----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 18:59:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.024320130000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.944307550000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.196328180000001 Atomic positions (fractional): *1 O 0.99760287043274 0.47677780683623 0.76152719715414 15.999 2 O 0.49760287043274 0.02322219316377 0.23847280284586 15.999 3 O 0.50239712956726 0.52322219316377 0.26152719715414 15.999 4 O 0.00239712956726 0.97677780683623 0.73847280284586 15.999 5 O 0.00239712956726 0.52322219316377 0.23847280284586 15.999 6 O 0.50239712956726 0.97677780683623 0.76152719715414 15.999 7 O 0.49760287043274 0.47677780683623 0.73847280284586 15.999 8 O 0.99760287043274 0.02322219316377 0.26152719715414 15.999 *9 O 0.62749756112023 0.29029365166194 0.12528291882376 15.999 10 O 0.12749756112023 0.20970634833806 0.87471708117624 15.999 11 O 0.87250243887977 0.70970634833806 0.62528291882376 15.999 12 O 0.37250243887977 0.79029365166194 0.37471708117624 15.999 13 O 0.37250243887977 0.70970634833806 0.87471708117624 15.999 14 O 0.87250243887977 0.79029365166194 0.12528291882376 15.999 15 O 0.12749756112023 0.29029365166194 0.37471708117624 15.999 16 O 0.62749756112023 0.20970634833806 0.62528291882376 15.999 *17 Hf 0.75456658505893 0.11518594230264 0.96414919153455 178.490 18 Hf 0.25456658505893 0.38481405769736 0.03585080846545 178.490 19 Hf 0.74543341494107 0.88481405769736 0.46414919153455 178.490 20 Hf 0.24543341494107 0.61518594230264 0.53585080846545 178.490 21 Hf 0.24543341494107 0.88481405769736 0.03585080846545 178.490 22 Hf 0.74543341494107 0.61518594230264 0.96414919153455 178.490 23 Hf 0.25456658505893 0.11518594230264 0.53585080846545 178.490 24 Hf 0.75456658505893 0.38481405769736 0.46414919153455 178.490 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.024320130000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.944307550000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.196328180000001 Atomic positions (fractional): *1 O 0.99760287043274 0.47677780683623 0.76152719715414 15.999 > 1 2 O 0.49760287043274 0.02322219316377 0.23847280284586 15.999 > 2 3 O 0.50239712956726 0.52322219316377 0.26152719715414 15.999 > 3 4 O 0.00239712956726 0.97677780683623 0.73847280284586 15.999 > 4 5 O 0.00239712956726 0.52322219316377 0.23847280284586 15.999 > 5 6 O 0.50239712956726 0.97677780683623 0.76152719715414 15.999 > 6 7 O 0.49760287043274 0.47677780683623 0.73847280284586 15.999 > 7 8 O 0.99760287043274 0.02322219316377 0.26152719715414 15.999 > 8 *9 O 0.62749756112023 0.29029365166194 0.12528291882376 15.999 > 9 10 O 0.12749756112023 0.20970634833806 0.87471708117624 15.999 > 10 11 O 0.87250243887977 0.70970634833806 0.62528291882376 15.999 > 11 12 O 0.37250243887977 0.79029365166194 0.37471708117624 15.999 > 12 13 O 0.37250243887977 0.70970634833806 0.87471708117624 15.999 > 13 14 O 0.87250243887977 0.79029365166194 0.12528291882376 15.999 > 14 15 O 0.12749756112023 0.29029365166194 0.37471708117624 15.999 > 15 16 O 0.62749756112023 0.20970634833806 0.62528291882376 15.999 > 16 *17 Hf 0.75456658505893 0.11518594230264 0.96414919153455 178.490 > 17 18 Hf 0.25456658505893 0.38481405769736 0.03585080846545 178.490 > 18 19 Hf 0.74543341494107 0.88481405769736 0.46414919153455 178.490 > 19 20 Hf 0.24543341494107 0.61518594230264 0.53585080846545 178.490 > 20 21 Hf 0.24543341494107 0.88481405769736 0.03585080846545 178.490 > 21 22 Hf 0.74543341494107 0.61518594230264 0.96414919153455 178.490 > 22 23 Hf 0.25456658505893 0.11518594230264 0.53585080846545 178.490 > 23 24 Hf 0.75456658505893 0.38481405769736 0.46414919153455 178.490 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.048640260000001 0.000000000000000 0.000000000000000 b 0.000000000000000 9.944307550000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.392656360000002 Atomic positions (fractional): *1 O 0.49880143521637 0.47677780683623 0.38076359857707 15.999 > 1 2 O 0.99880143521637 0.47677780683623 0.38076359857707 15.999 > 1 3 O 0.49880143521637 0.47677780683623 0.88076359857707 15.999 > 1 4 O 0.99880143521637 0.47677780683623 0.88076359857707 15.999 > 1 5 O 0.24880143521637 0.02322219316377 0.11923640142293 15.999 > 2 6 O 0.74880143521637 0.02322219316377 0.11923640142293 15.999 > 2 7 O 0.24880143521637 0.02322219316377 0.61923640142293 15.999 > 2 8 O 0.74880143521637 0.02322219316377 0.61923640142293 15.999 > 2 9 O 0.25119856478363 0.52322219316377 0.13076359857707 15.999 > 3 10 O 0.75119856478363 0.52322219316377 0.13076359857707 15.999 > 3 11 O 0.25119856478363 0.52322219316377 0.63076359857707 15.999 > 3 12 O 0.75119856478363 0.52322219316377 0.63076359857707 15.999 > 3 13 O 0.00119856478363 0.97677780683623 0.36923640142293 15.999 > 4 14 O 0.50119856478363 0.97677780683623 0.36923640142293 15.999 > 4 15 O 0.00119856478363 0.97677780683623 0.86923640142293 15.999 > 4 16 O 0.50119856478363 0.97677780683623 0.86923640142293 15.999 > 4 17 O 0.00119856478363 0.52322219316377 0.11923640142293 15.999 > 5 18 O 0.50119856478363 0.52322219316377 0.11923640142293 15.999 > 5 19 O 0.00119856478363 0.52322219316377 0.61923640142293 15.999 > 5 20 O 0.50119856478363 0.52322219316377 0.61923640142293 15.999 > 5 21 O 0.25119856478363 0.97677780683623 0.38076359857707 15.999 > 6 22 O 0.75119856478363 0.97677780683623 0.38076359857707 15.999 > 6 23 O 0.25119856478363 0.97677780683623 0.88076359857707 15.999 > 6 24 O 0.75119856478363 0.97677780683623 0.88076359857707 15.999 > 6 25 O 0.24880143521637 0.47677780683623 0.36923640142293 15.999 > 7 26 O 0.74880143521637 0.47677780683623 0.36923640142293 15.999 > 7 27 O 0.24880143521637 0.47677780683623 0.86923640142293 15.999 > 7 28 O 0.74880143521637 0.47677780683623 0.86923640142293 15.999 > 7 29 O 0.49880143521637 0.02322219316377 0.13076359857707 15.999 > 8 30 O 0.99880143521637 0.02322219316377 0.13076359857707 15.999 > 8 31 O 0.49880143521637 0.02322219316377 0.63076359857707 15.999 > 8 32 O 0.99880143521637 0.02322219316377 0.63076359857707 15.999 > 8 *33 O 0.31374878056011 0.29029365166194 0.06264145941188 15.999 > 9 34 O 0.81374878056011 0.29029365166194 0.06264145941188 15.999 > 9 35 O 0.31374878056011 0.29029365166194 0.56264145941188 15.999 > 9 36 O 0.81374878056011 0.29029365166194 0.56264145941188 15.999 > 9 37 O 0.06374878056011 0.20970634833806 0.43735854058812 15.999 > 10 38 O 0.56374878056011 0.20970634833806 0.43735854058812 15.999 > 10 39 O 0.06374878056011 0.20970634833806 0.93735854058812 15.999 > 10 40 O 0.56374878056011 0.20970634833806 0.93735854058812 15.999 > 10 41 O 0.43625121943989 0.70970634833806 0.31264145941188 15.999 > 11 42 O 0.93625121943989 0.70970634833806 0.31264145941188 15.999 > 11 43 O 0.43625121943989 0.70970634833806 0.81264145941188 15.999 > 11 44 O 0.93625121943989 0.70970634833806 0.81264145941188 15.999 > 11 45 O 0.18625121943989 0.79029365166194 0.18735854058812 15.999 > 12 46 O 0.68625121943989 0.79029365166194 0.18735854058812 15.999 > 12 47 O 0.18625121943989 0.79029365166194 0.68735854058812 15.999 > 12 48 O 0.68625121943989 0.79029365166194 0.68735854058812 15.999 > 12 49 O 0.18625121943989 0.70970634833806 0.43735854058812 15.999 > 13 50 O 0.68625121943989 0.70970634833806 0.43735854058812 15.999 > 13 51 O 