0.758 -0.939) 1.784 12.365 ( 1.786 1.031 -1.334) 2.456 12.547 ( 5.766 3.329 -3.599) 7.569 12.792 ( -0.422 -0.244 3.531) 3.564 13.284 ( -4.827 -2.787 -7.184) 9.092 15.002 ( -11.847 -6.840 8.780) 16.256 15.111 ( -0.089 -0.052 -12.528) 12.528 15.645 ( 9.300 5.369 2.602) 11.050 15.722 ( 4.058 2.343 13.282) 14.084 16.042 ( 12.047 6.956 5.106) 14.819 16.555 ( -9.350 -5.398 -4.538) 11.712 16.954 ( 2.143 1.237 3.958) 4.668 17.183 ( 3.797 2.192 -19.456) 19.944 17.232 ( 4.564 2.635 -8.676) 10.151 17.509 ( -10.573 -6.105 12.606) 17.549 18.345 ( 13.615 7.861 18.990) 24.654 19.584 ( -3.800 -2.194 -6.003) 7.436 ======================= 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 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.07e-04 4.07e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( 27.740 16.016 14.541) 35.177 2.157 ( 22.310 12.880 20.719) 33.059 3.243 ( -12.341 -7.125 -16.180) 21.560 3.343 ( -23.036 -13.300 -9.440) 28.225 3.567 ( 27.444 15.845 31.614) 44.762 4.316 ( 0.724 0.418 -10.194) 10.228 4.483 ( -1.633 -0.943 8.726) 8.927 4.631 ( 4.324 2.496 9.372) 10.619 4.723 ( 5.883 3.397 5.265) 8.595 4.829 ( 11.116 6.418 2.196) 13.022 5.043 ( 12.556 7.249 4.104) 15.069 5.081 ( 1.226 0.708 -0.106) 1.420 5.105 ( -4.710 -2.719 -14.961) 15.919 5.370 ( 3.804 2.196 1.472) 4.633 5.517 ( -2.601 -1.502 -1.666) 3.435 5.524 ( -6.150 -3.551 -8.666) 11.203 5.835 ( -13.050 -7.535 -5.118) 15.915 6.054 ( -14.560 -8.406 -14.121) 21.956 6.271 ( 1.630 0.941 -1.204) 2.235 6.362 ( 4.832 2.790 0.786) 5.634 6.437 ( -5.521 -3.187 4.280) 7.678 6.660 ( 5.422 3.130 -2.256) 6.654 6.708 ( -6.327 -3.653 -5.882) 9.379 6.764 ( 0.939 0.542 5.974) 6.072 6.929 ( -7.945 -4.587 -0.806) 9.209 6.950 ( -1.150 -0.664 -7.123) 7.245 7.541 ( 1.239 0.715 -1.298) 1.932 7.556 ( -0.830 -0.479 2.320) 2.510 7.802 ( 1.410 0.814 -2.899) 3.325 7.809 ( -1.205 -0.696 2.321) 2.706 7.918 ( -1.499 -0.866 11.984) 12.108 7.939 ( -0.945 -0.545 14.110) 14.152 8.158 ( 0.828 0.478 -10.052) 10.097 8.280 ( -0.357 -0.206 -10.666) 10.674 9.086 ( 6.703 3.870 1.656) 7.915 9.417 ( -7.442 -4.297 0.193) 8.596 9.563 ( -2.194 -1.267 19.569) 19.732 9.717 ( 2.525 1.458 9.138) 9.592 9.878 ( 3.335 1.925 -2.409) 4.542 10.032 ( -5.425 -3.132 -6.625) 9.118 10.276 ( 3.970 2.292 -5.414) 7.094 10.456 ( -0.341 -0.197 -1.217) 1.279 10.886 ( 2.131 1.230 -7.501) 7.894 10.971 ( -4.023 -2.322 -0.225) 4.650 11.593 ( 2.093 1.208 -1.684) 2.945 11.595 ( 1.302 0.752 1.124) 1.877 11.938 ( -0.594 -0.343 -3.218) 3.290 11.943 ( -5.881 -3.395 1.929) 7.059 12.256 ( -0.140 -0.081 2.990) 2.995 12.302 ( 1.175 0.678 -2.577) 2.912 12.434 ( 3.244 1.873 4.362) 5.750 12.582 ( 2.822 1.629 -4.725) 5.739 12.842 ( 0.460 0.266 5.540) 5.566 13.103 ( -4.691 -2.708 -8.471) 10.054 14.921 ( -9.044 -5.222 10.832) 15.046 14.984 ( 2.525 1.458 -13.253) 13.570 15.863 ( 10.077 5.818 3.983) 12.298 15.957 ( 3.772 2.178 14.656) 15.289 16.233 ( 6.477 3.739 -3.568) 8.287 16.336 ( -10.518 -6.073 -2.063) 12.320 17.064 ( 4.378 2.528 2.710) 5.736 17.073 ( 4.215 2.433 -11.368) 12.366 17.211 ( 4.203 2.427 -8.069) 9.416 17.422 ( -11.951 -6.900 8.817) 16.376 18.780 ( 11.872 6.855 16.282) 21.284 19.405 ( -6.326 -3.652 -9.373) 11.883 ======================= 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 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.07e-04 4.07e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.738 ( 1.292 0.746 -4.669) 4.902 2.738 ( -1.292 -0.746 4.669) 4.902 2.776 ( -6.831 -3.944 1.758) 8.081 2.776 ( 6.831 3.944 -1.758) 8.081 4.164 ( -6.913 -3.991 -14.405) 16.469 4.164 ( 6.913 3.991 14.405) 16.469 4.622 ( -6.990 -4.036 -7.796) 11.222 4.622 ( 6.990 4.036 7.796) 11.222 4.884 ( 0.237 0.137 -6.779) 6.785 4.884 ( -0.237 -0.137 6.779) 6.785 5.051 ( -0.365 -0.211 -1.407) 1.469 5.051 ( 0.365 0.211 1.407) 1.469 5.358 ( -7.962 -4.597 2.416) 9.505 5.358 ( 7.962 4.597 -2.416) 9.505 5.394 ( -9.583 -5.533 -7.883) 13.587 5.394 ( 9.583 5.533 7.884) 13.587 5.700 ( -4.717 -2.723 -1.285) 5.596 5.700 ( 4.717 2.723 1.285) 5.596 6.328 ( -5.712 -3.298 2.099) 6.921 6.328 ( 5.712 3.298 -2.099) 6.921 6.523 ( -5.266 -3.040 -5.128) 7.954 6.523 ( 5.266 3.040 5.128) 7.954 6.782 ( -7.204 -4.159 0.187) 8.320 6.782 ( 7.204 4.159 -0.187) 8.320 6.861 ( -0.558 -0.322 -6.855) 6.886 6.861 ( 0.558 0.322 6.855) 6.886 7.549 ( 1.807 1.043 -1.744) 2.719 7.549 ( -1.807 -1.043 1.744) 2.719 7.801 ( 1.365 0.788 -1.266) 2.022 7.801 ( -1.365 -0.788 1.266) 2.022 8.018 ( 0.002 0.001 -5.307) 5.307 8.018 ( -0.002 -0.001 5.307) 5.307 8.142 ( -1.386 -0.800 -8.474) 8.624 8.142 ( 1.386 0.800 8.474) 8.624 9.243 ( -8.265 -4.772 -2.013) 9.754 9.243 ( 8.265 4.772 2.013) 9.754 9.770 ( 0.140 0.081 -17.344) 17.345 9.770 ( -0.140 -0.081 17.344) 17.345 9.874 ( -2.887 -1.667 -9.383) 9.957 9.874 ( 2.887 1.667 9.383) 9.957 10.374 ( -3.703 -2.138 -5.677) 7.107 10.374 ( 3.703 2.138 5.677) 7.107 10.897 ( -4.169 -2.407 1.514) 5.047 10.897 ( 4.169 2.407 -1.514) 5.047 11.611 ( 1.273 0.735 -1.359) 2.002 11.611 ( -1.273 -0.735 1.359) 2.002 11.904 ( 1.920 1.108 -3.806) 4.404 11.904 ( -1.920 -1.108 3.806) 4.404 12.284 ( 0.718 0.414 -3.487) 3.584 12.284 ( -0.717 -0.414 3.487) 3.584 12.538 ( -1.194 -0.689 -5.474) 5.645 12.538 ( 1.194 0.689 5.474) 5.645 12.942 ( -2.544 -1.469 -7.622) 8.168 12.942 ( 2.544 1.469 7.622) 8.168 14.915 ( 5.832 3.367 -12.307) 14.029 14.915 ( -5.832 -3.367 12.307) 14.029 16.081 ( -4.755 -2.745 -6.198) 8.280 16.081 ( 4.755 2.745 6.198) 8.280 16.198 ( 5.605 3.236 -16.634) 17.848 16.198 ( -5.605 -3.236 16.634) 17.849 17.085 ( -3.413 -1.971 1.357) 4.168 17.085 ( 3.413 1.971 -1.357) 4.168 17.284 ( -11.487 -6.632 6.103) 14.600 17.284 ( 11.487 6.632 -6.103) 14.600 19.138 ( -9.168 -5.293 -12.902) 16.690 19.138 ( 9.168 5.293 12.902) 16.690 ======================= 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 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.07e-04 4.07e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 0.000 19.269 30.793) 36.325 1.027 ( 0.000 20.345 30.346) 36.535 1.896 ( 0.000 35.296 56.622) 66.722 3.730 ( -0.000 1.183 -9.647) 9.720 3.842 ( -0.000 4.760 -7.169) 8.605 4.334 ( 0.000 -3.268 10.900) 11.379 4.357 ( 0.000 2.478 11.449) 11.714 4.571 ( -0.000 2.144 -5.695) 6.085 4.590 ( -0.000 0.702 -11.008) 11.031 4.658 ( 0.000 -7.539 -1.220) 7.637 4.809 ( 0.000 -0.909 2.864) 3.005 4.989 ( -0.000 7.345 -1.580) 7.513 5.027 ( 0.000 -2.362 1.816) 2.980 5.455 ( -0.000 -0.839 -2.315) 2.463 5.504 ( -0.000 3.872 -4.387) 5.851 5.718 ( -0.000 3.082 -11.440) 11.848 5.882 ( -0.000 5.422 -0.962) 5.507 6.264 ( -0.000 1.781 1.988) 2.668 6.383 ( 0.000 -6.830 -0.512) 6.850 6.523 ( 0.000 -3.811 -2.088) 4.346 6.550 ( -0.000 -0.887 -1.473) 1.719 6.669 ( -0.000 -4.317 -9.042) 10.020 6.909 ( 0.000 -8.653 -0.333) 8.660 6.956 ( -0.000 -1.639 -6.229) 6.441 7.184 ( -0.000 0.987 0.266) 1.023 7.271 ( 0.000 -6.264 -5.331) 8.225 7.376 ( -0.000 -0.268 -0.782) 0.826 7.473 ( -0.000 1.607 2.220) 2.741 7.693 ( 0.000 -2.356 4.217) 4.831 7.757 ( 0.000 1.625 9.412) 9.551 7.913 ( 0.000 -4.260 2.605) 4.994 7.948 ( 0.000 -2.401 2.521) 3.481 8.313 ( -0.000 1.837 -9.332) 9.511 8.320 ( -0.000 0.450 -6.240) 6.256 8.878 ( -0.000 3.898 4.046) 5.618 9.315 ( 0.000 -0.288 19.428) 19.430 9.588 ( 0.000 2.089 9.250) 9.483 9.591 ( 0.000 4.243 7.722) 8.811 9.713 ( 0.000 -3.604 4.453) 5.729 10.298 ( -0.000 0.299 -12.334) 12.337 10.376 ( 0.000 -7.295 -4.550) 8.597 10.476 ( 0.000 -2.701 -0.545) 2.756 10.898 ( -0.000 -2.914 -8.599) 9.079 11.079 ( -0.000 9.352 -2.902) 9.792 11.543 ( 0.000 -1.614 -1.660) 2.316 11.553 ( 0.000 -0.761 -0.299) 0.818 12.096 ( 0.000 -1.943 -2.506) 3.172 12.116 ( 0.000 -0.903 5.946) 6.014 12.169 ( 0.000 0.892 3.214) 3.335 12.243 ( 0.000 -4.866 -2.836) 5.632 12.390 ( -0.000 5.388 -2.005) 5.749 12.398 ( -0.000 4.658 -5.333) 7.081 12.796 ( 0.000 -0.615 2.673) 2.743 13.354 ( -0.000 -3.179 -7.937) 8.550 15.113 ( 0.000 -9.096 -4.722) 10.248 15.350 ( 0.000 -12.999 3.282) 13.406 15.401 ( -0.000 9.449 -1.414) 9.555 15.573 ( 0.000 1.320 10.417) 10.500 15.878 ( -0.000 20.295 10.345) 22.779 16.733 ( 0.000 -10.407 -5.025) 11.556 16.928 ( 0.000 -3.387 2.194) 4.036 17.016 ( -0.000 -2.799 -11.899) 12.224 17.244 ( -0.000 15.036 -13.355) 20.111 17.753 ( 0.000 -5.528 14.959) 15.948 18.061 ( 0.000 10.111 20.486) 22.846 19.636 ( -0.000 -1.983 -5.636) 5.974 ======================= 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 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.07e-04 4.07e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 9.514 19.666 26.034) 33.986 1.641 ( 13.657 17.671 28.774) 36.424 2.893 ( 15.196 29.431 49.877) 59.873 3.578 ( -9.369 0.657 -8.876) 12.922 3.810 ( -5.263 1.435 -3.895) 6.702 4.248 ( -1.160 -2.683 -13.548) 13.860 4.478 ( 1.242 -0.755 5.773) 5.953 4.550 ( 3.762 2.312 -4.235) 6.119 4.584 ( 5.389 -0.240 6.337) 8.322 4.669 ( -0.987 6.569 4.602) 8.081 4.828 ( -1.235 4.266 3.319) 5.544 5.026 ( 3.226 -7.327 -0.622) 8.030 5.089 ( 9.343 0.012 -0.834) 9.380 5.372 ( -7.080 1.504 -3.372) 7.985 5.507 ( 0.232 5.092 -4.995) 7.137 5.573 ( -0.151 3.780 -13.552) 14.070 6.002 ( 9.067 0.646 0.304) 9.095 6.246 ( -4.973 -7.112 -2.289) 8.975 6.297 ( -3.348 -1.621 1.251) 3.924 6.381 ( -6.744 -3.977 -6.947) 10.467 6.548 ( 0.177 -4.035 -3.292) 5.210 6.557 ( 2.353 -2.004 -1.040) 3.261 6.809 ( -4.301 -2.790 1.235) 5.273 6.889 ( -1.819 -2.515 -4.486) 5.456 7.059 ( -8.076 -4.963 -7.880) 12.327 7.144 ( -6.367 -2.205 1.318) 6.866 7.420 ( 7.042 -0.576 -3.151) 7.736 7.512 ( 2.628 -1.246 1.000) 3.076 7.712 ( 3.048 -2.594 -1.460) 4.261 7.857 ( -2.330 1.021 0.617) 2.617 7.936 ( 0.678 -4.044 14.496) 15.064 7.967 ( -0.125 -3.295 6.397) 7.197 8.187 ( -2.480 1.606 -9.718) 10.157 8.266 ( 1.450 -0.161 -8.565) 8.688 8.969 ( 1.912 3.902 3.796) 5.770 9.533 ( -1.483 -1.309 18.612) 18.717 9.674 ( -2.827 -2.171 6.844) 7.716 9.711 ( -2.736 -1.236 10.112) 10.548 9.780 ( 3.455 4.016 7.740) 9.379 10.152 ( 0.850 0.425 -13.116) 13.151 10.231 ( -3.496 -5.954 -5.410) 8.772 10.450 ( 0.331 -1.752 -0.456) 1.840 10.799 ( 2.997 -2.680 -8.161) 9.098 11.099 ( -3.995 8.381 -2.557) 9.630 11.514 ( 3.061 -1.531 -4.397) 5.572 11.546 ( 1.090 0.617 -1.448) 1.915 12.009 ( -4.202 -1.094 -2.061) 4.806 12.113 ( -4.922 -2.351 0.429) 5.471 12.227 ( 3.777 -1.544 -0.550) 4.117 12.257 ( 1.232 1.426 6.560) 6.825 12.362 ( 0.518 3.511 -2.594) 4.396 12.453 ( 4.816 4.559 -3.662) 7.576 12.828 ( 0.393 -0.337 3.412) 3.451 13.203 ( -2.078 -3.838 -10.672) 11.530 14.966 ( -0.946 -4.799 -9.520) 10.703 15.209 ( -10.282 -10.349 9.111) 17.200 15.555 ( 9.605 7.942 -0.921) 12.497 15.759 ( 8.239 -0.673 9.030) 12.242 16.148 ( 0.031 17.478 6.621) 18.690 16.558 ( -3.974 -8.959 -3.281) 10.336 16.882 ( 0.829 -4.203 -2.728) 5.079 16.999 ( 6.040 1.333 -1.705) 6.416 17.229 ( -2.641 13.887 -7.322) 15.920 17.773 ( -11.041 -5.349 12.367) 17.420 18.448 ( 10.344 8.609 18.390) 22.788 19.523 ( -2.160 -3.101 -8.442) 9.250 ======================= 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 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.07e-04 4.07e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( 15.844 18.814 20.714) 32.157 2.286 ( 15.258 15.493 26.082) 33.957 3.259 ( -17.836 -1.943 -10.375) 20.726 3.473 ( -22.884 -8.142 -9.142) 25.953 3.826 ( 12.865 19.447 35.650) 42.598 4.187 ( 4.171 4.339 -6.748) 9.042 4.557 ( 2.356 0.339 1.000) 2.582 4.625 ( 9.172 6.687 -0.099) 11.351 4.744 ( 4.875 5.530 3.956) 8.367 4.816 ( 7.714 2.186 7.062) 10.685 4.915 ( 1.187 -8.510 -5.108) 9.996 5.001 ( 7.330 6.183 0.532) 9.604 5.110 ( -3.871 -1.054 0.434) 4.036 5.332 ( 3.674 3.765 -0.145) 5.262 5.430 ( -3.012 -2.653 -11.727) 12.394 5.491 ( 0.968 1.539 -3.682) 4.106 5.916 ( -12.677 -9.591 -1.336) 15.952 6.055 ( -13.090 -5.279 -9.743) 17.151 6.265 ( 0.703 -1.978 0.883) 2.277 6.283 ( 6.290 0.948 0.068) 6.361 6.505 ( -2.067 -3.838 0.949) 4.461 6.582 ( 4.869 -1.163 -0.280) 5.013 6.699 ( -6.782 -4.507 -5.818) 10.008 6.831 ( 0.133 4.431 2.940) 5.319 6.917 ( -2.674 2.967 -4.861) 6.291 7.027 ( -9.177 -5.479 3.680) 11.304 7.454 ( 4.962 -1.729 -4.446) 6.883 7.527 ( 2.958 -4.444 -1.462) 5.536 7.718 ( 4.730 -0.284 -4.088) 6.258 7.817 ( -1.151 -2.056 0.155) 2.361 8.002 ( 0.865 -1.836 -2.328) 3.089 8.069 ( 0.292 -1.721 0.888) 1.959 8.109 ( -1.284 -1.869 4.715) 5.232 8.171 ( -0.711 -0.070 -0.380) 0.809 9.078 ( 3.778 3.795 3.333) 6.308 9.504 ( -9.485 -6.177 1.407) 11.406 9.758 ( -0.395 -1.693 11.176) 11.311 9.783 ( -0.928 1.088 -13.132) 13.210 9.847 ( -0.420 -1.325 13.745) 13.815 10.035 ( -6.858 -0.781 -1.045) 6.981 10.225 ( 6.450 2.732 5.833) 9.115 10.423 ( -0.162 -1.239 -3.948) 4.141 10.776 ( 4.840 -0.547 -2.354) 5.410 11.040 ( -6.339 1.560 -1.458) 6.689 11.504 ( 5.270 0.868 -6.540) 8.444 11.573 ( 2.806 2.596 -1.594) 4.142 11.931 ( -2.962 0.402 -2.855) 4.134 12.030 ( -5.970 -2.171 2.989) 7.021 12.257 ( 1.587 1.032 -1.680) 2.531 12.297 ( -0.282 0.854 1.030) 1.368 12.440 ( 5.245 0.699 2.194) 5.728 12.506 ( 2.632 2.802 -0.798) 3.927 12.884 ( 1.632 0.588 4.164) 4.511 13.015 ( -2.326 -3.183 -11.526) 12.182 14.822 ( 1.033 -1.451 -10.935) 11.079 15.124 ( -8.692 -8.715 12.259) 17.372 15.760 ( 12.168 7.665 -0.816) 14.404 15.930 ( 9.582 -4.108 -0.047) 10.426 16.225 ( -3.756 6.429 -4.949) 8.941 16.446 ( -6.140 -4.273 5.363) 9.204 16.914 ( 5.521 1.417 2.197) 6.109 17.100 ( 4.559 4.522 1.991) 6.722 17.219 ( -5.458 10.985 -1.453) 12.352 17.670 ( -14.691 -5.715 9.259) 18.282 18.849 ( 11.105 6.691 14.923) 19.768 19.334 ( -4.878 -4.458 -11.402) 13.179 ======================= 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 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.07e-04 4.07e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.731 ( 17.959 16.778 15.340) 28.971 2.806 ( -22.480 -4.194 -10.689) 25.243 2.876 ( 7.370 10.500 18.797) 22.757 2.922 ( -24.120 -6.668 -7.862) 26.230 4.114 ( -5.387 -0.138 -7.656) 9.362 4.293 ( -1.670 0.482 8.034) 8.220 4.594 ( -2.146 -0.234 -2.265) 3.129 4.703 ( -7.471 1.671 -0.461) 7.670 4.800 ( 4.542 3.574 -5.311) 7.850 4.927 ( 6.725 4.463 4.036) 9.024 4.987 ( 6.780 -0.855 -2.952) 7.444 5.047 ( 5.421 2.762 5.819) 8.419 5.239 ( 0.543 -4.137 -5.328) 6.768 5.320 ( 4.107 -4.079 -0.414) 5.803 5.375 ( 4.114 3.618 1.988) 5.828 5.480 ( -2.812 0.418 3.076) 4.188 5.724 ( -3.012 0.049 3.968) 4.981 5.762 ( -7.001 -1.453 -0.112) 7.151 6.255 ( 2.987 -0.583 -1.736) 3.503 6.368 ( -0.219 -3.987 1.003) 4.117 6.484 ( -1.294 -2.311 -5.259) 5.889 6.543 ( 2.346 3.115 3.787) 5.436 6.713 ( 7.063 0.143 2.530) 7.504 6.836 ( -5.671 2.615 -4.224) 7.539 6.885 ( -5.197 1.728 2.234) 5.915 6.962 ( -2.210 0.136 7.375) 7.700 7.444 ( 5.713 -3.285 -5.327) 8.474 7.505 ( 3.494 -4.175 -3.382) 6.409 7.735 ( 3.092 -1.806 -2.413) 4.318 7.811 ( 0.765 0.525 0.303) 0.976 7.917 ( 0.827 -0.045 -12.445) 12.473 7.932 ( -1.406 -3.302 -10.641) 11.230 8.153 ( 2.040 -4.070 7.390) 8.679 8.295 ( -1.830 1.314 13.577) 13.762 9.214 ( 6.216 3.785 3.407) 8.036 9.327 ( -10.269 -5.038 0.545) 11.451 9.564 ( -1.789 0.506 -19.403) 19.492 9.774 ( -0.626 -6.124 -4.978) 7.917 9.928 ( -0.660 2.761 7.321) 7.852 10.032 ( -5.922 0.602 8.855) 10.670 10.360 ( -1.713 -2.359 0.999) 3.082 10.409 ( 3.567 1.761 6.668) 7.764 10.851 ( 4.434 2.711 0.125) 5.199 10.959 ( -3.455 -2.242 3.193) 5.211 11.532 ( 5.911 1.609 -4.674) 7.706 11.606 ( 2.084 2.252 -2.189) 3.769 11.861 ( -1.389 -0.316 -3.880) 4.133 12.001 ( -4.479 1.164 5.181) 6.947 12.247 ( 0.267 0.807 -2.364) 2.512 12.324 ( -0.003 0.550 1.907) 1.984 12.468 ( 1.888 -0.827 -5.225) 5.617 12.584 ( 1.458 0.299 5.758) 5.947 12.852 ( -0.347 -1.482 -9.844) 9.961 12.982 ( 3.696 1.780 4.988) 6.458 14.737 ( 4.101 0.542 -9.630) 10.481 15.109 ( -6.097 -5.847 13.508) 15.932 15.901 ( 5.882 -4.519 -11.482) 13.670 15.998 ( 12.081 4.845 -1.487) 13.101 16.090 ( -5.197 -0.980 -9.046) 10.478 16.446 ( -7.068 -0.708 11.788) 13.762 17.005 ( 6.273 -1.313 -3.838) 7.471 17.227 ( -4.141 6.034 11.007) 13.218 17.264 ( -1.012 12.567 3.017) 12.964 17.502 ( -15.298 -5.900 6.585) 17.669 19.058 ( -8.038 -5.968 -14.404) 17.542 19.183 ( 9.505 4.703 10.947) 15.241 ======================= 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 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.07e-04 4.07e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( -29.860 -6.253 -11.821) 32.718 2.298 ( -32.373 -8.856 -9.930) 35.001 3.278 ( 18.046 14.923 11.350) 26.022 3.374 ( 9.968 9.570 19.485) 23.887 3.625 ( -35.620 -9.880 -18.174) 41.191 4.230 ( 4.626 -8.996 -7.731) 12.732 4.541 ( -5.479 1.306 -6.623) 8.694 4.599 ( -6.325 7.310 1.702) 9.815 4.718 ( -3.980 1.650 -6.650) 7.924 4.931 ( -9.240 -5.758 0.232) 10.890 5.045 ( 0.834 -2.186 1.810) 2.958 5.102 ( -9.270 -6.902 -6.261) 13.144 5.217 ( 3.288 -2.165 9.809) 10.569 5.355 ( 0.793 -0.862 -0.965) 1.518 5.438 ( 13.529 2.923 2.434) 14.053 5.517 ( 6.604 3.002 2.834) 7.788 5.827 ( 5.515 4.696 6.632) 9.821 6.087 ( 15.522 9.945 15.211) 23.900 6.275 ( 2.966 -3.640 -0.744) 4.754 6.342 ( 0.577 0.041 -0.343) 0.672 6.367 ( -1.327 -2.523 -5.091) 5.835 6.690 ( -4.875 -2.148 -2.457) 5.866 6.725 ( 5.953 4.713 6.010) 9.683 6.801 ( -7.979 -0.043 1.432) 8.107 6.892 ( 6.255 2.817 4.040) 7.961 7.044 ( -0.475 3.739 6.630) 7.626 7.453 ( 6.779 -3.092 -4.808) 8.867 7.495 ( 4.041 -2.332 -2.988) 5.541 7.703 ( 1.392 -2.466 -6.632) 7.211 7.731 ( 2.383 -3.550 -13.990) 14.629 7.823 ( -1.044 -1.445 -1.838) 2.560 7.868 ( 1.323 3.094 -1.564) 3.711 8.236 ( 2.281 -2.400 6.419) 7.222 8.410 ( -2.064 1.202 9.722) 10.012 9.163 ( -9.011 -3.422 -0.004) 9.639 9.332 ( -2.293 0.470 -15.642) 15.816 9.381 ( 8.223 3.681 1.468) 9.128 9.644 ( -1.750 -3.449 -6.592) 7.643 9.927 ( -7.456 -0.257 -4.387) 8.655 10.069 ( 2.496 1.909 6.898) 7.580 10.389 ( -1.611 -2.665 8.499) 9.052 10.454 ( -1.384 -0.845 -0.233) 1.638 10.908 ( 3.111 -1.245 2.783) 4.356 11.038 ( 0.821 4.678 8.097) 9.387 11.537 ( 2.199 -2.004 -4.779) 5.630 11.624 ( -0.897 2.064 -0.260) 2.265 11.836 ( 5.812 -0.704 -3.209) 6.677 12.027 ( -3.038 4.750 3.724) 6.757 12.237 ( -0.154 -0.508 -0.034) 0.532 12.326 ( -1.518 -1.115 -1.017) 2.140 12.412 ( -0.262 0.074 -2.803) 2.817 12.641 ( -0.756 -1.700 3.908) 4.329 12.766 ( 1.526 -0.201 -6.125) 6.315 13.123 ( 6.009 2.249 5.003) 8.137 14.727 ( 7.335 1.496 -7.455) 10.565 15.168 ( -3.424 -2.615 14.273) 14.909 15.760 ( 0.858 -5.713 -11.299) 12.690 15.862 ( -6.368 -0.830 -12.790) 14.312 16.217 ( 11.796 0.705 2.274) 12.034 16.423 ( -10.555 3.419 3.032) 11.502 17.007 ( 2.121 -7.912 1.241) 8.285 17.277 ( -4.146 2.602 -1.783) 5.210 17.361 ( -6.384 2.990 4.961) 8.620 17.432 ( -6.116 8.818 15.842) 19.135 18.695 ( -11.246 -7.342 -17.074) 21.723 19.429 ( 7.315 2.829 6.954) 10.482 ======================= 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 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.07e-04 4.07e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( -34.527 -5.538 -9.297) 36.183 1.674 ( -35.868 -6.848 -5.715) 36.961 2.690 ( -51.897 -10.268 -18.532) 56.055 3.735 ( 10.625 9.165 12.048) 18.494 3.748 ( 9.901 7.957 11.432) 17.089 4.144 ( 8.165 -8.713 -9.991) 15.569 4.309 ( -7.195 -2.771 -12.294) 14.512 4.631 ( -2.993 -0.372 -1.805) 3.515 4.668 ( -5.891 9.336 6.481) 12.801 4.747 ( -10.725 -2.304 2.248) 11.198 4.876 ( -7.328 -4.248 -2.097) 8.726 5.040 ( 0.046 0.549 -1.689) 1.777 5.198 ( -1.943 -9.065 -2.314) 9.556 5.412 ( 2.733 -0.529 4.532) 5.319 5.599 ( 1.516 3.976 2.563) 4.967 5.735 ( 9.294 3.931 4.516) 11.056 6.026 ( 6.503 -0.113 1.789) 6.745 6.269 ( -1.734 -1.316 0.706) 2.288 6.290 ( 2.143 -4.883 3.746) 6.517 6.409 ( 8.292 6.411 -4.649) 11.466 6.465 ( 8.867 3.517 8.222) 12.593 6.592 ( -0.262 -3.071 -2.171) 3.770 6.700 ( -4.274 1.308 -0.653) 4.518 6.915 ( 5.957 3.371 4.548) 8.218 7.060 ( 6.926 2.499 4.652) 8.709 7.169 ( 2.566 3.458 7.487) 8.637 7.436 ( 1.743 -2.119 -5.720) 6.344 7.490 ( 0.933 -1.549 -3.666) 4.087 7.598 ( 4.209 -2.928 -9.111) 10.455 7.635 ( 1.449 -1.451 -5.022) 5.424 7.815 ( 2.739 -0.784 -0.209) 2.857 7.898 ( -0.055 2.228 0.299) 2.248 8.318 ( 2.643 -0.494 3.779) 4.638 8.471 ( -2.436 0.497 5.088) 5.663 9.023 ( -7.914 -1.872 -0.514) 8.149 9.154 ( -2.081 0.451 -9.961) 10.186 9.529 ( 5.927 1.847 -0.055) 6.208 9.541 ( -0.505 -1.125 -3.274) 3.498 9.743 ( -9.171 -1.344 -4.587) 10.342 10.219 ( 5.842 2.774 5.422) 8.440 10.377 ( 1.882 -2.455 -3.840) 4.931 10.462 ( -2.401 -0.679 5.793) 6.308 10.981 ( 3.246 -1.589 3.163) 4.803 11.161 ( -3.438 5.628 7.089) 9.682 11.486 ( 3.339 -3.483 -4.898) 6.875 11.599 ( -2.784 0.559 -0.336) 2.860 11.918 ( 7.882 -0.541 -0.747) 7.936 12.077 ( -0.878 6.717 2.095) 7.091 12.203 ( -2.973 -1.506 -1.826) 3.800 12.268 ( 0.490 -4.271 -0.744) 4.363 12.421 ( -0.557 2.452 1.497) 2.926 12.622 ( -4.192 -2.149 1.758) 5.028 12.740 ( 