0.18625121943989 0.70970634833806 0.93735854058812 15.999 > 13 52 O 0.68625121943989 0.70970634833806 0.93735854058812 15.999 > 13 53 O 0.43625121943989 0.79029365166194 0.06264145941188 15.999 > 14 54 O 0.93625121943989 0.79029365166194 0.06264145941188 15.999 > 14 55 O 0.43625121943989 0.79029365166194 0.56264145941188 15.999 > 14 56 O 0.93625121943989 0.79029365166194 0.56264145941188 15.999 > 14 57 O 0.06374878056011 0.29029365166194 0.18735854058812 15.999 > 15 58 O 0.56374878056011 0.29029365166194 0.18735854058812 15.999 > 15 59 O 0.06374878056011 0.29029365166194 0.68735854058812 15.999 > 15 60 O 0.56374878056011 0.29029365166194 0.68735854058812 15.999 > 15 61 O 0.31374878056011 0.20970634833806 0.31264145941188 15.999 > 16 62 O 0.81374878056011 0.20970634833806 0.31264145941188 15.999 > 16 63 O 0.31374878056011 0.20970634833806 0.81264145941188 15.999 > 16 64 O 0.81374878056011 0.20970634833806 0.81264145941188 15.999 > 16 *65 Hf 0.37728329252947 0.11518594230264 0.48207459576728 178.490 > 17 66 Hf 0.87728329252947 0.11518594230264 0.48207459576728 178.490 > 17 67 Hf 0.37728329252947 0.11518594230264 0.98207459576728 178.490 > 17 68 Hf 0.87728329252947 0.11518594230264 0.98207459576728 178.490 > 17 69 Hf 0.12728329252947 0.38481405769736 0.01792540423272 178.490 > 18 70 Hf 0.62728329252947 0.38481405769736 0.01792540423272 178.490 > 18 71 Hf 0.12728329252947 0.38481405769736 0.51792540423272 178.490 > 18 72 Hf 0.62728329252947 0.38481405769736 0.51792540423272 178.490 > 18 73 Hf 0.37271670747053 0.88481405769736 0.23207459576728 178.490 > 19 74 Hf 0.87271670747053 0.88481405769736 0.23207459576728 178.490 > 19 75 Hf 0.37271670747053 0.88481405769736 0.73207459576728 178.490 > 19 76 Hf 0.87271670747053 0.88481405769736 0.73207459576728 178.490 > 19 77 Hf 0.12271670747053 0.61518594230264 0.26792540423272 178.490 > 20 78 Hf 0.62271670747053 0.61518594230264 0.26792540423272 178.490 > 20 79 Hf 0.12271670747053 0.61518594230264 0.76792540423272 178.490 > 20 80 Hf 0.62271670747053 0.61518594230264 0.76792540423272 178.490 > 20 81 Hf 0.12271670747053 0.88481405769736 0.01792540423272 178.490 > 21 82 Hf 0.62271670747053 0.88481405769736 0.01792540423272 178.490 > 21 83 Hf 0.12271670747053 0.88481405769736 0.51792540423272 178.490 > 21 84 Hf 0.62271670747053 0.88481405769736 0.51792540423272 178.490 > 21 85 Hf 0.37271670747053 0.61518594230264 0.48207459576728 178.490 > 22 86 Hf 0.87271670747053 0.61518594230264 0.48207459576728 178.490 > 22 87 Hf 0.37271670747053 0.61518594230264 0.98207459576728 178.490 > 22 88 Hf 0.87271670747053 0.61518594230264 0.98207459576728 178.490 > 22 89 Hf 0.12728329252947 0.11518594230264 0.26792540423272 178.490 > 23 90 Hf 0.62728329252947 0.11518594230264 0.26792540423272 178.490 > 23 91 Hf 0.12728329252947 0.11518594230264 0.76792540423272 178.490 > 23 92 Hf 0.62728329252947 0.11518594230264 0.76792540423272 178.490 > 23 93 Hf 0.37728329252947 0.38481405769736 0.23207459576728 178.490 > 24 94 Hf 0.87728329252947 0.38481405769736 0.23207459576728 178.490 > 24 95 Hf 0.37728329252947 0.38481405769736 0.73207459576728 178.490 > 24 96 Hf 0.87728329252947 0.38481405769736 0.73207459576728 178.490 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.9768503 0.0000000 0.0000000 0.0000000 5.2200748 0.0000000 0.0000000 0.0000000 5.0949230 -------------------------- Born effective charges -------------------------- 1 O -2.4973286 0.0305996 -0.3294115 0.0789242 -2.4908712 0.0454070 -0.2872215 0.0151225 -2.7327224 2 O -2.4973286 -0.0305996 0.3294115 -0.0789242 -2.4908712 0.0454070 0.2872215 0.0151225 -2.7327224 3 O -2.4973286 0.0305996 0.3294115 0.0789242 -2.4908712 -0.0454070 0.2872215 -0.0151225 -2.7327224 4 O -2.4973286 -0.0305996 -0.3294115 -0.0789242 -2.4908712 -0.0454070 -0.2872215 -0.0151225 -2.7327224 5 O -2.4973286 0.0305996 -0.3294115 0.0789242 -2.4908712 0.0454070 -0.2872215 0.0151225 -2.7327224 6 O -2.4973286 -0.0305996 0.3294115 -0.0789242 -2.4908712 0.0454070 0.2872215 0.0151225 -2.7327224 7 O -2.4973286 0.0305996 0.3294115 0.0789242 -2.4908712 -0.0454070 0.2872215 -0.0151225 -2.7327224 8 O -2.4973286 -0.0305996 -0.3294115 -0.0789242 -2.4908712 -0.0454070 -0.2872215 -0.0151225 -2.7327224 9 O -2.4379469 0.5802243 -0.3288215 0.6400113 -2.9434717 -0.7829610 -0.3318941 -0.9680379 -2.5381907 10 O -2.4379469 -0.5802243 0.3288215 -0.6400113 -2.9434717 -0.7829610 0.3318941 -0.9680379 -2.5381907 11 O -2.4379469 0.5802243 0.3288215 0.6400113 -2.9434717 0.7829610 0.3318941 0.9680379 -2.5381907 12 O -2.4379469 -0.5802243 -0.3288215 -0.6400113 -2.9434717 0.7829610 -0.3318941 0.9680379 -2.5381907 13 O -2.4379469 0.5802243 -0.3288215 0.6400113 -2.9434717 -0.7829610 -0.3318941 -0.9680379 -2.5381907 14 O -2.4379469 -0.5802243 0.3288215 -0.6400113 -2.9434717 -0.7829610 0.3318941 -0.9680379 -2.5381907 15 O -2.4379469 0.5802243 0.3288215 0.6400113 -2.9434717 0.7829610 0.3318941 0.9680379 -2.5381907 16 O -2.4379469 -0.5802243 -0.3288215 -0.6400113 -2.9434717 0.7829610 -0.3318941 0.9680379 -2.5381907 17 Hf 4.9352755 -0.2542995 -0.0352630 -0.0493461 5.4343430 -0.3826749 -0.1247209 -0.0179332 5.2709131 18 Hf 4.9352755 0.2542995 0.0352630 0.0493461 5.4343430 -0.3826749 0.1247209 -0.0179332 5.2709131 19 Hf 4.9352755 -0.2542995 0.0352630 -0.0493461 5.4343430 0.3826749 0.1247209 0.0179332 5.2709131 20 Hf 4.9352755 0.2542995 -0.0352630 0.0493461 5.4343430 0.3826749 -0.1247209 0.0179332 5.2709131 21 Hf 4.9352755 -0.2542995 -0.0352630 -0.0493461 5.4343430 -0.3826749 -0.1247209 -0.0179332 5.2709131 22 Hf 4.9352755 0.2542995 0.0352630 0.0493461 5.4343430 -0.3826749 0.1247209 -0.0179332 5.2709131 23 Hf 4.9352755 -0.2542995 0.0352630 -0.0493461 5.4343430 0.3826749 0.1247209 0.0179332 5.2709131 24 Hf 4.9352755 0.2542995 -0.0352630 0.0493461 5.4343430 0.3826749 -0.1247209 0.0179332 5.2709131 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1368 Number of blocks in projector: 1368 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 168 Use standard eigh solver. Tree of FC basis block matrices: - (1368, 1341), data: False |-- (168, 165), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (288, 282), data: True |-- (288, 282), data: True |-- (288, 282), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 400 - Time: 1.623 Solver_block: 200 / 400 - Time: 1.916 Solver_block: 300 / 400 - Time: 1.907 Solver_block: 400 / 400 - Time: 1.618 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.244 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1368 Number of blocks in projector: 1368 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 168 Use standard eigh solver. Tree of FC basis block matrices: - (1368, 1341), data: False |-- (168, 165), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (288, 282), data: True |-- (288, 282), data: True |-- (288, 282), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 18:59:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:59:59]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.024320130000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.944307550000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.196328180000001 Atomic positions (fractional): 1 O 0.99760287043274 0.47677780683623 0.76152719715414 15.999 2 O 0.49760287043274 0.02322219316377 0.23847280284586 15.999 3 O 0.50239712956726 0.52322219316377 0.26152719715414 15.999 4 O 0.00239712956726 0.97677780683623 0.73847280284586 15.999 5 O 0.00239712956726 0.52322219316377 0.23847280284586 15.999 6 O 0.50239712956726 0.97677780683623 0.76152719715414 15.999 7 O 0.49760287043274 0.47677780683623 0.73847280284586 15.999 8 O 0.99760287043274 0.02322219316377 0.26152719715414 15.999 9 O 0.62749756112023 0.29029365166194 0.12528291882376 15.999 10 O 0.12749756112023 0.20970634833806 0.87471708117624 15.999 11 O 0.87250243887977 0.70970634833806 0.62528291882376 15.999 12 O 0.37250243887977 0.79029365166194 0.37471708117624 15.999 13 O 0.37250243887977 0.70970634833806 0.87471708117624 15.999 14 O 0.87250243887977 0.79029365166194 0.12528291882376 15.999 15 O 0.12749756112023 0.29029365166194 0.37471708117624 15.999 16 O 0.62749756112023 0.20970634833806 0.62528291882376 15.999 17 Hf 0.75456658505893 0.11518594230264 0.96414919153455 178.490 18 Hf 0.25456658505893 0.38481405769736 0.03585080846545 178.490 19 Hf 0.74543341494107 0.88481405769736 0.46414919153455 178.490 20 Hf 0.24543341494107 0.61518594230264 0.53585080846545 178.490 21 Hf 0.24543341494107 0.88481405769736 0.03585080846545 178.490 22 Hf 0.74543341494107 0.61518594230264 0.96414919153455 178.490 23 Hf 0.25456658505893 0.11518594230264 0.53585080846545 178.490 24 Hf 0.75456658505893 0.38481405769736 0.46414919153455 178.490 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.048640260000001 0.000000000000000 0.000000000000000 b 0.000000000000000 9.944307550000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.392656360000002 Atomic positions (fractional): 1 O 0.49880143521637 0.47677780683623 0.38076359857707 15.999 > 1 2 O 0.99880143521637 0.47677780683623 0.38076359857707 15.999 > 1 3 O 0.49880143521637 0.47677780683623 0.88076359857707 15.999 > 1 4 O 0.99880143521637 0.47677780683623 0.88076359857707 15.999 > 1 5 O 0.24880143521637 0.02322219316377 0.11923640142293 15.999 > 5 6 O 0.74880143521637 0.02322219316377 0.11923640142293 15.999 > 5 7 O 0.24880143521637 0.02322219316377 0.61923640142293 15.999 > 5 8 O 0.74880143521637 0.02322219316377 0.61923640142293 15.999 > 5 9 O 0.25119856478363 0.52322219316377 0.13076359857707 15.999 > 9 10 O 0.75119856478363 0.52322219316377 0.13076359857707 15.999 > 9 11 O 0.25119856478363 0.52322219316377 0.63076359857707 15.999 > 9 12 O 0.75119856478363 0.52322219316377 0.63076359857707 15.999 > 9 13 O 0.00119856478363 0.97677780683623 0.36923640142293 15.999 > 13 14 O 0.50119856478363 0.97677780683623 0.36923640142293 15.999 > 13 15 O 0.00119856478363 0.97677780683623 0.86923640142293 15.999 > 13 16 O 0.50119856478363 0.97677780683623 0.86923640142293 15.999 > 13 17 O 0.00119856478363 0.52322219316377 0.11923640142293 15.999 > 17 18 O 0.50119856478363 0.52322219316377 0.11923640142293 15.999 > 17 19 O 0.00119856478363 0.52322219316377 0.61923640142293 15.999 > 17 20 O 0.50119856478363 0.52322219316377 0.61923640142293 15.999 > 17 21 O 0.25119856478363 0.97677780683623 0.38076359857707 15.999 > 21 22 O 0.75119856478363 0.97677780683623 0.38076359857707 15.999 > 21 23 O 0.25119856478363 0.97677780683623 0.88076359857707 15.999 > 21 24 O 0.75119856478363 0.97677780683623 0.88076359857707 15.999 > 21 25 O 0.24880143521637 0.47677780683623 0.36923640142293 15.999 > 25 26 O 0.74880143521637 0.47677780683623 0.36923640142293 15.999 > 25 27 O 0.24880143521637 0.47677780683623 0.86923640142293 15.999 > 25 28 O 0.74880143521637 0.47677780683623 0.86923640142293 15.999 > 25 29 O 0.49880143521637 0.02322219316377 0.13076359857707 15.999 > 29 30 O 0.99880143521637 0.02322219316377 0.13076359857707 15.999 > 29 31 O 0.49880143521637 0.02322219316377 0.63076359857707 15.999 > 29 32 O 0.99880143521637 0.02322219316377 0.63076359857707 15.999 > 29 33 O 0.31374878056011 0.29029365166194 0.06264145941188 15.999 > 33 34 O 0.81374878056011 0.29029365166194 0.06264145941188 15.999 > 33 35 O 0.31374878056011 0.29029365166194 0.56264145941188 15.999 > 33 36 O 0.81374878056011 0.29029365166194 0.56264145941188 15.999 > 33 37 O 0.06374878056011 0.20970634833806 0.43735854058812 15.999 > 37 38 O 0.56374878056011 0.20970634833806 0.43735854058812 15.999 > 37 39 O 0.06374878056011 0.20970634833806 0.93735854058812 15.999 > 37 40 O 0.56374878056011 0.20970634833806 0.93735854058812 15.999 > 37 41 O 0.43625121943989 0.70970634833806 0.31264145941188 15.999 > 41 42 O 0.93625121943989 0.70970634833806 0.31264145941188 15.999 > 41 43 O 0.43625121943989 0.70970634833806 0.81264145941188 15.999 > 41 44 O 0.93625121943989 0.70970634833806 0.81264145941188 15.999 > 41 45 O 0.18625121943989 0.79029365166194 0.18735854058812 15.999 > 45 46 O 0.68625121943989 0.79029365166194 0.18735854058812 15.999 > 45 47 O 0.18625121943989 0.79029365166194 0.68735854058812 15.999 > 45 48 O 0.68625121943989 0.79029365166194 0.68735854058812 15.999 > 45 49 O 0.18625121943989 0.70970634833806 0.43735854058812 15.999 > 49 50 O 0.68625121943989 0.70970634833806 0.43735854058812 15.999 > 49 51 O 0.18625121943989 0.70970634833806 0.93735854058812 15.999 > 49 52 O 0.68625121943989 0.70970634833806 0.93735854058812 15.999 > 49 53 O 0.43625121943989 0.79029365166194 0.06264145941188 15.999 > 53 54 O 0.93625121943989 0.79029365166194 0.06264145941188 15.999 > 53 55 O 0.43625121943989 0.79029365166194 0.56264145941188 15.999 > 53 56 O 0.93625121943989 0.79029365166194 0.56264145941188 15.999 > 53 57 O 0.06374878056011 0.29029365166194 0.18735854058812 15.999 > 57 58 O 0.56374878056011 0.29029365166194 0.18735854058812 15.999 > 57 59 O 0.06374878056011 0.29029365166194 0.68735854058812 15.999 > 57 60 O 0.56374878056011 0.29029365166194 0.68735854058812 15.999 > 57 61 O 0.31374878056011 0.20970634833806 0.31264145941188 15.999 > 61 62 O 0.81374878056011 0.20970634833806 0.31264145941188 15.999 > 61 63 O 0.31374878056011 0.20970634833806 0.81264145941188 15.999 > 61 64 O 0.81374878056011 0.20970634833806 0.81264145941188 15.999 > 61 65 Hf 0.37728329252947 0.11518594230264 0.48207459576728 178.490 > 65 66 Hf 0.87728329252947 0.11518594230264 0.48207459576728 178.490 > 65 67 Hf 0.37728329252947 0.11518594230264 0.98207459576728 178.490 > 65 68 Hf 0.87728329252947 0.11518594230264 0.98207459576728 178.490 > 65 69 Hf 0.12728329252947 0.38481405769736 0.01792540423272 178.490 > 69 70 Hf 0.62728329252947 0.38481405769736 0.01792540423272 178.490 > 69 71 Hf 0.12728329252947 0.38481405769736 0.51792540423272 178.490 > 69 72 Hf 0.62728329252947 0.38481405769736 0.51792540423272 178.490 > 69 73 Hf 0.37271670747053 0.88481405769736 0.23207459576728 178.490 > 73 74 Hf 0.87271670747053 0.88481405769736 0.23207459576728 178.490 > 73 75 Hf 0.37271670747053 0.88481405769736 0.73207459576728 178.490 > 73 76 Hf 0.87271670747053 0.88481405769736 0.73207459576728 178.490 > 73 77 Hf 0.12271670747053 0.61518594230264 0.26792540423272 178.490 > 77 78 Hf 0.62271670747053 0.61518594230264 0.26792540423272 178.490 > 77 79 Hf 0.12271670747053 0.61518594230264 0.76792540423272 178.490 > 77 80 Hf 0.62271670747053 0.61518594230264 0.76792540423272 178.490 > 77 81 Hf 0.12271670747053 0.88481405769736 0.01792540423272 178.490 > 81 82 Hf 0.62271670747053 0.88481405769736 0.01792540423272 178.490 > 81 83 Hf 0.12271670747053 0.88481405769736 0.51792540423272 178.490 > 81 84 Hf 