1.950 -0.047 -2.851) 3.455 13.278 ( 6.859 1.498 3.310) 7.762 14.795 ( 10.711 1.525 -4.430) 11.691 15.284 ( -2.223 0.544 13.851) 14.039 15.612 ( -2.355 -2.530 -7.287) 8.065 15.624 ( -4.822 -3.548 -11.272) 12.764 16.193 ( -15.239 -0.293 -1.115) 15.282 16.484 ( 11.540 2.939 2.073) 12.088 16.938 ( -4.978 -3.816 -0.616) 6.302 17.246 ( 2.181 -6.803 4.814) 8.615 17.376 ( -0.209 6.330 -4.135) 7.564 17.596 ( -9.329 9.316 18.365) 22.607 18.257 ( -13.924 -7.956 -18.491) 24.477 19.588 ( 5.199 1.244 3.264) 6.263 ======================= 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 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.07e-04 4.07e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( -37.819 0.000 0.000) 37.819 1.095 ( -38.765 0.000 0.000) 38.765 1.726 ( -60.911 0.000 0.000) 60.911 3.927 ( 1.679 -0.000 -0.000) 1.679 4.017 ( 7.353 -0.000 -0.000) 7.353 4.083 ( -8.026 0.000 0.000) 8.026 4.130 ( 6.107 -0.000 -0.000) 6.107 4.597 ( 1.334 -0.000 -0.000) 1.334 4.672 ( -3.914 0.000 0.000) 3.914 4.677 ( 0.005 -0.000 -0.000) 0.005 4.810 ( -1.448 0.000 0.000) 1.448 5.030 ( -1.090 0.000 0.000) 1.090 5.085 ( -5.315 0.000 0.000) 5.315 5.460 ( 2.217 -0.000 -0.000) 2.217 5.614 ( -4.579 0.000 0.000) 4.579 5.854 ( 1.557 -0.000 -0.000) 1.557 6.003 ( -5.861 0.000 0.000) 5.861 6.254 ( -1.057 0.000 0.000) 1.057 6.346 ( 3.618 -0.000 -0.000) 3.618 6.508 ( 3.820 -0.000 -0.000) 3.820 6.547 ( 1.102 -0.000 -0.000) 1.102 6.691 ( 13.770 -0.000 -0.000) 13.770 6.753 ( 8.643 -0.000 -0.000) 8.643 7.021 ( 3.816 -0.000 -0.000) 3.816 7.188 ( 4.039 -0.000 -0.000) 4.039 7.294 ( 4.127 -0.000 -0.000) 4.127 7.370 ( -1.879 0.000 0.000) 1.879 7.421 ( -2.410 0.000 0.000) 2.410 7.612 ( 4.482 -0.000 -0.000) 4.482 7.631 ( 2.116 -0.000 -0.000) 2.116 7.859 ( 3.670 -0.000 -0.000) 3.670 7.904 ( -0.085 0.000 0.000) 0.085 8.374 ( 2.231 -0.000 -0.000) 2.231 8.464 ( -2.913 0.000 0.000) 2.913 8.905 ( -7.415 0.000 0.000) 7.415 9.076 ( -0.778 0.000 0.000) 0.778 9.487 ( -1.782 0.000 0.000) 1.782 9.582 ( -7.751 0.000 0.000) 7.751 9.623 ( 4.002 -0.000 -0.000) 4.002 10.374 ( 7.002 -0.000 -0.000) 7.002 10.385 ( 6.156 -0.000 -0.000) 6.156 10.464 ( -1.779 0.000 0.000) 1.779 11.028 ( 1.759 -0.000 -0.000) 1.759 11.152 ( -6.241 0.000 0.000) 6.241 11.502 ( 4.245 -0.000 -0.000) 4.245 11.568 ( -1.427 0.000 0.000) 1.427 11.991 ( 3.263 -0.000 -0.000) 3.263 12.129 ( 0.534 -0.000 -0.000) 0.534 12.146 ( -0.548 0.000 0.000) 0.548 12.260 ( 1.918 -0.000 -0.000) 1.918 12.427 ( -2.280 0.000 0.000) 2.280 12.547 ( -6.066 0.000 0.000) 6.066 12.749 ( 1.469 -0.000 -0.000) 1.469 13.392 ( 5.603 -0.000 -0.000) 5.603 14.947 ( 14.031 -0.000 -0.000) 14.031 15.399 ( -4.959 0.000 0.000) 4.959 15.416 ( -0.576 0.000 0.000) 0.576 15.527 ( -3.860 0.000 0.000) 3.860 15.937 ( -19.079 0.000 0.000) 19.079 16.686 ( 12.210 -0.000 -0.000) 12.210 16.864 ( -0.957 0.000 0.000) 0.957 17.312 ( 5.302 -0.000 -0.000) 5.302 17.358 ( -0.206 0.000 0.000) 0.206 17.694 ( -8.544 0.000 0.000) 8.544 17.826 ( -16.681 0.000 0.000) 16.681 19.669 ( 3.372 -0.000 -0.000) 3.372 ======================= 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 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.07e-04 4.07e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( 0.000 18.227 28.669) 33.972 1.990 ( 0.000 17.003 28.245) 32.968 3.559 ( 0.000 22.902 38.336) 44.656 3.635 ( -0.000 5.495 -2.996) 6.259 3.890 ( -0.000 13.697 8.209) 15.968 4.045 ( -0.000 -3.418 -19.646) 19.941 4.443 ( -0.000 4.223 -9.976) 10.833 4.526 ( 0.000 -3.833 3.780) 5.383 4.542 ( -0.000 2.857 0.851) 2.981 4.826 ( -0.000 9.097 7.805) 11.987 4.835 ( 0.000 -10.553 -5.349) 11.832 4.961 ( -0.000 1.168 -7.961) 8.046 5.023 ( 0.000 -4.960 14.524) 15.348 5.427 ( -0.000 4.654 -8.609) 9.786 5.432 ( -0.000 2.385 -6.370) 6.801 5.538 ( -0.000 6.069 -3.268) 6.893 5.944 ( -0.000 1.953 2.690) 3.324 6.199 ( 0.000 -10.673 -0.990) 10.719 6.315 ( -0.000 -0.914 -2.709) 2.859 6.368 ( 0.000 -10.680 -1.336) 10.763 6.395 ( 0.000 -5.578 -3.119) 6.391 6.525 ( -0.000 1.621 -3.280) 3.659 6.843 ( 0.000 -4.267 0.175) 4.271 6.849 ( -0.000 2.700 -0.906) 2.848 7.000 ( -0.000 -4.696 -6.897) 8.344 7.207 ( 0.000 -4.215 3.843) 5.704 7.300 ( -0.000 0.760 -5.825) 5.874 7.481 ( 0.000 -3.572 1.047) 3.722 7.610 ( -0.000 -1.999 -7.564) 7.824 7.854 ( -0.000 -1.635 -2.660) 3.122 8.004 ( -0.000 -1.315 -4.896) 5.069 8.010 ( 0.000 -5.285 8.349) 9.881 8.154 ( -0.000 -3.617 -8.187) 8.950 8.180 ( 0.000 1.340 9.102) 9.200 9.028 ( -0.000 3.466 3.169) 4.697 9.659 ( 0.000 -6.691 4.983) 8.343 9.776 ( 0.000 -5.205 11.535) 12.655 9.783 ( -0.000 1.783 -7.154) 7.373 9.923 ( 0.000 1.617 15.184) 15.270 10.034 ( -0.000 3.921 -1.627) 4.245 10.189 ( 0.000 -3.591 2.328) 4.280 10.415 ( -0.000 -1.154 -3.204) 3.406 10.685 ( -0.000 -1.437 -3.843) 4.103 11.172 ( -0.000 8.898 -3.919) 9.722 11.396 ( -0.000 -3.926 -6.966) 7.997 11.521 ( -0.000 2.946 -3.462) 4.545 12.005 ( -0.000 -0.697 -2.804) 2.889 12.155 ( 0.000 -1.900 1.061) 2.177 12.188 ( 0.000 0.843 2.545) 2.681 12.319 ( -0.000 2.533 -5.795) 6.324 12.322 ( -0.000 1.911 1.836) 2.650 12.459 ( -0.000 3.556 3.965) 5.326 12.860 ( 0.000 0.155 3.148) 3.151 13.049 ( -0.000 -4.197 -12.913) 13.578 14.822 ( -0.000 -4.877 -10.060) 11.180 15.298 ( 0.000 -14.790 11.685) 18.849 15.554 ( -0.000 11.270 -0.745) 11.294 15.753 ( 0.000 -0.475 0.950) 1.062 16.322 ( -0.000 14.825 -3.322) 15.193 16.461 ( 0.000 -10.476 -0.013) 10.476 16.924 ( 0.000 -0.229 0.339) 0.409 16.976 ( 0.000 6.112 11.918) 13.394 17.303 ( -0.000 13.421 -3.071) 13.768 17.932 ( 0.000 -6.746 9.510) 11.660 18.644 ( 0.000 8.770 16.785) 18.938 19.401 ( -0.000 -4.154 -10.817) 11.587 ======================= 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 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.07e-04 4.07e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.417 ( 3.231 17.078 24.198) 29.793 2.535 ( 10.049 14.768 26.835) 32.237 3.468 ( -21.770 4.548 -3.749) 22.554 3.607 ( -18.908 -3.444 -12.079) 22.699 3.999 ( 10.903 6.581 -0.493) 12.745 4.354 ( -0.212 15.959 23.706) 28.578 4.447 ( 9.755 5.226 -9.154) 14.362 4.556 ( 4.856 5.656 -0.690) 7.486 4.667 ( 3.810 -7.617 -6.693) 10.831 4.698 ( 8.335 2.639 6.134) 10.680 4.882 ( 5.161 -0.644 -6.798) 8.559 4.986 ( -0.347 3.642 10.322) 10.951 5.169 ( 2.926 -5.264 10.760) 12.331 5.313 ( -3.623 0.896 -9.911) 10.590 5.375 ( 0.847 0.920 -4.795) 4.956 5.526 ( -8.615 7.606 2.741) 11.814 6.006 ( -9.052 -6.087 2.512) 11.194 6.072 ( -3.297 -1.410 -4.246) 5.558 6.192 ( 2.248 -4.278 -0.070) 4.833 6.260 ( -1.291 -6.156 -1.266) 6.417 6.438 ( 6.674 -2.884 0.687) 7.302 6.522 ( 1.814 -0.863 -0.154) 2.014 6.687 ( -6.739 -7.057 -6.177) 11.549 6.904 ( 0.166 7.219 2.887) 7.776 6.941 ( -1.045 3.475 -1.702) 4.008 7.152 ( -7.019 -5.157 4.388) 9.753 7.297 ( 6.766 -1.720 -6.177) 9.322 7.417 ( -1.236 -5.126 -4.753) 7.099 7.596 ( 7.159 -0.499 -2.681) 7.660 7.798 ( -0.146 -0.554 -4.250) 4.289 7.884 ( 0.690 -2.763 -10.428) 10.810 7.988 ( -1.596 -6.975 -11.434) 13.489 8.080 ( 2.284 -5.700 7.846) 9.963 8.340 ( -0.915 1.108 15.080) 15.148 9.097 ( 2.200 3.163 2.075) 4.376 9.584 ( -6.238 -6.611 -0.496) 9.103 9.617 ( -1.278 -1.024 -15.576) 15.662 9.776 ( -0.140 -7.455 -1.720) 7.652 10.019 ( -6.041 2.476 11.119) 12.894 10.193 ( -0.367 3.019 8.517) 9.043 10.276 ( 2.009 1.855 12.532) 12.827 10.365 ( 1.078 -1.472 -1.774) 2.545 10.712 ( 4.266 1.121 2.564) 5.102 11.115 ( -6.666 0.692 -3.400) 7.515 11.339 ( 6.678 -0.149 -7.933) 10.371 11.522 ( 2.764 3.950 -5.123) 7.035 11.951 ( -3.435 0.391 -1.896) 3.943 12.141 ( -4.619 0.697 4.437) 6.443 12.234 ( 1.269 1.673 -0.940) 2.300 12.288 ( 1.701 1.073 -2.148) 2.943 12.361 ( 3.737 1.320 -2.318) 4.591 12.549 ( 0.925 0.964 6.395) 6.533 12.864 ( -0.399 -3.379 -13.140) 13.573 12.909 ( 1.470 1.262 2.901) 3.488 14.683 ( 0.410 -2.871 -8.784) 9.250 15.283 ( -5.317 -10.970 12.135) 17.201 15.676 ( 6.881 8.492 -2.739) 11.268 15.750 ( 5.363 -3.678 -4.638) 7.988 16.263 ( -6.892 4.015 -7.725) 11.104 16.480 ( 4.990 -3.391 4.546) 7.554 16.919 ( -0.924 1.733 -0.491) 2.024 17.249 ( 0.777 10.562 19.120) 21.857 17.366 ( -2.943 11.637 0.228) 12.006 17.894 ( -10.161 -6.708 6.959) 14.024 18.930 ( 7.032 6.480 12.905) 16.062 19.210 ( -2.824 -5.386 -13.180) 14.516 ======================= 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 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.07e-04 4.07e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.869 ( 7.496 14.953 16.948) 23.812 3.035 ( -8.617 5.643 7.791) 12.915 3.109 ( -10.566 5.212 6.921) 13.664 3.142 ( -24.516 -0.923 -5.343) 25.108 4.081 ( 1.199 1.000 -6.810) 6.987 4.331 ( -7.186 -7.431 -4.417) 11.242 4.624 ( 7.175 2.314 -6.388) 9.881 4.699 ( 1.037 6.317 -0.574) 6.427 4.709 ( 8.387 5.848 -2.336) 10.488 4.771 ( 16.511 1.036 -5.001) 17.283 4.980 ( -7.736 -1.695 -2.137) 8.202 5.062 ( 3.853 -1.950 9.876) 10.779 5.205 ( -2.949 -7.577 5.130) 9.613 5.295 ( 0.873 4.012 1.368) 4.328 5.358 ( -0.387 1.682 -0.364) 1.764 5.582 ( -0.213 7.151 8.303) 10.960 5.845 ( -10.716 -4.479 -1.549) 11.717 5.873 ( -6.842 2.604 6.404) 9.726 6.199 ( 0.526 -4.239 -0.525) 4.304 6.294 ( 6.236 -2.178 -1.086) 6.694 6.427 ( -3.026 -3.745 -5.442) 7.267 6.561 ( 6.334 3.394 3.444) 7.968 6.671 ( 5.622 -0.628 7.027) 9.021 6.901 ( -4.202 5.815 -5.142) 8.827 7.012 ( -3.468 5.559 3.718) 7.533 7.082 ( -4.339 -3.193 8.238) 9.843 7.270 ( 3.405 -2.449 -7.619) 8.697 7.346 ( 6.014 -5.101 -4.931) 9.301 7.644 ( 3.724 -2.975 -3.131) 5.702 7.716 ( 0.075 -4.446 -14.034) 14.722 7.788 ( 2.713 -0.887 -3.758) 4.719 7.810 ( 1.967 -4.110 -5.769) 7.352 8.155 ( 2.948 -4.487 6.029) 8.074 8.482 ( -2.437 1.389 11.823) 12.151 9.190 ( 5.004 3.175 0.937) 5.999 9.378 ( -3.601 -1.963 -12.972) 13.604 9.459 ( -7.908 -3.380 -0.760) 8.633 9.665 ( -0.206 -6.228 -5.998) 8.649 10.075 ( -4.816 3.308 6.322) 8.609 10.152 ( -6.027 -0.821 -0.676) 6.120 10.421 ( -0.003 -0.491 6.870) 6.888 10.470 ( 0.791 0.798 9.949) 10.013 10.823 ( 3.865 2.684 1.527) 4.947 11.014 ( -1.781 -2.584 2.672) 4.122 11.392 ( 9.036 1.883 -3.813) 9.987 11.528 ( 4.142 2.588 -6.844) 8.408 11.872 ( -5.334 -0.244 -1.762) 5.623 12.143 ( -4.988 2.977 4.700) 7.472 12.234 ( 0.210 0.356 -0.576) 0.709 12.321 ( 3.198 1.307 -1.185) 3.653 12.379 ( 1.441 -0.576 -2.652) 3.073 12.629 ( 0.876 -0.300 4.265) 4.364 12.712 ( 1.930 -1.779 -10.140) 10.474 12.990 ( 3.424 1.985 2.923) 4.920 14.600 ( 2.286 -0.945 -6.375) 6.838 15.278 ( -4.317 -6.301 11.565) 13.860 15.669 ( 4.616 -5.586 -8.863) 11.448 15.866 ( 10.247 6.902 -1.768) 12.480 16.079 ( -8.472 -0.465 -7.689) 11.451 16.597 ( 2.708 -0.436 7.545) 8.028 16.893 ( -0.177 -0.219 -3.863) 3.873 17.412 ( -4.503 10.301 1.509) 11.343 17.550 ( -2.430 10.684 20.105) 22.897 17.730 ( -14.877 -6.237 4.526) 16.755 18.940 ( -6.265 -6.605 -15.184) 17.703 19.201 ( 8.479 3.899 8.314) 12.498 ======================= 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 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.07e-04 4.07e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.575 ( -32.043 -1.262 -4.767) 32.420 2.607 ( -32.173 -2.349 -5.376) 32.704 3.332 ( 11.610 14.388 12.480) 22.306 3.519 ( 9.398 5.201 17.488) 20.524 3.908 ( -22.088 -2.720 -6.912) 23.303 4.009 ( -8.181 -9.257 -10.922) 16.490 4.488 ( -4.613 -3.343 -9.705) 11.253 4.676 ( 0.420 0.972 -4.968) 5.080 4.829 ( -1.018 13.253 2.691) 13.562 4.959 ( 3.834 -2.441 2.213) 5.055 5.018 ( 4.630 -3.547 0.928) 5.906 5.076 ( -0.572 -2.914 0.176) 2.975 5.189 ( 1.793 -4.603 -1.580) 5.187 5.311 ( 1.933 3.847 1.401) 4.527 5.384 ( -0.537 -1.491 2.435) 2.905 5.507 ( -2.102 -0.663 0.677) 2.305 5.849 ( 5.017 1.901 3.645) 6.486 6.130 ( 9.002 7.298 10.214) 15.447 6.202 ( 3.867 -1.361 1.500) 4.366 6.283 ( 0.078 -1.071 -3.809) 3.958 6.327 ( -0.015 -3.596 -2.067) 4.148 6.746 ( 5.107 5.111 3.775) 8.152 6.784 ( -8.622 3.040 0.456) 9.154 6.844 ( 7.073 -1.751 4.865) 8.762 6.959 ( -8.393 -0.382 1.931) 8.620 7.149 ( -0.778 3.091 3.310) 4.595 7.276 ( 8.155 0.444 -2.016) 8.412 7.359 ( 6.545 -2.976 -2.912) 7.757 7.517 ( 1.435 -4.592 -11.627) 12.583 7.587 ( 2.155 -4.668 -6.462) 8.258 7.778 ( 1.994 -0.855 -2.058) 2.990 7.844 ( 4.416 0.818 0.334) 4.504 8.225 ( 3.540 -2.256 3.259) 5.314 8.553 ( -3.508 1.113 6.291) 7.288 9.174 ( -2.918 -0.109 -8.821) 9.292 9.318 ( -8.704 -0.660 -0.456) 8.741 9.327 ( 6.241 0.578 1.850) 6.535 9.564 ( -0.025 -3.129 -4.308) 5.325 9.985 ( -7.560 0.051 -3.702) 8.418 10.167 ( -2.349 2.095 7.655) 8.277 10.403 ( -3.232 -2.638 -3.272) 5.302 10.537 ( -2.844 -0.477 6.081) 6.731 10.885 ( 3.094 0.605 1.128) 3.349 11.127 ( 5.556 1.955 8.648) 10.463 11.432 ( 1.154 -1.580 -5.519) 5.856 11.593 ( 10.248 3.653 -1.575) 10.993 11.767 ( -4.982 -1.843 -2.014) 5.681 12.155 ( -3.809 4.526 3.170) 6.711 12.241 ( 0.130 -0.979 1.368) 1.687 12.312 ( -3.274 -2.423 -3.732) 5.525 12.369 ( 3.917 1.305 -1.073) 4.266 12.644 ( 3.305 -0.219 -2.880) 4.390 12.690 ( 0.772 -0.914 0.572) 1.326 13.095 ( 5.613 1.415 2.074) 6.149 14.588 ( 4.603 0.016 -3.535) 5.804 15.333 ( -1.465 -1.815 11.028) 11.272 15.583 ( 2.849 -5.092 -7.286) 9.334 15.844 ( -10.096 2.780 -9.717) 14.286 16.063 ( 12.660 -0.116 1.243) 12.721 16.637 ( -10.308 3.274 3.110) 11.254 16.878 ( 7.640 -4.431 -1.497) 8.957 17.423 ( -8.094 9.821 -0.756) 12.749 17.512 ( -12.696 -7.843 3.833) 15.408 17.794 ( -4.990 9.457 17.025) 20.105 18.597 ( -10.226 -6.927 -15.152) 19.548 19.405 ( 7.814 1.704 3.893) 8.895 ======================= 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 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.07e-04 4.07e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( -36.134 0.000 0.000) 36.134 2.104 ( -34.346 0.000 0.000) 34.346 3.273 ( -49.484 0.000 0.000) 49.484 3.672 ( 13.890 -0.000 -0.000) 13.890 3.816 ( 11.996 -0.000 -0.000) 11.996 3.872 ( 2.563 -0.000 -0.000) 2.563 4.322 ( -7.613 0.000 0.000) 7.613 4.652 ( -1.536 0.000 0.000) 1.536 4.882 ( -8.644 0.000 0.000) 8.644 4.913 ( -7.216 0.000 0.000) 7.216 4.917 ( -9.117 0.000 0.000) 9.117 5.044 ( -2.425 0.000 0.000) 2.425 5.128 ( 1.372 -0.000 -0.000) 1.372 5.400 ( 2.486 -0.000 -0.000) 2.486 5.498 ( 15.070 -0.000 -0.000) 15.070 5.637 ( 11.629 -0.000 -0.000) 11.629 5.974 ( 5.030 -0.000 -0.000) 5.030 6.237 ( 4.257 -0.000 -0.000) 4.257 6.252 ( 6.912 -0.000 -0.000) 6.912 6.295 ( -1.165 0.000 0.000) 1.165 6.403 ( 10.034 -0.000 -0.000) 10.034 6.646 ( -8.612 0.000 0.000) 8.612 6.822 ( -11.196 0.000 0.000) 11.196 6.877 ( 5.773 -0.000 -0.000) 5.773 6.998 ( 8.493 -0.000 -0.000) 8.493 7.191 ( 2.440 -0.000 -0.000) 2.440 7.392 ( 5.741 -0.000 -0.000) 5.741 7.402 ( 1.450 -0.000 -0.000) 1.450 7.443 ( 5.493 -0.000 -0.000) 5.493 7.563 ( 3.161 -0.000 -0.000) 3.161 7.783 ( 1.129 -0.000 -0.000) 1.129 7.899 ( 2.052 -0.000 -0.000) 2.052 8.287 ( 3.871 -0.000 -0.000) 3.871 8.545 ( -3.306 0.000 0.000) 3.306 9.078 ( -3.494 0.000 0.000) 3.494 9.189 ( -8.485 0.000 0.000) 8.485 9.443 ( 7.532 -0.000 -0.000) 7.532 9.524 ( -0.568 0.000 0.000) 0.568 9.844 ( -9.377 0.000 0.000) 9.377 10.233 ( 1.777 -0.000 -0.000) 1.777 10.311 ( -1.347 0.000 0.000) 1.347 10.530 ( -2.876 0.000 0.000) 2.876 10.945 ( 3.765 -0.000 -0.000) 3.765 11.322 ( -5.159 0.000 0.000) 5.159 11.323 ( 8.364 -0.000 -0.000) 8.364 11.658 ( -5.386 0.000 0.000) 5.386 11.775 ( 11.462 -0.000 -0.000) 11.462 12.181 ( -1.830 0.000 0.000) 1.830 12.194 ( -4.533 0.000 0.000) 4.533 12.244 ( -0.047 0.000 0.000) 0.047 12.422 ( 2.853 -0.000 -0.000) 2.853 12.674 ( -2.627 0.000 0.000) 2.627 12.681 ( 3.656 -0.000 -0.000) 3.656 13.203 ( 7.144 -0.000 -0.000) 7.144 14.650 ( 7.488 -0.000 -0.000) 7.488 15.420 ( 0.393 -0.000 -0.000) 0.393 15.526 ( 1.164 -0.000 -0.000) 1.164 15.642 ( -10.050 0.000 0.000) 10.050 16.244 ( 10.649 -0.000 -0.000) 10.649 16.484 ( -12.215 0.000 0.000) 12.215 16.951 ( 3.543 -0.000 -0.000) 3.543 17.278 ( -10.143 0.000 0.000) 10.143 17.425 ( -3.902 0.000 0.000) 3.902 17.893 ( -5.729 0.000 0.000) 5.729 18.271 ( -14.623 0.000 0.000) 14.623 19.532 ( 6.552 -0.000 -0.000) 6.552 ======================= 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 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.07e-04 4.07e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.801 ( 0.000 11.251 22.256) 24.938 2.861 ( 0.000 15.787 24.890) 29.474 3.584 ( -0.000 -1.775 -14.096) 14.207 3.752 ( -0.000 7.644 1.474) 7.784 3.900 ( -0.000 5.488 0.391) 5.502 4.257 ( -0.000 2.998 -12.434) 12.790 4.409 ( 0.000 -9.937 -4.373) 10.857 4.523 ( -0.000 0.492 -4.158) 4.187 4.536 ( -0.000 2.339 -10.405) 10.664 4.758 ( -0.000 2.882 -2.229) 3.644 4.969 ( -0.000 10.969 14.788) 18.412 5.109 ( 0.000 -1.201 7.667) 7.761 5.238 ( 0.000 -5.134 10.484) 11.674 5.283 ( -0.000 -2.432 -4.380) 5.010 5.295 ( -0.000 5.748 5.313) 7.827 5.759 ( -0.000 10.029 6.055) 11.715 6.041 ( -0.000 2.277 -1.667) 2.822 6.099 ( 0.000 -5.292 -3.269) 6.220 6.138 ( 0.000 -1.810 6.862) 7.097 6.188 ( 0.000 -6.828 -0.008) 6.828 6.363 ( 0.000 -2.142 0.102) 2.145 6.548 ( 0.000 2.724 5.861) 6.463 6.588 ( 0.000 -10.225 -7.345) 12.589 6.929 ( -0.000 1.024 -5.066) 5.168 7.014 ( -0.000 9.594 4.432) 10.568 7.137 ( -0.000 -0.453 -8.949) 8.960 7.205 ( 0.000 -5.092 4.473) 6.778 7.431 ( 0.000 -4.356 0.714) 4.414 7.460 ( -0.000 1.191 -3.588) 3.781 7.695 ( -0.000 -1.325 -12.019) 12.092 7.766 ( 0.000 -4.739 -3.050) 5.636 7.785 ( 0.000 -10.495 -13.766) 17.310 8.108 ( 0.000 -4.126 6.476) 7.679 8.518 ( 0.000 1.154 13.250) 13.300 9.118 ( -0.000 3.286 0.266) 3.296 9.419 ( -0.000 -1.848 -15.256) 15.367 9.590 ( 0.000 -5.928 -0.077) 5.928 9.678 ( 0.000 -7.117 -4.159) 8.243 10.204 ( -0.000 1.675 -4.291) 4.606 10.253 ( 0.000 1.710 11.052) 11.184 10.349 ( 0.000 2.177 7.321) 7.638 10.472 ( 0.000 0.482 14.709) 14.717 10.744 ( 0.000 2.260 5.199) 5.669 11.146 ( -0.000 -3.714 -8.764) 9.518 11.162 ( -0.000 1.979 -3.019) 3.610 11.458 ( -0.000 3.131 -7.139) 7.795 11.976 ( -0.000 0.631 0.195) 0.660 12.218 ( -0.000 1.086 -2.340) 2.580 12.246 ( 0.000 0.618 1.968) 2.063 12.258 ( -0.000 3.258 1.460) 3.570 12.331 ( -0.000 1.347 -0.292) 1.378 12.608 ( 0.000 -1.124 4.957) 5.083 12.690 ( -0.000 -2.521 -13.151) 13.390 12.941 ( -0.000 1.927 2.381) 3.063 14.574 ( -0.000 -2.250 -6.110) 6.511 15.362 ( 0.000 -9.644 10.149) 14.000 15.580 ( -0.000 -1.927 -7.789) 8.024 15.709 ( -0.000 5.889 -0.245) 5.894 16.289 ( -0.000 6.007 -8.479) 10.392 16.425 ( 0.000 -5.549 5.053) 7.505 16.942 ( -0.000 1.716 -0.012) 1.717 17.480 ( -0.000 9.761 1.269) 9.844 17.578 ( 0.000 11.693 21.458) 24.437 17.974 ( 0.000 -6.707 4.139) 7.881 19.027 ( -0.000 -6.235 -14.371) 15.665 19.055 ( 0.000 4.945 9.340) 10.568 ======================= 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 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.07e-04 4.07e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.089 ( 0.740 7.695 12.098) 14.357 3.274 ( 1.703 10.159 17.627) 20.416 3.327 ( -14.258 1.143 -2.658) 14.549 3.514 ( -27.934 3.004 0.930) 28.110 3.927 ( 1.759 -4.952 -13.291) 14.292 4.296 ( 4.098 0.683 -1.714) 4.494 4.422 ( 15.470 0.268 -1.091) 15.511 4.457 ( 12.093 -3.254 -8.048) 14.886 4.538 ( 8.157 1.900 -6.308) 10.485 4.802 ( -2.717 7.661 1.368) 8.243 5.008 ( -3.096 -0.208 -1.978) 3.679 5.091 ( 0.056 -7.532 0.686) 7.563 5.218 ( -1.847 -6.076 1.589) 6.546 5.292 ( 1.948 2.702 1.404) 3.614 5.566 ( -4.440 7.126 15.022) 17.209 5.765 ( -9.537 3.755 2.017) 10.446 5.926 ( -8.099 -2.782 -2.018) 8.798 6.108 ( -10.959 3.479 7.469) 13.711 6.150 ( 4.222 -2.451 -0.438) 4.902 6.187 ( 3.812 0.676 0.256) 3.880 6.386 ( -4.343 -5.261 -4.574) 8.213 6.493 ( 12.176 2.464 3.907) 13.023 6.707 ( 3.236 2.031 8.643) 9.450 6.869 ( 2.792 0.371 -5.592) 6.261 7.059 ( 6.203 -2.042 -8.861) 11.007 7.172 ( 0.407 8.362 3.822) 9.203 7.218 ( -4.028 -2.134 7.388) 8.681 7.281 ( -7.803 -0.542 -1.197) 7.913 7.504 ( 2.291 -5.338 -7.508) 9.493 7.522 ( 0.281 -8.683 -11.255) 14.218 7.630 ( 7.988 -1.713 -4.719) 9.434 7.730 ( 2.394 -1.633 -1.467) 3.248 8.151 ( 1.510 -2.247 3.568) 4.478 8.637 ( -1.968 1.045 7.884) 8.193 9.161 ( 2.538 4.188 -1.177) 5.037 9.258 ( -0.626 -3.387 -7.700) 8.435 9.521 ( -2.515 -2.979 -1.346) 4.124 9.577 ( -2.699 -4.118 -2.465) 5.506 10.130 ( -2.738 -0.039 -4.057) 4.895 10.309 ( -6.246 1.709 7.740) 10.091 10.477 ( -0.290 1.032 3.952) 4.095 10.599 ( -1.324 0.284 8.246) 8.357 10.826 ( 1.738 1.747 2.500) 3.510 11.010 ( -0.276 -2.442 -2.271) 3.346 11.238 ( 10.253 0.896 -1.142) 10.355 11.417 ( 2.127 1.536 -6.375) 6.893 11.946 ( -5.445 0.349 0.317) 5.465 12.215 ( 1.891 0.807 -1.745) 2.697 12.249 ( 0.319 0.269 -0.403) 0.580 12.291 ( -2.680 1.391 3.666) 4.749 12.371 ( 0.454 1.075 1.445) 1.858 12.549 ( 2.040 -1.196 -9.919) 10.197 12.651 ( 1.592 -0.974 2.501) 3.121 12.991 ( 1.920 1.449 1.484) 2.827 14.516 ( 1.087 -0.892 -3.126) 3.428 15.380 ( -1.773 -4.124 