0.62271670747053 0.88481405769736 0.51792540423272 178.490 > 81 85 Hf 0.37271670747053 0.61518594230264 0.48207459576728 178.490 > 85 86 Hf 0.87271670747053 0.61518594230264 0.48207459576728 178.490 > 85 87 Hf 0.37271670747053 0.61518594230264 0.98207459576728 178.490 > 85 88 Hf 0.87271670747053 0.61518594230264 0.98207459576728 178.490 > 85 89 Hf 0.12728329252947 0.11518594230264 0.26792540423272 178.490 > 89 90 Hf 0.62728329252947 0.11518594230264 0.26792540423272 178.490 > 89 91 Hf 0.12728329252947 0.11518594230264 0.76792540423272 178.490 > 89 92 Hf 0.62728329252947 0.11518594230264 0.76792540423272 178.490 > 89 93 Hf 0.37728329252947 0.38481405769736 0.23207459576728 178.490 > 93 94 Hf 0.87728329252947 0.38481405769736 0.23207459576728 178.490 > 93 95 Hf 0.37728329252947 0.38481405769736 0.73207459576728 178.490 > 93 96 Hf 0.87728329252947 0.38481405769736 0.73207459576728 178.490 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.9768503 0.0000000 0.0000000 0.0000000 5.2200748 0.0000000 0.0000000 0.0000000 5.0949230 -------------------------- Born effective charges -------------------------- 1 O -2.4973286 0.0305996 -0.3294115 0.0789242 -2.4908712 0.0454070 -0.2872215 0.0151225 -2.7327224 2 O -2.4973286 -0.0305996 0.3294115 -0.0789242 -2.4908712 0.0454070 0.2872215 0.0151225 -2.7327224 3 O -2.4973286 0.0305996 0.3294115 0.0789242 -2.4908712 -0.0454070 0.2872215 -0.0151225 -2.7327224 4 O -2.4973286 -0.0305996 -0.3294115 -0.0789242 -2.4908712 -0.0454070 -0.2872215 -0.0151225 -2.7327224 5 O -2.4973286 0.0305996 -0.3294115 0.0789242 -2.4908712 0.0454070 -0.2872215 0.0151225 -2.7327224 6 O -2.4973286 -0.0305996 0.3294115 -0.0789242 -2.4908712 0.0454070 0.2872215 0.0151225 -2.7327224 7 O -2.4973286 0.0305996 0.3294115 0.0789242 -2.4908712 -0.0454070 0.2872215 -0.0151225 -2.7327224 8 O -2.4973286 -0.0305996 -0.3294115 -0.0789242 -2.4908712 -0.0454070 -0.2872215 -0.0151225 -2.7327224 9 O -2.4379469 0.5802243 -0.3288215 0.6400113 -2.9434717 -0.7829610 -0.3318941 -0.9680379 -2.5381907 10 O -2.4379469 -0.5802243 0.3288215 -0.6400113 -2.9434717 -0.7829610 0.3318941 -0.9680379 -2.5381907 11 O -2.4379469 0.5802243 0.3288215 0.6400113 -2.9434717 0.7829610 0.3318941 0.9680379 -2.5381907 12 O -2.4379469 -0.5802243 -0.3288215 -0.6400113 -2.9434717 0.7829610 -0.3318941 0.9680379 -2.5381907 13 O -2.4379469 0.5802243 -0.3288215 0.6400113 -2.9434717 -0.7829610 -0.3318941 -0.9680379 -2.5381907 14 O -2.4379469 -0.5802243 0.3288215 -0.6400113 -2.9434717 -0.7829610 0.3318941 -0.9680379 -2.5381907 15 O -2.4379469 0.5802243 0.3288215 0.6400113 -2.9434717 0.7829610 0.3318941 0.9680379 -2.5381907 16 O -2.4379469 -0.5802243 -0.3288215 -0.6400113 -2.9434717 0.7829610 -0.3318941 0.9680379 -2.5381907 17 Hf 4.9352755 -0.2542995 -0.0352630 -0.0493461 5.4343430 -0.3826749 -0.1247209 -0.0179332 5.2709131 18 Hf 4.9352755 0.2542995 0.0352630 0.0493461 5.4343430 -0.3826749 0.1247209 -0.0179332 5.2709131 19 Hf 4.9352755 -0.2542995 0.0352630 -0.0493461 5.4343430 0.3826749 0.1247209 0.0179332 5.2709131 20 Hf 4.9352755 0.2542995 -0.0352630 0.0493461 5.4343430 0.3826749 -0.1247209 0.0179332 5.2709131 21 Hf 4.9352755 -0.2542995 -0.0352630 -0.0493461 5.4343430 -0.3826749 -0.1247209 -0.0179332 5.2709131 22 Hf 4.9352755 0.2542995 0.0352630 0.0493461 5.4343430 -0.3826749 0.1247209 -0.0179332 5.2709131 23 Hf 4.9352755 -0.2542995 0.0352630 -0.0493461 5.4343430 0.3826749 0.1247209 0.0179332 5.2709131 24 Hf 4.9352755 0.2542995 -0.0352630 0.0493461 5.4343430 0.3826749 -0.1247209 0.0179332 5.2709131 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000003 (xxx) 0.00000003 (xxx) 0.00000003 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (yx) -0.00000001 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:00:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:00:13]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.024320130000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.944307550000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.196328180000001 Atomic positions (fractional): 1 O 0.99760287043274 0.47677780683623 0.76152719715414 15.999 2 O 0.49760287043274 0.02322219316377 0.23847280284586 15.999 3 O 0.50239712956726 0.52322219316377 0.26152719715414 15.999 4 O 0.00239712956726 0.97677780683623 0.73847280284586 15.999 5 O 0.00239712956726 0.52322219316377 0.23847280284586 15.999 6 O 0.50239712956726 0.97677780683623 0.76152719715414 15.999 7 O 0.49760287043274 0.47677780683623 0.73847280284586 15.999 8 O 0.99760287043274 0.02322219316377 0.26152719715414 15.999 9 O 0.62749756112023 0.29029365166194 0.12528291882376 15.999 10 O 0.12749756112023 0.20970634833806 0.87471708117624 15.999 11 O 0.87250243887977 0.70970634833806 0.62528291882376 15.999 12 O 0.37250243887977 0.79029365166194 0.37471708117624 15.999 13 O 0.37250243887977 0.70970634833806 0.87471708117624 15.999 14 O 0.87250243887977 0.79029365166194 0.12528291882376 15.999 15 O 0.12749756112023 0.29029365166194 0.37471708117624 15.999 16 O 0.62749756112023 0.20970634833806 0.62528291882376 15.999 17 Hf 0.75456658505893 0.11518594230264 0.96414919153455 178.490 18 Hf 0.25456658505893 0.38481405769736 0.03585080846545 178.490 19 Hf 0.74543341494107 0.88481405769736 0.46414919153455 178.490 20 Hf 0.24543341494107 0.61518594230264 0.53585080846545 178.490 21 Hf 0.24543341494107 0.88481405769736 0.03585080846545 178.490 22 Hf 0.74543341494107 0.61518594230264 0.96414919153455 178.490 23 Hf 0.25456658505893 0.11518594230264 0.53585080846545 178.490 24 Hf 0.75456658505893 0.38481405769736 0.46414919153455 178.490 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.048640260000001 0.000000000000000 0.000000000000000 b 0.000000000000000 9.944307550000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.392656360000002 Atomic positions (fractional): 1 O 0.49880143521637 0.47677780683623 0.38076359857707 15.999 > 1 2 O 0.99880143521637 0.47677780683623 0.38076359857707 15.999 > 1 3 O 0.49880143521637 0.47677780683623 0.88076359857707 15.999 > 1 4 O 0.99880143521637 0.47677780683623 0.88076359857707 15.999 > 1 5 O 0.24880143521637 0.02322219316377 0.11923640142293 15.999 > 5 6 O 0.74880143521637 0.02322219316377 0.11923640142293 15.999 > 5 7 O 0.24880143521637 0.02322219316377 0.61923640142293 15.999 > 5 8 O 0.74880143521637 0.02322219316377 0.61923640142293 15.999 > 5 9 O 0.25119856478363 0.52322219316377 0.13076359857707 15.999 > 9 10 O 0.75119856478363 0.52322219316377 0.13076359857707 15.999 > 9 11 O 0.25119856478363 0.52322219316377 0.63076359857707 15.999 > 9 12 O 0.75119856478363 0.52322219316377 0.63076359857707 15.999 > 9 13 O 0.00119856478363 0.97677780683623 0.36923640142293 15.999 > 13 14 O 0.50119856478363 0.97677780683623 0.36923640142293 15.999 > 13 15 O 0.00119856478363 0.97677780683623 0.86923640142293 15.999 > 13 16 O 0.50119856478363 0.97677780683623 0.86923640142293 15.999 > 13 17 O 0.00119856478363 0.52322219316377 0.11923640142293 15.999 > 17 18 O 0.50119856478363 0.52322219316377 0.11923640142293 15.999 > 17 19 O 0.00119856478363 0.52322219316377 0.61923640142293 15.999 > 17 20 O 0.50119856478363 0.52322219316377 0.61923640142293 15.999 > 17 21 O 0.25119856478363 0.97677780683623 0.38076359857707 15.999 > 21 22 O 0.75119856478363 0.97677780683623 0.38076359857707 15.999 > 21 23 O 0.25119856478363 0.97677780683623 0.88076359857707 15.999 > 21 24 O 0.75119856478363 0.97677780683623 0.88076359857707 15.999 > 21 25 O 0.24880143521637 0.47677780683623 0.36923640142293 15.999 > 25 26 O 0.74880143521637 0.47677780683623 0.36923640142293 15.999 > 25 27 O 0.24880143521637 0.47677780683623 0.86923640142293 15.999 > 25 28 O 0.74880143521637 0.47677780683623 0.86923640142293 15.999 > 25 29 O 0.49880143521637 0.02322219316377 0.13076359857707 15.999 > 29 30 O 0.99880143521637 0.02322219316377 0.13076359857707 15.999 > 29 31 O 0.49880143521637 0.02322219316377 0.63076359857707 15.999 > 29 32 O 0.99880143521637 0.02322219316377 0.63076359857707 15.999 > 29 33 O 0.31374878056011 0.29029365166194 0.06264145941188 15.999 > 33 34 O 0.81374878056011 0.29029365166194 0.06264145941188 15.999 > 33 35 O 0.31374878056011 0.29029365166194 0.56264145941188 15.999 > 33 36 O 0.81374878056011 0.29029365166194 0.56264145941188 15.999 > 33 37 O 0.06374878056011 0.20970634833806 0.43735854058812 15.999 > 37 38 O 0.56374878056011 0.20970634833806 0.43735854058812 15.999 > 37 39 O 0.06374878056011 0.20970634833806 0.93735854058812 15.999 > 37 40 O 0.56374878056011 0.20970634833806 0.93735854058812 15.999 > 37 41 O 0.43625121943989 0.70970634833806 0.31264145941188 15.999 > 41 42 O 0.93625121943989 0.70970634833806 0.31264145941188 15.999 > 41 43 O 0.43625121943989 0.70970634833806 0.81264145941188 15.999 > 41 44 O 0.93625121943989 0.70970634833806 0.81264145941188 15.999 > 41 45 O 0.18625121943989 0.79029365166194 0.18735854058812 15.999 > 45 46 O 0.68625121943989 0.79029365166194 0.18735854058812 15.999 > 45 47 O 0.18625121943989 0.79029365166194 0.68735854058812 15.999 > 45 48 O 0.68625121943989 0.79029365166194 0.68735854058812 15.999 > 45 49 O 0.18625121943989 0.70970634833806 0.43735854058812 15.999 > 49 50 O 0.68625121943989 0.70970634833806 0.43735854058812 15.999 > 49 51 O 0.18625121943989 0.70970634833806 0.93735854058812 15.999 > 49 52 O 0.68625121943989 0.70970634833806 0.93735854058812 15.999 > 49 53 O 0.43625121943989 0.79029365166194 0.06264145941188 15.999 > 53 54 O 0.93625121943989 0.79029365166194 0.06264145941188 15.999 > 53 55 O 0.43625121943989 0.79029365166194 0.56264145941188 15.999 > 53 56 O 0.93625121943989 0.79029365166194 0.56264145941188 15.999 > 53 57 O 0.06374878056011 0.29029365166194 0.18735854058812 15.999 > 57 58 O 0.56374878056011 0.29029365166194 0.18735854058812 15.999 > 57 59 O 0.06374878056011 0.29029365166194 0.68735854058812 15.999 > 57 60 O 0.56374878056011 0.29029365166194 0.68735854058812 15.999 > 57 61 O 0.31374878056011 0.20970634833806 0.31264145941188 15.999 > 61 62 O 0.81374878056011 0.20970634833806 0.31264145941188 15.999 > 61 63 O 0.31374878056011 0.20970634833806 0.81264145941188 15.999 > 61 64 O 0.81374878056011 0.20970634833806 0.81264145941188 15.999 > 61 65 Hf 0.37728329252947 0.11518594230264 0.48207459576728 178.490 > 65 66 Hf 0.87728329252947 0.11518594230264 0.48207459576728 178.490 > 65 67 Hf 0.37728329252947 0.11518594230264 0.98207459576728 178.490 > 65 68 Hf 0.87728329252947 0.11518594230264 0.98207459576728 178.490 > 65 69 Hf 0.12728329252947 0.38481405769736 0.01792540423272 178.490 > 69 70 Hf 0.62728329252947 0.38481405769736 0.01792540423272 178.490 > 69 71 Hf 0.12728329252947 0.38481405769736 0.51792540423272 178.490 > 69 72 Hf 0.62728329252947 0.38481405769736 0.51792540423272 178.490 > 69 73 Hf 0.37271670747053 0.88481405769736 0.23207459576728 178.490 > 73 74 Hf 0.87271670747053 0.88481405769736 0.23207459576728 178.490 > 73 75 Hf 0.37271670747053 0.88481405769736 0.73207459576728 178.490 > 73 76 Hf 0.87271670747053 0.88481405769736 0.73207459576728 178.490 > 73 77 Hf 0.12271670747053 0.61518594230264 0.26792540423272 178.490 > 77 78 Hf 0.62271670747053 0.61518594230264 0.26792540423272 178.490 > 77 79 Hf 0.12271670747053 0.61518594230264 0.76792540423272 178.490 > 77 80 Hf 0.62271670747053 0.61518594230264 0.76792540423272 178.490 > 77 81 Hf 0.12271670747053 0.88481405769736 0.01792540423272 178.490 > 81 82 Hf 0.62271670747053 0.88481405769736 0.01792540423272 178.490 > 81 83 Hf 0.12271670747053 0.88481405769736 0.51792540423272 178.490 > 81 84 Hf 0.62271670747053 0.88481405769736 0.51792540423272 178.490 > 81 85 Hf 0.37271670747053 0.61518594230264 0.48207459576728 178.490 > 85 86 Hf 0.87271670747053 0.61518594230264 0.48207459576728 178.490 > 85 87 Hf 0.37271670747053 0.61518594230264 0.98207459576728 178.490 > 85 88 Hf 0.87271670747053 0.61518594230264 0.98207459576728 178.490 > 85 89 Hf 0.12728329252947 0.11518594230264 0.26792540423272 178.490 > 89 90 Hf 0.62728329252947 0.11518594230264 0.26792540423272 178.490 > 89 91 Hf 0.12728329252947 0.11518594230264 0.76792540423272 178.490 > 89 92 Hf 0.62728329252947 0.11518594230264 0.76792540423272 178.490 > 89 93 Hf 0.37728329252947 0.38481405769736 0.23207459576728 178.490 > 93 94 Hf 0.87728329252947 0.38481405769736 0.23207459576728 178.490 > 93 95 Hf 0.37728329252947 0.38481405769736 0.73207459576728 178.490 > 93 96 Hf 0.87728329252947 0.38481405769736 0.73207459576728 178.490 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.9768503 0.0000000 0.0000000 0.0000000 5.2200748 0.0000000 0.0000000 0.0000000 5.0949230 -------------------------- Born effective charges -------------------------- 1 O -2.4973286 0.0305996 -0.3294115 0.0789242 -2.4908712 0.0454070 -0.2872215 0.0151225 -2.7327224 2 O -2.4973286 -0.0305996 0.3294115 -0.0789242 -2.4908712 0.0454070 0.2872215 0.0151225 -2.7327224 3 O -2.4973286 0.0305996 0.3294115 0.0789242 -2.4908712 -0.0454070 0.2872215 -0.0151225 -2.7327224 4 O -2.4973286 -0.0305996 -0.3294115 -0.0789242 -2.4908712 -0.0454070 -0.2872215 -0.0151225 -2.7327224 5 O -2.4973286 0.0305996 -0.3294115 0.0789242 -2.4908712 0.0454070 -0.2872215 0.0151225 -2.7327224 6 O -2.4973286 -0.0305996 0.3294115 -0.0789242 -2.4908712 0.0454070 0.2872215 0.0151225 -2.7327224 7 O -2.4973286 0.0305996 0.3294115 0.0789242 -2.4908712 -0.0454070 0.2872215 -0.0151225 -2.7327224 8 O -2.4973286 -0.0305996 -0.3294115 -0.0789242 -2.4908712 -0.0454070 -0.2872215 -0.0151225 -2.7327224 9 O -2.4379469 0.5802243 -0.3288215 0.6400113 -2.9434717 -0.7829610 -0.3318941 -0.9680379 -2.5381907 10 O -2.4379469 -0.5802243 0.3288215 -0.6400113 -2.9434717 -0.7829610 0.3318941 -0.9680379 -2.5381907 11 O -2.4379469 0.5802243 0.3288215 0.6400113 -2.9434717 0.7829610 0.3318941 0.9680379 -2.5381907 12 O -2.4379469 -0.5802243 -0.3288215 -0.6400113 -2.9434717 0.7829610 -0.3318941 0.9680379 -2.5381907 13 O -2.4379469 0.5802243 -0.3288215 0.6400113 -2.9434717 -0.7829610 -0.3318941 -0.9680379 -2.5381907 14 O -2.4379469 -0.5802243 0.3288215 -0.6400113 -2.9434717 -0.7829610 0.3318941 -0.9680379 -2.5381907 15 O -2.4379469 0.5802243 0.3288215 0.6400113 -2.9434717 0.7829610 0.3318941 0.9680379 -2.5381907 16 O -2.4379469 -0.5802243 -0.3288215 -0.6400113 -2.9434717 0.7829610 -0.3318941 0.9680379 -2.5381907 17 Hf 4.9352755 -0.2542995 -0.0352630 -0.0493461 5.4343430 -0.3826749 -0.1247209 -0.0179332 5.2709131 18 Hf 4.9352755 0.2542995 0.0352630 0.0493461 5.4343430 -0.3826749 0.1247209 -0.0179332 5.2709131 19 Hf 4.9352755 -0.2542995 0.0352630 -0.0493461 5.4343430 0.3826749 0.1247209 0.0179332 5.2709131 20 Hf 4.9352755 0.2542995 -0.0352630 0.0493461 5.4343430 0.3826749 -0.1247209 0.0179332 5.2709131 