6.399) 7.817 15.505 ( 2.157 -3.222 -5.056) 6.372 15.788 ( 5.750 3.942 -0.422) 6.984 16.150 ( -10.570 1.308 -4.318) 11.493 16.533 ( 10.262 -1.393 2.367) 10.623 16.924 ( -4.286 0.956 -0.507) 4.421 17.544 ( -2.312 6.349 1.217) 6.865 17.874 ( -2.188 7.083 16.123) 17.746 17.895 ( -8.572 -2.821 2.610) 9.394 18.793 ( -3.720 -5.999 -13.052) 14.839 19.204 ( 5.271 2.376 4.643) 7.416 ======================= 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 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.07e-04 4.07e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.929 ( -24.923 0.000 0.000) 24.923 3.036 ( -32.546 0.000 0.000) 32.546 3.368 ( 6.004 -0.000 -0.000) 6.004 3.564 ( 4.769 -0.000 -0.000) 4.769 3.798 ( 2.644 -0.000 -0.000) 2.644 4.230 ( -11.150 0.000 0.000) 11.150 4.471 ( -3.797 0.000 0.000) 3.797 4.593 ( 6.338 -0.000 -0.000) 6.338 4.740 ( 20.360 -0.000 -0.000) 20.360 4.827 ( 7.347 -0.000 -0.000) 7.347 5.025 ( -0.496 0.000 0.000) 0.496 5.051 ( 3.214 -0.000 -0.000) 3.214 5.150 ( -4.310 0.000 0.000) 4.310 5.351 ( 2.824 -0.000 -0.000) 2.824 5.531 ( -16.869 0.000 0.000) 16.869 5.586 ( -11.440 0.000 0.000) 11.440 5.828 ( -0.465 0.000 0.000) 0.465 6.159 ( 0.991 -0.000 -0.000) 0.991 6.165 ( 3.722 -0.000 -0.000) 3.722 6.262 ( 4.300 -0.000 -0.000) 4.300 6.283 ( -3.091 0.000 0.000) 3.091 6.722 ( 11.936 -0.000 -0.000) 11.936 6.753 ( 1.532 -0.000 -0.000) 1.532 6.925 ( -4.301 0.000 0.000) 4.301 7.028 ( 1.227 -0.000 -0.000) 1.227 7.136 ( -0.851 0.000 0.000) 0.851 7.256 ( -0.377 0.000 0.000) 0.377 7.274 ( 0.522 -0.000 -0.000) 0.522 7.405 ( 1.655 -0.000 -0.000) 1.655 7.453 ( 4.525 -0.000 -0.000) 4.525 7.713 ( 5.687 -0.000 -0.000) 5.687 7.774 ( 5.403 -0.000 -0.000) 5.403 8.191 ( 2.667 -0.000 -0.000) 2.667 8.647 ( -3.591 0.000 0.000) 3.591 9.157 ( -2.293 0.000 0.000) 2.293 9.252 ( 5.715 -0.000 -0.000) 5.715 9.436 ( -7.972 0.000 0.000) 7.972 9.520 ( 0.188 -0.000 -0.000) 0.188 10.051 ( -5.211 0.000 0.000) 5.211 10.292 ( -5.199 0.000 0.000) 5.199 10.427 ( -5.829 0.000 0.000) 5.829 10.614 ( -2.945 0.000 0.000) 2.945 10.860 ( 1.627 -0.000 -0.000) 1.627 11.077 ( 8.536 -0.000 -0.000) 8.536 11.392 ( 0.074 -0.000 -0.000) 0.074 11.415 ( 13.693 -0.000 -0.000) 13.693 11.852 ( -7.792 0.000 0.000) 7.792 12.228 ( -0.451 0.000 0.000) 0.451 12.247 ( -0.120 0.000 0.000) 0.120 12.318 ( 2.571 -0.000 -0.000) 2.571 12.334 ( -5.043 0.000 0.000) 5.043 12.549 ( 5.595 -0.000 -0.000) 5.595 12.685 ( 1.445 -0.000 -0.000) 1.445 13.046 ( 3.911 -0.000 -0.000) 3.911 14.520 ( 2.541 -0.000 -0.000) 2.541 15.405 ( 0.298 -0.000 -0.000) 0.298 15.474 ( 1.559 -0.000 -0.000) 1.559 15.911 ( 10.032 -0.000 -0.000) 10.032 15.965 ( -12.367 0.000 0.000) 12.367 16.698 ( 11.495 -0.000 -0.000) 11.495 16.826 ( -9.420 0.000 0.000) 9.420 17.537 ( -3.634 0.000 0.000) 3.634 17.707 ( -15.508 0.000 0.000) 15.508 18.004 ( -2.381 0.000 0.000) 2.381 18.590 ( -8.164 0.000 0.000) 8.164 19.329 ( 7.447 -0.000 -0.000) 7.447 ======================= 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 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.07e-04 4.07e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.183 ( 0.000 -0.000 -0.000) 0.000 3.416 ( 0.000 -0.000 -0.000) 0.000 3.512 ( 0.000 -0.000 -0.000) 0.000 3.694 ( -0.000 0.000 0.000) 0.000 3.874 ( 0.000 -0.000 -0.000) 0.000 4.123 ( 0.000 -0.000 -0.000) 0.000 4.296 ( -0.000 0.000 0.000) 0.000 4.339 ( 0.000 -0.000 -0.000) 0.000 4.438 ( 0.000 -0.000 -0.000) 0.000 4.903 ( -0.000 0.000 0.000) 0.000 5.010 ( 0.000 -0.000 -0.000) 0.000 5.020 ( 0.000 -0.000 -0.000) 0.000 5.218 ( 0.000 -0.000 -0.000) 0.000 5.303 ( 0.000 -0.000 -0.000) 0.000 5.742 ( 0.000 -0.000 -0.000) 0.000 5.881 ( -0.000 0.000 0.000) 0.000 5.957 ( -0.000 0.000 0.000) 0.000 6.075 ( 0.000 -0.000 -0.000) 0.000 6.186 ( -0.000 0.000 0.000) 0.000 6.339 ( -0.000 0.000 0.000) 0.000 6.341 ( 0.000 -0.000 -0.000) 0.000 6.391 ( 0.000 -0.000 -0.000) 0.000 6.784 ( 0.000 -0.000 -0.000) 0.000 6.811 ( -0.000 0.000 0.000) 0.000 6.866 ( 0.000 -0.000 -0.000) 0.000 7.296 ( -0.000 0.000 0.000) 0.000 7.339 ( -0.000 0.000 0.000) 0.000 7.339 ( -0.000 0.000 0.000) 0.000 7.344 ( 0.000 -0.000 -0.000) 0.000 7.446 ( 0.000 -0.000 -0.000) 0.000 7.463 ( -0.000 0.000 0.000) 0.000 7.697 ( 0.000 -0.000 -0.000) 0.000 8.153 ( 0.000 -0.000 -0.000) 0.000 8.705 ( 0.000 -0.000 -0.000) 0.000 9.165 ( -0.000 0.000 0.000) 0.000 9.190 ( -0.000 0.000 0.000) 0.000 9.494 ( 0.000 -0.000 -0.000) 0.000 9.586 ( 0.000 -0.000 -0.000) 0.000 10.122 ( 0.000 -0.000 -0.000) 0.000 10.405 ( 0.000 -0.000 -0.000) 0.000 10.531 ( 0.000 -0.000 -0.000) 0.000 10.659 ( 0.000 -0.000 -0.000) 0.000 10.835 ( -0.000 0.000 0.000) 0.000 10.980 ( -0.000 0.000 0.000) 0.000 11.146 ( 0.000 -0.000 -0.000) 0.000 11.372 ( 0.000 -0.000 -0.000) 0.000 11.996 ( -0.000 0.000 0.000) 0.000 12.181 ( 0.000 -0.000 -0.000) 0.000 12.249 ( 0.000 -0.000 -0.000) 0.000 12.347 ( -0.000 0.000 0.000) 0.000 12.422 ( -0.000 0.000 0.000) 0.000 12.427 ( 0.000 -0.000 -0.000) 0.000 12.646 ( 0.000 -0.000 -0.000) 0.000 12.993 ( -0.000 0.000 0.000) 0.000 14.487 ( 0.000 -0.000 -0.000) 0.000 15.407 ( 0.000 -0.000 -0.000) 0.000 15.453 ( 0.000 -0.000 -0.000) 0.000 15.761 ( 0.000 -0.000 -0.000) 0.000 16.233 ( 0.000 -0.000 -0.000) 0.000 16.440 ( -0.000 0.000 0.000) 0.000 16.959 ( 0.000 -0.000 -0.000) 0.000 17.593 ( 0.000 -0.000 -0.000) 0.000 17.951 ( 0.000 -0.000 -0.000) 0.000 18.034 ( 0.000 -0.000 -0.000) 0.000 18.704 ( 0.000 -0.000 -0.000) 0.000 19.203 ( 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 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.07e-04 4.07e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( 0.000 -0.000 38.196) 38.196 1.291 ( 0.000 -0.000 38.196) 38.196 2.325 ( 0.000 -0.000 65.066) 65.066 3.672 ( 0.000 -0.000 -5.861) 5.861 3.672 ( 0.000 0.000 -5.861) 5.861 4.387 ( -0.000 0.000 -20.281) 20.281 4.465 ( -0.000 0.000 -9.133) 9.133 4.478 ( 0.000 -0.000 11.070) 11.070 4.478 ( 0.000 0.000 11.070) 11.070 4.820 ( -0.000 0.000 -5.887) 5.887 4.830 ( 0.000 -0.000 3.850) 3.850 4.830 ( 0.000 0.000 3.850) 3.850 5.069 ( 0.000 -0.000 3.549) 3.549 5.411 ( -0.000 0.000 -6.873) 6.873 5.411 ( -0.000 0.000 -6.873) 6.873 5.699 ( 0.000 0.000 -4.532) 4.532 5.699 ( 0.000 0.000 -4.532) 4.532 6.283 ( 0.000 -0.000 3.164) 3.164 6.476 ( 0.000 -0.000 3.053) 3.053 6.530 ( 0.000 0.000 -2.097) 2.097 6.530 ( 0.000 0.000 -2.097) 2.097 6.598 ( -0.000 0.000 -8.686) 8.686 6.912 ( -0.000 0.000 -6.193) 6.193 6.912 ( -0.000 0.000 -6.193) 6.193 7.228 ( 0.000 -0.000 5.768) 5.768 7.299 ( 0.000 -0.000 -6.902) 6.902 7.299 ( -0.000 0.000 -6.902) 6.902 7.485 ( 0.000 -0.000 4.116) 4.116 7.770 ( 0.000 -0.000 0.873) 0.873 7.770 ( 0.000 0.000 0.873) 0.873 8.024 ( 0.000 -0.000 8.031) 8.031 8.024 ( 0.000 -0.000 8.031) 8.031 8.205 ( -0.000 -0.000 -9.135) 9.135 8.205 ( -0.000 0.000 -9.135) 9.135 8.913 ( 0.000 -0.000 6.389) 6.389 9.565 ( 0.000 -0.000 22.812) 22.812 9.675 ( 0.000 -0.000 10.874) 10.874 9.675 ( 0.000 -0.000 10.874) 10.874 9.818 ( 0.000 -0.000 8.396) 8.396 10.134 ( -0.000 0.000 -16.287) 16.287 10.422 ( 0.000 -0.000 -4.810) 4.810 10.422 ( -0.000 0.000 -4.810) 4.810 10.896 ( -0.000 -0.000 -5.429) 5.429 10.896 ( -0.000 0.000 -5.429) 5.429 11.525 ( -0.000 0.000 -4.227) 4.227 11.525 ( -0.000 0.000 -4.227) 4.227 12.127 ( 0.000 0.000 -0.762) 0.762 12.127 ( 0.000 0.000 -0.762) 0.762 12.251 ( 0.000 -0.000 10.091) 10.091 12.267 ( -0.000 0.000 -5.511) 5.511 12.289 ( -0.000 -0.000 -3.208) 3.208 12.289 ( -0.000 0.000 -3.208) 3.208 12.831 ( 0.000 -0.000 2.625) 2.625 13.268 ( -0.000 0.000 -11.639) 11.639 15.181 ( 0.000 -0.000 -6.751) 6.751 15.181 ( 0.000 0.000 -6.751) 6.751 15.674 ( 0.000 -0.000 9.184) 9.184 15.709 ( 0.000 -0.000 10.389) 10.389 15.709 ( 0.000 0.000 10.389) 10.389 16.835 ( -0.000 0.000 -0.205) 0.205 16.925 ( -0.000 0.000 -8.959) 8.959 16.925 ( -0.000 0.000 -8.959) 8.959 16.989 ( 0.000 -0.000 1.684) 1.684 18.093 ( 0.000 -0.000 17.475) 17.475 18.093 ( 0.000 0.000 17.475) 17.475 19.575 ( -0.000 0.000 -8.112) 8.112 ======================= 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 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.07e-04 4.07e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( 4.435 2.560 34.995) 35.368 1.837 ( 10.607 6.124 36.011) 38.037 3.190 ( 15.285 8.825 55.479) 58.218 3.520 ( -6.701 -3.869 -4.955) 9.188 3.739 ( 4.748 2.741 -1.893) 5.800 4.088 ( -4.742 -2.738 -20.024) 20.759 4.401 ( 5.829 3.365 -10.136) 12.167 4.506 ( -1.656 -0.956 -0.906) 2.116 4.671 ( 6.213 3.587 7.856) 10.639 4.729 ( 1.260 0.728 0.404) 1.510 4.802 ( -5.055 -2.918 5.898) 8.298 5.059 ( 10.336 5.967 4.598) 12.790 5.106 ( -0.774 -0.447 2.213) 2.387 5.350 ( 4.268 2.464 -6.775) 8.378 5.363 ( 3.134 1.810 -14.199) 14.653 5.410 ( -13.472 -7.778 -1.029) 15.590 5.916 ( 13.405 7.739 -0.202) 15.480 6.312 ( -0.113 -0.065 0.795) 0.806 6.373 ( -10.573 -6.105 -4.751) 13.101 6.380 ( -10.353 -5.977 0.153) 11.955 6.555 ( 1.787 1.032 -1.410) 2.499 6.581 ( 1.623 0.937 1.830) 2.620 6.813 ( -1.808 -1.044 -3.268) 3.878 6.855 ( -0.506 -0.292 -5.837) 5.866 7.049 ( -10.857 -6.269 -8.994) 15.430 7.230 ( -4.492 -2.594 2.804) 5.897 7.350 ( 5.762 3.327 -3.183) 7.376 7.539 ( 0.928 0.536 2.314) 2.550 7.690 ( -0.287 -0.165 -7.574) 7.582 7.794 ( 2.566 1.482 -5.832) 6.542 8.054 ( -2.247 -1.297 -9.379) 9.731 8.104 ( -0.109 -0.063 7.561) 7.562 8.142 ( -0.411 -0.238 13.271) 13.279 8.165 ( 0.600 0.346 -5.451) 5.494 8.995 ( 1.174 0.678 5.668) 5.828 9.743 ( -5.168 -2.984 11.138) 12.636 9.780 ( -1.118 -0.646 10.247) 10.328 9.802 ( -1.206 -0.697 -0.429) 1.458 9.926 ( -2.756 -1.591 19.707) 19.963 9.997 ( 5.331 3.078 -6.713) 9.109 10.256 ( -6.294 -3.634 -5.064) 8.858 10.418 ( 1.784 1.030 -4.999) 5.407 10.771 ( -1.253 -0.723 -4.040) 4.291 10.966 ( 5.239 3.024 -1.901) 6.341 11.461 ( 0.244 0.141 -7.465) 7.470 11.479 ( 2.088 1.205 -5.929) 6.400 12.015 ( -5.026 -2.902 -2.638) 6.375 12.155 ( -3.072 -1.774 0.509) 3.584 12.204 ( 2.387 1.378 -3.330) 4.323 12.269 ( 1.123 0.648 -0.691) 1.469 12.324 ( 6.005 3.467 -4.872) 8.474 12.384 ( 1.622 0.936 9.847) 10.024 12.860 ( 0.359 0.207 2.271) 2.309 13.102 ( -1.896 -1.095 -13.946) 14.117 14.933 ( -6.999 -4.041 -8.975) 12.078 15.323 ( 11.315 6.533 -3.937) 13.646 15.532 ( -11.957 -6.903 8.405) 16.164 15.867 ( 4.863 2.807 3.737) 6.745 15.981 ( 8.727 5.038 3.912) 10.809 16.694 ( -8.678 -5.010 4.036) 10.803 16.883 ( 1.373 0.792 -0.409) 1.637 16.973 ( 2.345 1.354 0.549) 2.762 17.048 ( 4.778 2.759 1.616) 5.749 18.047 ( -13.534 -7.814 14.081) 21.036 18.507 ( 12.660 7.309 16.079) 21.731 19.451 ( -2.180 -1.259 -10.570) 10.866 ======================= 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 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.07e-04 4.07e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( 10.243 5.914 28.690) 31.033 2.446 ( 12.979 7.493 32.508) 35.796 3.240 ( -14.747 -8.514 -6.779) 18.329 3.508 ( -18.865 -10.892 -11.687) 24.721 4.029 ( 9.235 5.332 -4.745) 11.672 4.037 ( 13.092 7.559 38.298) 41.173 4.455 ( 10.411 6.011 -7.880) 14.374 4.515 ( 7.753 4.476 -2.840) 9.392 4.789 ( 5.486 3.168 -5.171) 8.178 4.821 ( -2.695 -1.556 10.101) 10.570 4.895 ( 12.235 7.064 3.356) 14.521 5.054 ( -12.847 -7.417 -7.396) 16.576 5.100 ( -0.166 -0.096 3.579) 3.584 5.277 ( 4.834 2.791 -2.389) 6.071 5.331 ( 1.163 0.671 -0.085) 1.345 5.406 ( 5.813 3.356 -2.202) 7.065 6.052 ( -9.282 -5.359 0.279) 10.722 6.056 ( -14.308 -8.261 -8.029) 18.369 6.234 ( 5.381 3.107 0.265) 6.219 6.306 ( -2.448 -1.413 1.408) 3.158 6.591 ( -3.026 -1.747 1.776) 3.919 6.608 ( 1.283 0.741 2.286) 2.724 6.699 ( -8.147 -4.704 -6.020) 11.169 6.808 ( 2.148 1.240 1.650) 2.979 6.819 ( -1.624 -0.938 -7.182) 7.422 7.164 ( -6.748 -3.896 4.621) 9.059 7.398 ( 3.385 1.954 -4.122) 5.680 7.511 ( 0.429 0.248 -8.123) 8.139 7.679 ( 3.727 2.152 -0.485) 4.331 7.750 ( 2.455 1.417 -9.231) 9.656 7.930 ( -0.939 -0.542 -6.853) 6.938 8.045 ( -2.488 -1.437 -11.056) 11.423 8.206 ( -0.721 -0.417 9.243) 9.280 8.285 ( -0.418 -0.241 12.583) 12.593 9.086 ( 2.967 1.713 4.109) 5.350 9.619 ( -3.662 -2.114 -15.173) 15.751 9.639 ( -11.835 -6.833 3.373) 14.076 9.881 ( -0.369 -0.213 9.363) 9.373 9.986 ( -5.040 -2.910 -6.752) 8.914 10.101 ( -3.439 -1.985 15.792) 16.283 10.268 ( 5.631 3.251 9.589) 11.586 10.394 ( 0.543 0.313 -0.969) 1.154 10.759 ( 2.114 1.220 -0.443) 2.481 11.023 ( 0.519 0.300 1.867) 1.961 11.393 ( 3.771 2.177 -8.947) 9.951 11.480 ( 4.982 2.877 -5.550) 7.994 11.911 ( -2.978 -1.720 -2.959) 4.537 12.090 ( -4.074 -2.352 1.422) 4.914 12.219 ( 1.243 0.718 -1.098) 1.807 12.294 ( 1.771 1.022 -0.108) 2.047 12.383 ( 5.950 3.435 -5.196) 8.615 12.524 ( 2.050 1.184 8.588) 8.908 12.902 ( 1.960 1.131 1.860) 2.929 12.903 ( -1.942 -1.121 -14.065) 14.243 14.741 ( -3.016 -1.741 -8.267) 8.971 15.372 ( -8.729 -5.040 8.493) 13.180 15.563 ( 12.895 7.445 -5.361) 15.826 15.934 ( 4.399 2.540 -7.596) 9.138 16.071 ( 1.748 1.009 -3.503) 4.043 16.641 ( -7.279 -4.202 10.842) 13.718 16.981 ( 3.148 1.818 8.805) 9.526 17.014 ( 2.212 1.277 0.309) 2.573 17.177 ( 2.494 1.440 9.108) 9.552 17.916 ( -15.849 -9.151 10.760) 21.230 18.896 ( 11.672 6.739 12.675) 18.502 19.254 ( -4.876 -2.815 -13.101) 14.259 ======================= 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 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.07e-04 4.07e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.740 ( 13.506 7.797 20.788) 25.988 2.828 ( -20.365 -11.758 -6.511) 24.400 2.977 ( -23.885 -13.790 -9.607) 29.205 3.025 ( 11.623 6.711 28.253) 31.279 4.081 ( -1.750 -1.011 -1.963) 2.818 4.392 ( 0.660 0.381 7.500) 7.538 4.606 ( 6.668 3.850 -2.047) 7.967 4.608 ( -10.504 -6.064 -11.288) 16.568 4.693 ( 3.823 2.207 -5.223) 6.838 4.859 ( 4.857 2.804 -1.271) 5.751 4.924 ( 8.129 4.693 -2.404) 9.689 5.139 ( 3.369 1.945 14.245) 14.766 5.179 ( -0.098 -0.057 -6.613) 6.614 5.326 ( 9.555 5.517 3.977) 11.729 5.376 ( -4.188 -2.418 -2.189) 5.309 5.517 ( 4.584 2.647 8.683) 10.170 5.780 ( -5.365 -3.097 -1.662) 6.414 5.814 ( -8.751 -5.052 3.770) 10.785 6.276 ( -2.084 -1.203 1.872) 3.049 6.394 ( 4.323 2.496 0.824) 5.059 6.454 ( -4.602 -2.657 -7.225) 8.969 6.561 ( 0.201 0.116 3.462) 3.470 6.724 ( -0.195 -0.112 -4.881) 4.886 6.764 ( 4.041 2.333 4.835) 6.720 6.885 ( 1.531 0.884 3.251) 3.701 7.098 ( -7.366 -4.253 7.181) 11.131 7.393 ( 3.591 2.073 -6.251) 7.501 7.438 ( 3.070 1.772 -9.580) 10.214 7.692 ( 3.172 1.831 -9.896) 10.552 7.743 ( 1.383 0.798 -0.457) 1.661 7.844 ( -3.009 -1.737 -11.126) 11.656 7.863 ( -0.511 -0.295 -3.409) 3.459 8.279 ( -0.612 -0.353 5.628) 5.672 8.400 ( -0.408 -0.235 8.899) 8.911 9.196 ( 5.622 3.246 0.390) 6.504 9.392 ( -3.899 -2.251 -10.873) 11.768 9.445 ( -12.168 -7.025 2.415) 14.256 9.802 ( -5.925 -3.421 -6.169) 9.212 9.960 ( -0.222 -0.128 3.766) 3.775 10.110 ( -4.636 -2.677 3.133) 6.202 10.446 ( 2.238 1.292 4.657) 5.326 10.453 ( -0.972 -0.561 9.778) 9.842 10.813 ( 3.625 2.093 0.069) 4.187 11.037 ( -1.706 -0.985 5.499) 5.842 11.436 ( 8.124 4.690 -3.492) 10.010 11.519 ( 4.978 2.874 -4.731) 7.445 11.831 ( -1.603 -0.925 -3.864) 4.284 12.044 ( -3.446 -1.989 2.528) 4.714 12.234 ( 0.678 0.391 1.192) 1.426 12.320 ( 1.249 0.721 -0.727) 1.615 12.403 ( 2.418 1.396 -5.291) 5.983 12.639 ( 1.361 0.786 5.728) 5.940 12.743 ( 0.577 0.333 -10.887) 10.907 12.982 ( 4.561 2.633 1.851) 5.582 14.640 ( 0.844 0.487 -6.205) 6.281 15.324 ( -6.392 -3.690 8.798) 11.484 15.708 ( 9.622 5.555 -10.119) 15.028 15.866 ( 1.807 1.044 -13.781) 13.938 16.054 ( 2.278 1.315 -0.507) 2.679 16.617 ( -8.553 -4.938 8.752) 13.196 17.064 ( 4.102 2.368 -2.033) 5.154 17.135 ( 1.005 0.580 9.054) 9.128 17.352 ( -0.515 -0.297 18.809) 18.818 17.722 ( -16.255 -9.385 8.251) 20.503 18.974 ( -8.040 -4.642 -15.569) 18.127 19.211 ( 9.595 5.540 8.497) 13.963 ======================= 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 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.07e-04 4.07e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( -25.898 -14.952 -6.195) 30.540 2.409 ( -27.755 -16.025 -5.457) 32.510 3.231 ( 15.885 9.171 15.475) 23.999 3.523 ( 8.563 4.944 25.100) 26.977 3.739 ( -33.356 -19.258 -5.836) 38.956 4.301 ( -4.406 -2.544 -8.402) 9.823 4.448 ( 1.002 0.578 1.323) 1.758 4.505 ( -5.795 -3.346 -7.829) 10.299 4.636 ( 0.460 0.265 -5.765) 5.790 4.988 ( 1.112 0.642 1.437) 1.927 4.999 ( 2.145 1.239 -6.046) 6.533 5.144 ( -9.014 -5.204 -5.426) 11.738 5.335 ( -0.927 -0.535 0.018) 1.070 5.358 ( 14.206 8.202 1.188) 16.446 5.386 ( 2.897 1.673 11.541) 12.016 5.511 ( -0.440 -0.254 -0.593) 0.781 5.807 ( 5.964 3.443 1.865) 7.135 6.117 ( 14.925 8.617 15.816) 23.392 6.262 ( -0.789 -0.456 -3.180) 3.308 6.358 ( 1.048 0.605 -1.442) 1.882 6.375 ( -3.298 -1.904 0.473) 3.837 6.634 ( -1.499 -0.865 -7.000) 7.211 6.712 ( 7.559 4.364 4.942) 10.030 6.870 ( -7.812 -4.510 3.283) 9.599 6.923 ( 4.431 2.559 6.958) 8.637 7.093 ( -0.423 -0.244 6.673) 6.691 7.402 ( 3.825 2.209 -9.259) 10.258 7.417 ( 5.360 3.095 -4.630) 7.730 7.605 ( -1.783 -1.029 -10.492) 10.692 7.638 ( 2.190 1.264 -8.952) 9.302 7.828 ( -0.181 -0.104 -1.125) 1.145 7.834 ( 1.596 0.921 0.951) 2.074 8.316 ( 0.165 0.095 2.166) 2.174 8.470 ( -0.191 -0.110 4.362) 4.367 9.174 ( -0.787 -0.454 -9.255) 9.300 9.259 ( -10.670 -6.160 1.779) 12.448 9.372 ( 4.546 2.625 3.833) 6.500 9.647 ( -4.745 -2.739 -3.505) 6.504 9.897 ( -5.135 -2.965 -3.900) 7.097 10.128 ( 0.223 0.129 6.830) 6.835 10.430 ( -2.322 -1.341 -4.577) 5.305 10.520 ( -2.197 -1.268 6.204) 6.702 10.887 ( 4.629 2.672 -0.724) 5.394 11.130 ( 0.771 0.445 11.254) 11.289 11.539 ( 2.730 1.576 -4.550) 5.535 11.540 ( 2.131 1.230 0.221) 2.470 11.799 ( 4.765 2.751 -3.316) 6.424 12.018 ( -2.418 -1.396 2.542) 3.776 12.258 ( -1.049 -0.606 1.078) 1.621 12.315 ( 0.125 0.072 -2.478) 2.482 12.378 ( 1.356 0.783 -1.727) 2.331 12.688 ( 2.822 1.629 -5.238) 6.169 12.690 ( -0.694 -0.401 1.768) 1.941 13.108 ( 6.784 3.917 1.674) 8.011 14.631 ( 4.265 2.462 -3.686) 6.151 15.344 ( -2.196 -1.268 8.744) 9.105 15.665 ( -1.049 -0.606 -7.932) 8.024 15.707 ( -0.607 -0.350 -15.618) 15.634 16.190 ( 10.584 6.111 1.047) 12.267 16.510 ( -12.191 -7.038 6.252) 15.403 17.109 ( 5.231 3.020 -5.538) 8.195 17.164 ( -6.802 -3.927 3.444) 8.576 17.555 ( -10.557 -6.095 8.295) 14.744 17.569 ( -2.581 -1.490 24.018) 24.202 18.610 ( -11.269 -6.506 -17.542) 21.842 19.437 ( 7.267 4.196 4.274) 9.418 ======================= 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 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.07e-04 4.07e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( -29.514 -17.040 -1.114) 34.098 1.845 ( -30.833 -17.802 0.502) 35.607 2.915 ( -47.982 -27.703 1.002) 55.414 3.659 ( 15.279 8.821 8.720) 19.680 3.893 ( 3.280 1.894 18.028) 18.421 4.183 ( -0.717 -0.414 -4.293) 4.372 4.255 ( -8.733 -5.042 -7.561) 12.604 4.522 ( 4.300 2.483 -0.589) 5.001 4.632 ( 1.926 1.112 -0.246) 2.238 4.877 ( -12.126 -7.001 3.638) 14.467 4.899 ( -5.896 -3.404 -6.225) 9.226 4.980 ( -0.133 -0.077 -4.418) 4.421 5.247 ( -4.231 -2.443 -4.165) 6.420 5.527 ( 2.051 1.184 5.300) 5.805 5.528 ( 2.979 1.720 -1.106) 3.613 5.684 ( 11.669 6.737 3.140) 13.835 5.990 ( 7.996 4.616 -1.776) 9.402 6.238 ( 8.387 4.842 -6.349) 11.580 6.327 ( -2.896 -1.672 1.488) 3.660 6.383 ( -2.977 -1.719 2.516) 4.260 6.476 ( 10.043 5.799 5.536) 12.851 6.556 ( 3.572 2.062 -3.970) 5.724 6.716 ( -8.708 -5.028 0.216) 10.058 6.898 ( 6.346 3.664 2.691) 7.806 7.066 ( 4.940 2.852 3.032) 6.460 7.223 ( 3.882 2.242 9.081) 10.128 7.345 ( 1.527 0.882 -8.989) 9.161 7.449 ( 1.880 1.086 -3.586) 4.192 7.545 ( 3.256 1.880 -3.447) 5.101 7.581 ( 1.394 0.805 -4.205) 4.503 7.836 ( 1.402 0.809 -0.104) 1.622 7.863 ( 0.715 0.413 0.895) 1.218 8.343 ( 1.717 0.991 -0.527) 2.051 8.486 ( -0.456 -0.263 -0.682) 0.861 9.093 ( -9.148 -5.281 0.908) 10.602 9.100 ( -1.609 -0.929 0.948) 2.086 9.503 ( 5.537 3.197 1.544) 6.578 9.557 ( -3.261 -1.883 0.899) 3.872 9.749 ( -7.229 -4.174 -1.129) 8.424 10.234 ( 3.727 2.152 5.123) 6.691 10.335 ( 0.188 0.109 -6.373) 6.377 10.509 ( -2.217 -1.280 -0.715) 2.658 10.951 ( 4.160 2.402 -3.048) 5.689 11.260 ( -2.502 -1.444 11.548) 11.904 11.505 ( -1.221 -0.705 -3.061) 3.370 11.527 ( 1.621 0.936 -3.824) 4.257 11.931 ( 8.646 4.992 0.945) 10.028 12.018 ( -1.265 -0.730 3.565) 3.852 12.209 ( -2.610 -1.507 -1.213) 3.249 12.272 ( -0.418 -0.241 -4.315) 4.342 12.431 ( 1.345 0.776 3.624) 3.943 12.651 ( -3.267 -1.886 -2.126) 4.330 12.706 ( 2.545 1.470 -0.962) 3.093 13.249 ( 7.069 4.081 -0.203) 8.165 14.716 ( 7.721 4.458 -0.407) 8.925 15.431 ( 0.058 0.033 9.034) 9.034 15.508 ( -1.411 -0.814 -15.548) 15.633 15.556 ( -3.847 -2.221 -1.986) 4.866 16.324 ( -15.778 -9.110 6.778) 19.439 16.416 ( 12.557 7.250 0.200) 14.501 17.000 ( -10.128 -5.847 -0.632) 11.712 17.123 ( 5.092 2.940 -9.022) 10.769 