21 Hf 4.9352755 -0.2542995 -0.0352630 -0.0493461 5.4343430 -0.3826749 -0.1247209 -0.0179332 5.2709131 22 Hf 4.9352755 0.2542995 0.0352630 0.0493461 5.4343430 -0.3826749 0.1247209 -0.0179332 5.2709131 23 Hf 4.9352755 -0.2542995 0.0352630 -0.0493461 5.4343430 0.3826749 0.1247209 0.0179332 5.2709131 24 Hf 4.9352755 0.2542995 -0.0352630 0.0493461 5.4343430 0.3826749 -0.1247209 0.0179332 5.2709131 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (xxx) 0.00000003 (xxx) 0.00000003 (xxx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 5 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.65, Number of G-points: 305, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/108) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.440 ( 0.000 0.000 0.000) 0.000 2.715 ( 0.000 0.000 0.000) 0.000 3.345 ( 0.000 0.000 0.000) 0.000 3.352 ( 0.000 0.000 0.000) 0.000 3.814 ( 0.000 0.000 0.000) 0.000 3.814 ( 0.000 0.000 0.000) 0.000 3.948 ( 0.000 0.000 0.000) 0.000 4.060 ( 0.000 0.000 0.000) 0.000 4.106 ( 0.000 0.000 0.000) 0.000 4.228 ( 0.000 0.000 0.000) 0.000 4.481 ( 0.000 0.000 0.000) 0.000 4.744 ( 0.000 0.000 0.000) 0.000 5.086 ( 0.000 0.000 0.000) 0.000 5.497 ( 0.000 0.000 0.000) 0.000 5.598 ( 0.000 0.000 0.000) 0.000 5.808 ( 0.000 0.000 0.000) 0.000 5.964 ( 0.000 0.000 0.000) 0.000 5.978 ( 0.000 0.000 0.000) 0.000 6.457 ( 0.000 0.000 0.000) 0.000 6.549 ( 0.000 0.000 0.000) 0.000 7.214 ( 0.000 0.000 0.000) 0.000 7.369 ( 0.000 0.000 0.000) 0.000 7.632 ( 0.000 0.000 0.000) 0.000 7.683 ( 0.000 0.000 0.000) 0.000 7.711 ( 0.000 0.000 0.000) 0.000 8.187 ( 0.000 0.000 0.000) 0.000 9.272 ( 0.000 0.000 0.000) 0.000 9.284 ( 0.000 0.000 0.000) 0.000 9.306 ( 0.000 0.000 0.000) 0.000 9.611 ( 0.000 0.000 0.000) 0.000 9.826 ( 0.000 0.000 0.000) 0.000 10.034 ( 0.000 0.000 0.000) 0.000 10.218 ( 0.000 0.000 0.000) 0.000 10.225 ( 0.000 0.000 0.000) 0.000 10.588 ( 0.000 0.000 0.000) 0.000 11.081 ( 0.000 0.000 0.000) 0.000 11.161 ( 0.000 0.000 0.000) 0.000 11.225 ( 0.000 0.000 0.000) 0.000 11.288 ( 0.000 0.000 0.000) 0.000 11.833 ( 0.000 0.000 0.000) 0.000 12.192 ( 0.000 0.000 0.000) 0.000 12.301 ( 0.000 0.000 0.000) 0.000 12.662 ( 0.000 0.000 0.000) 0.000 12.768 ( 0.000 0.000 0.000) 0.000 12.944 ( 0.000 0.000 0.000) 0.000 13.611 ( 0.000 0.000 0.000) 0.000 13.844 ( 0.000 0.000 0.000) 0.000 14.290 ( 0.000 0.000 0.000) 0.000 14.778 ( 0.000 0.000 0.000) 0.000 14.938 ( 0.000 0.000 0.000) 0.000 15.370 ( 0.000 0.000 0.000) 0.000 15.768 ( 0.000 0.000 0.000) 0.000 16.957 ( 0.000 0.000 0.000) 0.000 17.027 ( 0.000 0.000 0.000) 0.000 17.040 ( 0.000 0.000 0.000) 0.000 17.223 ( 0.000 0.000 0.000) 0.000 17.328 ( 0.000 0.000 0.000) 0.000 17.404 ( 0.000 0.000 0.000) 0.000 18.397 ( 0.000 0.000 0.000) 0.000 18.412 ( 0.000 0.000 0.000) 0.000 18.543 ( 0.000 0.000 0.000) 0.000 19.245 ( 0.000 0.000 0.000) 0.000 19.645 ( 0.000 0.000 0.000) 0.000 20.599 ( 0.000 0.000 0.000) 0.000 20.601 ( 0.000 0.000 0.000) 0.000 20.920 ( 0.000 0.000 0.000) 0.000 21.762 ( 0.000 0.000 0.000) 0.000 21.829 ( 0.000 0.000 0.000) 0.000 23.359 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/108) ======================= q-point: ( 0.10 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( 31.186 0.000 0.000) 31.186 0.632 ( 31.291 0.000 0.000) 31.291 1.194 ( 59.358 0.000 0.000) 59.358 2.508 ( 6.013 0.000 0.000) 6.013 2.780 ( 6.408 0.000 0.000) 6.408 3.371 ( 1.996 0.000 0.000) 1.996 3.437 ( 7.999 0.000 0.000) 7.999 3.705 ( -9.826 0.000 0.000) 9.826 3.713 ( -5.648 0.000 0.000) 5.648 4.044 ( -2.115 0.000 0.000) 2.115 4.049 ( -5.544 0.000 0.000) 5.544 4.126 ( 13.719 0.000 0.000) 13.719 4.207 ( -2.194 0.000 0.000) 2.194 4.426 ( -4.407 0.000 0.000) 4.407 4.873 ( 11.318 0.000 0.000) 11.318 5.125 ( 3.704 0.000 0.000) 3.704 5.515 ( -9.356 0.000 0.000) 9.356 5.599 ( 0.114 0.000 0.000) 0.114 5.727 ( -7.558 0.000 0.000) 7.558 5.828 ( -4.146 0.000 0.000) 4.146 6.429 ( -2.717 0.000 0.000) 2.717 6.488 ( 24.779 0.000 0.000) 24.779 6.932 ( 1.380 0.000 0.000) 1.380 7.197 ( -2.057 0.000 0.000) 2.057 7.288 ( -8.245 0.000 0.000) 8.245 7.620 ( -0.605 0.000 0.000) 0.605 7.676 ( -0.424 0.000 0.000) 0.424 7.754 ( 4.194 0.000 0.000) 4.194 8.177 ( -0.996 0.000 0.000) 0.996 9.058 ( -12.605 0.000 0.000) 12.605 9.305 ( 1.224 0.000 0.000) 1.224 9.475 ( 8.049 0.000 0.000) 8.049 9.831 ( 18.602 0.000 0.000) 18.602 9.973 ( 13.189 0.000 0.000) 13.189 10.068 ( 3.273 0.000 0.000) 3.273 10.327 ( 10.020 0.000 0.000) 10.020 10.445 ( 22.281 0.000 0.000) 22.281 11.047 ( -1.915 0.000 0.000) 1.915 11.167 ( 0.381 0.000 0.000) 0.381 11.269 ( 4.570 0.000 0.000) 4.570 11.286 ( -0.126 0.000 0.000) 0.126 11.977 ( 14.535 0.000 0.000) 14.535 12.093 ( 9.355 0.000 0.000) 9.355 12.289 ( -1.391 0.000 0.000) 1.391 12.574 ( -7.119 0.000 0.000) 7.119 12.788 ( 2.399 0.000 0.000) 2.399 13.003 ( 3.982 0.000 0.000) 3.982 13.632 ( 2.397 0.000 0.000) 2.397 13.834 ( -0.935 0.000 0.000) 0.935 14.237 ( -5.152 0.000 0.000) 5.152 14.781 ( 0.444 0.000 0.000) 0.444 14.927 ( -1.089 0.000 0.000) 1.089 15.314 ( -5.298 0.000 0.000) 5.298 15.773 ( 0.476 0.000 0.000) 0.476 16.336 ( -1.199 0.000 0.000) 1.199 16.981 ( 2.288 0.000 0.000) 2.288 17.053 ( 1.324 0.000 0.000) 1.324 17.263 ( 4.086 0.000 0.000) 4.086 17.277 ( -5.328 0.000 0.000) 5.328 17.355 ( -4.678 0.000 0.000) 4.678 18.246 ( -11.844 0.000 0.000) 11.844 18.455 ( 0.792 0.000 0.000) 0.792 18.475 ( -6.322 0.000 0.000) 6.322 19.258 ( 4.211 0.000 0.000) 4.211 19.557 ( -8.855 0.000 0.000) 8.855 19.697 ( 0.673 0.000 0.000) 0.673 20.524 ( -7.075 0.000 0.000) 7.075 20.595 ( -0.028 0.000 0.000) 0.028 20.926 ( 0.003 0.000 0.000) 0.003 21.723 ( -3.859 0.000 0.000) 3.859 21.867 ( 3.507 0.000 0.000) 3.507 23.256 ( -9.871 0.000 0.000) 9.871 ======================= Grid point 2 (3/108) ======================= q-point: ( 0.20 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 29.041 0.000 0.000) 29.041 1.236 ( 30.152 0.000 0.000) 30.152 2.350 ( 56.416 0.000 0.000) 56.416 2.637 ( 6.276 0.000 0.000) 6.276 2.962 ( 11.517 0.000 0.000) 11.517 3.392 ( -0.512 0.000 0.000) 0.512 3.460 ( -14.111 0.000 0.000) 14.111 3.530 ( -3.299 0.000 0.000) 3.299 3.746 ( 13.265 0.000 0.000) 13.265 3.894 ( -9.769 0.000 0.000) 9.769 3.971 ( -5.006 0.000 0.000) 5.006 4.138 ( -4.697 0.000 0.000) 4.697 4.317 ( -6.676 0.000 0.000) 6.676 4.457 ( 19.223 0.000 0.000) 19.223 5.153 ( 16.178 0.000 0.000) 16.178 5.187 ( -0.659 0.000 0.000) 0.659 5.377 ( -3.728 0.000 0.000) 3.728 5.572 ( -4.657 0.000 0.000) 4.657 5.603 ( 0.272 0.000 0.000) 0.272 5.743 ( -5.688 0.000 0.000) 5.688 6.358 ( -4.096 0.000 0.000) 4.096 6.909 ( -4.761 0.000 0.000) 4.761 6.997 ( 24.887 0.000 0.000) 24.887 7.039 ( -16.707 0.000 0.000) 16.707 7.117 ( -6.193 0.000 0.000) 6.193 7.651 ( 4.772 0.000 0.000) 4.772 7.678 ( 0.876 0.000 0.000) 0.876 7.866 ( 6.728 0.000 0.000) 6.728 8.148 ( -1.847 0.000 0.000) 1.847 8.790 ( -14.204 0.000 0.000) 14.204 9.324 ( 1.027 0.000 0.000) 1.027 9.607 ( 5.084 0.000 0.000) 5.084 10.115 ( 7.330 0.000 0.000) 7.330 10.152 ( 4.749 0.000 0.000) 4.749 10.265 ( 14.757 0.000 0.000) 14.757 10.682 ( 19.952 0.000 0.000) 19.952 11.012 ( 26.380 0.000 0.000) 26.380 11.124 ( 14.295 0.000 0.000) 14.295 11.165 ( -0.925 0.000 0.000) 0.925 11.286 ( 0.323 0.000 0.000) 0.323 11.478 ( 21.983 0.000 0.000) 21.983 12.237 ( -4.117 0.000 0.000) 4.117 12.331 ( 13.881 0.000 0.000) 13.881 12.390 ( 25.772 0.000 