17.519 ( -4.754 -2.745 8.130) 9.809 17.782 ( -4.456 -2.573 24.697) 25.227 18.175 ( -13.887 -8.018 -18.102) 24.183 19.576 ( 5.125 2.959 0.432) 5.933 ======================= 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 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.07e-04 4.07e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( -29.574 -17.074 10.866) 35.836 1.299 ( -32.543 -18.789 7.844) 38.388 2.158 ( -47.659 -27.516 27.008) 61.302 3.873 ( 2.276 1.314 -9.618) 9.970 3.962 ( -2.258 -1.303 -3.312) 4.215 4.137 ( 1.659 0.958 9.269) 9.465 4.248 ( -0.429 -0.248 12.829) 12.839 4.583 ( 5.362 3.096 -4.527) 7.670 4.648 ( -1.366 -0.789 -1.047) 1.894 4.719 ( -7.628 -4.404 1.323) 8.907 4.777 ( -0.556 -0.321 -1.370) 1.513 4.971 ( 3.541 2.045 -2.921) 5.025 5.115 ( -5.661 -3.268 -2.356) 6.948 5.501 ( -2.270 -1.310 -1.973) 3.280 5.577 ( -0.435 -0.251 -0.367) 0.622 5.875 ( 4.971 2.870 1.676) 5.979 5.928 ( -4.142 -2.392 -10.281) 11.339 6.291 ( -2.937 -1.695 1.470) 3.696 6.312 ( 3.885 2.243 -4.015) 6.021 6.439 ( 8.450 4.879 -1.510) 9.874 6.573 ( -3.217 -1.857 0.493) 3.747 6.654 ( 6.441 3.719 -5.116) 9.027 6.702 ( 9.828 5.674 4.240) 12.114 6.980 ( 3.148 1.817 -3.738) 5.214 7.170 ( 5.253 3.033 -1.715) 6.303 7.273 ( 0.179 0.103 -5.728) 5.732 7.383 ( 0.767 0.443 3.203) 3.323 7.416 ( 0.760 0.439 2.837) 2.969 7.605 ( 3.249 1.876 2.256) 4.378 7.638 ( 3.452 1.993 4.703) 6.165 7.862 ( 1.295 0.748 0.241) 1.515 7.893 ( 1.863 1.076 0.670) 2.253 8.357 ( 1.646 0.950 -2.998) 3.550 8.432 ( -1.559 -0.900 -5.582) 5.865 8.951 ( -7.228 -4.173 1.162) 8.427 9.145 ( -0.831 -0.480 11.151) 11.192 9.540 ( -2.370 -1.368 5.684) 6.308 9.612 ( 4.383 2.530 1.490) 5.275 9.628 ( -6.848 -3.954 3.438) 8.623 10.319 ( 4.884 2.820 -5.002) 7.538 10.366 ( 5.340 3.083 1.321) 6.306 10.434 ( -1.089 -0.629 -5.536) 5.677 10.954 ( 2.232 1.289 -6.977) 7.437 11.236 ( -8.140 -4.700 2.697) 9.778 11.511 ( 2.471 1.426 1.040) 3.037 11.527 ( 1.916 1.106 -1.827) 2.869 12.051 ( -0.546 -0.315 5.101) 5.140 12.072 ( 4.721 2.726 0.030) 5.452 12.166 ( -1.523 -0.879 0.750) 1.912 12.220 ( 1.319 0.762 -4.488) 4.740 12.459 ( -2.025 -1.169 1.468) 2.761 12.536 ( -4.499 -2.598 -4.704) 7.008 12.751 ( 1.595 0.921 1.791) 2.569 13.344 ( 5.416 3.127 -3.767) 7.301 14.907 ( 11.046 6.377 3.341) 13.185 15.333 ( 0.757 0.437 -12.766) 12.796 15.492 ( -2.983 -1.722 1.164) 3.636 15.514 ( -3.283 -1.896 9.660) 10.378 16.099 ( -17.853 -10.307 8.613) 22.342 16.621 ( 10.601 6.121 -3.633) 12.769 16.871 ( -2.151 -1.242 1.309) 2.807 17.090 ( 4.005 2.313 -11.458) 12.356 17.540 ( -2.709 -1.564 4.493) 5.475 17.725 ( -13.600 -7.852 -11.692) 19.578 17.954 ( -6.454 -3.726 23.133) 24.304 19.639 ( 3.310 1.911 -2.859) 4.773 ======================= 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 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.07e-04 4.07e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( 0.000 5.589 35.086) 35.528 2.195 ( 0.000 4.405 36.547) 36.811 3.554 ( -0.000 0.836 -0.868) 1.205 3.677 ( 0.000 4.812 8.954) 10.165 3.843 ( 0.000 17.601 41.034) 44.649 3.876 ( -0.000 -3.244 -19.741) 20.006 4.254 ( -0.000 4.313 -11.524) 12.304 4.535 ( 0.000 -1.666 0.539) 1.751 4.565 ( -0.000 -3.034 -5.388) 6.184 4.742 ( -0.000 6.839 -2.758) 7.374 4.957 ( 0.000 -9.446 -1.325) 9.538 4.968 ( 0.000 -1.276 9.319) 9.406 5.194 ( 0.000 4.407 7.180) 8.425 5.224 ( -0.000 2.800 -9.038) 9.462 5.259 ( -0.000 7.576 -8.692) 11.530 5.519 ( 0.000 -4.079 5.108) 6.537 5.868 ( -0.000 9.191 1.524) 9.317 6.283 ( -0.000 -0.907 -5.413) 5.489 6.381 ( 0.000 -11.047 0.991) 11.092 6.472 ( 0.000 -2.289 3.309) 4.023 6.509 ( 0.000 -3.656 -1.867) 4.106 6.518 ( 0.000 -7.692 1.252) 7.794 6.792 ( -0.000 2.818 -1.981) 3.445 6.827 ( -0.000 4.658 -3.369) 5.748 6.990 ( 0.000 -7.669 -9.504) 12.213 7.189 ( -0.000 3.034 -8.448) 8.977 7.355 ( 0.000 -4.641 7.299) 8.650 7.546 ( -0.000 -3.271 -10.993) 11.470 7.557 ( 0.000 -2.520 2.945) 3.876 7.713 ( -0.000 5.988 -11.402) 12.879 7.962 ( -0.000 -2.692 -7.867) 8.315 8.044 ( -0.000 1.309 -7.867) 7.975 8.216 ( 0.000 -4.759 7.481) 8.866 8.301 ( 0.000 2.120 12.704) 12.880 9.046 ( 0.000 0.552 3.446) 3.490 9.696 ( -0.000 -5.447 -12.224) 13.383 9.840 ( 0.000 -7.582 5.878) 9.593 9.924 ( 0.000 -1.640 5.386) 5.630 9.983 ( -0.000 6.592 6.859) 9.514 10.132 ( 0.000 -5.523 13.699) 14.770 10.273 ( 0.000 0.660 8.443) 8.469 10.349 ( -0.000 1.999 -5.855) 6.187 10.715 ( 0.000 -4.710 0.074) 4.711 10.984 ( -0.000 10.807 -1.295) 10.884 11.355 ( -0.000 -2.121 -8.799) 9.051 11.401 ( -0.000 3.276 -7.875) 8.529 12.000 ( 0.000 -3.096 -3.535) 4.699 12.166 ( -0.000 3.846 -2.233) 4.447 12.167 ( -0.000 -0.120 -0.761) 0.770 12.252 ( -0.000 0.721 -1.615) 1.769 12.265 ( -0.000 2.680 -1.521) 3.082 12.498 ( 0.000 1.865 9.208) 9.395 12.877 ( 0.000 0.341 1.128) 1.178 12.934 ( -0.000 -1.774 -15.581) 15.682 14.834 ( 0.000 -9.475 -7.742) 12.235 15.262 ( -0.000 16.731 -6.665) 18.009 15.655 ( 0.000 -13.519 6.805) 15.135 15.752 ( -0.000 -1.695 -4.506) 4.815 16.073 ( -0.000 12.061 -0.068) 12.061 16.714 ( 0.000 -13.461 7.669) 15.492 16.950 ( 0.000 -1.315 2.285) 2.636 17.033 ( 0.000 6.358 16.262) 17.461 17.110 ( -0.000 10.370 2.927) 10.775 18.222 ( 0.000 -13.187 11.841) 17.723 18.652 ( -0.000 11.795 13.657) 18.045 19.321 ( -0.000 -2.390 -12.600) 12.825 ======================= 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 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.07e-04 4.07e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( -0.787 5.341 31.363) 31.825 2.726 ( 9.245 5.394 33.530) 35.197 3.392 ( -19.133 0.288 -1.864) 19.225 3.539 ( -13.892 -5.506 -12.458) 19.455 3.905 ( 12.443 6.451 1.510) 14.097 4.242 ( 11.350 6.695 -9.710) 16.369 4.400 ( 2.175 7.355 15.142) 16.973 4.457 ( -1.538 5.008 2.673) 5.882 4.641 ( 5.766 -0.532 -5.439) 7.945 4.789 ( 3.182 -6.555 -7.181) 10.230 4.840 ( 9.390 0.244 7.159) 11.810 5.077 ( -1.519 1.656 8.343) 8.640 5.158 ( 0.365 4.620 -3.741) 5.956 5.246 ( -0.689 8.034 -4.480) 9.225 5.350 ( 3.337 1.050 7.587) 8.354 5.498 ( -9.309 0.384 9.379) 13.220 6.038 ( 7.412 1.721 -0.292) 7.615 6.112 ( -10.953 -5.515 -3.579) 12.775 6.244 ( -6.122 -5.739 -0.917) 8.441 6.353 ( -5.426 -4.486 1.557) 7.210 6.521 ( 5.664 -7.203 -1.075) 9.226 6.584 ( 5.068 -3.521 4.054) 7.383 6.726 ( -9.813 -6.509 -6.678) 13.537 6.810 ( -3.091 6.074 -4.335) 8.077 6.842 ( 0.614 5.813 1.930) 6.156 7.169 ( 5.143 1.639 -6.335) 8.323 7.334 ( 0.127 -5.940 -3.879) 7.096 7.419 ( -3.715 -2.586 -1.035) 4.644 7.610 ( 4.697 0.252 -3.048) 5.605 7.638 ( 2.505 2.830 -7.095) 8.039 7.859 ( 0.121 -1.856 -6.005) 6.286 7.929 ( -1.523 -2.414 -11.600) 11.946 8.249 ( 1.407 -5.904 4.892) 7.795 8.442 ( -1.447 3.588 9.389) 10.155 9.085 ( 2.190 1.525 -0.182) 2.675 9.505 ( -3.086 -5.899 -8.241) 10.594 9.759 ( -7.769 -9.963 3.150) 13.021 9.873 ( -0.844 -8.139 -4.146) 9.173 10.053 ( -4.997 4.927 3.471) 7.829 10.236 ( -2.279 -1.100 3.817) 4.580 10.337 ( 3.543 2.639 7.753) 8.923 10.452 ( 0.641 0.881 12.926) 12.972 10.734 ( 2.485 -0.214 2.340) 3.420 11.060 ( 0.921 4.554 1.408) 4.855 11.245 ( 3.000 -0.552 -9.511) 9.988 11.376 ( 3.821 5.151 -7.019) 9.508 11.918 ( -3.766 0.376 -3.108) 4.898 12.144 ( -2.640 1.674 -0.027) 3.126 12.203 ( 2.035 1.646 0.120) 2.620 12.256 ( 2.509 0.291 -1.566) 2.972 12.298 ( 2.951 3.239 -1.261) 4.559 12.609 ( 0.588 1.275 6.932) 7.072 12.742 ( -0.224 -1.501 -14.759) 14.837 12.899 ( 1.419 1.647 0.008) 2.173 14.672 ( -2.117 -5.717 -5.647) 8.310 15.368 ( 5.952 13.505 -7.721) 16.656 15.552 ( -4.318 -4.732 1.988) 6.707 15.730 ( 6.337 -3.308 -8.963) 11.464 16.114 ( -3.597 4.508 0.366) 5.779 16.727 ( 1.687 -11.545 9.700) 15.173 16.958 ( -0.474 -3.418 3.256) 4.744 17.212 ( -3.373 10.222 7.971) 13.395 17.340 ( 1.638 7.330 20.176) 21.529 18.144 ( -11.559 -11.985 8.749) 18.809 18.940 ( 8.309 8.416 9.902) 15.424 19.125 ( -2.840 -3.687 -14.585) 15.310 ======================= 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 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.07e-04 4.07e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.937 ( 1.150 4.988 21.736) 22.330 3.036 ( -22.634 -2.805 -0.270) 22.809 3.127 ( -21.610 -6.823 -4.719) 23.148 3.269 ( 8.240 4.684 29.363) 30.855 4.045 ( 3.440 -1.460 -1.797) 4.147 4.369 ( 7.043 2.352 -5.456) 9.214 4.524 ( 3.774 2.158 -3.622) 5.659 4.545 ( 8.020 3.605 -4.777) 10.006 4.616 ( -3.527 1.478 -4.235) 5.706 4.702 ( 13.300 -1.096 -3.479) 13.791 4.925 ( -2.474 2.058 -4.277) 5.353 5.173 ( -4.784 5.574 0.936) 7.405 5.264 ( 4.418 0.404 -0.319) 4.448 5.291 ( 0.486 4.126 10.262) 11.071 5.411 ( -7.563 -9.358 3.758) 12.605 5.603 ( 5.973 6.113 13.968) 16.376 5.841 ( -9.018 -1.172 -2.136) 9.341 5.954 ( -10.975 -3.424 2.622) 11.792 6.287 ( 3.533 -3.462 0.630) 4.987 6.322 ( 4.443 -2.972 1.702) 5.610 6.425 ( -6.848 -4.527 -6.361) 10.385 6.551 ( 4.381 0.439 0.064) 4.403 6.726 ( -3.040 5.065 -2.987) 6.619 6.780 ( 4.472 1.230 5.315) 7.054 6.947 ( 0.515 6.520 4.578) 7.984 7.189 ( 4.769 0.071 -3.743) 6.063 7.250 ( -1.207 -4.564 -1.793) 5.050 7.332 ( -1.118 -2.219 -4.071) 4.769 7.563 ( 1.986 3.024 -9.412) 10.083 7.684 ( -0.119 -4.222 -6.714) 7.932 7.738 ( 2.724 -1.990 -5.378) 6.349 7.812 ( 1.920 -1.050 -3.501) 4.129 8.270 ( 2.712 -4.738 0.945) 5.541 8.521 ( -2.835 4.493 3.984) 6.641 9.124 ( 3.378 2.538 -3.253) 5.333 9.365 ( -2.798 -5.625 0.218) 6.286 9.580 ( -11.170 -8.384 2.304) 14.155 9.733 ( -1.300 -8.739 -4.263) 9.810 10.030 ( -4.819 3.448 -1.820) 6.198 10.213 ( -5.317 -1.055 6.714) 8.629 10.469 ( 0.436 -0.128 2.193) 2.240 10.570 ( -1.296 0.136 7.269) 7.384 10.792 ( 2.014 2.576 0.290) 3.282 11.086 ( 1.721 -2.005 3.243) 4.183 11.319 ( 11.460 4.907 -0.029) 12.466 11.406 ( 5.145 3.146 -5.883) 8.425 11.833 ( -4.926 1.715 -3.242) 6.141 12.123 ( -3.659 2.262 1.148) 4.452 12.244 ( 1.159 0.554 1.940) 2.327 12.281 ( 2.977 0.955 -2.007) 3.716 12.340 ( 1.154 1.913 -1.852) 2.902 12.601 ( 2.559 -0.128 -9.517) 9.856 12.685 ( 0.732 0.120 3.021) 3.110 12.954 ( 3.938 3.773 -0.360) 5.465 14.577 ( 0.015 -2.407 -2.821) 3.709 15.379 ( -0.368 2.412 -4.550) 5.163 15.585 ( 5.176 3.904 -3.659) 7.444 15.668 ( 4.584 2.532 -12.152) 13.232 16.085 ( -4.324 -1.650 4.305) 6.321 16.763 ( -2.412 -6.640 8.722) 11.224 16.954 ( 1.960 -5.831 1.136) 6.256 17.318 ( -4.109 5.865 7.794) 10.584 17.643 ( -1.736 6.820 22.690) 23.756 17.945 ( -15.188 -11.106 6.100) 19.779 18.855 ( -6.291 -4.934 -16.159) 18.029 19.204 ( 9.037 5.515 5.425) 11.896 ======================= 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 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.07e-04 4.07e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.591 ( -30.442 -4.330 -0.628) 30.755 2.668 ( -27.822 -9.787 0.908) 29.507 3.330 ( 7.595 6.742 17.394) 20.142 3.723 ( 8.661 0.273 24.508) 25.995 3.956 ( -8.339 -9.196 -3.357) 12.860 4.157 ( -14.943 -17.532 -3.584) 23.313 4.463 ( -4.727 -4.125 -5.685) 8.466 4.563 ( 1.017 7.918 -4.539) 9.183 4.596 ( 0.691 11.833 -3.384) 12.327 4.901 ( 8.244 5.484 -2.359) 10.179 5.001 ( 3.358 5.705 0.733) 6.661 5.149 ( -7.953 -4.486 -1.425) 9.241 5.237 ( 8.472 4.206 -1.156) 9.529 5.282 ( 1.692 -6.500 -2.624) 7.211 5.454 ( 5.216 0.796 7.651) 9.294 5.545 ( -10.374 -6.588 -2.331) 12.508 5.797 ( 1.103 5.621 -1.072) 5.828 6.153 ( 10.261 5.695 11.021) 16.099 6.237 ( -4.265 -2.944 -5.457) 7.526 6.310 ( 3.108 -3.978 2.852) 5.798 6.366 ( 2.707 -3.838 -0.286) 4.705 6.643 ( -5.593 6.900 -4.948) 10.167 6.684 ( 6.554 6.466 0.134) 9.208 6.937 ( 4.242 -1.419 5.998) 7.483 7.009 ( -6.424 0.819 4.519) 7.897 7.179 ( -1.568 -2.419 2.827) 4.038 7.235 ( 6.292 0.908 -2.068) 6.685 7.318 ( 5.209 3.079 -5.097) 7.912 7.465 ( 1.125 -3.824 -8.477) 9.368 7.547 ( 1.194 0.641 -6.548) 6.687 7.785 ( 2.954 -1.432 -0.377) 3.305 7.824 ( 3.426 1.318 -0.546) 3.711 8.269 ( 3.272 -2.564 -2.859) 5.045 8.528 ( -2.797 4.377 -1.943) 5.546 9.138 ( -0.536 -0.331 1.889) 1.991 9.356 ( 0.344 -3.150 2.361) 3.952 9.393 ( -8.532 -4.558 1.967) 9.871 9.627 ( -1.191 -6.937 -0.032) 7.039 9.949 ( -6.661 0.998 -0.743) 6.776 10.228 ( -3.269 0.075 6.606) 7.371 10.390 ( -3.880 -2.488 -6.294) 7.801 10.576 ( -2.564 -0.491 -0.738) 2.713 10.843 ( 3.052 3.455 -1.881) 4.979 11.205 ( 6.506 0.006 6.722) 9.355 11.414 ( 3.159 -1.666 -4.181) 5.498 11.550 ( 9.944 3.687 5.926) 12.148 11.735 ( -3.907 1.674 -4.672) 6.316 12.112 ( -3.905 3.701 2.303) 5.853 12.259 ( 0.398 -0.833 -1.454) 1.722 12.289 ( -2.045 0.071 -2.699) 3.387 12.349 ( 3.676 1.527 1.341) 4.200 12.603 ( 4.836 1.499 -1.775) 5.365 12.699 ( -0.269 -0.325 -1.124) 1.201 13.053 ( 6.262 4.300 -0.849) 7.643 14.571 ( 2.840 -0.198 0.162) 2.852 15.372 ( 2.086 3.296 -2.316) 4.537 15.507 ( 1.581 -0.720 -14.546) 14.650 15.691 ( -1.174 5.922 -0.960) 6.113 16.117 ( 4.378 -1.854 5.018) 6.913 16.724 ( -11.482 -5.035 9.215) 15.560 16.954 ( 5.973 -5.318 -3.196) 8.613 17.336 ( -9.307 2.142 4.246) 10.452 17.716 ( -11.873 -10.212 5.387) 16.561 17.906 ( -3.598 3.241 20.728) 21.287 18.519 ( -10.410 -4.694 -15.357) 19.137 19.392 ( 7.984 3.385 1.036) 8.734 ======================= 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 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.07e-04 4.07e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( -33.049 -4.963 4.966) 33.787 2.218 ( -32.484 -9.961 6.495) 34.592 3.470 ( -42.284 -14.791 10.745) 46.067 3.641 ( 9.583 3.783 6.446) 12.153 3.930 ( 4.632 -15.207 -5.268) 16.747 4.045 ( 8.875 -8.597 13.400) 18.227 4.345 ( -8.334 1.815 6.268) 10.584 4.570 ( -3.141 7.885 -3.310) 9.110 4.697 ( -1.187 14.952 0.362) 15.003 4.879 ( -4.783 3.995 -6.709) 9.156 4.952 ( -4.950 -3.551 -3.457) 7.005 4.997 ( -7.095 -3.410 -2.651) 8.306 5.216 ( -1.966 -5.688 -0.983) 6.098 5.429 ( 5.109 -1.418 -0.697) 5.347 5.471 ( 11.744 1.795 -1.923) 12.035 5.631 ( 10.428 0.516 2.683) 10.780 5.894 ( 6.159 7.164 -3.262) 9.995 6.128 ( 0.374 2.217 -5.310) 5.766 6.313 ( 0.300 -3.951 -1.846) 4.372 6.364 ( 9.820 0.715 -2.917) 10.269 6.414 ( 3.588 -4.465 6.710) 8.822 6.573 ( -4.741 6.823 -2.011) 8.548 6.767 ( -0.258 2.312 -4.824) 5.356 6.915 ( -5.207 -1.388 3.365) 6.353 6.999 ( 5.521 -2.273 -4.120) 7.254 7.211 ( 2.797 -2.076 -0.587) 3.532 7.341 ( 2.679 6.988 4.361) 8.662 7.371 ( 5.533 1.351 -2.937) 6.408 7.470 ( 4.668 -0.162 2.608) 5.349 7.551 ( 2.893 2.777 1.893) 4.434 7.804 ( 1.745 -1.513 0.931) 2.491 7.873 ( 1.712 2.312 -0.447) 2.911 8.266 ( 4.452 -0.254 -5.003) 6.702 8.475 ( -1.858 3.099 -6.786) 7.688 9.161 ( -4.732 -4.341 6.752) 9.318 9.225 ( -7.561 -1.308 4.680) 8.988 9.452 ( 6.014 -0.166 1.270) 6.149 9.595 ( -1.018 -4.599 5.052) 6.907 9.859 ( -8.720 0.166 3.142) 9.270 10.227 ( 1.012 -2.707 -5.631) 6.329 10.301 ( -1.715 2.437 2.835) 4.113 10.489 ( -2.617 -0.145 -7.213) 7.674 10.877 ( 3.096 3.477 -5.081) 6.891 11.335 ( 7.970 -6.129 -4.688) 11.094 11.403 ( -1.389 -0.494 8.315) 8.444 11.600 ( -7.022 4.571 -2.014) 8.617 11.811 ( 11.726 -0.676 3.416) 12.232 12.132 ( -3.042 5.616 3.222) 7.153 12.209 ( -0.806 -1.633 -5.231) 5.539 12.236 ( -2.575 -0.905 1.265) 3.008 12.437 ( 3.436 0.323 1.853) 3.917 12.644 ( -2.458 -0.021 -4.657) 5.266 12.682 ( 3.452 1.702 2.500) 4.590 13.158 ( 7.243 3.248 -3.033) 8.498 14.659 ( 6.371 1.440 3.642) 7.479 15.315 ( 0.519 -0.905 -15.675) 15.709 15.466 ( 3.115 6.780 0.689) 7.493 15.687 ( -6.480 1.416 6.171) 9.060 16.268 ( 11.144 -0.272 1.912) 11.310 16.588 ( -15.444 -6.842 8.747) 19.022 16.947 ( 3.694 -2.809 -5.184) 6.958 17.187 ( -14.346 2.209 -1.312) 14.574 17.602 ( -3.571 -8.513 5.847) 10.927 17.970 ( -4.910 -12.039 -4.200) 13.663 18.264 ( -13.420 6.678 9.732) 17.872 19.502 ( 6.563 1.790 -2.802) 7.358 ======================= 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 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.07e-04 4.07e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( -31.960 -3.545 13.941) 35.048 1.787 ( -33.348 -6.886 13.901) 36.780 3.002 ( -43.179 -10.256 32.460) 54.985 3.703 ( 4.607 -8.050 -9.031) 12.946 3.862 ( 7.140 -11.160 -3.906) 13.813 4.193 ( 5.284 -1.086 7.709) 9.409 4.434 ( -3.542 2.334 15.483) 16.053 4.510 ( -4.936 5.841 -6.307) 9.913 4.691 ( -7.753 1.654 -2.915) 8.446 4.787 ( -5.151 -4.719 -2.191) 7.321 4.851 ( -7.199 2.718 3.382) 8.406 4.911 ( 4.538 8.816 -5.630) 11.402 5.135 ( -3.193 -0.474 -1.989) 3.791 5.435 ( 1.573 -5.664 -1.226) 6.005 5.577 ( 3.228 2.148 -3.909) 5.506 5.727 ( 5.947 -4.850 -7.524) 10.747 5.947 ( 1.231 7.122 -1.302) 7.344 6.178 ( 7.298 3.017 -4.696) 9.187 6.269 ( 2.295 -2.252 -1.109) 3.401 6.392 ( 3.788 1.165 -6.016) 7.204 6.506 ( 4.509 2.960 -2.167) 5.813 6.580 ( 0.869 -4.767 0.067) 4.846 6.710 ( -0.156 2.239 3.603) 4.245 6.903 ( 2.582 -0.972 -3.433) 4.405 7.028 ( 8.274 -0.490 -5.766) 10.097 7.175 ( 1.679 -5.138 -4.546) 7.062 7.409 ( 0.248 3.976 -0.306) 3.995 7.463 ( 2.322 4.487 1.359) 5.232 7.623 ( 3.884 3.929 6.650) 8.646 7.697 ( 4.079 3.905 10.704) 12.103 7.831 ( 2.401 -1.743 1.157) 3.185 7.904 ( 0.150 1.616 1.482) 2.198 8.265 ( 3.914 -0.426 -6.105) 7.265 8.375 ( -1.557 1.651 -9.916) 10.172 9.043 ( -8.001 -2.660 0.986) 8.489 9.323 ( -1.351 -0.606 17.496) 17.559 9.552 ( 7.178 -0.320 1.148) 7.276 9.630 ( -0.986 -3.478 8.820) 9.532 9.793 ( -8.994 0.580 6.555) 11.144 10.187 ( 5.713 -1.059 -5.816) 8.221 10.313 ( -0.616 1.712 -9.463) 9.637 10.402 ( 0.334 2.043 0.410) 2.110 10.858 ( 1.421 3.135 -8.349) 9.031 11.251 ( -0.808 -10.245 -3.463) 10.844 11.503 ( 0.237 1.926 4.766) 5.146 11.545 ( -1.759 4.597 -2.727) 5.627 11.968 ( 7.171 -2.981 2.956) 8.309 12.122 ( 0.442 -2.881 -4.402) 5.279 12.188 ( -1.017 6.109 1.666) 6.413 12.223 ( -3.108 -0.311 4.699) 5.642 12.452 ( -0.565 -3.041 -1.967) 3.665 12.547 ( -4.108 2.305 -4.678) 6.639 12.768 ( 1.604 1.155 4.022) 4.482 13.219 ( 6.430 1.651 -6.672) 9.412 14.850 ( 9.887 2.640 6.400) 12.070 15.149 ( 2.206 -1.267 -13.211) 13.454 15.576 ( -1.368 6.667 4.337) 8.070 15.696 ( -6.270 2.295 8.308) 10.659 16.338 ( -8.771 -9.752 5.518) 14.229 16.482 ( 3.316 0.729 -0.391) 3.417 16.884 ( -1.319 -1.186 -3.166) 3.629 17.049 ( -5.989 6.670 -3.749) 9.716 17.550 ( -5.957 -6.869 -5.606) 10.681 17.671 ( -1.764 -14.291 0.252) 14.402 18.355 ( -11.488 5.924 19.949) 23.771 19.542 ( 5.156 0.611 -5.932) 7.884 ======================= 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 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.07e-04 4.07e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.967 ( 0.000 2.874 26.819) 26.973 3.041 ( 0.000 3.736 32.142) 32.358 3.491 ( -0.000 -2.149 -8.206) 8.483 3.655 ( -0.000 6.843 3.010) 7.476 3.825 ( -0.000 7.298 1.568) 7.465 4.082 ( -0.000 2.744 -9.265) 9.663 4.396 ( -0.000 0.545 -9.503) 9.518 4.417 ( 0.000 -2.442 -3.459) 4.234 4.574 ( 0.000 -10.138 -5.480) 11.525 4.678 ( -0.000 3.032 -2.826) 4.145 4.895 ( -0.000 6.825 0.616) 6.853 5.199 ( 0.000 2.754 6.718) 7.260 5.246 ( -0.000 2.219 -1.919) 2.934 5.284 ( 0.000 9.883 14.756) 17.760 5.435 ( 0.000 -0.037 12.381) 12.381 5.727 ( 0.000 3.180 9.467) 9.987 5.957 ( -0.000 2.581 -3.180) 4.095 6.123 ( -0.000 -2.902 -4.765) 5.579 6.249 ( 0.000 -6.953 1.569) 7.128 6.357 ( 0.000 -11.579 1.321) 11.654 6.389 ( 0.000 -2.113 -1.818) 2.787 6.601 ( 0.000 1.328 8.922) 9.020 6.658 ( 0.000 -8.389 -8.307) 11.807 6.834 ( -0.000 3.471 -4.595) 5.758 6.924 ( -0.000 7.328 2.461) 7.730 7.022 ( -0.000 2.083 -7.757) 8.032 7.240 ( -0.000 -0.021 -5.637) 5.637 7.495 ( 0.000 -4.056 5.701) 6.997 7.522 ( -0.000 -1.337 -3.169) 3.440 7.553 ( -0.000 0.204 -5.116) 5.120 7.764 ( -0.000 -2.190 -6.489) 6.849 7.766 ( -0.000 -6.595 -13.828) 15.321 8.222 ( 0.000 -5.095 0.755) 5.151 8.569 ( -0.000 5.040 4.436) 6.715 9.069 ( -0.000 2.308 -1.575) 2.794 9.417 ( 0.000 -9.066 -0.651) 9.090 9.715 ( 0.000 -10.418 -2.489) 10.712 9.796 ( 0.000 -10.245 0.018) 10.245 10.116 ( -0.000 3.380 -3.973) 5.216 10.351 ( 0.000 0.020 8.775) 8.775 10.394 ( 0.000 2.800 7.773) 8.262 10.592 ( 0.000 1.060 8.583) 8.648 10.765 ( 0.000 1.935 4.479) 4.879 11.085 ( -0.000 4.902 -1.729) 5.198 11.096 ( -0.000 -3.199 -9.353) 9.885 11.324 ( -0.000 5.156 -4.138) 6.611 11.934 ( -0.000 3.146 -2.139) 3.804 12.138 ( -0.000 3.912 -4.449) 5.924 12.234 ( -0.000 0.254 -0.030) 0.256 12.259 ( 0.000 3.205 5.873) 6.690 12.295 ( -0.000 2.609 -0.201) 2.616 12.570 ( -0.000 -1.420 -13.021) 13.098 12.671 ( 0.000 -0.415 3.714) 3.737 12.900 ( -0.000 3.440 -1.054) 3.598 14.588 ( 0.000 -5.733 -2.760) 6.362 15.358 ( -0.000 14.868 -8.614) 17.183 15.531 ( 0.000 -4.944 -4.733) 6.844 15.573 ( -0.000 2.734 -7.789) 8.255 16.199 ( 0.000 0.516 5.007) 5.033 16.704 ( 0.000 -13.763 8.514) 16.184 16.992 ( 0.000 -3.071 5.018) 5.883 17.382 ( -0.000 6.387 7.701) 10.005 17.660 ( 0.000 9.547 22.830) 24.746 18.204 ( 0.000 -13.644 5.669) 14.775 18.943 ( -0.000 -4.313 -15.496) 16.085 19.040 ( -0.000 7.989 6.065) 10.031 ======================= 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 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.07e-04 4.07e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.201 ( -3.146 -2.023 15.392) 15.840 3.332 ( -11.917 -0.759 2.938) 12.298 3.362 ( -16.890 3.058 8.047) 18.957 3.541 ( -5.375 2.737 20.031) 20.919 3.937 ( 0.518 -8.629 -5.885) 10.458 4.176 ( 18.011 9.754 -2.957) 20.695 4.365 ( 8.998 4.166 -6.709) 11.972 4.398 ( 7.869 -5.158 -5.268) 10.783 4.525 ( 4.803 -1.921 2.071) 5.572 4.697 ( -1.605 6.986 1.244) 7.275 4.897 ( -0.076 5.295 -5.235) 7.446 5.204 ( -0.024 -4.368 -2.875) 5.229 5.276 ( -1.533 0.677 2.148) 2.724 5.373 ( 0.727 -3.661 3.353) 5.017 5.595 ( -12.758 1.543 6.828) 14.552 5.750 ( -3.670 3.303 6.122) 7.865 5.929 ( -6.696 -0.477 -2.250) 7.080 6.122 ( 1.638 4.339 2.005) 5.053 6.148 ( -1.375 -2.463 0.178) 2.827 6.297 ( -0.404 -8.613 4.227) 9.603 6.419 ( -7.320 -5.862 -5.595) 10.920 6.464 ( 7.978 1.807 -1.585) 8.333 6.780 ( -1.799 5.065 -3.320) 6.317 6.783 ( 5.267 1.375 8.495) 10.089 6.963 ( 8.547 0.299 -8.211) 11.856 7.098 ( 0.389 7.731 6.100) 9.856 7.214 ( 0.300 3.251 -1.328) 3.525 7.392 ( -8.659 -7.130 2.852) 11.573 7.473 ( -0.109 -0.618 -7.028) 7.056 7.529 ( -0.157 -6.840 -12.253) 14.034 7.624 ( 7.400 -2.280 0.741) 7.778 7.713 ( 3.857 -1.144 -4.108) 5.750 8.191 ( 1.856 -2.668 -3.268) 4.609 8.608 ( -2.121 5.746 -2.773) 6.723 9.105 ( 1.669 2.359 3.001) 4.166 9.353 ( -0.935 -9.135 3.680) 9.892 9.616 ( -0.818 -9.184 0.366) 9.228 9.674 ( -5.589 -8.805 -0.120) 10.430 10.083 ( -2.633 2.071 -1.288) 3.589 10.370 ( -5.508 -0.254 5.084) 7.500 10.489 ( -1.588 0.574 0.492) 1.759 10.639 ( -1.506 0.646 0.012) 1.639 10.816 ( -1.188 2.858 1.300) 3.356 11.009 ( 4.778 -2.385 -3.606) 6.444 11.184 ( 10.976 4.328 -1.601) 11.906 11.358 ( 2.156 2.634 1.953) 3.924 11.904 ( -5.092 3.730 -1.836) 6.574 12.149 ( 1.951 4.109 -2.134) 5.024 12.240 ( 0.554 0.632 -0.528) 0.993 12.291 ( -1.755 2.105 0.918) 2.891 12.358 ( -1.095 2.449 2.052) 3.378 12.469 ( 3.836 0.180 -4.414) 5.851 12.685 ( 0.711 -1.602 -0.223) 1.766 12.935 ( 2.150 4.918 -1.469) 5.565 14.537 ( 0.204 -3.505 0.429) 3.537 15.353 ( -0.581 7.035 -6.617) 9.675 15.448 ( 2.256 -0.545 -10.285) 10.543 15.575 ( 4.442 10.859 -6.188) 13.264 16.217 ( -6.013 -4.138 8.581) 11.266 16.724 ( 5.624 -11.398 5.703) 13.931 16.998 ( -4.275 -4.865 6.196) 8.963 17.489 ( -2.693 3.446 7.176) 8.404 17.953 ( -1.033 5.280 17.352) 18.167 18.078 ( -9.237 -12.261 3.349) 15.713 18.718 ( -3.794 -3.088 -13.195) 14.073 19.180 ( 5.834 4.975 1.433) 7.800 ======================= 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 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.07e-04 4.07e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.008 ( -26.212 -2.310 4.232) 26.652 3.042 ( -29.902 -1.049 5.702) 30.459 3.405 ( 6.660 -3.773 3.793) 8.543 3.699 ( 4.196 -16.371 -3.427) 17.244 3.906 ( 3.345 -2.682 15.113) 15.710 4.285 ( -6.383 -3.688 2.624) 7.824 4.430 ( 4.489 3.673 -1.235) 5.930 4.547 ( 11.160 11.590 -3.285) 16.422 4.635 ( -2.302 3.923 6.307) 7.776 4.815 ( 11.260 4.772 2.273) 12.439 4.935 ( 4.642 6.666 -2.687) 8.556 5.120 ( 2.809 -7.955 -3.564) 9.158 5.202 ( -3.423 -5.119 -3.878) 7.277 5.383 ( -11.991 1.268 2.701) 12.357 5.454 ( -3.047 2.396 1.119) 4.035 5.606 ( -10.951 -4.876 -6.117) 13.458 5.817 ( -3.455 0.414 -1.501) 3.790 6.165 ( 2.096 -0.481 -0.114) 2.153 6.216 ( 0.171 -1.667 -1.957) 2.576 6.256 ( 1.873 -1.274 -2.533) 3.398 6.309 ( 0.880 -4.463 5.498) 7.136 6.608 ( 8.205 6.635 -2.530) 10.851 6.740 ( -2.114 5.048 -4.132) 6.858 6.921 ( -0.984 -1.379 1.348) 2.165 7.015 ( 9.046 -1.402 -2.755) 9.559 7.183 ( -4.819 1.546 4.693) 6.902 7.234 ( 3.185 0.451 -3.985) 5.121 7.286 ( -3.531 -1.171 2.454) 4.457 7.396 ( 1.459 2.914 3.757) 4.974 7.467 ( 2.996 -1.200 -0.493) 3.265 7.714 ( 5.884 -0.468 0.191) 5.905 7.757 ( 5.755 1.038 -0.624) 5.881 8.155 ( 3.102 -0.303 -6.764) 7.447 8.545 ( -2.837 5.235 -9.366) 11.098 9.214 ( 0.921 0.824 10.153) 10.228 9.332 ( 0.595 -7.153 4.271) 8.353 9.492 ( -8.735 -5.840 0.355) 10.514 9.598 ( 0.313 -6.248 4.279) 7.580 10.055 ( -4.950 1.614 2.870) 5.945 10.289 ( -5.001 -3.360 -5.738) 8.320 10.418 ( -5.344 1.238 0.463) 5.505 10.568 ( -2.678 0.414 -7.480) 7.956 10.825 ( -0.282 3.461 -1.562) 3.808 11.071 ( 9.702 -2.890 -3.786) 10.808 11.350 ( 7.729 2.876 0.953) 8.302 11.491 ( 7.941 0.402 7.110) 10.667 11.822 ( -7.677 2.590 -0.652) 8.129 12.189 ( -0.059 4.106 0.125) 4.108 12.229 ( -1.111 0.763 -3.121) 3.400 12.296 ( 0.951 0.440 0.352) 1.105 12.349 ( -0.700 0.896 0.843) 1.416 12.562 ( 4.475 1.881 4.854) 6.865 12.667 ( 0.698 -0.312 -3.600) 3.680 12.994 ( 4.187 4.123 -2.653) 6.447 14.553 ( 1.834 -1.509 3.625) 4.334 15.301 ( 0.165 1.796 -12.583) 12.711 15.393 ( 1.768 6.947 -2.894) 7.730 15.686 ( 6.495 12.239 -5.613) 14.950 16.190 ( -5.897 -7.979 11.240) 14.993 16.782 ( 7.205 -7.092 -0.137) 10.111 16.936 ( -8.991 -7.050 8.725) 14.376 17.513 ( -6.522 1.491 4.077) 7.834 17.836 ( -12.774 -11.327 0.969) 17.100 18.054 ( -1.483 -7.079 -1.527) 7.392 18.569 ( -7.981 5.403 4.104) 10.476 19.295 ( 7.778 2.167 -2.979) 8.606 ======================= 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 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.07e-04 4.07e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.649 ( -32.240 1.371 7.295) 33.084 2.695 ( -31.156 -5.321 10.242) 33.225 3.458 ( 13.321 -12.905 -6.217) 19.561 3.544 ( 7.241 -18.681 -10.094) 22.434 4.056 ( -24.529 -7.181 11.626) 28.079 4.104 ( 0.470 -1.464 14.871) 14.950 4.570 ( -2.357 3.723 12.647) 13.393 4.679 ( -4.846 7.817 4.589) 10.279 4.744 ( 6.050 14.168 -6.159) 16.591 4.907 ( -2.486 -2.998 -6.567) 7.635 4.944 ( 1.087 -1.490 -4.782) 5.125 5.038 ( -5.727 4.824 -0.824) 7.533 5.198 ( 4.749 -2.728 -0.010) 5.477 5.281 ( 4.912 2.665 -3.983) 6.863 5.397 ( -5.386 -3.624 -0.309) 6.500 5.508 ( 4.577 -2.407 0.592) 5.205 5.805 ( 4.295 0.710 -4.043) 5.940 6.129 ( 6.658 -5.714 -9.196) 12.711 6.165 ( -0.982 2.062 -1.740) 2.872 6.288 ( 0.863 1.526 -0.666) 1.875 6.381 ( 3.873 -4.801 7.045) 9.364 6.686 ( -1.984 5.830 -4.690) 7.741 6.706 ( 0.716 4.976 -4.291) 6.609 6.814 ( 2.777 -5.144 -7.695) 9.664 7.020 ( -6.223 -5.091 2.212) 8.339 7.178 ( -1.136 -2.293 -0.620) 2.633 7.271 ( 6.202 2.216 -0.861) 6.642 7.328 ( 6.603 2.588 0.995) 7.162 7.546 ( 1.150 6.057 9.360) 11.208 7.602 ( 3.587 5.036 10.027) 11.780 7.777 ( 3.027 0.794 -0.483) 3.166 7.853 ( 4.227 1.222 3.513) 5.630 8.129 ( 4.842 1.869 -8.205) 9.709 8.419 ( -1.971 3.784 -12.975) 13.658 9.282 ( -8.584 -3.684 2.674) 9.716 9.353 ( 4.321 -2.482 3.667) 6.187 9.408 ( -2.532 -2.776 11.761) 12.347 9.638 ( 0.503 -3.546 7.988) 8.754 10.029 ( -7.413 0.909 5.168) 9.082 10.118 ( -1.340 -3.327 -8.771) 9.476 10.363 ( -2.836 1.574 -6.595) 7.350 10.448 ( -2.444 1.581 -4.318) 5.207 10.826 ( -0.049 3.974 -3.485) 5.286 11.103 ( 8.610 -5.749 -6.551) 12.252 11.477 ( 2.965 1.560 5.490) 6.432 11.641 ( 3.257 0.389 -2.437) 4.086 11.781 ( -1.039 0.405 8.066) 8.143 12.144 ( -1.767 -1.172 -6.689) 7.016 12.218 ( -1.158 2.362 2.001) 3.305 12.317 ( -2.840 1.514 3.635) 4.855 12.396 ( 4.141 -0.166 0.998) 4.263 12.613 ( -0.855 1.103 -5.680) 5.849 12.701 ( 3.245 2.395 6.395) 7.561 13.046 ( 5.449 2.386 -4.930) 7.726 14.649 ( 4.530 -0.100 7.033) 8.366 15.143 ( -0.976 1.653 -15.372) 15.492 15.516 ( 3.767 10.320 4.137) 11.740 15.795 ( 2.702 10.358 -2.723) 11.046 16.209 ( 0.611 -7.929 10.258) 12.979 16.708 ( -3.677 -8.729 -6.009) 11.217 16.923 ( -3.402 -3.136 11.003) 11.936 17.392 ( -14.625 2.228 -2.970) 15.089 17.625 ( -5.079 -11.772 2.412) 13.046 17.817 ( -4.672 -14.101 -12.597) 19.477 18.648 ( -9.132 8.586 16.183) 20.470 19.358 ( 7.927 0.209 -6.586) 10.308 ======================= 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 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.07e-04 4.07e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( -31.996 1.256 12.442) 34.353 2.371 ( -29.390 -0.186 16.378) 33.646 3.384 ( 8.506 -16.804 -11.918) 22.288 3.459 ( 16.390 -17.982 -7.148) 25.358 3.845 ( -27.802 -4.347 25.860) 38.218 4.238 ( -0.216 0.655 5.856) 5.896 4.606 ( -7.899 1.023 -2.745) 8.424 4.655 ( -4.553 -0.030 8.068) 9.264 4.792 ( -3.729 -0.455 0.985) 3.884 4.834 ( -0.841 8.286 -0.884) 8.376 4.873 ( -6.576 8.541 -5.324) 12.023 5.048 ( -6.831 8.262 5.537) 12.066 5.130 ( -2.170 -0.285 -5.447) 5.870 5.358 ( 3.939 -3.021 -1.736) 5.259 5.418 ( 11.744 -1.311 -4.725) 12.727 5.538 ( 3.636 -2.882 -3.021) 5.537 5.828 ( 8.347 -4.101 -4.127) 10.175 6.084 ( 12.438 -8.609 -11.861) 19.222 6.201 ( -0.170 7.054 2.048) 7.347 6.284 ( -2.028 3.475 -0.794) 4.101 6.461 ( 4.004 -4.122 2.317) 6.196 6.611 ( -6.811 6.299 -2.575) 9.628 6.691 ( 5.489 -1.507 -5.842) 8.157 6.837 ( 3.957 -1.416 2.200) 4.743 6.924 ( -2.093 -3.060 0.496) 3.740 7.067 ( -1.484 -7.001 -5.035) 8.750 7.413 ( 4.988 5.607 0.756) 7.543 7.442 ( 5.050 4.428 -0.773) 6.761 7.691 ( 2.217 4.959 4.914) 7.325 7.771 ( 0.103 2.926 -1.290) 3.200 7.845 ( 4.268 3.890 10.500) 11.983 7.969 ( 0.107 -0.317 10.662) 10.667 8.125 ( 4.878 1.445 -8.213) 9.661 8.269 ( -0.627 1.951 -13.770) 13.921 9.149 ( -8.368 -0.829 0.497) 8.424 9.417 ( 7.117 -4.211 0.080) 8.270 9.562 ( -0.790 -0.378 18.311) 18.332 9.722 ( 0.165 -2.163 9.721) 9.960 9.953 ( -6.847 -0.835 -2.587) 7.367 10.036 ( 4.205 -3.046 -5.056) 7.247 10.247 ( -3.290 3.659 -5.584) 7.442 10.432 ( 0.117 1.543 -0.981) 1.832 10.804 ( -1.421 4.395 -4.250) 6.276 11.082 ( 5.821 -7.753 -4.811) 10.823 11.562 ( -0.284 2.400 1.075) 2.645 11.592 ( -3.370 2.064 -1.440) 4.206 11.911 ( 4.765 -2.763 6.597) 8.594 12.031 ( -0.304 -3.210 -6.261) 7.042 12.247 ( -0.845 1.387 2.797) 3.234 12.321 ( -1.937 0.070 1.010) 2.186 12.434 ( -1.208 0.512 1.477) 1.975 12.552 ( -0.975 2.791 -4.707) 5.558 12.819 ( 0.812 1.726 6.160) 6.448 13.061 ( 5.309 0.733 -8.143) 9.749 14.832 ( 6.963 1.124 8.519) 11.060 14.980 ( 0.710 0.586 -12.089) 12.124 15.715 ( 1.241 10.912 7.174) 13.118 15.866 ( -1.707 8.860 1.085) 9.088 16.285 ( 3.657 -5.438 4.325) 7.852 16.491 ( -4.332 -9.497 -6.187) 12.134 16.955 ( -7.769 0.006 7.333) 10.683 17.175 ( -9.569 4.099 -4.678) 11.413 17.480 ( -7.500 -12.105 -8.499) 16.583 17.571 ( 3.528 -13.768 4.477) 14.901 18.767 ( -10.194 7.202 16.576) 20.749 19.369 ( 7.320 -1.082 -9.324) 11.903 ======================= 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 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.07e-04 4.07e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.270 ( 0.000 -9.123 0.936) 9.171 3.445 ( 0.000 -0.125 5.438) 5.439 3.633 ( 0.000 -11.850 -0.412) 11.857 3.791 ( -0.000 -3.629 9.704) 10.360 3.850 ( 0.000 4.272 2.250) 4.828 4.036 ( 0.000 10.458 6.045) 12.080 4.264 ( 0.000 0.146 -6.167) 6.169 4.322 ( 0.000 2.624 8.007) 8.426 4.498 ( 0.000 -1.719 4.248) 4.582 4.806 ( -0.000 9.075 3.830) 9.850 4.907 ( 0.000 9.561 -3.709) 10.255 5.107 ( 0.000 -9.850 -4.714) 10.920 5.310 ( -0.001 -8.412 -1.164) 8.492 5.313 ( 0.001 -0.601 0.849) 1.040 5.701 ( 0.000 -1.699 -9.124) 9.281 5.894 ( -0.000 0.077 2.886) 2.887 5.943 ( 0.000 5.552 -1.826) 5.845 6.003 ( 0.000 1.208 -2.865) 3.109 6.284 ( 0.000 -6.138 4.564) 7.649 6.337 ( -0.000 0.641 -1.011) 1.197 6.343 ( 0.000 -0.672 -0.471) 0.821 6.381 ( 0.000 -3.938 -2.469) 4.648 6.738 ( 0.000 -1.617 -10.744) 10.865 6.794 ( -0.000 1.619 2.477) 2.960 6.906 ( 0.000 5.562 10.225) 11.640 7.249 ( 0.000 1.749 -7.263) 7.471 7.263 ( -0.000 8.097 8.542) 11.769 7.342 ( 0.000 -0.999 -0.409) 1.080 7.396 ( -0.000 -5.281 -4.074) 6.670 7.472 ( 0.000 -1.579 0.547) 1.671 7.541 ( -0.000 -4.606 5.143) 6.904 7.649 ( 0.000 2.730 -2.474) 3.684 8.110 ( 0.000 0.183 -7.019) 7.021 8.592 ( 0.000 5.555 -10.677) 12.036 9.180 ( 0.000 0.803 8.891) 8.927 9.342 ( -0.000 -9.310 7.247) 11.798 9.576 ( 0.000 -6.834 4.027) 7.933 9.651 ( 0.000 -7.283 0.050) 7.283 10.122 ( 0.000 1.915 2.675) 3.290 10.400 ( 0.000 -1.939 -3.965) 4.413 10.508 ( 0.000 -0.094 -4.156) 4.157 10.604 ( 0.000 0.586 -8.758) 8.777 10.842 ( -0.000 -1.774 -1.288) 2.192 10.963 ( -0.000 3.543 2.222) 4.182 11.109 ( 0.000 3.805 -0.083) 3.806 11.406 ( 0.000 1.427 5.978) 6.146 11.953 ( -0.000 3.491 -1.961) 4.004 12.152 ( 0.000 3.859 0.726) 3.927 12.240 ( 0.000 1.219 -0.529) 1.329 12.320 ( -0.000 2.443 -1.211) 2.727 12.347 ( 0.000 0.523 -5.006) 5.033 12.501 ( 0.000 2.138 9.428) 9.668 12.644 ( 0.000 -1.733 -3.087) 3.540 12.936 ( -0.000 4.562 -2.697) 5.300 14.531 ( 0.000 -2.837 3.588) 4.574 15.312 ( 0.000 1.753 -11.805) 11.934 15.366 ( 0.000 8.028 -3.018) 8.576 15.561 ( 0.000 13.180 -7.202) 15.019 16.338 ( 0.000 -4.226 9.819) 10.690 16.634 ( 0.000 -13.242 4.387) 13.949 17.062 ( 0.000 -6.984 7.480) 10.234 17.597 ( 0.000 0.142 5.756) 5.758 18.061 ( -0.000 -5.093 -2.686) 5.758 18.069 ( 0.000 -11.406 0.972) 11.447 18.681 ( 0.000 5.067 3.122) 5.952 19.160 ( 0.000 3.015 -3.333) 4.494 ======================= 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 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.07e-04 4.07e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.147 ( 5.476 -14.207 -10.335) 18.402 3.350 ( -5.075 -14.733 -6.727) 16.972 3.441 ( -10.268 -8.023 4.800) 13.886 3.543 ( -29.204 0.711 3.784) 29.457 4.089 ( 2.742 -1.456 18.859) 19.113 4.246 ( 6.123 2.073 -4.478) 7.864 4.390 ( 18.149 8.571 2.499) 20.226 4.500 ( 2.414 6.155 13.472) 15.007 4.633 ( 11.172 -1.685 5.828) 12.713 4.874 ( -5.129 2.762 3.916) 7.020 4.942 ( -1.782 2.662 -6.027) 6.826 4.988 ( 2.145 1.537 -3.013) 4.005 5.188 ( -4.511 -3.325 -2.664) 6.205 5.349 ( 4.625 -4.536 0.773) 6.524 5.471 ( -1.849 -5.374 -18.416) 19.273 5.765 ( -14.135 3.562 0.368) 14.581 5.917 ( -9.535 0.715 2.332) 9.842 6.090 ( -1.271 -4.560 -6.240) 7.832 6.133 ( 2.880 -0.609 -5.269) 6.036 6.225 ( -1.453 -4.590 -0.692) 4.864 6.387 ( -2.467 0.667 7.527) 7.949 6.455 ( 11.044 0.431 -3.836) 11.700 6.656 ( 3.873 -2.313 -7.859) 9.061 6.921 ( 5.059 2.513 6.446) 8.571 7.014 ( -6.701 5.796 -2.671) 9.253 7.147 ( 4.778 2.103 -1.021) 5.319 7.256 ( -1.148 -7.091 -3.920) 8.183 7.324 ( -6.166 -2.263 2.043) 6.879 7.499 ( 2.874 6.339 9.773) 11.998 7.539 ( -0.394 5.866 12.091) 13.444 7.646 ( 5.719 2.178 3.001) 6.816 7.698 ( 4.833 2.909 1.978) 5.978 8.038 ( 1.687 2.603 -9.554) 10.045 8.470 ( -1.245 4.572 -15.559) 16.265 9.254 ( 1.906 -5.956 4.024) 7.437 9.421 ( -1.375 -2.931 17.199) 17.501 9.543 ( -4.401 -4.231 -0.027) 6.105 9.624 ( -0.123 -3.383 6.809) 7.604 10.171 ( -2.672 1.829 5.884) 6.716 10.246 ( -6.337 -3.070 -10.384) 12.547 10.426 ( -0.358 -0.435 -8.446) 8.465 10.471 ( 0.569 0.011 -13.204) 13.216 10.828 ( 3.934 -2.453 -2.768) 5.399 10.977 ( -5.200 4.375 1.877) 7.050 11.261 ( 10.635 1.963 4.557) 11.736 11.508 ( 2.658 0.737 6.339) 6.913 11.925 ( -4.374 1.900 0.143) 4.771 12.199 ( -1.004 2.448 -2.475) 3.623 12.238 ( 0.196 1.853 -0.149) 1.869 12.292 ( 0.310 -0.565 1.720) 1.837 12.351 ( 1.432 1.383 -1.483) 2.483 12.599 ( 1.269 0.236 -4.693) 4.867 12.635 ( 0.773 2.377 9.487) 9.810 12.942 ( 1.971 3.149 -4.239) 5.636 14.578 ( 1.097 -1.575 6.678) 6.949 15.183 ( -1.478 4.012 -13.568) 14.226 15.437 ( 1.518 9.610 1.885) 9.910 15.622 ( 5.457 12.931 -7.504) 15.915 16.354 ( -7.113 -7.714 11.526) 15.587 16.624 ( 5.878 -9.186 0.174) 10.907 17.058 ( -3.347 -9.349 8.582) 13.125 17.613 ( -3.252 -2.991 2.731) 5.195 17.848 ( -3.138 -11.821 -14.221) 18.756 17.939 ( -6.747 -9.148 -1.896) 11.523 18.826 ( -3.426 8.701 13.553) 16.466 19.150 ( 5.566 0.324 -7.751) 9.548 ======================= 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 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.07e-04 4.07e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.002 ( 10.891 -19.060 -10.902) 24.510 3.100 ( 1.974 -16.945 -10.419) 19.990 3.197 ( -27.496 -2.506 7.111) 28.511 3.221 ( -21.350 -5.203 5.324) 22.610 4.239 ( 1.124 -6.966 8.520) 11.063 4.316 ( -4.121 3.376 7.796) 9.442 4.665 ( 7.986 7.077 -0.237) 10.673 4.723 ( 5.003 0.607 -2.623) 5.681 4.772 ( 1.473 1.042 0.435) 1.856 4.803 ( 7.798 -4.001 -0.536) 8.780 4.954 ( -7.225 7.385 7.495) 12.764 5.010 ( 9.072 -1.628 0.298) 9.222 5.073 ( -0.569 -2.022 -8.189) 8.454 5.269 ( -2.508 3.815 -7.975) 9.189 5.406 ( 4.758 -5.198 3.009) 7.663 5.595 ( -10.980 -0.167 -2.035) 11.168 5.801 ( -8.257 -0.652 1.103) 8.356 5.867 ( -3.181 -5.402 -7.695) 9.926 6.195 ( 2.817 -0.255 1.746) 3.324 6.247 ( 3.815 3.420 -1.189) 5.260 6.451 ( -1.270 0.832 7.122) 7.282 6.580 ( 9.666 -1.920 -0.523) 9.869 6.594 ( 1.683 -0.251 -5.760) 6.006 6.859 ( -8.424 7.604 -8.096) 13.940 7.044 ( -0.082 -4.425 4.730) 6.478 7.127 ( -1.004 -9.080 -4.211) 10.059 7.280 ( 1.480 6.038 3.288) 7.033 7.296 ( 2.470 3.847 2.423) 5.174 7.645 ( 2.436 2.246 4.884) 5.902 7.726 ( 3.164 4.255 -0.525) 5.328 7.768 ( 1.037 8.217 11.785) 14.404 7.887 ( 5.197 1.933 12.000) 13.219 7.993 ( 3.646 4.919 -9.348) 11.175 8.300 ( -1.259 3.534 -16.783) 17.197 9.263 ( 3.417 -6.888 1.120) 7.770 9.400 ( -8.752 -0.936 -0.801) 8.838 9.623 ( -1.860 -1.852 20.043) 20.214 9.698 ( 1.087 -1.395 7.109) 7.326 10.017 ( -3.582 -3.252 -10.359) 11.433 10.144 ( -6.555 -0.211 -6.925) 9.538 10.313 ( -0.979 2.852 -2.259) 3.767 10.392 ( 3.476 -0.975 -7.931) 8.714 10.849 ( 5.790 -3.020 -1.658) 6.737 10.945 ( -5.305 3.958 -0.331) 6.627 11.463 ( 8.158 0.038 5.632) 9.913 11.599 ( 1.993 1.060 1.222) 2.567 11.901 ( -3.654 -0.134 5.462) 6.573 12.091 ( -3.628 -0.438 -8.018) 8.812 12.270 ( -0.489 -0.167 3.310) 3.350 12.332 ( 1.547 -0.339 -2.097) 2.628 12.396 ( 2.729 1.757 5.053) 6.006 12.555 ( 0.692 1.441 -6.327) 6.525 12.785 ( 1.135 3.397 9.648) 10.291 12.941 ( 3.158 1.746 -5.917) 6.930 14.690 ( 3.012 -0.610 9.755) 10.227 15.031 ( -3.020 4.982 -13.990) 15.155 15.608 ( 4.375 11.646 5.976) 13.802 15.734 ( 8.319 11.679 -7.314) 16.097 16.328 ( -5.743 -9.822 13.180) 17.412 16.574 ( -0.258 -6.106 -7.655) 9.795 17.062 ( -1.037 -8.972 12.282) 15.245 17.463 ( -6.507 -4.963 -15.324) 17.372 17.590 ( -2.953 -13.287 -0.536) 13.622 17.715 ( -11.625 -7.593 -2.601) 14.126 18.990 ( -5.743 7.972 14.326) 17.372 19.139 ( 8.689 -1.787 -10.907) 14.059 ======================= 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 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.07e-04 4.07e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.896 ( 1.410 -13.689 -3.253) 14.141 2.896 ( -12.560 -5.624 3.253) 14.141 2.959 ( 0.019 -13.684 -4.898) 14.535 2.959 ( -11.861 -6.825 4.898) 14.535 4.254 ( -1.946 -5.562 -7.345) 9.416 4.254 ( -3.844 -4.466 7.345) 9.416 4.671 ( -2.864 -1.373 -4.856) 5.803 4.671 ( 0.243 -3.167 4.856) 5.803 4.879 ( 1.197 3.207 -3.253) 4.722 4.879 ( 2.179 2.640 3.253) 4.722 5.013 ( 5.775 -0.765 -6.922) 9.047 5.013 ( -3.550 4.618 6.922) 9.047 5.209 ( 0.102 7.034 -5.466) 8.909 5.209 ( 6.041 3.605 5.466) 8.909 5.448 ( 3.166 -5.220 -4.752) 7.737 5.448 ( -6.104 0.131 4.752) 7.737 5.745 ( 2.641 -5.053 -3.859) 6.885 5.745 ( -5.697 -0.240 3.859) 6.885 6.277 ( 1.469 2.798 -3.583) 4.778 6.277 ( 1.689 2.671 3.583) 4.778 6.519 ( 3.714 -2.023 -7.021) 8.196 6.519 ( -3.609 2.205 7.021) 8.196 6.741 ( -7.356 7.654 -3.571) 11.201 6.741 ( 10.307 -2.543 3.571) 11.201 6.989 ( -2.411 -7.813 -3.967) 9.088 6.989 ( -5.561 -5.994 3.967) 9.088 7.407 ( 3.389 7.420 -2.035) 8.408 7.407 ( 4.732 6.645 2.035) 8.408 7.744 ( 1.110 2.988 -4.272) 5.330 7.744 ( 2.033 2.456 4.272) 5.330 7.970 ( 4.785 3.333 -9.181) 10.876 7.970 ( 0.494 5.810 9.181) 10.876 8.122 ( -0.479 1.995 -15.332) 15.469 8.122 ( 1.968 0.583 15.332) 15.469 9.275 ( 3.467 -5.208 -0.924) 6.324 9.275 ( -6.244 0.398 0.924) 6.324 9.747 ( 1.972 -1.565 -5.562) 6.106 9.747 ( -2.341 0.925 5.562) 6.106 9.937 ( -5.549 -0.365 -5.336) 7.707 9.937 ( 2.459 -4.988 5.336) 7.707 10.354 ( 4.130 -0.916 -6.555) 7.801 10.354 ( -2.858 3.118 6.555) 7.801 10.896 ( 4.791 -2.504 -3.894) 6.662 10.896 ( -4.564 2.897 3.894) 6.662 11.596 ( -1.463 2.404 -3.716) 4.661 11.596 ( 2.814 -0.065 3.716) 4.661 11.947 ( -2.208 -1.523 -7.815) 8.263 11.947 ( -0.215 -2.674 7.815) 8.263 12.300 ( -0.228 -0.815 -3.689) 3.785 12.300 ( -0.592 -0.605 3.689) 3.785 12.507 ( 0.858 1.885 -5.738) 6.100 12.507 ( 1.203 1.686 5.738) 6.100 12.917 ( 2.943 0.843 -7.932) 8.503 12.917 ( -0.741 2.971 7.932) 8.503 14.872 ( -3.255 4.610 -12.609) 13.814 14.872 ( 5.619 -0.514 12.609) 13.814 15.854 ( 7.708 10.441 -7.490) 14.984 15.854 ( 5.188 11.895 7.490) 14.984 16.350 ( -5.667 -6.529 -13.653) 16.160 16.350 ( -2.821 -8.172 13.653) 16.160 17.158 ( -4.300 -3.654 -14.756) 15.798 17.158 ( -1.015 -5.551 14.756) 15.798 17.467 ( -11.357 -6.911 -1.865) 13.425 17.467 ( -0.307 -13.291 1.865) 13.425 19.111 ( 9.593 -3.108 -12.952) 16.415 19.111 ( -7.488 6.753 12.952) 16.415 ======================= 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 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.07e-04 