0.000) 25.772 12.425 ( -7.285 0.000 0.000) 7.285 12.908 ( 11.835 0.000 0.000) 11.835 13.048 ( -0.203 0.000 0.000) 0.203 13.725 ( 7.532 0.000 0.000) 7.532 13.815 ( -0.649 0.000 0.000) 0.649 14.097 ( -8.664 0.000 0.000) 8.664 14.805 ( 2.323 0.000 0.000) 2.323 14.901 ( -1.117 0.000 0.000) 1.117 15.181 ( -7.416 0.000 0.000) 7.416 15.791 ( 1.550 0.000 0.000) 1.550 16.289 ( -3.894 0.000 0.000) 3.894 17.043 ( 3.781 0.000 0.000) 3.781 17.089 ( 2.133 0.000 0.000) 2.133 17.101 ( -12.744 0.000 0.000) 12.744 17.227 ( -8.074 0.000 0.000) 8.074 17.383 ( 7.772 0.000 0.000) 7.772 17.916 ( -21.482 0.000 0.000) 21.482 18.322 ( -8.161 0.000 0.000) 8.161 18.447 ( -1.507 0.000 0.000) 1.507 19.297 ( -16.890 0.000 0.000) 16.890 19.365 ( 6.104 0.000 0.000) 6.104 19.732 ( 3.283 0.000 0.000) 3.283 20.345 ( -10.453 0.000 0.000) 10.453 20.614 ( 2.200 0.000 0.000) 2.200 20.898 ( -3.195 0.000 0.000) 3.195 21.610 ( -7.403 0.000 0.000) 7.403 21.951 ( 4.630 0.000 0.000) 4.630 22.997 ( -15.172 0.000 0.000) 15.172 ======================= Grid point 3 (4/108) ======================= q-point: ( 0.30 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 24.922 0.000 0.000) 24.922 1.818 ( 28.120 0.000 0.000) 28.120 2.759 ( 6.594 0.000 0.000) 6.594 3.143 ( -11.171 0.000 0.000) 11.171 3.238 ( 8.876 0.000 0.000) 8.876 3.331 ( -0.789 0.000 0.000) 0.789 3.423 ( 42.725 0.000 0.000) 42.725 3.438 ( -4.465 0.000 0.000) 4.465 3.686 ( -7.105 0.000 0.000) 7.105 3.855 ( -6.177 0.000 0.000) 6.177 4.031 ( -5.605 0.000 0.000) 5.605 4.096 ( 20.129 0.000 0.000) 20.129 4.169 ( -7.477 0.000 0.000) 7.477 4.872 ( 21.803 0.000 0.000) 21.803 4.999 ( -16.128 0.000 0.000) 16.128 5.362 ( 1.635 0.000 0.000) 1.635 5.495 ( 17.553 0.000 0.000) 17.553 5.580 ( -10.873 0.000 0.000) 10.873 5.611 ( 0.606 0.000 0.000) 0.606 5.631 ( 8.011 0.000 0.000) 8.011 6.278 ( -3.503 0.000 0.000) 3.503 6.626 ( -24.669 0.000 0.000) 24.669 6.710 ( -14.438 0.000 0.000) 14.438 6.948 ( -10.691 0.000 0.000) 10.691 7.451 ( 19.522 0.000 0.000) 19.522 7.719 ( 3.386 0.000 0.000) 3.386 7.808 ( 10.171 0.000 0.000) 10.171 8.001 ( 6.040 0.000 0.000) 6.040 8.105 ( -2.293 0.000 0.000) 2.293 8.501 ( -14.517 0.000 0.000) 14.517 9.361 ( 3.037 0.000 0.000) 3.037 9.671 ( 1.157 0.000 0.000) 1.157 10.181 ( 0.927 0.000 0.000) 0.927 10.236 ( 3.139 0.000 0.000) 3.139 10.534 ( 11.939 0.000 0.000) 11.939 10.959 ( 11.546 0.000 0.000) 11.546 11.120 ( -3.704 0.000 0.000) 3.704 11.309 ( 2.145 0.000 0.000) 2.145 11.340 ( 12.387 0.000 0.000) 12.387 11.531 ( 17.327 0.000 0.000) 17.327 12.114 ( -8.274 0.000 0.000) 8.274 12.126 ( 31.773 0.000 0.000) 31.773 12.290 ( -6.467 0.000 0.000) 6.467 12.634 ( 16.688 0.000 0.000) 16.688 12.981 ( -6.338 0.000 0.000) 6.338 12.983 ( 34.908 0.000 0.000) 34.908 13.369 ( 36.014 0.000 0.000) 36.014 13.818 ( 1.038 0.000 0.000) 1.038 13.900 ( -11.084 0.000 0.000) 11.084 13.939 ( 13.037 0.000 0.000) 13.037 14.886 ( 6.037 0.000 0.000) 6.037 14.919 ( 4.437 0.000 0.000) 4.437 15.042 ( -6.233 0.000 0.000) 6.233 15.849 ( 4.839 0.000 0.000) 4.839 16.170 ( -8.145 0.000 0.000) 8.145 16.756 ( -22.193 0.000 0.000) 22.193 17.033 ( -11.702 0.000 0.000) 11.702 17.121 ( 3.771 0.000 0.000) 3.771 17.127 ( 0.532 0.000 0.000) 0.532 17.393 ( -30.003 0.000 0.000) 30.003 17.568 ( 10.698 0.000 0.000) 10.698 18.185 ( -4.895 0.000 0.000) 4.895 18.395 ( -3.657 0.000 0.000) 3.657 18.908 ( -21.445 0.000 0.000) 21.445 19.483 ( 5.481 0.000 0.000) 5.481 19.849 ( 8.798 0.000 0.000) 8.798 20.124 ( -11.361 0.000 0.000) 11.361 20.687 ( 5.161 0.000 0.000) 5.161 20.791 ( -7.532 0.000 0.000) 7.532 21.434 ( -10.128 0.000 0.000) 10.128 22.042 ( 4.456 0.000 0.000) 4.456 22.691 ( -14.766 0.000 0.000) 14.766 ======================= Grid point 4 (5/108) ======================= q-point: ( 0.40 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( 19.073 0.000 0.000) 19.073 2.349 ( 25.119 0.000 0.000) 25.119 2.847 ( -15.118 0.000 0.000) 15.118 2.928 ( 10.866 0.000 0.000) 10.866 3.164 ( -13.494 0.000 0.000) 13.494 3.372 ( -1.954 0.000 0.000) 1.954 3.380 ( -2.405 0.000 0.000) 2.405 3.449 ( -7.222 0.000 0.000) 7.222 3.806 ( 4.187 0.000 0.000) 4.187 3.934 ( -3.765 0.000 0.000) 3.765 4.066 ( -0.879 0.000 0.000) 0.879 4.416 ( 44.963 0.000 0.000) 44.963 4.516 ( 21.444 0.000 0.000) 21.444 4.629 ( -19.983 0.000 0.000) 19.983 5.270 ( 15.048 0.000 0.000) 15.048 5.309 ( -15.520 0.000 0.000) 15.520 5.421 ( 3.347 0.000 0.000) 3.347 5.652 ( 5.391 0.000 0.000) 5.391 5.795 ( 7.425 0.000 0.000) 7.425 5.809 ( 11.990 0.000 0.000) 11.990 6.070 ( -30.275 0.000 0.000) 30.275 6.248 ( 2.052 0.000 0.000) 2.052 6.365 ( -19.609 0.000 0.000) 19.609 6.700 ( -13.923 0.000 0.000) 13.923 7.754 ( 11.194 0.000 0.000) 11.194 7.819 ( 6.714 0.000 0.000) 6.714 8.012 ( 9.013 0.000 0.000) 9.013 8.023 ( -3.625 0.000 0.000) 3.625 8.119 ( 2.925 0.000 0.000) 2.925 8.223 ( -13.139 0.000 0.000) 13.139 9.447 ( 5.390 0.000 0.000) 5.390 9.652 ( -3.011 0.000 0.000) 3.011 10.197 ( 1.282 0.000 0.000) 1.282 10.264 ( -0.318 0.000 0.000) 0.318 10.736 ( 8.615 0.000 0.000) 8.615 11.021 ( -5.992 0.000 0.000) 5.992 11.198 ( 11.995 0.000 0.000) 11.995 11.369 ( 3.362 0.000 0.000) 3.362 11.611 ( 14.940 0.000 0.000) 14.940 11.705 ( 2.346 0.000 0.000) 2.346 11.918 ( -10.791 0.000 0.000) 10.791 12.144 ( -9.081 0.000 0.000) 9.081 12.535 ( 11.264 0.000 0.000) 11.264 12.827 ( -8.025 0.000 0.000) 8.025 12.988 ( 18.321 0.000 0.000) 18.321 13.652 ( -13.970 0.000 0.000) 13.970 13.695 ( 27.106 0.000 0.000) 27.106 13.855 ( 2.490 0.000 0.000) 2.490 14.223 ( 19.168 0.000 0.000) 19.168 14.254 ( 48.000 0.000 0.000) 48.000 14.922 ( -6.833 0.000 0.000) 6.833 15.032 ( 7.263 0.000 0.000) 7.263 15.127 ( 16.588 0.000 0.000) 16.588 15.987 ( -8.618 0.000 0.000) 8.618 16.019 ( 13.145 0.000 0.000) 13.145 16.219 ( -31.137 0.000 0.000) 31.137 16.657 ( -38.115 0.000 0.000) 38.115 16.748 ( -17.136 0.000 0.000) 17.136 17.182 ( 2.148 0.000 0.000) 2.148 17.190 ( 1.108 0.000 0.000) 1.108 17.806 ( 13.268 0.000 0.000) 13.268 18.143 ( 0.780 0.000 0.000) 0.780 18.305 ( -5.188 0.000 0.000) 5.188 18.479 ( -20.821 0.000 0.000) 20.821 19.590 ( 5.732 0.000 0.000) 5.732 19.906 ( -10.273 0.000 0.000) 10.273 20.073 ( 13.094 0.000 0.000) 13.094 20.600 ( -11.486 0.000 0.000) 11.486 20.819 ( 7.973 0.000 0.000) 7.973 21.218 ( -11.205 0.000 0.000) 11.205 22.134 ( 4.959 0.000 0.000) 4.959 22.432 ( -11.052 0.000 0.000) 11.052 ======================= Grid point 5 (6/108) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.549 ( -15.209 0.000 0.000) 15.209 2.549 ( 15.209 0.000 0.000) 15.209 2.811 ( -20.999 0.000 0.000) 20.999 2.811 ( 20.999 0.000 0.000) 20.999 3.182 ( -13.526 0.000 0.000) 13.526 3.182 ( 13.526 0.000 0.000) 13.526 3.367 ( -1.594 0.000 0.000) 1.594 3.367 ( 1.594 0.000 0.000) 1.594 3.884 ( -1.764 0.000 0.000) 1.764 3.884 ( 1.764 0.000 0.000) 1.764 4.243 ( -17.244 0.000 0.000) 17.244 4.243 ( 17.244 0.000 0.000) 17.244 4.920 ( -16.900 0.000 0.000) 16.900 4.920 ( 16.900 0.000 0.000) 16.900 5.235 ( -25.437 0.000 0.000) 25.437 5.235 ( 25.437 0.000 0.000) 25.437 5.517 ( -10.273 0.000 0.000) 10.273 5.517 ( 10.273 0.000 0.000) 10.273 5.898 ( -2.050 0.000 0.000) 2.050 5.898 ( 2.050 0.000 0.000) 2.050 5.962 ( -19.359 0.000 0.000) 19.359 5.962 ( 19.359 0.000 0.000) 19.359 6.416 ( -13.449 0.000 0.000) 13.449 6.416 ( 13.449 0.000 0.000) 13.449 7.923 ( -6.444 0.000 0.000) 6.444 7.923 ( 6.444 0.000 0.000) 