4.07e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.818 ( 0.000 -17.819 -16.435) 24.241 2.985 ( 0.000 -26.935 -15.549) 31.101 3.741 ( 0.000 0.695 15.509) 15.524 3.847 ( 0.000 -4.275 1.660) 4.586 4.020 ( 0.000 -8.768 0.306) 8.773 4.227 ( -0.000 15.065 2.464) 15.265 4.446 ( 0.000 1.013 16.101) 16.133 4.577 ( 0.000 -0.855 2.491) 2.634 4.674 ( 0.000 -1.723 6.696) 6.914 4.792 ( -0.000 -1.303 -3.282) 3.531 4.919 ( -0.000 -6.086 -16.782) 17.852 5.039 ( 0.000 2.724 3.901) 4.758 5.119 ( -0.000 -6.668 -12.766) 14.402 5.278 ( -0.000 5.192 -0.404) 5.208 5.300 ( 0.000 -0.233 2.290) 2.301 5.868 ( 0.000 -11.893 -6.099) 13.365 5.992 ( -0.000 5.474 -6.355) 8.387 6.005 ( -0.000 2.418 -8.111) 8.463 6.066 ( -0.000 4.305 6.063) 7.435 6.202 ( 0.000 -4.886 1.804) 5.208 6.353 ( 0.000 0.088 1.217) 1.220 6.530 ( -0.000 -0.527 -2.852) 2.900 6.551 ( 0.000 4.804 10.191) 11.267 6.937 ( -0.000 1.725 -5.158) 5.439 7.079 ( -0.000 5.342 0.923) 5.421 7.130 ( 0.000 -10.669 -4.418) 11.547 7.181 ( -0.000 5.014 6.200) 7.973 7.388 ( -0.000 1.061 -0.342) 1.115 7.556 ( 0.000 -2.886 6.572) 7.178 7.683 ( -0.000 6.644 -0.442) 6.659 7.759 ( -0.000 10.328 11.885) 15.745 7.788 ( 0.000 5.332 15.057) 15.973 7.943 ( -0.000 4.916 -9.815) 10.977 8.319 ( -0.000 3.675 -17.657) 18.035 9.218 ( 0.000 -8.334 2.481) 8.695 9.544 ( -0.000 -0.872 -1.419) 1.665 9.639 ( 0.000 -1.830 21.387) 21.465 9.683 ( 0.000 -0.898 5.589) 5.661 10.155 ( -0.000 -2.721 -12.692) 12.981 10.253 ( 0.000 -3.227 -4.322) 5.394 10.285 ( -0.000 0.708 -17.445) 17.459 10.308 ( -0.000 1.717 1.268) 2.134 10.723 ( -0.000 -2.220 -4.605) 5.112 11.168 ( 0.000 4.919 7.215) 8.733 11.223 ( 0.000 0.887 5.929) 5.995 11.556 ( 0.000 0.094 4.490) 4.491 11.973 ( 0.000 0.958 1.579) 1.847 12.185 ( -0.000 1.029 -7.718) 7.786 12.227 ( -0.000 0.913 -0.527) 1.054 12.327 ( 0.000 -1.936 5.191) 5.540 12.337 ( -0.000 1.596 0.978) 1.871 12.531 ( -0.000 0.914 -5.743) 5.815 12.774 ( 0.000 3.944 10.612) 11.321 12.895 ( -0.000 2.144 -5.350) 5.763 14.651 ( 0.000 -0.745 9.252) 9.282 15.089 ( -0.000 6.637 -13.010) 14.606 15.541 ( -0.000 10.006 4.428) 10.941 15.592 ( -0.000 11.426 -7.672) 13.763 16.486 ( 0.000 -10.364 -0.465) 10.375 16.501 ( 0.000 -5.283 11.158) 12.346 17.076 ( 0.000 -11.355 6.262) 12.967 17.547 ( -0.000 -13.767 -20.265) 24.498 17.626 ( 0.000 -7.840 3.048) 8.411 17.937 ( 0.000 -5.115 -0.700) 5.163 18.987 ( -0.000 -1.977 -12.536) 12.691 19.070 ( 0.000 8.065 13.377) 15.620 ======================= 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 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.07e-04 4.07e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.525 ( 8.439 -22.606 -16.353) 29.149 2.627 ( 6.785 -28.017 -16.583) 33.256 3.596 ( -20.910 -4.546 4.429) 21.852 3.683 ( -23.133 1.310 7.930) 24.490 4.125 ( 8.541 -9.344 -1.536) 12.752 4.357 ( 0.315 -9.797 -12.370) 15.783 4.543 ( 8.149 2.967 -4.188) 9.631 4.621 ( 6.182 -0.811 -0.687) 6.273 4.646 ( 1.905 -2.983 8.240) 8.968 4.720 ( 15.579 -7.427 -6.735) 18.527 4.872 ( -2.612 1.223 0.853) 3.008 4.988 ( 1.964 2.698 -5.220) 6.196 5.080 ( 1.720 -4.788 4.678) 6.911 5.349 ( -3.465 5.783 5.430) 8.656 5.386 ( -0.169 6.302 3.031) 6.995 5.621 ( -8.776 -7.215 -2.923) 11.731 5.881 ( -6.730 5.622 -3.582) 9.473 6.089 ( -4.815 3.243 4.820) 7.546 6.105 ( 4.113 3.643 -0.371) 5.507 6.229 ( 1.034 0.422 3.089) 3.284 6.439 ( 8.070 -1.321 2.137) 8.452 6.527 ( -1.375 1.638 2.746) 3.481 6.663 ( -4.757 3.983 6.699) 9.130 6.874 ( -0.895 6.193 -7.590) 9.837 7.006 ( 0.386 -9.873 -3.105) 10.357 7.112 ( -3.697 -0.327 3.796) 5.309 7.307 ( 3.681 5.220 3.232) 7.159 7.381 ( -1.954 3.554 1.743) 4.415 7.636 ( 4.024 0.259 2.471) 4.729 7.723 ( 0.836 5.203 -1.688) 5.534 7.875 ( 1.573 6.584 -7.836) 10.355 7.980 ( -0.619 7.956 9.815) 12.650 8.013 ( 2.956 2.819 10.804) 11.550 8.159 ( -0.507 3.204 -11.570) 12.016 9.180 ( 1.421 -8.316 0.846) 8.479 9.493 ( -5.445 2.394 -1.592) 6.158 9.702 ( 0.997 -0.363 -4.945) 5.058 9.849 ( -0.935 -2.859 17.738) 17.991 9.926 ( -4.965 -3.283 -11.917) 13.321 10.097 ( -4.269 1.116 -8.408) 9.495 10.196 ( 6.707 -2.933 -7.671) 10.603 10.382 ( 0.201 1.867 4.251) 4.647 10.713 ( 4.645 -1.009 -0.530) 4.783 11.147 ( -10.511 3.162 5.602) 12.323 11.419 ( 8.551 0.425 6.797) 10.931 11.593 ( 1.206 -0.707 0.142) 1.405 11.991 ( -2.033 -0.825 3.833) 4.416 12.064 ( -4.682 1.864 -7.227) 8.811 12.240 ( 3.639 -0.380 -2.845) 4.635 12.339 ( -1.393 -0.706 1.516) 2.177 12.406 ( 2.844 -1.414 4.131) 5.211 12.494 ( 1.305 1.505 -3.052) 3.644 12.856 ( 1.253 1.692 -5.762) 6.135 12.929 ( -0.193 5.180 9.999) 11.263 14.771 ( 1.550 0.344 9.893) 10.020 14.989 ( -3.459 7.876 -10.182) 13.329 15.627 ( 6.004 8.511 -7.075) 12.592 15.699 ( 3.858 8.913 4.539) 10.721 16.393 ( -1.702 -6.784 -0.517) 7.014 16.551 ( -4.213 -5.533 7.415) 10.166 17.060 ( 2.539 -12.329 5.063) 13.568 17.213 ( 0.468 -11.228 -17.971) 21.195 17.572 ( -3.048 -10.744 4.376) 11.994 17.815 ( -10.140 -3.807 -2.341) 11.081 18.853 ( 7.282 -3.981 -15.578) 17.651 19.252 ( -2.619 6.898 11.524) 13.684 ======================= 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 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.07e-04 4.07e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( 0.000 -25.628 -17.869) 31.243 2.148 ( 0.000 -32.196 -16.196) 36.040 3.606 ( 0.000 -31.179 -29.332) 42.808 3.745 ( 0.000 -2.902 1.608) 3.318 4.017 ( 0.000 -12.019 -5.805) 13.348 4.200 ( 0.000 1.744 14.492) 14.597 4.409 ( -0.000 -0.646 -8.870) 8.893 4.539 ( -0.000 0.678 -4.709) 4.757 4.616 ( 0.000 0.926 8.012) 8.065 4.716 ( -0.000 4.279 -0.668) 4.330 4.853 ( -0.000 -0.748 -4.115) 4.182 4.910 ( 0.000 -6.524 -0.543) 6.546 5.102 ( 0.000 -4.763 7.568) 8.942 5.466 ( -0.000 5.814 5.008) 7.674 5.488 ( -0.000 3.188 1.093) 3.370 5.707 ( 0.000 -1.786 9.434) 9.602 5.864 ( -0.000 3.500 -7.182) 7.990 6.074 ( -0.000 8.846 2.656) 9.236 6.270 ( 0.000 2.481 4.716) 5.329 6.316 ( -0.000 4.348 4.320) 6.129 6.384 ( 0.000 1.552 4.469) 4.731 6.609 ( 0.000 -1.115 5.789) 5.895 6.738 ( -0.000 4.189 -6.337) 7.596 6.910 ( 0.000 -5.534 -1.153) 5.653 6.932 ( -0.000 8.950 5.376) 10.440 7.182 ( 0.000 0.397 2.745) 2.774 7.343 ( 0.000 1.811 3.324) 3.785 7.420 ( -0.000 3.719 -0.566) 3.762 7.630 ( -0.000 2.175 -1.084) 2.430 7.725 ( -0.000 8.124 -6.841) 10.621 7.848 ( -0.000 4.611 -2.531) 5.260 7.956 ( -0.000 -0.444 -9.974) 9.984 8.164 ( -0.000 6.756 8.560) 10.905 8.223 ( 0.000 1.590 11.962) 12.067 9.108 ( 0.000 -8.720 -0.089) 8.720 9.521 ( -0.000 1.163 -9.909) 9.977 9.572 ( -0.000 3.199 -9.647) 10.163 9.811 ( -0.000 -3.117 -12.497) 12.880 9.875 ( 0.000 -7.252 -4.220) 8.390 10.127 ( -0.000 3.592 2.986) 4.671 10.159 ( 0.000 -1.024 13.370) 13.409 10.395 ( -0.000 1.183 -1.752) 2.114 10.731 ( 0.000 1.911 7.137) 7.389 11.345 ( 0.000 -5.258 5.990) 7.970 11.392 ( -0.000 4.799 5.116) 7.014 11.553 ( -0.000 -1.364 -3.494) 3.750 12.022 ( -0.000 2.047 -1.812) 2.734 12.093 ( -0.000 2.712 2.060) 3.406 12.159 ( -0.000 -0.447 -3.942) 3.968 12.302 ( -0.000 -2.396 -5.597) 6.088 12.448 ( 0.000 -3.232 8.022) 8.649 12.478 ( -0.000 0.523 0.376) 0.644 12.801 ( -0.000 1.925 -5.054) 5.408 13.088 ( -0.000 6.549 9.032) 11.156 14.847 ( -0.000 5.308 -0.053) 5.309 15.031 ( -0.000 6.392 3.615) 7.343 15.560 ( -0.000 4.624 -5.980) 7.559 15.731 ( -0.000 0.975 -1.277) 1.607 16.386 ( -0.000 3.380 1.027) 3.532 16.589 ( 0.000 -14.677 1.707) 14.776 16.951 ( -0.000 -5.061 -8.614) 9.990 16.985 ( 0.000 -9.695 1.146) 9.762 17.573 ( 0.000 -11.190 7.020) 13.210 17.834 ( 0.000 -4.504 -2.570) 5.185 18.554 ( -0.000 -5.867 -19.679) 20.535 19.433 ( 0.000 5.775 8.659) 10.408 ======================= 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 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.07e-04 4.07e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( 0.000 -0.000 36.766) 36.766 2.567 ( 0.000 -0.000 36.766) 36.766 3.611 ( 0.000 -0.000 1.941) 1.941 3.611 ( 0.000 -0.000 1.941) 1.941 3.699 ( -0.000 0.000 -16.338) 16.338 4.038 ( -0.000 0.000 -10.343) 10.343 4.276 ( 0.000 -0.000 42.839) 42.839 4.526 ( -0.000 0.000 -9.777) 9.777 4.594 ( 0.000 -0.000 -0.541) 0.541 4.594 ( 0.000 0.000 -0.541) 0.541 5.033 ( -0.000 0.000 -11.244) 11.244 5.033 ( -0.000 0.000 -11.244) 11.244 5.114 ( 0.000 -0.000 5.910) 5.910 5.114 ( 0.000 -0.000 5.910) 5.910 5.220 ( 0.000 -0.000 6.552) 6.552 5.736 ( 0.000 -0.000 6.927) 6.927 5.736 ( 0.000 0.000 6.927) 6.927 6.225 ( -0.000 0.000 -6.564) 6.564 6.517 ( 0.000 -0.000 0.829) 0.829 6.517 ( 0.000 -0.000 0.829) 0.829 6.570 ( 0.000 -0.000 5.644) 5.644 6.608 ( 0.000 -0.000 2.199) 2.199 6.715 ( -0.000 0.000 -4.140) 4.140 6.715 ( -0.000 0.000 -4.140) 4.140 7.004 ( 0.000 0.000 -9.840) 9.840 7.004 ( -0.000 0.000 -9.840) 9.840 7.469 ( -0.000 -0.000 -13.329) 13.329 7.469 ( -0.000 0.000 -13.329) 13.329 7.494 ( 0.000 -0.000 9.247) 9.247 7.621 ( 0.000 -0.000 4.003) 4.003 7.910 ( -0.000 -0.000 -8.959) 8.959 7.910 ( -0.000 0.000 -8.959) 8.959 8.364 ( 0.000 -0.000 6.238) 6.238 8.364 ( 0.000 -0.000 6.238) 6.238 9.052 ( -0.000 0.000 -1.361) 1.361 9.656 ( -0.000 0.000 -4.997) 4.997 9.977 ( 0.000 -0.000 1.106) 1.106 9.977 ( 0.000 0.000 1.106) 1.106 9.985 ( 0.000 -0.000 5.738) 5.738 10.284 ( 0.000 -0.000 2.978) 2.978 10.284 ( 0.000 -0.000 2.978) 2.978 10.415 ( 0.000 -0.000 17.075) 17.075 10.824 ( 0.000 -0.000 1.094) 1.094 10.824 ( 0.000 -0.000 1.094) 1.094 11.270 ( -0.000 0.000 -9.241) 9.241 11.270 ( -0.000 0.000 -9.241) 9.241 12.026 ( 0.000 -0.000 -5.197) 5.197 12.026 ( -0.000 0.000 -5.197) 5.197 12.171 ( 0.000 -0.000 2.196) 2.196 12.241 ( 0.000 -0.000 -0.191) 0.191 12.241 ( -0.000 0.000 -0.191) 0.191 12.579 ( 0.000 -0.000 7.341) 7.341 12.766 ( -0.000 0.000 -16.069) 16.069 12.878 ( -0.000 0.000 -0.554) 0.554 14.941 ( 0.000 -0.000 -6.274) 6.274 14.941 ( 0.000 0.000 -6.274) 6.274 15.703 ( -0.000 -0.000 -10.183) 10.183 15.703 ( -0.000 0.000 -10.183) 10.183 16.077 ( 0.000 -0.000 13.459) 13.459 16.911 ( 0.000 -0.000 4.258) 4.258 17.011 ( 0.000 -0.000 0.711) 0.711 17.148 ( 0.000 -0.000 19.833) 19.833 17.148 ( 0.000 0.000 19.833) 19.833 18.577 ( 0.000 0.000 10.315) 10.315 18.577 ( 0.000 0.000 10.315) 10.315 19.190 ( -0.000 0.000 -14.313) 14.313 ======================= 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 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.07e-04 4.07e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.908 ( -3.165 -1.827 33.059) 33.260 3.057 ( 6.123 3.535 34.968) 35.675 3.441 ( -14.222 -8.211 0.309) 16.425 3.494 ( -6.824 -3.940 -9.166) 12.087 3.828 ( 12.199 7.043 3.927) 14.623 4.016 ( 11.741 6.779 -10.025) 16.861 4.364 ( -3.447 -1.990 -6.470) 7.597 4.563 ( -3.023 -1.745 7.029) 7.848 4.577 ( 2.078 1.200 -3.273) 4.059 4.820 ( 5.939 3.429 11.337) 13.250 4.852 ( -0.336 -0.194 -12.435) 12.442 5.022 ( 7.005 4.045 -0.418) 8.100 5.151 ( -1.521 -0.878 -1.488) 2.302 5.177 ( 1.634 0.944 12.336) 12.480 5.385 ( 5.516 3.184 11.151) 12.842 5.674 ( -8.113 -4.684 10.339) 13.952 6.001 ( 10.752 6.207 3.605) 12.928 6.108 ( -5.805 -3.352 -6.462) 9.311 6.343 ( -11.483 -6.630 -2.302) 13.457 6.461 ( -8.337 -4.813 4.657) 10.694 6.618 ( -0.785 -0.453 -2.636) 2.788 6.634 ( 2.642 1.525 -4.486) 5.425 6.670 ( -1.714 -0.990 0.794) 2.133 6.742 ( -7.023 -4.055 -6.065) 10.127 6.791 ( 4.865 2.809 2.835) 6.293 7.034 ( 8.008 4.623 -8.504) 12.562 7.274 ( -1.429 -0.825 -10.615) 10.742 7.414 ( 4.533 2.617 -10.002) 11.289 7.541 ( -5.791 -3.344 6.190) 9.112 7.669 ( 1.132 0.654 2.945) 3.223 7.794 ( 0.642 0.371 -7.232) 7.270 7.816 ( -0.688 -0.397 -11.596) 11.623 8.348 ( -2.057 -1.188 -0.014) 2.376 8.453 ( 1.729 0.998 1.693) 2.617 9.042 ( 1.690 0.976 -1.841) 2.683 9.573 ( -6.719 -3.879 2.268) 8.084 9.917 ( -2.747 -1.586 -4.600) 5.588 9.937 ( -10.088 -5.825 3.248) 12.093 9.989 ( 0.545 0.315 -1.300) 1.445 10.314 ( -3.129 -1.806 6.455) 7.398 10.397 ( 3.723 2.149 8.477) 9.505 10.571 ( 0.289 0.167 8.835) 8.841 10.763 ( -1.629 -0.940 0.819) 2.051 11.001 ( 10.149 5.860 2.683) 12.022 11.158 ( -1.287 -0.743 -7.387) 7.535 11.219 ( 5.337 3.082 -7.676) 9.844 11.887 ( -3.642 -2.102 -4.238) 5.970 12.068 ( 5.029 2.903 -5.161) 7.769 12.217 ( -0.244 -0.141 4.600) 4.609 12.242 ( 1.019 0.589 -1.331) 1.777 12.257 ( 1.940 1.120 1.150) 2.518 12.591 ( -0.157 -0.091 -13.595) 13.596 12.660 ( 1.098 0.634 4.908) 5.069 12.868 ( 0.938 0.541 -2.351) 2.588 14.712 ( -7.262 -4.193 -3.285) 9.006 15.097 ( 12.542 7.241 -6.595) 15.914 15.540 ( -1.759 -1.015 -9.031) 9.256 15.609 ( 2.379 1.374 -13.723) 13.995 16.196 ( -3.427 -1.979 11.959) 12.597 16.919 ( -2.118 -1.223 3.095) 3.944 17.030 ( -1.747 -1.009 4.774) 5.183 17.310 ( -3.073 -1.774 19.493) 19.813 17.498 ( 5.376 3.104 23.387) 24.197 18.414 ( -15.382 -8.881 6.822) 19.027 18.902 ( 11.917 6.880 6.598) 15.261 18.996 ( -2.663 -1.538 -15.977) 16.270 ======================= 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 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.07e-04 4.07e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.101 ( -16.806 -9.703 2.789) 19.605 3.230 ( -3.518 -2.031 23.774) 24.118 3.231 ( -16.111 -9.302 0.072) 18.604 3.558 ( 6.950 4.013 31.354) 32.365 4.037 ( 4.632 2.674 0.418) 5.365 4.184 ( 14.502 8.373 -6.801) 18.074 4.353 ( 10.318 5.957 -6.514) 13.579 4.547 ( -1.535 -0.886 -0.655) 1.890 4.551 ( -1.310 -0.756 -3.501) 3.814 4.772 ( 2.952 1.704 -3.703) 5.033 4.844 ( -2.164 -1.249 1.461) 2.895 5.059 ( -2.857 -1.649 -4.994) 5.985 5.193 ( 7.985 4.610 -0.538) 9.235 5.405 ( 3.268 1.887 10.137) 10.816 5.584 ( -12.004 -6.930 2.005) 14.005 5.684 ( 6.151 3.551 13.476) 15.233 5.871 ( -11.440 -6.605 -3.349) 13.628 6.028 ( -5.833 -3.368 0.380) 6.746 6.309 ( 7.094 4.096 2.694) 8.623 6.363 ( -5.292 -3.055 -2.079) 6.455 6.462 ( -7.883 -4.551 -0.664) 9.127 6.550 ( -0.511 -0.295 -4.180) 4.221 6.576 ( -0.057 -0.033 -7.117) 7.117 6.854 ( 5.476 3.161 8.595) 10.670 6.922 ( 4.297 2.481 4.884) 6.962 7.090 ( 7.575 4.374 -6.993) 11.199 7.187 ( 1.787 1.032 -5.940) 6.288 7.410 ( -1.888 -1.090 -0.749) 2.305 7.441 ( -2.730 -1.576 -1.805) 3.633 7.613 ( -4.482 -2.588 -13.499) 14.457 7.738 ( 2.796 1.614 1.295) 3.478 7.768 ( 2.045 1.181 -3.619) 4.322 8.297 ( -0.310 -0.179 -5.289) 5.301 8.465 ( 1.098 0.634 -3.983) 4.179 9.091 ( 2.537 1.465 3.817) 4.811 9.485 ( -6.934 -4.003 5.266) 9.583 9.734 ( -13.361 -7.714 1.067) 15.465 9.811 ( -4.736 -2.734 -1.003) 5.560 9.979 ( -0.759 -0.438 -0.134) 0.887 10.320 ( -4.497 -2.596 7.188) 8.867 10.480 ( -1.355 -0.782 -1.583) 2.226 10.614 ( -0.958 -0.553 -0.231) 1.130 10.753 ( 1.124 0.649 -1.926) 2.322 11.121 ( 3.493 2.017 0.379) 4.051 11.257 ( 12.100 6.986 5.763) 15.114 11.275 ( 7.672 4.430 -5.496) 10.426 11.788 ( -3.371 -1.947 -2.718) 4.748 12.092 ( 2.250 1.299 -2.259) 3.443 12.242 ( 1.419 0.819 -3.112) 3.517 12.251 ( 1.220 0.704 1.619) 2.146 12.319 ( 0.222 0.128 2.305) 2.319 12.497 ( 3.146 1.817 -5.368) 6.482 12.707 ( -0.031 -0.018 0.650) 0.651 12.883 ( 4.393 2.537 -2.549) 5.677 14.600 ( -3.237 -1.869 0.190) 3.743 15.216 ( 8.115 4.685 -7.042) 11.722 15.481 ( 1.744 1.007 -15.788) 15.916 15.482 ( 5.589 3.227 -5.979) 8.798 16.234 ( -6.281 -3.627 11.637) 13.712 16.919 ( -0.879 -0.508 1.774) 2.044 17.031 ( -5.732 -3.309 6.861) 9.533 17.442 ( -4.556 -2.630 14.928) 15.828 17.847 ( 2.887 1.667 24.578) 24.803 18.174 ( -16.876 -9.744 3.650) 19.826 18.732 ( -5.703 -3.293 -17.192) 18.410 19.154 ( 10.144 5.857 2.117) 11.903 ======================= 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 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.07e-04 4.07e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.736 ( -22.593 -13.044 2.470) 26.205 2.909 ( -23.581 -13.614 7.459) 28.232 3.490 ( 1.896 1.095 19.509) 19.632 4.001 ( 5.086 2.936 25.660) 26.324 4.048 ( -1.142 -0.659 -1.775) 2.211 4.317 ( 7.435 4.293 -6.862) 10.991 4.374 ( -10.649 -6.148 -3.950) 12.915 4.455 ( 2.577 1.488 -1.798) 3.477 4.485 ( -4.549 -2.626 -0.866) 5.324 4.854 ( 0.877 0.506 0.052) 1.014 4.891 ( 6.167 3.561 0.235) 7.125 5.070 ( 12.341 7.125 -1.221) 14.302 5.282 ( -15.227 -8.791 -4.534) 18.158 5.289 ( 3.467 2.002 -1.353) 4.226 5.502 ( -2.012 -1.162 0.420) 2.361 5.651 ( -5.169 -2.984 1.516) 6.158 5.709 ( -2.324 -1.342 -2.733) 3.830 6.167 ( 7.326 4.229 5.179) 9.919 6.196 ( -4.740 -2.737 -7.582) 9.351 6.404 ( 0.922 0.532 0.868) 1.374 6.442 ( -0.782 -0.452 5.819) 5.889 6.493 ( -1.000 -0.578 -4.802) 4.939 6.574 ( 7.333 4.234 -3.654) 9.222 7.014 ( 1.263 0.729 2.829) 3.183 7.040 ( 0.823 0.475 5.222) 5.308 7.177 ( 8.632 4.984 -3.233) 10.479 7.184 ( 2.692 1.554 -2.975) 4.302 7.287 ( -6.516 -3.762 3.139) 8.153 7.414 ( -0.287 -0.166 -7.026) 7.034 7.479 ( 2.812 1.623 0.424) 3.274 7.777 ( 2.426 1.400 -1.171) 3.036 7.801 ( 2.880 1.663 -0.234) 3.334 8.220 ( 1.341 0.774 -9.264) 9.393 8.413 ( 1.545 0.892 -8.961) 9.137 9.214 ( 1.126 0.650 11.405) 11.479 9.449 ( -3.645 -2.104 5.575) 6.985 9.500 ( -12.478 -7.204 -0.110) 14.409 9.740 ( -4.553 -2.628 4.080) 6.654 9.958 ( -3.112 -1.797 2.701) 4.496 10.318 ( -3.588 -2.072 5.892) 7.203 10.340 ( -4.701 -2.714 -9.278) 10.749 10.537 ( -1.913 -1.105 -8.177) 8.470 10.759 ( 3.146 1.816 -4.261) 5.599 11.262 ( 5.909 3.411 5.809) 8.961 11.340 ( 5.743 3.316 -5.331) 8.509 11.549 ( 12.792 7.385 2.476) 14.977 11.696 ( -5.689 -3.285 2.950) 7.201 12.103 ( -0.067 -0.038 1.112) 1.115 12.214 ( 0.560 0.323 -5.207) 5.247 12.294 ( -0.656 -0.379 1.336) 1.536 12.337 ( 3.285 1.897 1.275) 4.002 12.571 ( 4.557 2.631 2.746) 5.935 12.675 ( -0.856 -0.494 -4.388) 4.498 12.963 ( 6.748 3.896 -2.570) 8.205 14.593 ( 0.199 0.115 3.495) 3.503 15.271 ( 5.873 3.391 -3.222) 7.508 15.319 ( 0.658 0.380 -16.805) 16.822 15.577 ( 9.248 5.340 -4.434) 11.563 16.253 ( -5.020 -2.898 11.052) 12.480 16.923 ( 1.092 0.631 -1.947) 2.320 16.967 ( -11.501 -6.640 10.101) 16.685 17.445 ( -9.790 -5.652 7.179) 13.391 17.910 ( -14.088 -8.134 2.188) 16.414 18.149 ( 0.124 0.071 23.985) 23.985 18.405 ( -8.762 -5.059 -16.827) 19.634 19.321 ( 8.245 4.760 -2.200) 9.771 ======================= 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 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.07e-04 4.07e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( -24.317 -14.040 8.613) 29.370 2.534 ( -28.509 -16.460 10.886) 34.672 3.703 ( 2.578 1.488 9.047) 9.524 3.862 ( -22.580 -13.036 10.003) 27.926 4.143 ( -11.539 -6.662 5.819) 14.540 4.306 ( 1.555 0.898 -8.971) 9.149 4.344 ( 6.053 3.495 15.384) 16.898 4.395 ( -5.253 -3.033 3.570) 7.038 4.536 ( 6.905 3.987 -1.708) 8.154 4.803 ( -4.590 -2.650 -0.336) 5.311 4.959 ( -8.236 -4.755 -7.370) 12.032 4.974 ( 2.834 1.636 -4.431) 5.509 5.266 ( -5.330 -3.077 -3.405) 7.033 5.362 ( 12.561 7.252 -1.067) 14.544 5.409 ( 3.179 1.835 -3.755) 5.251 5.719 ( 6.270 3.620 -3.657) 8.111 5.722 ( 2.596 1.499 7.534) 8.108 6.052 ( -1.758 -1.015 -5.584) 5.942 6.277 ( 5.709 3.296 -4.208) 7.821 6.372 ( -2.532 -1.462 -7.521) 8.070 6.411 ( -0.231 -0.133 -0.819) 0.862 6.576 ( 2.433 1.405 10.522) 10.891 6.645 ( 5.519 3.187 -6.993) 9.462 6.943 ( 0.348 0.201 -9.543) 9.551 7.005 ( -8.086 -4.668 3.758) 10.064 7.197 ( 1.966 1.135 -2.989) 3.753 7.302 ( 6.653 3.841 -2.017) 7.943 7.328 ( 3.415 1.972 4.683) 6.122 7.497 ( 5.018 2.897 7.125) 9.183 7.549 ( 2.782 1.606 5.383) 6.268 7.823 ( 1.380 0.797 -2.585) 3.036 7.845 ( 2.593 1.497 4.790) 5.649 8.163 ( 4.784 2.762 -9.939) 11.371 8.328 ( 2.185 1.261 -12.079) 12.339 9.282 ( -10.559 -6.096 -0.771) 12.217 9.371 ( -1.506 -0.869 16.471) 16.563 9.476 ( 0.750 0.433 3.748) 3.846 9.742 ( -3.421 -1.975 9.184) 9.997 9.925 ( -5.533 -3.195 5.558) 8.469 10.173 ( -1.287 -0.743 -8.444) 8.574 10.310 ( -1.633 -0.943 -2.776) 3.356 10.394 ( -1.283 -0.741 -6.864) 7.022 10.762 ( 3.298 1.904 -6.262) 7.329 11.370 ( 4.293 2.479 -4.965) 7.017 11.406 ( 3.907 2.256 0.476) 4.536 11.560 ( -4.324 -2.497 -0.244) 4.999 11.852 ( 7.068 4.081 9.481) 12.510 12.123 ( -0.465 -0.268 3.430) 3.472 12.149 ( -0.179 -0.104 -6.502) 6.505 12.289 ( -2.230 -1.288 3.731) 4.533 12.432 ( 4.077 2.354 0.869) 4.787 12.582 ( -1.908 -1.102 -7.421) 7.741 12.692 ( 3.587 2.071 5.000) 6.493 13.050 ( 6.954 4.015 -5.135) 9.532 14.687 ( 3.851 2.224 6.652) 8.002 15.138 ( 0.340 0.197 -16.059) 16.064 15.389 ( 7.366 4.253 2.479) 8.859 15.679 ( 5.195 2.999 -1.591) 6.206 16.313 ( 0.141 0.081 7.305) 7.306 16.812 ( -10.083 -5.821 -0.322) 11.647 16.938 ( -4.170 -2.408 7.557) 8.961 17.237 ( -15.036 -8.681 -0.784) 17.380 17.741 ( -7.357 -4.247 1.254) 8.587 18.052 ( -10.776 -6.222 -12.318) 17.510 18.388 ( -2.552 -1.473 22.178) 22.373 19.410 ( 6.516 3.762 -5.836) 9.522 ======================= 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 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.07e-04 4.07e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.291 ( 0.000 -3.353 28.502) 28.698 3.384 ( 0.000 0.421 30.553) 30.556 3.450 ( -0.000 -0.750 -3.805) 3.878 3.631 ( 0.000 0.632 4.353) 4.398 3.717 ( -0.000 4.299 -1.630) 4.598 3.920 ( -0.000 10.233 -2.373) 10.505 4.324 ( -0.000 -2.046 -4.896) 5.307 4.515 ( 0.000 -7.144 3.425) 7.923 4.611 ( -0.000 2.186 -1.464) 2.631 4.623 ( 0.000 -9.678 -11.494) 15.026 4.900 ( 0.000 -6.900 2.882) 7.478 5.039 ( -0.000 14.564 -2.349) 14.753 5.259 ( -0.000 8.642 6.151) 10.607 5.265 ( 0.000 2.900 4.851) 5.652 5.548 ( 0.000 4.880 18.570) 19.200 5.831 ( 0.000 -1.735 6.230) 6.468 5.923 ( -0.000 -1.623 -2.653) 3.110 6.078 ( -0.000 0.807 -5.445) 5.504 6.380 ( 0.000 -10.925 -4.443) 11.793 6.409 ( 0.000 -3.382 -2.104) 3.983 6.574 ( 0.000 -10.668 5.282) 11.904 6.636 ( -0.000 0.220 -7.829) 7.832 6.678 ( 0.000 0.317 6.056) 6.064 6.724 ( -0.000 1.946 -6.387) 6.677 6.815 ( -0.000 4.910 -4.933) 6.960 6.916 ( -0.000 6.756 0.906) 6.816 7.176 ( -0.000 -1.569 -4.513) 4.778 7.337 ( -0.000 7.609 -5.762) 9.544 7.629 ( 0.000 -3.919 1.732) 4.285 7.632 ( 0.000 -4.933 -4.031) 6.370 7.695 ( -0.000 -2.399 -8.103) 8.450 7.714 ( -0.000 -0.220 -2.681) 2.690 8.282 ( 0.000 -5.825 -5.808) 8.226 8.467 ( -0.000 6.725 -5.159) 8.476 9.050 ( 0.000 1.198 4.604) 4.758 9.617 ( 0.000 -9.688 6.289) 11.550 9.839 ( 0.000 -7.806 -1.053) 7.876 9.975 ( 0.000 -9.828 0.968) 9.875 10.015 ( -0.000 5.201 -1.197) 5.337 10.439 ( 0.000 1.559 6.481) 6.666 10.440 ( 0.000 -0.545 5.471) 5.498 10.628 ( -0.000 0.710 0.324) 0.781 10.783 ( 0.000 -0.417 0.938) 1.027 10.960 ( -0.000 6.860 -3.259) 7.594 11.054 ( -0.000 -3.397 -6.614) 7.436 11.195 ( -0.000 8.655 -0.113) 8.656 11.869 ( -0.000 -0.232 -2.929) 2.939 12.009 ( -0.000 5.903 -3.769) 7.003 12.218 ( -0.000 0.264 -1.734) 1.754 12.248 ( -0.000 2.224 -1.368) 2.611 12.309 ( 0.000 0.882 7.522) 7.573 12.458 ( -0.000 -0.477 -8.367) 8.381 12.700 ( 0.000 0.721 2.028) 2.152 12.831 ( -0.000 1.465 -3.933) 4.197 14.684 ( 0.000 -8.340 -0.660) 8.366 15.041 ( -0.000 14.046 -4.797) 14.842 15.434 ( -0.000 1.296 -10.947) 11.023 15.440 ( -0.000 0.341 -13.319) 13.323 16.341 ( 0.000 -3.045 11.696) 12.086 16.902 ( 0.000 -3.818 -0.644) 3.872 17.129 ( 0.000 -3.416 11.140) 11.652 17.533 ( 0.000 -5.733 19.208) 20.045 17.782 ( 0.000 8.402 23.472) 24.930 18.492 ( 0.000 -15.239 3.388) 15.611 18.812 ( -0.000 -2.207 -17.012) 17.154 18.937 ( -0.000 11.183 2.616) 11.485 ======================= 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 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.07e-04 4.07e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.353 ( -20.335 -0.787 1.147) 20.383 3.390 ( -10.204 -1.307 3.845) 10.982 3.491 ( -0.734 -7.413 17.370) 18.900 3.814 ( 5.865 1.806 25.612) 26.337 3.975 ( 12.083 5.314 -4.380) 13.908 4.011 ( 5.518 3.652 4.119) 7.795 4.246 ( 0.568 2.318 -1.640) 2.896 4.484 ( 4.175 -8.788 -5.606) 11.229 4.590 ( 8.247 -4.073 6.501) 11.264 4.622 ( -2.888 4.573 3.408) 6.393 4.836 ( 1.491 -5.408 -3.697) 6.719 5.152 ( 3.068 8.369 0.075) 8.914 5.203 ( -11.318 7.588 -1.649) 13.726 5.427 ( 4.976 0.109 2.857) 5.739 5.666 ( -9.181 -5.126 -4.084) 11.281 5.769 ( -1.666 0.633 1.098) 2.093 5.927 ( -4.686 -2.604 -2.282) 5.826 6.046 ( 4.544 5.189 -2.427) 7.312 6.234 ( -0.394 -6.933 2.175) 7.277 6.424 ( -6.657 -2.912 -2.750) 7.769 6.435 ( 0.352 -3.328 -4.394) 5.524 6.518 ( -3.289 -8.761 5.796) 11.008 6.625 ( -5.717 7.963 -4.513) 10.792 6.825 ( 8.663 1.881 1.239) 8.951 6.877 ( 9.469 2.544 -2.872) 10.217 7.052 ( 0.887 8.153 7.167) 10.892 7.166 ( -0.505 1.655 2.145) 2.756 7.385 ( 2.781 4.862 1.215) 5.732 7.477 ( -2.419 -5.215 -12.805) 14.036 7.490 ( -5.220 -3.825 -3.833) 7.521 7.693 ( 3.056 -3.269 1.474) 4.711 7.710 ( 2.677 -2.642 -0.417) 3.784 8.166 ( 1.970 -3.690 -10.045) 10.881 8.420 ( -1.085 6.940 -11.294) 13.300 9.167 ( 1.323 1.009 12.402) 12.513 9.581 ( -3.999 -10.136 7.654) 13.316 9.790 ( 0.185 -8.990 3.439) 9.627 9.824 ( -8.644 -9.938 -0.834) 13.198 10.040 ( -2.099 3.667 2.207) 4.766 10.424 ( -3.426 -2.413 -0.157) 4.193 10.470 ( -3.094 0.132 -2.659) 4.082 10.581 ( -0.880 0.514 -8.331) 8.394 10.761 ( -3.972 3.556 -0.740) 5.382 11.024 ( 7.918 -3.351 -2.147) 8.862 11.090 ( 12.232 5.235 -0.241) 13.308 11.308 ( 2.781 9.644 3.046) 10.489 11.831 ( -3.515 1.925 0.130) 4.010 12.054 ( 2.965 5.141 -0.955) 6.011 12.201 ( 0.155 1.412 -3.304) 3.597 12.253 ( 0.816 2.242 -1.057) 2.609 12.339 ( -0.426 0.090 -1.753) 1.806 12.470 ( 1.964 1.421 6.536) 6.971 12.690 ( -0.233 -1.377 -3.353) 3.632 12.831 ( 2.485 4.376 -2.765) 5.742 14.626 ( -1.621 -4.759 2.955) 5.831 15.130 ( 3.930 10.507 -4.111) 11.948 15.297 ( 0.781 0.575 -14.259) 14.292 15.368 ( 3.795 5.455 -8.277) 10.615 16.409 ( -4.182 -4.251 11.127) 12.624 16.870 ( 1.662 -3.516 -2.144) 4.441 17.202 ( -4.496 -6.381 13.768) 15.826 17.648 ( -4.651 -6.409 15.066) 17.020 18.095 ( 2.182 2.585 18.680) 18.984 18.306 ( -11.252 -12.889 0.342) 17.113 18.590 ( -3.687 -0.222 -14.342) 14.810 19.080 ( 7.611 7.161 -1.928) 10.627 ======================= 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 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.07e-04 4.07e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.048 ( -24.950 -1.853 4.047) 25.344 3.239 ( -20.316 -7.010 10.396) 23.874 3.587 ( 6.191 -11.119 6.365) 14.229 3.914 ( 2.913 -12.587 -2.708) 13.200 4.146 ( 4.997 0.079 11.461) 12.504 4.237 ( 7.169 13.878 -2.831) 15.875 4.338 ( 4.339 1.748 5.259) 7.039 4.462 ( 0.986 -3.353 3.748) 5.125 4.671 ( -7.760 6.342 9.633) 13.901 4.747 ( 5.787 -0.410 0.967) 5.882 4.877 ( 12.577 0.615 1.790) 12.718 5.068 ( -8.381 7.136 -6.051) 12.561 5.207 ( 3.006 -3.400 -4.987) 6.743 5.361 ( -13.629 -2.661 -5.741) 15.027 5.499 ( -0.645 -1.607 -2.070) 2.699 5.640 ( -1.975 -5.434 -3.180) 6.599 5.796 ( -8.424 -0.362 1.357) 8.541 6.139 ( 3.532 3.462 -3.019) 5.795 6.186 ( -5.280 -1.127 -4.324) 6.917 6.270 ( 4.010 -6.618 -2.339) 8.084 6.473 ( 2.420 -0.182 0.434) 2.465 6.531 ( 1.850 -2.159 5.891) 6.541 6.572 ( -5.293 7.421 -2.525) 9.458 6.953 ( 4.051 -1.811 -2.820) 5.258 6.995 ( 9.018 1.959 -1.066) 9.290 7.146 ( 0.624 1.576 -6.997) 7.199 7.179 ( -1.482 4.977 5.156) 7.318 7.353 ( -4.581 -3.602 -0.106) 5.829 7.401 ( 1.603 3.071 6.562) 7.420 7.499 ( 1.692 0.963 7.079) 7.342 7.736 ( 4.213 -1.197 0.306) 4.391 7.744 ( 4.808 0.219 0.631) 4.854 8.052 ( 3.203 -0.905 -12.863) 13.287 8.305 ( -0.796 6.367 -15.414) 16.697 9.354 ( 1.457 -0.491 14.868) 14.948 9.542 ( -4.766 -8.531 8.725) 13.101 9.600 ( -10.251 -7.323 -0.437) 12.605 9.786 ( -0.107 -7.912 7.673) 11.023 10.067 ( -4.053 2.512 5.547) 7.315 10.259 ( -4.748 -4.222 -10.562) 12.325 10.387 ( -3.021 0.045 -7.907) 8.465 10.452 ( -1.852 0.650 -7.711) 7.957 10.736 ( -2.983 4.561 -0.941) 5.531 11.097 ( 11.535 -5.754 -4.279) 13.582 11.313 ( 8.002 6.137 4.118) 10.893 11.467 ( 6.682 8.355 -1.128) 10.758 11.821 ( -3.598 0.222 6.793) 7.690 12.126 ( 1.277 3.589 0.327) 3.823 12.161 ( -0.786 2.171 -4.141) 4.741 12.301 ( 3.713 2.261 1.191) 4.507 12.329 ( -0.230 0.346 0.435) 0.601 12.597 ( 2.499 2.136 6.824) 7.575 12.617 ( -0.524 -0.593 -6.291) 6.341 12.883 ( 4.533 4.470 -3.657) 7.342 14.641 ( 0.075 -1.992 6.436) 6.738 15.128 ( 0.319 0.097 -14.246) 14.249 15.234 ( 3.522 8.631 -1.473) 9.437 15.442 ( 9.140 9.275 -6.477) 14.544 16.425 ( -5.792 -5.128 11.183) 13.598 16.832 ( 1.847 -3.032 -5.226) 6.318 17.215 ( -8.610 -9.046 15.898) 20.217 17.620 ( -10.583 -6.447 5.865) 13.710 18.021 ( -12.392 -11.123 -1.408) 16.711 18.171 ( 0.548 -12.434 -7.180) 14.369 18.528 ( -5.970 10.253 12.535) 17.259 19.193 ( 8.688 4.208 -6.065) 11.401 ======================= 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 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.07e-04 4.07e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.751 ( -25.964 -3.065 9.631) 27.862 2.953 ( -28.339 -10.674 11.917) 32.543 3.638 ( 11.199 -14.754 -0.763) 18.538 3.795 ( 6.585 -21.343 -5.616) 23.031 4.223 ( -5.448 0.493 2.906) 6.195 4.360 ( 2.025 17.121 -7.866) 18.950 4.410 ( -5.159 -9.042 17.964) 20.762 4.561 ( -0.074 7.048 5.578) 8.989 4.724 ( -12.042 8.419 12.742) 19.448 4.829 ( 4.149 0.508 -4.684) 6.277 4.902 ( -4.053 -1.864 -6.796) 8.129 4.952 ( -4.847 -0.783 -5.052) 7.045 5.198 ( 13.811 3.901 -1.186) 14.400 5.219 ( -0.847 -3.019 -6.549) 7.261 5.390 ( -5.391 1.539 -1.724) 5.866 5.652 ( 1.421 -8.825 6.578) 11.098 5.769 ( 2.241 1.104 2.193) 3.324 6.080 ( -4.781 4.571 -1.688) 6.827 6.127 ( 5.231 -4.190 -7.625) 10.152 6.265 ( 2.320 -1.880 -2.650) 3.992 6.498 ( -2.820 2.479 -2.228) 4.366 6.515 ( 0.191 4.328 -2.613) 5.059 6.662 ( 3.964 -0.642 8.076) 9.019 6.788 ( 0.524 -4.851 -11.732) 12.706 7.114 ( -3.178 -2.082 2.897) 4.778 7.149 ( 0.355 2.673 -3.978) 4.806 7.219 ( 5.035 3.028 0.096) 5.876 7.328 ( 2.963 -0.673 1.485) 3.383 7.567 ( 0.943 2.704 7.698) 8.214 7.622 ( 2.160 5.843 8.414) 10.469 7.758 ( 3.284 -0.840 -2.633) 4.292 7.902 ( 4.486 2.624 11.078) 12.237 7.975 ( 6.307 2.892 -12.357) 14.172 8.170 ( 1.206 5.497 -16.516) 17.449 9.362 ( -10.348 -6.016 -1.931) 12.124 9.458 ( 1.450 -4.576 4.201) 6.379 9.625 ( -4.073 -2.014 16.938) 17.537 9.836 ( 0.442 -6.972 10.863) 12.916 10.062 ( -6.149 -0.295 -0.403) 6.170 10.078 ( -0.293 -3.090 -6.635) 7.325 10.213 ( -2.478 2.495 -10.153) 10.745 10.401 ( -0.411 0.954 -2.364) 2.582 10.724 ( -2.530 4.310 -0.862) 5.071 11.141 ( 10.650 -7.141 -5.766) 14.059 11.448 ( -0.325 8.047 -1.514) 8.194 11.561 ( 3.581 2.812 -1.234) 4.718 11.917 ( 2.308 -1.722 11.435) 11.792 12.075 ( -0.409 -0.251 -6.881) 6.898 12.198 ( -1.407 3.970 3.612) 5.548 12.339 ( 0.137 0.230 0.753) 0.799 12.401 ( 3.658 1.515 3.126) 5.045 12.517 ( -1.416 0.622 -7.946) 8.095 12.736 ( 2.635 2.776 7.047) 8.019 12.928 ( 5.269 3.583 -6.480) 9.089 14.741 ( 2.453 0.372 8.841) 9.183 14.964 ( 0.239 -0.191 -13.527) 13.530 15.394 ( 6.078 10.022 4.401) 12.520 15.581 ( 9.269 9.256 -5.511) 14.211 16.429 ( -5.173 -4.850 9.750) 12.056 16.731 ( -0.469 -5.323 -9.079) 10.535 17.200 ( -10.323 -8.725 17.977) 22.491 17.376 ( -16.121 -5.713 -5.265) 17.896 17.786 ( -8.250 -7.884 -2.698) 11.726 17.947 ( -2.713 -13.907 -5.787) 15.306 18.708 ( -5.606 6.986 17.440) 19.606 19.248 ( 8.233 2.398 -9.258) 12.620 ======================= 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 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.07e-04 4.07e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.400 ( 0.000 -7.447 -4.612) 8.760 3.585 ( -0.000 -4.879 12.814) 13.711 3.635 ( 0.000 6.894 -4.161) 8.052 3.810 ( 0.000 4.544 4.098) 6.119 3.944 ( -0.000 -7.363 -0.042) 7.363 4.148 ( 0.000 2.669 16.350) 16.567 4.278 ( 0.000 -8.297 5.457) 9.931 4.386 ( -0.000 2.631 10.929) 11.241 4.581 ( 0.000 -2.493 5.932) 6.434 4.732 ( 0.000 0.847 -6.402) 6.458 4.767 ( -0.000 5.150 10.267) 11.486 5.154 ( 0.000 -1.586 -4.497) 4.768 5.336 ( -0.001 -0.899 0.466) 1.013 5.344 ( 0.001 0.697 -5.203) 5.249 5.613 ( 0.000 -4.848 -14.610) 15.394 5.756 ( 0.000 7.209 -7.888) 10.686 5.929 ( 0.000 0.617 0.810) 1.018 5.974 ( 0.000 1.457 -2.779) 3.138 6.266 ( -0.000 -0.987 -1.274) 1.611 6.364 ( 0.000 -2.173 0.785) 2.311 6.415 ( 0.000 -5.423 -5.147) 7.476 6.555 ( 0.000 -10.451 10.298) 14.673 6.643 ( 0.000 -0.243 -8.721) 8.725 6.754 ( -0.000 7.115 3.535) 7.945 6.888 ( 0.000 7.855 4.960) 9.290 7.179 ( 0.000 -4.305 -8.415) 9.453 7.208 ( 0.000 9.614 5.973) 11.319 7.374 ( 0.000 -0.320 4.934) 4.944 7.422 ( -0.000 -2.278 -2.856) 3.653 7.466 ( 0.000 4.979 4.786) 6.907 7.652 ( -0.000 -5.306 0.221) 5.311 7.672 ( -0.000 -4.956 3.861) 6.282 8.001 ( 0.000 -0.982 -12.959) 12.996 8.327 ( 0.000 7.424 -16.565) 18.153 9.331 ( 0.000 -1.053 16.486) 16.519 9.612 ( -0.000 -11.604 10.052) 15.353 9.769 ( 0.000 -10.685 2.640) 11.007 9.791 ( 0.000 -8.794 2.400) 9.116 10.124 ( 0.000 3.381 5.359) 6.337 10.367 ( 0.000 -2.739 -8.851) 9.265 10.445 ( 0.000 -0.418 -7.681) 7.692 10.453 ( 0.000 0.688 -15.544) 15.559 10.861 ( -0.000 -1.895 -0.775) 2.047 10.925 ( -0.000 3.984 2.373) 4.637 11.045 ( 0.000 6.204 3.352) 7.052 11.392 ( 0.000 8.466 2.142) 8.733 11.885 ( 0.000 2.720 1.709) 3.212 12.088 ( 0.000 5.958 2.321) 6.394 12.179 ( 0.000 2.581 -4.324) 5.036 12.245 ( 0.000 3.947 -2.948) 4.926 12.328 ( 0.000 -0.712 1.356) 1.531 12.569 ( -0.000 2.243 8.748) 9.031 12.621 ( 0.000 -1.781 -6.359) 6.603 12.819 ( -0.000 4.869 -3.311) 5.888 14.647 ( 0.000 -4.419 6.019) 7.467 15.142 ( 0.000 0.649 -13.491) 13.507 15.168 ( -0.000 11.949 -1.552) 12.050 15.302 ( 0.000 8.389 -7.431) 11.207 16.524 ( 0.000 -3.905 9.847) 10.593 16.795 ( 0.000 -5.336 -2.744) 6.000 17.333 ( 0.000 -10.056 15.151) 18.184 17.783 ( 0.000 -9.476 13.292) 16.323 18.116 ( -0.000 -8.829 -8.466) 12.232 18.269 ( 0.000 -13.300 -1.998) 13.450 18.619 ( 0.000 10.415 8.100) 13.194 19.031 ( 0.000 6.215 -6.707) 9.144 ======================= 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 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.07e-04 4.07e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.276 ( 6.920 -14.528 -8.013) 17.976 3.427 ( -19.470 1.739 1.292) 19.590 3.652 ( -12.708 -5.075 11.497) 17.872 3.692 ( -5.154 -17.958 -3.764) 19.058 4.120 ( 13.578 6.142 0.486) 14.910 4.225 ( 5.657 5.974 -2.085) 8.488 4.467 ( 0.360 -4.850 23.259) 23.762 4.527 ( 1.027 5.704 8.861) 10.588 4.705 ( 5.107 4.424 -4.630) 8.191 4.733 ( 5.465 3.210 2.923) 6.979 4.926 ( -2.655 3.937 13.204) 14.032 4.999 ( 0.361 -8.861 -11.762) 14.730 5.176 ( -7.815 0.105 -4.478) 9.008 5.343 ( -3.151 -6.309 -17.580) 18.941 5.435 ( 8.690 -2.891 1.081) 9.222 5.660 ( -10.531 7.416 -3.293) 13.294 5.943 ( -6.012 1.727 4.191) 7.529 6.030 ( 6.962 3.373 -6.457) 10.077 6.143 ( -1.235 -8.952 -3.839) 9.819 6.248 ( -7.193 -2.514 -2.921) 8.161 6.437 ( 6.180 -0.103 1.862) 6.455 6.574 ( 1.633 -3.465 -2.165) 4.400 6.591 ( -1.651 -4.143 7.437) 8.672 6.905 ( -6.522 -0.824 -8.418) 10.680 6.931 ( 5.741 5.414 5.767) 9.774 7.061 ( 4.154 5.816 -3.294) 7.870 7.283 ( -1.431 1.681 1.137) 2.483 7.344 ( -1.735 -0.775 -3.746) 4.200 7.541 ( 1.453 5.188 14.357) 15.334 7.611 ( -1.228 0.381 9.029) 9.120 7.649 ( 2.515 -1.986 0.179) 3.210 7.736 ( 5.950 1.260 9.673) 11.426 7.864 ( 1.913 2.048 -14.080) 14.356 8.177 ( -0.770 7.071 -18.640) 19.951 9.444 ( -0.008 -8.590 8.121) 11.821 9.618 ( -6.518 -8.046 -2.289) 10.605 9.703 ( -0.943 -4.350 18.832) 19.351 9.813 ( 0.715 -8.269 8.724) 12.042 10.171 ( -5.518 -3.429 -11.762) 13.437 10.198 ( -3.507 1.780 0.800) 4.014 10.260 ( -0.599 2.022 -11.823) 12.009 10.365 ( 2.987 -0.581 -9.075) 9.571 10.845 ( 5.916 -3.861 -3.026) 7.685 10.923 ( -8.279 5.628 3.007) 10.452 11.271 ( 11.722 4.791 6.244) 14.118 11.476 ( 0.945 8.208 -1.137) 8.340 11.928 ( -1.171 0.927 5.462) 5.663 12.108 ( -2.157 2.056 -6.413) 7.071 12.195 ( 2.455 5.020 2.546) 6.141 12.264 ( 2.117 4.123 -2.657) 5.342 12.363 ( 0.258 -0.669 5.476) 5.523 12.531 ( 0.032 -0.562 -7.516) 7.537 12.689 ( 0.639 3.289 7.887) 8.569 12.823 ( 2.091 4.157 -5.118) 6.917 14.705 ( 0.537 -2.730 9.143) 9.557 14.988 ( -1.512 1.139 -13.034) 13.171 15.279 ( 2.326 11.744 1.772) 12.103 15.343 ( 5.748 10.898 -6.267) 13.824 16.573 ( -3.835 -4.311 9.770) 11.347 16.717 ( 1.009 -5.796 -5.377) 7.970 17.385 ( -3.018 -13.448 14.954) 20.336 17.732 ( -9.635 -9.223 -2.351) 13.543 17.924 ( 3.580 -13.860 -6.026) 15.532 18.078 ( -8.965 -10.243 -2.884) 13.915 18.827 ( -2.478 10.632 14.108) 17.839 19.019 ( 6.712 3.116 -10.747) 13.049 ======================= 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 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.07e-04 4.07e-04 Number of triplets: 134 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.196 ( 11.264 -17.909 -6.655) 22.179 3.196 ( -21.141 0.800 6.656) 22.179 3.430 ( 2.678 -24.770 -9.170) 26.548 3.430 ( -22.790 -10.065 9.170) 26.548 4.328 ( 4.261 5.587 -5.538) 8.946 4.328 ( 2.708 6.483 5.538) 8.946 4.634 ( 0.505 -2.072 -13.870) 14.033 4.634 ( -2.047 -0.599 13.870) 14.033 4.743 ( 7.371 3.616 -5.388) 9.821 4.743 ( -0.554 8.192 5.388) 9.821 5.003 ( -4.391 5.079 -4.269) 7.956 5.003 ( 6.594 -1.263 4.269) 7.956 5.101 ( -1.295 -2.275 -10.469) 10.791 5.101 ( -1.323 -2.259 10.469) 10.791 5.539 ( -2.743 -0.155 -1.944) 3.365 5.539 ( 1.237 -2.453 1.944) 3.365 5.895 ( 2.275 -10.530 -9.356) 14.268 5.895 ( -10.256 -3.295 9.356) 14.268 6.182 ( 5.819 0.467 -1.096) 5.939 6.182 ( -2.505 5.273 1.096) 5.939 6.536 ( 0.749 0.376 -5.580) 5.642 6.536 ( -0.049 0.837 5.580) 5.642 6.670 ( -6.757 1.675 -10.157) 12.314 6.670 ( 4.829 -5.015 10.157) 12.314 7.120 ( -0.048 5.939 -4.393) 7.387 7.120 ( 5.167 2.928 4.393) 7.387 7.270 ( -0.157 -2.862 -2.024) 3.509 7.270 ( -2.400 -1.567 2.024) 3.509 7.661 ( 3.303 0.217 -4.037) 5.220 7.661 ( -1.464 2.969 4.037) 5.220 7.779 ( 4.881 5.124 -13.072) 14.864 7.779 ( 1.997 6.789 13.072) 14.864 8.017 ( -0.322 6.798 -17.367) 18.653 8.017 ( 6.048 3.120 17.367) 18.653 9.425 ( -8.672 -4.506 -3.139) 10.265 9.425 ( 0.434 -9.763 3.139) 10.265 9.828 ( 1.964 -6.970 -4.142) 8.343 9.828 ( -7.018 -1.785 4.142) 8.343 10.015 ( -4.600 -0.391 -5.937) 7.521 10.015 ( 1.962 -4.179 5.937) 7.521 10.312 ( 3.819 -0.262 -7.836) 8.721 10.312 ( -2.136 3.176 7.836) 8.721 10.884 ( 8.808 -4.466 -5.326) 11.220 10.884 ( -8.271 5.395 5.327) 11.220 11.504 ( -0.390 7.231 -5.076) 8.843 11.504 ( 6.457 3.278 5.076) 8.843 12.000 ( -1.437 -0.351 -8.421) 8.550 12.000 ( 0.414 -1.420 8.421) 8.550 12.287 ( 3.186 1.440 -3.739) 5.119 12.287 ( -0.345 3.479 3.739) 5.119 12.449 ( -0.151 1.535 -7.345) 7.505 12.449 ( 1.405 0.637 7.345) 7.505 12.820 ( 3.024 3.282 -7.410) 8.650 12.820 ( 1.331 4.260 7.410) 8.650 14.830 ( -1.893 1.431 -12.192) 12.421 14.830 ( 2.186 -0.924 12.192) 12.421 15.469 ( 8.903 10.884 -5.673) 15.163 15.469 ( 4.974 13.153 5.673) 15.163 16.582 ( -1.362 -7.303 -9.957) 12.423 16.582 ( -5.643 -4.831 9.957) 12.423 17.401 ( -9.979 -8.586 -14.571) 19.637 17.401 ( -2.446 -12.936 14.571) 19.637 17.825 ( -10.418 -9.217 -2.597) 14.150 17.825 ( -2.773 -13.631 2.597) 14.150 19.012 ( 9.506 0.621 -13.111) 16.206 19.012 ( -4.215 8.543 13.111) 16.206 ======================= 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 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.07e-04 4.07e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.971 ( 0.000 -19.897 -10.653) 22.570 3.278 ( 0.000 -25.645 -11.358) 28.048 3.831 ( 0.000 -0.241 0.741) 0.779 3.956 ( 0.000 2.385 12.918) 13.136 4.010 ( -0.000 10.655 1.055) 10.707 4.151 ( 0.000 -2.934 2.370) 3.772 4.536 ( -0.000 0.431 -0.264) 0.505 4.690 ( 0.000 -4.581 3.050) 5.503 4.713 ( -0.000 6.465 8.598) 10.758 4.763 ( -0.000 -8.804 -13.927) 16.477 4.811 ( -0.000 7.767 6.913) 10.398 5.076 ( -0.000 -8.414 -16.619) 18.628 5.118 ( 0.000 1.534 12.470) 12.564 5.189 ( -0.000 0.381 -4.120) 4.138 5.348 ( 0.000 -2.877 2.654) 3.914 5.793 ( -0.000 9.661 -5.721) 11.227 5.882 ( -0.000 -4.018 -12.186) 12.831 6.020 ( 0.000 -8.762 1.356) 8.866 6.068 ( -0.000 4.563 5.457) 7.113 6.302 ( 0.000 -3.688 2.289) 4.340 6.371 ( 0.000 -0.210 1.970) 1.981 6.499 ( -0.000 0.677 -1.935) 2.050 6.701 ( 0.000 -5.038 13.241) 14.167 6.815 ( -0.000 -2.015 -11.581) 11.755 7.032 ( -0.000 7.201 5.934) 9.331 7.100 ( -0.000 9.741 0.772) 9.771 7.237 ( 0.000 -5.481 -2.855) 6.180 7.350 ( -0.000 1.966 -1.863) 2.708 7.602 ( -0.000 0.892 -1.140) 1.448 7.655 ( -0.000 -1.627 -4.708) 4.981 7.733 ( -0.000 4.246 3.808) 5.704 7.783 ( -0.000 5.935 6.698) 8.949 7.890 ( 0.000 4.863 17.498) 18.161 8.032 ( -0.000 7.029 -16.544) 17.976 9.425 ( 0.000 -12.253 4.340) 12.999 9.568 ( 0.000 -5.242 -4.244) 6.745 9.794 ( 0.000 -7.407 -2.661) 7.871 9.925 ( 0.000 -2.803 21.912) 22.090 10.056 ( -0.000 -3.126 -12.858) 13.232 10.100 ( -0.000 0.587 -8.334) 8.354 10.205 ( -0.000 -2.159 -9.291) 9.539 10.334 ( 0.000 2.253 7.008) 7.361 10.713 ( -0.000 -2.689 -4.021) 4.837 11.154 ( -0.000 6.297 6.136) 8.792 11.255 ( 0.000 4.323 6.441) 7.757 11.521 ( -0.000 7.197 -1.296) 7.312 12.002 ( 0.000 0.744 5.589) 5.638 12.055 ( -0.000 1.657 -9.927) 10.064 12.186 ( -0.000 2.281 -2.253) 3.206 12.301 ( -0.000 5.126 2.108) 5.543 12.428 ( 0.000 -1.415 7.777) 7.905 12.447 ( -0.000 0.568 -6.896) 6.919 12.775 ( -0.000 3.678 -6.474) 7.446 12.802 ( 0.000 4.981 7.151) 8.715 14.781 ( 0.000 -2.102 6.358) 6.697 14.894 ( -0.000 2.226 -5.966) 6.368 15.321 ( -0.000 11.442 -5.405) 12.654 15.400 ( -0.000 12.915 4.180) 13.574 16.588 ( 0.000 -7.476 -6.885) 10.164 16.680 ( 0.000 -2.652 9.027) 9.409 17.418 ( 0.000 -17.659 10.074) 20.330 17.548 ( 0.000 -14.029 -19.407) 23.947 17.834 ( 0.000 -11.696 6.899) 13.579 18.061 ( 0.000 -8.614 0.841) 8.655 18.835 ( -0.000 1.164 -15.581) 15.624 19.072 ( -0.000 9.719 11.907) 15.370 ======================= 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 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.07e-04 4.07e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.426 ( -0.000 0.000 -1.221) 1.221 3.631 ( -0.000 0.000 -9.594) 9.594 3.661 ( 0.000 -0.000 21.313) 21.313 3.661 ( 0.000 0.000 21.313) 21.313 3.763 ( 0.000 -0.000 8.599) 8.599 3.763 ( 0.000 0.000 8.599) 8.599 4.337 ( 0.000 -0.000 2.035) 2.035 4.575 ( 0.000 -0.000 0.709) 0.709 4.575 ( 0.000 -0.000 0.709) 0.709 4.783 ( 0.000 -0.000 0.972) 0.972 4.783 ( 0.000 0.000 0.972) 0.972 5.058 ( 0.000 -0.000 2.199) 2.199 5.224 ( 0.000 -0.000 0.796) 0.796 5.224 ( 0.000 0.000 0.796) 0.796 5.709 ( 0.000 -0.000 15.149) 15.149 5.877 ( -0.000 0.000 -5.870) 5.870 5.877 ( -0.000 0.000 -5.870) 5.870 6.001 ( -0.000 0.000 -6.166) 6.166 6.436 ( -0.000 -0.000 -3.282) 3.282 6.436 ( -0.000 0.000 -3.282) 3.282 6.510 ( -0.000 0.000 -3.937) 3.937 6.658 ( -0.000 -0.000 -7.872) 7.872 6.658 ( -0.000 0.000 -7.872) 7.872 6.721 ( 0.000 -0.000 1.916) 1.916 6.821 ( 0.000 -0.000 7.005) 7.005 6.821 ( 0.000 0.000 7.005) 7.005 7.218 ( 0.000 -0.000 3.041) 3.041 7.218 ( -0.000 0.000 3.041) 3.041 7.558 ( -0.000 0.000 -11.202) 11.202 7.558 ( -0.000 0.000 -11.202) 11.202 7.744 ( 0.000 -0.000 2.973) 2.973 7.744 ( 0.000 -0.000 4.223) 4.223 8.269 ( -0.000 0.000 -11.931) 11.931 8.269 ( -0.000 0.000 -11.931) 11.931 9.144 ( 0.000 -0.000 13.488) 13.488 9.792 ( 0.000 -0.000 8.186) 8.186 9.943 ( 0.000 0.000 2.828) 2.828 9.943 ( -0.000 0.000 2.828) 2.828 10.064 ( -0.000 0.000 -1.484) 1.484 10.478 ( 0.000 -0.000 0.392) 0.392 10.478 ( 0.000 0.000 0.392) 0.392 10.580 ( -0.000 0.000 -7.954) 7.954 10.822 ( 0.000 -0.000 -1.272) 1.272 10.822 ( 0.000 0.000 -1.272) 1.272 11.068 ( 0.000 0.000 -1.496) 1.496 11.068 ( 0.000 0.000 -1.496) 1.496 11.894 ( 0.000 -0.000 -0.419) 0.419 11.894 ( -0.000 0.000 -0.419) 0.419 12.195 ( -0.000 -0.000 -3.098) 3.098 12.195 ( -0.000 0.000 -3.098) 3.098 12.344 ( -0.000 0.000 -1.223) 1.223 12.446 ( 0.000 -0.000 6.475) 6.475 12.703 ( -0.000 0.000 -0.730) 0.730 12.766 ( -0.000 0.000 -5.003) 5.003 14.825 ( 0.000 -0.000 0.002) 0.002 14.825 ( -0.000 0.000 0.002) 0.002 15.289 ( -0.000 0.000 -12.175) 12.175 15.289 ( -0.000 0.000 -12.175) 12.175 16.493 ( 0.000 -0.000 10.157) 10.157 16.893 ( -0.000 0.000 -3.308) 3.308 17.317 ( 0.000 -0.000 15.611) 15.611 17.902 ( 0.000 -0.000 21.744) 21.744 17.902 ( 0.000 0.000 21.744) 21.744 18.628 ( -0.000 0.000 -18.678) 18.678 18.743 ( 0.000 -0.000 -0.904) 0.904 18.743 ( 0.000 0.000 -0.904) 0.904 ======================= 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 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.07e-04 4.07e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.422 ( -12.401 -7.160 -0.696) 14.336 3.431 ( 0.139 0.080 1.940) 1.946 3.779 ( -4.904 -2.832 11.321) 12.658 3.837 ( 9.154 5.285 -0.181) 10.572 3.941 ( 10.126 5.846 7.806) 14.059 4.004 ( 2.609 1.506 5.987) 6.702 4.316 ( -6.897 -3.982 9.903) 12.708 4.569 ( -1.587 -0.916 5.564) 5.858 4.646 ( -1.516 -0.875 10.318) 10.465 4.747 ( 2.131 1.230 6.674) 7.113 4.914 ( -4.215 -2.434 -2.504) 5.474 5.037 ( 8.122 4.689 -0.284) 9.383 5.098 ( -7.670 -4.428 0.160) 8.858 5.407 ( 8.605 4.968 0.485) 9.948 5.650 ( -8.963 -5.175 -13.336) 16.881 5.733 ( -2.525 -1.458 -10.587) 10.981 5.917 ( 8.048 4.646 -2.596) 9.649 5.927 ( -1.788 -1.032 -4.260) 4.733 6.367 ( -2.038 -1.177 4.108) 4.734 6.424 ( -0.196 -0.113 -3.706) 3.713 6.444 ( -8.989 -5.190 -5.739) 11.860 6.498 ( -0.691 -0.399 0.168) 0.816 6.707 ( -5.548 -3.203 7.331) 9.736 6.719 ( 9.656 5.575 -5.359) 12.371 6.845 ( 3.464 2.000 2.209) 4.569 7.027 ( 5.238 3.024 7.715) 9.804 7.216 ( -3.391 -1.958 3.043) 4.959 7.383 ( 5.619 3.244 6.981) 9.531 7.415 ( -2.287 -1.320 -5.054) 5.702 7.449 ( -0.540 -0.312 -4.939) 4.978 7.752 ( -2.441 -1.409 2.003) 3.458 7.753 ( -1.254 -0.724 1.200) 1.880 8.068 ( -0.740 -0.427 -14.923) 14.948 8.176 ( 3.315 1.914 -16.417) 16.858 9.338 ( 0.522 0.301 19.042) 19.052 9.803 ( -7.604 -4.390 9.297) 12.788 9.933 ( -9.498 -5.484 -3.352) 11.468 9.944 ( -3.062 -1.768 6.457) 7.362 10.039 ( 1.095 0.632 5.755) 5.892 10.397 ( -3.277 -1.892 -9.605) 10.323 10.433 ( -1.589 -0.917 -10.792) 10.947 10.454 ( 0.404 0.233 -9.340) 9.352 10.745 ( -3.933 -2.271 2.634) 5.250 11.002 ( 11.444 6.607 4.311) 13.899 11.051 ( 4.492 2.593 -3.665) 6.351 11.153 ( 6.887 3.976 -1.481) 8.089 11.863 ( -1.830 -1.057 4.567) 5.032 11.988 ( 4.866 2.810 1.904) 5.933 12.140 ( -0.160 -0.092 -5.020) 5.023 12.194 ( 3.128 1.806 -3.457) 5.000 12.338 ( -0.372 -0.215 1.738) 1.790 12.542 ( 0.835 0.482 7.984) 8.042 12.647 ( -0.829 -0.478 -7.110) 7.174 12.755 ( 2.607 1.505 -2.006) 3.617 14.734 ( -4.636 -2.676 4.574) 7.041 14.979 ( 8.113 4.684 0.201) 9.370 15.140 ( -0.547 -0.316 -12.809) 12.824 15.208 ( 4.169 2.407 -8.861) 10.084 16.571 ( -2.918 -1.685 8.904) 9.520 16.850 ( -0.058 -0.034 -4.127) 4.127 17.463 ( -4.891 -2.824 17.827) 18.700 17.941 ( -11.312 -6.531 14.838) 19.768 18.281 ( 6.608 3.815 20.661) 22.025 18.401 ( -2.306 -1.331 -16.986) 17.193 18.467 ( -13.852 -7.998 -4.647) 16.656 18.922 ( 11.065 6.388 -5.562) 13.935 ======================= 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 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.07e-04 4.07e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.187 ( -15.687 -9.057 5.062) 18.808 3.443 ( -6.884 -3.975 7.684) 11.056 3.814 ( -1.364 -0.787 5.045) 5.285 3.964 ( -2.619 -1.512 -2.043) 3.650 3.974 ( 8.799 5.080 -7.119) 12.406 4.154 ( 5.031 2.905 0.642) 5.845 4.423 ( 3.507 2.025 10.824) 11.557 4.630 ( 0.130 0.075 6.538) 6.540 4.726 ( -5.808 -3.353 14.859) 16.302 4.768 ( -1.251 -0.722 -9.062) 9.176 4.855 ( 2.740 1.582 -2.878) 4.277 5.040 ( -4.758 -2.747 13.417) 14.499 5.167 ( 5.234 3.022 -3.909) 7.198 5.301 ( -9.744 -5.626 -13.389) 17.489 5.467 ( -2.675 -1.544 -6.337) 7.049 5.613 ( 6.455 3.727 -3.145) 8.090 5.861 ( -3.377 -1.950 2.421) 4.590 6.022 ( 7.425 4.287 -4.839) 9.845 6.207 ( -10.698 -6.176 -1.981) 12.510 6.375 ( -1.525 -0.880 -3.189) 3.643 6.391 ( -0.892 -0.515 1.914) 2.174 6.483 ( -0.286 -0.165 -0.387) 0.509 6.719 ( -4.326 -2.498 10.964) 12.048 6.900 ( 11.612 6.704 1.086) 13.452 6.922 ( 2.992 1.727 -4.342) 5.549 7.044 ( -3.769 -2.176 -12.270) 13.019 7.186 ( 2.912 1.681 6.749) 7.540 7.358 ( -0.304 -0.175 -4.573) 4.587 7.487 ( 1.434 0.828 13.889) 13.987 7.586 ( -0.659 -0.380 8.646) 8.680 7.740 ( 0.728 0.420 -2.352) 2.497 7.770 ( 3.055 1.764 7.874) 8.628 7.899 ( 0.672 0.388 -15.390) 15.410 8.035 ( 3.304 1.907 -18.702) 19.088 9.543 ( -1.777 -1.026 15.018) 15.157 9.684 ( -11.821 -6.825 -4.337) 14.322 9.778 ( -7.127 -4.115 13.327) 15.663 9.978 ( -3.245 -1.874 10.327) 10.985 10.120 ( -1.176 -0.679 7.514) 7.636 10.189 ( -4.743 -2.738 -11.243) 12.505 10.213 ( -1.394 -0.805 -19.294) 19.361 10.385 ( 1.042 0.602 -7.008) 7.110 10.719 ( -3.170 -1.830 3.864) 5.323 11.109 ( 6.416 3.704 -5.283) 9.099 11.216 ( 6.199 3.579 -1.454) 7.304 11.317 ( 12.330 7.119 1.714) 14.341 11.924 ( -0.088 -0.051 9.068) 9.068 12.074 ( 0.132 0.076 -6.563) 6.565 12.102 ( 3.875 2.237 3.144) 5.468 12.235 ( 5.342 3.084 -3.226) 6.961 12.372 ( -0.440 -0.254 5.699) 5.722 12.540 ( -0.992 -0.573 -8.324) 8.402 12.651 ( 2.019 1.166 6.869) 7.253 12.786 ( 4.039 2.332 -3.997) 6.142 14.750 ( -1.829 -1.056 8.250) 8.516 14.981 ( -0.953 -0.550 -12.726) 12.774 15.126 ( 7.382 4.262 1.700) 8.692 15.255 ( 9.636 5.563 -5.630) 12.470 16.598 ( -4.724 -2.727 8.593) 10.178 16.790 ( -0.602 -0.348 -6.062) 6.102 17.536 ( -9.550 -5.514 18.799) 21.795 17.779 ( -14.563 -8.408 -1.896) 16.923 18.133 ( -13.923 -8.038 -5.686) 17.052 18.212 ( -4.632 -2.674 -7.473) 9.190 18.598 ( 3.890 2.246 18.395) 18.935 19.027 ( 9.725 5.615 -9.395) 14.641 ======================= 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 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.07e-04 4.07e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.430 ( 0.000 -1.191 -0.802) 1.436 3.497 ( -0.000 3.807 -3.280) 5.025 3.788 ( 0.000 -4.916 4.956) 6.981 3.830 ( 0.000 -3.128 3.348) 4.582 3.965 ( -0.000 4.886 3.657) 6.103 4.100 ( 0.000 9.749 -1.839) 9.921 4.515 ( 0.000 -2.094 14.069) 14.224 4.573 ( -0.000 -13.187 9.617) 16.322 4.727 ( 0.000 -7.916 0.884) 7.965 4.822 ( 0.000 -10.360 0.727) 10.385 4.852 ( -0.000 4.434 15.179) 15.814 5.051 ( 0.000 8.963 -1.980) 9.179 5.237 ( -0.000 2.387 -1.650) 2.902 5.338 ( 0.000 2.813 2.755) 3.937 5.513 ( 0.000 -4.506 -18.054) 18.608 5.569 ( 0.000 1.206 -14.140) 14.192 5.872 ( 0.000 3.464 -1.302) 3.701 5.901 ( 0.000 2.548 -3.088) 4.004 6.343 ( -0.000 -6.904 0.608) 6.931 6.418 ( -0.000 -1.431 2.595) 2.963 6.429 ( 0.000 -3.244 -3.784) 4.984 6.546 ( 0.000 1.603 -6.846) 7.031 6.647 ( -0.000 7.321 5.882) 9.391 6.771 ( -0.000 7.871 -1.992) 8.119 6.879 ( 0.000 -9.699 11.595) 15.117 7.138 ( 0.000 7.735 7.723) 10.931 7.162 ( 0.000 -6.784 -11.462) 13.319 7.319 ( -0.000 2.898 -9.261) 9.704 7.484 ( 0.000 -0.564 13.821) 13.832 7.553 ( 0.000 3.183 16.538) 16.841 7.747 ( 0.000 -5.079 0.045) 5.079 7.770 ( -0.000 -3.153 1.541) 3.509 7.858 ( 0.000 -2.467 -16.870) 17.049 8.009 ( -0.000 7.198 -18.276) 19.642 9.561 ( 0.000 -1.405 19.882) 19.932 9.884 ( 0.000 -7.549 -7.546) 10.673 9.905 ( -0.000 -9.320 10.791) 14.258 10.007 ( 0.000 -6.996 9.660) 11.927 10.144 ( 0.000 3.603 8.402) 9.142 10.258 ( 0.000 -1.013 -17.653) 17.682 10.291 ( 0.000 -2.594 -11.604) 11.891 10.347 ( 0.000 0.237 -10.154) 10.156 10.874 ( -0.000 2.909 5.321) 6.064 10.917 ( 0.000 -4.434 -4.071) 6.020 10.992 ( 0.000 6.821 5.609) 8.831 11.185 ( 0.000 13.898 -3.928) 14.443 11.925 ( 0.000 -1.053 6.157) 6.246 12.031 ( 0.000 5.602 4.565) 7.226 12.087 ( -0.000 0.866 -6.227) 6.287 12.138 ( 0.000 3.612 -4.897) 6.085 12.382 ( 0.000 -0.567 5.789) 5.817 12.556 ( 0.000 -0.810 -8.487) 8.525 12.626 ( 0.000 1.391 6.467) 6.615 12.728 ( -0.000 2.187 -2.946) 3.669 14.795 ( 0.000 -4.729 7.061) 8.499 15.002 ( 0.000 8.943 2.679) 9.335 15.007 ( -0.000 -1.525 -11.115) 11.219 15.113 ( -0.000 5.576 -7.274) 9.165 16.666 ( 0.000 -1.826 7.194) 7.422 16.795 ( 0.000 -1.420 -4.792) 4.998 17.670 ( 0.000 -6.841 19.031) 20.224 18.111 ( 0.000 -7.632 -17.480) 19.074 18.137 ( -0.000 -13.473 14.776) 19.997 18.424 ( 0.000 -12.557 -7.238) 14.493 18.551 ( 0.000 13.530 14.262) 19.659 18.811 ( 0.000 9.541 -10.042) 13.852 ======================= 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 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.07e-04 4.07e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.414 ( 7.379 -9.739 -2.511) 12.474 3.414 ( -12.124 1.521 2.511) 12.474 3.820 ( 0.886 -3.969 -5.531) 6.865 3.820 ( -3.880 -1.217 5.531) 6.865 4.094 ( -4.957 7.538 -2.238) 9.296 4.094 ( 9.007 -0.524 2.238) 9.296 4.540 ( 3.028 -2.271 -7.644) 8.530 4.540 ( -3.481 1.487 7.644) 8.530 4.780 ( -3.208 -1.296 -6.076) 6.993 4.780 ( 0.482 -3.427 6.076) 6.993 4.982 ( 4.697 -5.094 -12.044) 13.894 4.982 ( -6.760 1.521 12.044) 13.895 5.244 ( -2.918 -3.883 -13.877) 14.703 5.244 ( -1.904 -4.469 13.877) 14.703 5.483 ( -0.581 5.865 -5.815) 8.280 5.483 ( 5.370 2.430 5.815) 8.280 5.921 ( 4.831 2.603 -2.546) 6.050 5.921 ( -0.161 5.485 2.546) 6.050 6.287 ( -5.570 -6.554 -1.958) 8.822 6.287 ( -2.891 -8.101 1.958) 8.822 6.480 ( -1.346 2.199 -4.485) 5.174 6.480 ( 2.577 -0.066 4.485) 5.174 6.817 ( 0.203 4.907 -4.453) 6.629 6.817 ( 4.148 2.629 4.453) 6.629 6.933 ( -2.576 -2.725 -10.322) 10.982 6.933 ( -1.072 -3.593 10.322) 10.982 7.272 ( 3.430 2.114 -6.699) 7.817 7.272 ( 0.116 4.028 6.699) 7.817 7.654 ( 0.587 0.532 -12.977) 13.001 7.654 ( 0.167 0.775 12.977) 13.001 7.708 ( 2.400 -4.825 -7.717) 9.412 7.708 ( -5.378 -0.334 7.717) 9.412 7.860 ( -0.958 6.282 -16.201) 17.403 7.860 ( 5.920 2.311 16.201) 17.403 9.683 ( -5.903 -6.434 -9.250) 12.720 9.683 ( -2.620 -8.329 9.250) 12.720 9.979 ( -1.482 -5.883 -14.355) 15.584 9.979 ( -4.354 -4.225 14.355) 15.584 10.103 ( -2.187 -3.346 -6.924) 7.995 10.103 ( -1.804 -3.567 6.924) 7.995 10.263 ( 3.194 0.341 -9.367) 9.903 10.263 ( -1.302 2.937 9.367) 9.903 10.879 ( 8.653 -5.607 -5.725) 11.794 10.879 ( -9.183 4.690 5.725) 11.794 11.245 ( 0.323 13.896 -5.798) 15.060 11.245 ( 11.872 7.228 5.798) 15.060 12.004 ( -0.987 0.805 -7.374) 7.483 12.004 ( 1.190 -0.452 7.374) 7.483 12.148 ( 4.133 4.402 -4.577) 7.577 12.148 ( 1.746 5.780 4.577) 7.577 12.453 ( -0.464 -0.672 -7.894) 7.937 12.453 ( -0.350 -0.738 7.895) 7.937 12.713 ( 1.801 2.295 -5.256) 6.012 12.713 ( 1.087 2.708 5.256) 6.012 14.858 ( -1.736 -1.573 -10.433) 10.693 14.858 ( -0.494 -2.290 10.433) 10.693 15.141 ( 5.924 7.528 -4.120) 10.428 15.141 ( 3.557 8.895 4.120) 10.428 16.712 ( -0.450 -2.952 -6.713) 7.348 16.712 ( -2.331 -1.866 6.714) 7.348 17.771 ( -8.408 -9.225 -16.406) 20.614 17.771 ( -3.785 -11.894 16.406) 20.614 18.167 ( -11.392 -7.211 -6.921) 15.156 18.167 ( -0.549 -13.472 6.921) 15.156 18.812 ( 8.926 5.674 -13.378) 17.054 18.812 ( 0.451 10.567 13.378) 17.054 ======================= 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 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.07e-04 4.07e-04 Number of triplets: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.441 ( -0.000 -0.000 -2.021) 2.021 3.441 ( 0.000 0.000 2.021) 2.021 3.916 ( 0.000 -6.292 -4.473) 7.720 3.916 ( 0.000 -6.292 4.473) 7.720 3.916 ( -0.000 6.292 -4.473) 7.720 3.916 ( -0.000 6.292 4.473) 7.720 4.741 ( -0.000 0.000 -17.492) 17.492 4.741 ( 0.000 -0.000 17.492) 17.492 4.865 ( 0.000 -8.165 -4.045) 9.112 4.865 ( 0.000 -8.165 4.045) 9.112 4.865 ( -0.000 8.165 -4.045) 9.112 4.865 ( 0.000 8.165 4.045) 9.112 5.369 ( -0.000 -3.235 -14.961) 15.307 5.369 ( -0.000 3.235 -14.961) 15.307 5.369 ( 0.000 -3.235 14.961) 15.307 5.369 ( 0.000 3.235 14.961) 15.307 5.848 ( -0.000 0.000 -1.968) 1.968 5.848 ( 0.000 -0.000 1.968) 1.968 6.445 ( 0.000 -2.780 -3.811) 4.717 6.445 ( -0.000 2.780 -3.811) 4.717 6.445 ( 0.000 -2.780 3.811) 4.717 6.445 ( 0.000 2.780 3.811) 4.717 6.650 ( -0.000 -0.000 -6.217) 6.217 6.650 ( 0.000 0.000 6.217) 6.217 7.136 ( 0.000 -5.560 -10.769) 12.120 7.136 ( -0.000 5.560 -10.769) 12.120 7.136 ( 0.000 -5.560 10.769) 12.120 7.136 ( 0.000 5.560 10.769) 12.120 7.702 ( -0.000 -2.963 -18.485) 18.721 7.702 ( -0.000 2.963 -18.485) 18.721 7.702 ( 0.000 -2.963 18.485) 18.721 7.702 ( 0.000 2.963 18.485) 18.721 7.802 ( -0.000 -0.000 -0.238) 0.238 7.802 ( 0.000 0.000 0.238) 0.238 9.795 ( -0.000 0.000 -17.606) 17.606 9.795 ( 0.000 0.000 17.606) 17.606 10.111 ( -0.000 0.000 -12.457) 12.457 10.111 ( 0.000 0.000 12.457) 12.457 10.204 ( -0.000 -2.530 -11.006) 11.293 10.204 ( -0.000 2.530 -11.006) 11.293 10.204 ( 0.000 -2.530 11.006) 11.293 10.204 ( 0.000 2.530 11.006) 11.293 10.952 ( 0.000 -5.719 -5.632) 8.027 10.952 ( -0.000 5.719 -5.632) 8.027 10.952 ( 0.000 -5.719 5.632) 8.027 10.952 ( 0.000 5.719 5.632) 8.027 12.027 ( -0.000 -2.198 -6.225) 6.601 12.027 ( -0.000 2.198 -6.225) 6.601 12.027 ( 0.000 -2.198 6.225) 6.601 12.027 ( 0.000 2.198 6.225) 6.601 12.466 ( -0.000 0.000 -8.115) 8.115 12.466 ( 0.000 0.000 8.115) 8.115 12.673 ( -0.000 -0.000 -4.165) 4.165 12.673 ( 0.000 -0.000 4.165) 4.165 14.951 ( 0.000 -4.236 -7.252) 8.399 14.951 ( -0.000 4.236 -7.252) 8.399 14.951 ( 0.000 -4.236 7.252) 8.399 14.951 ( 0.000 4.236 7.253) 8.399 16.749 ( -0.000 0.000 -5.405) 5.405 16.749 ( 0.000 0.000 5.405) 5.405 17.953 ( -0.000 0.000 -20.599) 20.599 17.953 ( 0.000 0.000 20.599) 20.599 18.505 ( 0.000 -11.137 -12.999) 17.117 18.505 ( -0.000 11.137 -12.999) 17.117 18.505 ( 0.000 -11.137 12.999) 17.117 18.505 ( 0.000 11.137 12.999) 17.117 =================== 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 2070.640 2070.640 1570.195 0.000 -0.000 -0.000 3/33792 20.0 982.857 982.857 892.628 0.000 -0.000 -0.000 3/33792 30.0 305.103 305.103 290.938 0.000 -0.000 -0.000 3/33792 40.0 130.315 130.315 130.954 0.000 -0.000 -0.000 3/33792 50.0 71.378 71.378 74.970 0.000 -0.000 -0.000 3/33792 60.0 45.785 45.785 49.594 0.000 -0.000 -0.000 3/33792 70.0 32.495 32.495 35.911 0.000 -0.000 -0.000 3/33792 80.0 24.688 24.688 27.648 0.000 -0.000 -0.000 3/33792 90.0 19.682 19.682 22.252 0.000 -0.000 -0.000 3/33792 100.0 16.260 16.260 18.520 0.000 -0.000 -0.000 3/33792 110.0 13.803 13.803 15.820 0.000 -0.000 -0.000 3/33792 120.0 11.969 11.969 13.796 0.000 -0.000 -0.000 3/33792 130.0 10.557 10.557 12.232 0.000 -0.000 -0.000 3/33792 140.0 9.441 9.441 10.993 0.000 -0.000 -0.000 3/33792 150.0 8.540 8.540 9.991 0.000 -0.000 -0.000 3/33792 160.0 7.799 7.799 9.166 0.000 -0.000 -0.000 3/33792 170.0 7.180 7.180 8.475 0.000 -0.000 -0.000 3/33792 180.0 6.655 6.655 7.888 0.000 -0.000 -0.000 3/33792 190.0 6.205 6.205 7.383 0.000 -0.000 -0.000 3/33792 200.0 5.815 5.815 6.945 0.000 -0.000 -0.000 3/33792 210.0 5.474 5.474 6.560 0.000 -0.000 -0.000 3/33792 220.0 5.172 5.172 6.220 0.000 -0.000 -0.000 3/33792 230.0 4.904 4.904 5.916 0.000 -0.000 -0.000 3/33792 240.0 4.664 4.664 5.643 0.000 -0.000 -0.000 3/33792 250.0 4.448 4.448 5.396 0.000 -0.000 -0.000 3/33792 260.0 4.252 4.252 5.172 0.000 -0.000 -0.000 3/33792 270.0 4.073 4.073 4.967 0.000 -0.000 -0.000 3/33792 280.0 3.910 3.910 4.779 0.000 -0.000 -0.000 3/33792 290.0 3.760 3.760 4.606 0.000 -0.000 -0.000 3/33792 300.0 3.622 3.622 4.445 0.000 -0.000 -0.000 3/33792 310.0 3.494 3.494 4.297 0.000 -0.000 -0.000 3/33792 320.0 3.375 3.375 4.158 0.000 -0.000 -0.000 3/33792 330.0 3.264 3.264 4.028 0.000 -0.000 -0.000 3/33792 340.0 3.161 3.161 3.907 0.000 -0.000 -0.000 3/33792 350.0 3.064 3.064 3.793 0.000 -0.000 -0.000 3/33792 360.0 2.974 2.974 3.686 0.000 -0.000 -0.000 3/33792 370.0 2.888 2.888 3.585 0.000 -0.000 -0.000 3/33792 380.0 2.808 2.808 3.490 0.000 -0.000 -0.000 3/33792 390.0 2.732 2.732 3.399 0.000 -0.000 -0.000 3/33792 400.0 2.660 2.660 3.314 0.000 -0.000 -0.000 3/33792 410.0 2.592 2.592 3.232 0.000 -0.000 -0.000 3/33792 420.0 2.528 2.528 3.155 0.000 -0.000 -0.000 3/33792 430.0 2.467 2.467 3.082 0.000 -0.000 -0.000 3/33792 440.0 2.408 2.408 3.012 0.000 -0.000 -0.000 3/33792 450.0 2.353 2.353 2.945 0.000 -0.000 -0.000 3/33792 460.0 2.300 2.300 2.881 0.000 -0.000 -0.000 3/33792 470.0 2.249 2.249 2.819 0.000 -0.000 -0.000 3/33792 480.0 2.201 2.201 2.761 0.000 -0.000 -0.000 3/33792 490.0 2.155 2.155 2.705 0.000 -0.000 -0.000 3/33792 500.0 2.111 2.111 2.651 0.000 -0.000 -0.000 3/33792 510.0 2.068 2.068 2.599 0.000 -0.000 -0.000 3/33792 520.0 2.027 2.027 2.549 0.000 -0.000 -0.000 3/33792 530.0 1.988 1.988 2.501 0.000 -0.000 -0.000 3/33792 540.0 1.950 1.950 2.455 0.000 -0.000 -0.000 3/33792 550.0 1.914 1.914 2.411 0.000 -0.000 -0.000 3/33792 560.0 1.879 1.879 2.368 0.000 -0.000 -0.000 3/33792 570.0 1.846 1.846 2.327 0.000 -0.000 -0.000 3/33792 580.0 1.813 1.813 2.287 0.000 -0.000 -0.000 3/33792 590.0 1.782 1.782 2.248 0.000 -0.000 -0.000 3/33792 600.0 1.752 1.752 2.211 0.000 -0.000 -0.000 3/33792 610.0 1.723 1.723 2.175 0.000 -0.000 -0.000 3/33792 620.0 1.694 1.694 2.140 0.000 -0.000 -0.000 3/33792 630.0 1.667 1.667 2.106 0.000 -0.000 -0.000 3/33792 640.0 1.641 1.641 2.074 0.000 -0.000 -0.000 3/33792 650.0 1.615 1.615 2.042 0.000 -0.000 -0.000 3/33792 660.0 1.590 1.590 2.011 0.000 -0.000 -0.000 3/33792 670.0 1.566 1.566 1.981 0.000 -0.000 -0.000 3/33792 680.0 1.543 1.543 1.952 0.000 -0.000 -0.000 3/33792 690.0 1.520 1.520 1.924 0.000 -0.000 -0.000 3/33792 700.0 1.498 1.498 1.897 0.000 -0.000 -0.000 3/33792 710.0 1.477 1.477 1.870 0.000 -0.000 -0.000 3/33792 720.0 1.456 1.456 1.845 0.000 -0.000 -0.000 3/33792 730.0 1.436 1.436 1.820 0.000 -0.000 -0.000 3/33792 740.0 1.416 1.416 1.795 0.000 -0.000 -0.000 3/33792 750.0 1.397 1.397 1.771 0.000 -0.000 -0.000 3/33792 760.0 1.379 1.379 1.748 0.000 -0.000 -0.000 3/33792 770.0 1.361 1.361 1.726 0.000 -0.000 -0.000 3/33792 780.0 1.343 1.343 1.704 0.000 -0.000 -0.000 3/33792 790.0 1.326 1.326 1.682 0.000 -0.000 -0.000 3/33792 800.0 1.309 1.309 1.661 0.000 -0.000 -0.000 3/33792 810.0 1.293 1.293 1.641 0.000 -0.000 -0.000 3/33792 820.0 1.277 1.277 1.621 0.000 -0.000 -0.000 3/33792 830.0 1.262 1.262 1.602 0.000 -0.000 -0.000 3/33792 840.0 1.247 1.247 1.583 0.000 -0.000 -0.000 3/33792 850.0 1.232 1.232 1.564 0.000 -0.000 -0.000 3/33792 860.0 1.217 1.217 1.546 0.000 -0.000 -0.000 3/33792 870.0 1.203 1.203 1.528 0.000 -0.000 -0.000 3/33792 880.0 1.190 1.190 1.511 0.000 -0.000 -0.000 3/33792 890.0 1.176 1.176 1.494 0.000 -0.000 -0.000 3/33792 900.0 1.163 1.163 1.478 0.000 -0.000 -0.000 3/33792 910.0 1.150 1.150 1.462 0.000 -0.000 -0.000 3/33792 920.0 1.138 1.138 1.446 0.000 -0.000 -0.000 3/33792 930.0 1.125 1.125 1.430 0.000 -0.000 -0.000 3/33792 940.0 1.113 1.113 1.415 0.000 -0.000 -0.000 3/33792 950.0 1.101 1.101 1.400 0.000 -0.000 -0.000 3/33792 960.0 1.090 1.090 1.386 0.000 -0.000 -0.000 3/33792 970.0 1.079 1.079 1.372 0.000 -0.000 -0.000 3/33792 980.0 1.068 1.068 1.358 0.000 -0.000 -0.000 3/33792 990.0 1.057 1.057 1.344 0.000 -0.000 -0.000 3/33792 1000.0 1.046 1.046 1.331 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 21:30:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|