6.444 7.988 ( -10.280 0.000 0.000) 10.280 7.988 ( 10.280 0.000 0.000) 10.280 8.129 ( -2.485 0.000 0.000) 2.485 8.129 ( 2.485 0.000 0.000) 2.485 9.561 ( -5.633 0.000 0.000) 5.633 9.561 ( 5.633 0.000 0.000) 5.633 10.235 ( -2.170 0.000 0.000) 2.170 10.235 ( 2.170 0.000 0.000) 2.170 10.890 ( -7.086 0.000 0.000) 7.086 10.890 ( 7.086 0.000 0.000) 7.086 11.382 ( -4.356 0.000 0.000) 4.356 11.382 ( 4.356 0.000 0.000) 4.356 11.744 ( -4.709 0.000 0.000) 4.709 11.744 ( 4.709 0.000 0.000) 4.709 11.910 ( -14.172 0.000 0.000) 14.172 11.910 ( 14.172 0.000 0.000) 14.172 12.688 ( -6.164 0.000 0.000) 6.164 12.688 ( 6.164 0.000 0.000) 6.164 13.343 ( -16.964 0.000 0.000) 16.964 13.343 ( 16.964 0.000 0.000) 16.964 13.894 ( -0.071 0.000 0.000) 0.071 13.894 ( 0.071 0.000 0.000) 0.071 14.691 ( -19.082 0.000 0.000) 19.082 14.691 ( 19.082 0.000 0.000) 19.082 15.006 ( -18.529 0.000 0.000) 18.529 15.006 ( 18.529 0.000 0.000) 18.529 15.584 ( -29.632 0.000 0.000) 29.632 15.584 ( 29.632 0.000 0.000) 29.632 16.006 ( -18.347 0.000 0.000) 18.347 16.006 ( 18.347 0.000 0.000) 18.347 16.365 ( -20.112 0.000 0.000) 20.112 16.365 ( 20.112 0.000 0.000) 20.112 17.203 ( -0.054 0.000 0.000) 0.054 17.203 ( 0.054 0.000 0.000) 0.054 18.102 ( -16.788 0.000 0.000) 16.788 18.102 ( 16.788 0.000 0.000) 16.788 18.203 ( -4.622 0.000 0.000) 4.622 18.203 ( 4.622 0.000 0.000) 4.622 19.724 ( -7.908 0.000 0.000) 7.908 19.724 ( 7.908 0.000 0.000) 7.908 20.346 ( -13.742 0.000 0.000) 13.742 20.346 ( 13.742 0.000 0.000) 13.742 21.001 ( -10.259 0.000 0.000) 10.259 21.001 ( 10.259 0.000 0.000) 10.259 22.252 ( -7.213 0.000 0.000) 7.213 22.252 ( 7.213 0.000 0.000) 7.213 ======================= Grid point 11 (7/108) ======================= q-point: ( 0.00 0.20 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( 0.000 30.208 0.000) 30.208 0.727 ( 0.000 35.506 0.000) 35.506 1.228 ( 0.000 59.639 0.000) 59.639 2.257 ( 0.000 -18.397 0.000) 18.397 2.505 ( 0.000 -18.843 0.000) 18.843 3.423 ( 0.000 5.924 0.000) 5.924 3.510 ( 0.000 13.153 0.000) 13.153 3.770 ( 0.000 -3.227 0.000) 3.227 3.831 ( 0.000 0.652 0.000) 0.652 3.917 ( 0.000 -2.378 0.000) 2.378 4.165 ( 0.000 9.274 0.000) 9.274 4.173 ( 0.000 -5.367 0.000) 5.367 4.199 ( 0.000 9.143 0.000) 9.143 4.540 ( 0.000 -42.695 0.000) 42.695 4.595 ( 0.000 10.371 0.000) 10.371 4.701 ( 0.000 -4.295 0.000) 4.295 5.228 ( 0.000 -19.145 0.000) 19.145 5.452 ( 0.000 -12.527 0.000) 12.527 5.892 ( 0.000 5.850 0.000) 5.850 5.971 ( 0.000 0.567 0.000) 0.567 6.427 ( 0.000 28.573 0.000) 28.573 6.605 ( 0.000 12.554 0.000) 12.554 6.639 ( 0.000 8.303 0.000) 8.303 7.176 ( 0.000 -4.606 0.000) 4.606 7.314 ( 0.000 -5.533 0.000) 5.533 7.560 ( 0.000 -7.219 0.000) 7.219 7.762 ( 0.000 4.826 0.000) 4.826 8.139 ( 0.000 -4.473 0.000) 4.473 9.200 ( 0.000 -6.216 0.000) 6.216 9.253 ( 0.000 -2.030 0.000) 2.030 9.296 ( 0.000 1.126 0.000) 1.126 9.389 ( 0.000 -0.940 0.000) 0.940 9.625 ( 0.000 1.356 0.000) 1.356 9.794 ( 0.000 -2.864 0.000) 2.864 10.219 ( 0.000 0.050 0.000) 0.050 10.222 ( 0.000 -0.254 0.000) 0.254 10.337 ( 0.000 24.579 0.000) 24.579 10.638 ( 0.000 4.721 0.000) 4.721 11.033 ( 0.000 -4.607 0.000) 4.607 11.239 ( 0.000 8.192 0.000) 8.192 11.246 ( 0.000 -4.217 0.000) 4.217 11.864 ( 0.000 3.750 0.000) 3.750 12.161 ( 0.000 -3.058 0.000) 3.058 12.325 ( 0.000 2.325 0.000) 2.325 12.621 ( 0.000 -3.940 0.000) 3.940 12.706 ( 0.000 -22.118 0.000) 22.118 12.844 ( 0.000 7.283 0.000) 7.283 13.524 ( 0.000 -8.284 0.000) 8.284 13.886 ( 0.000 5.468 0.000) 5.468 14.462 ( 0.000 14.469 0.000) 14.469 14.643 ( 0.000 -11.999 0.000) 11.999 14.869 ( 0.000 0.211 0.000) 0.211 14.922 ( 0.000 -1.350 0.000) 1.350 15.325 ( 0.000 -5.645 0.000) 5.645 16.952 ( 0.000 -0.446 0.000) 0.446 16.957 ( 0.000 -3.097 0.000) 3.097 16.975 ( 0.000 -2.719 0.000) 2.719 17.272 ( 0.000 -5.308 0.000) 5.308 17.389 ( 0.000 13.601 0.000) 13.601 17.628 ( 0.000 16.706 0.000) 16.706 18.327 ( 0.000 -6.261 0.000) 6.261 18.376 ( 0.000 -13.438 0.000) 13.438 18.454 ( 0.000 4.582 0.000) 4.582 18.949 ( 0.000 7.015 0.000) 7.015 19.227 ( 0.000 -1.800 0.000) 1.800 19.444 ( 0.000 -18.599 0.000) 18.599 20.459 ( 0.000 2.041 0.000) 2.041 20.882 ( 0.000 -3.826 0.000) 3.826 20.985 ( 0.000 20.145 0.000) 20.145 21.779 ( 0.000 -4.960 0.000) 4.960 23.354 ( 0.000 0.123 0.000) 0.123 23.359 ( 0.000 0.003 0.000) 0.003 ======================= Grid point 12 (8/108) ======================= q-point: ( 0.10 0.20 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 20.414 27.044 0.000) 33.884 1.003 ( 24.651 22.559 0.000) 33.415 1.622 ( 38.231 40.375 0.000) 55.603 2.340 ( 7.380 -15.762 0.000) 17.404 2.585 ( 7.791 -17.885 0.000) 19.508 3.469 ( 3.408 3.319 0.000) 4.758 3.472 ( -1.484 10.816 0.000) 10.918 3.674 ( -7.429 -1.402 0.000) 7.560 3.775 ( -3.323 3.093 0.000) 4.540 4.052 ( 9.451 -5.411 0.000) 10.890 4.072 ( -7.233 -1.370 0.000) 7.362 4.143 ( -1.658 8.745 0.000) 8.901 4.223 ( -0.375 4.995 0.000) 5.009 4.504 ( -4.343 4.771 0.000) 6.452 4.584 ( 3.636 -40.698 0.000) 40.860 4.877 ( 12.838 1.492 0.000) 12.925 5.240 ( -0.249 -20.986 0.000) 20.988 5.478 ( 2.514 -10.446 0.000) 10.744 5.876 ( -7.232 10.606 0.000) 12.837 6.005 ( 5.665 5.308 0.000) 7.763 6.562 ( -4.178 11.490 0.000) 12.226 6.593 ( 11.531 13.065 0.000) 17.426 6.725 ( 10.174 4.178 0.000) 10.998 7.166 ( -1.318 -4.548 0.000) 4.735 7.235 ( -8.050 -5.350 0.000) 9.666 7.548 ( -0.465 -6.591 0.000) 6.607 7.799 ( 3.583 4.264 0.000) 5.570 8.136 ( -0.367 -3.879 0.000) 3.896 8.609 ( -36.490 37.770 0.000) 52.518 9.058 ( -9.345 0.518 0.000) 9.359 9.283 ( -1.750 -2.202 0.000) 2.812 9.361 ( 5.955 -7.809 0.000) 9.820 9.848 ( 18.657 1.625 0.000) 18.728 9.965 ( 14.478 -0.882 0.000) 14.505 10.331 ( 10.896 0.428 0.000) 10.904 10.351 ( 1.323 22.825 0.000) 22.863 10.432 ( 20.080 -1.605 0.000) 20.144 10.893 ( 8.600 -6.412 0.000) 10.727 11.175 ( 10.204 -6.668 0.000) 12.190 11.188 ( -2.554 -0.857 0.000) 2.694 11.296 ( 2.392 4.397 0.000) 5.005 12.013 ( 14.399 5.003 0.000) 15.244 12.271 ( 10.306 5.830 0.000) 11.840 12.318 ( -0.899 2.883 0.000) 3.020 12.490 ( -8.249 -9.808 0.000) 12.816 12.810 ( 5.428 -15.847 0.000) 16.751 12.871 ( 2.604 7.467 0.000) 7.908 13.545 ( 2.344 -8.374 0.000) 8.696 13.870 ( -1.499 5.108 0.000) 5.323 14.421 ( -3.990 15.284 0.000) 15.796 14.633 ( -0.859 -12.811 0.000) 12.840 14.886 ( -0.889 -3.049 0.000) 3.176 15.183 ( 17.452 -20.496 0.000) 26.919 15.289 ( -3.357 -4.301 0.000) 5.456 16.788 ( -11.228 12.919 0.000) 17.116 16.930 ( -2.625 -4.809 0.000) 5.478 17.012 ( 2.552 1.103 0.000) 2.780 17.234 ( -4.023 -5.559 0.000) 6.862 17.339 ( 0.148 10.642 0.000) 10.643 17.596 ( -3.035 17.786 0.000) 18.043 18.279 ( -7.115 1.656 0.000) 7.306 18.340 ( -4.649 -13.089 0.000) 13.890 18.395 ( -3.798 -3.072 0.000) 4.885 19.185 ( 14.021 -9.366 0.000) 16.862 19.265 ( 4.264 -5.735 0.000) 7.147 19.372 ( -7.315 -17.812 0.000) 19.256 20.405 ( -5.198 1.087 0.000) 5.310 20.772 ( -7.629 0.675 0.000) 7.659 21.059 ( 4.170 15.641 0.000) 16.188 21.817 ( 3.502 -4.951 0.000) 6.064 22.650 ( -40.543 37.732 0.000) 55.384 23.247 ( -10.873 -1.074 0.000) 10.926 ======================= Grid point 13 (9/108) ======================= q-point: ( 0.20 0.20 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 25.862 18.140 0.000) 31.590 1.472 ( 23.139 18.589 0.000) 29.681 2.483 ( 17.094 -8.304 0.000) 19.004 2.559 ( 40.690 15.538 0.000) 43.556 2.800 ( 13.312 -15.763 0.000) 20.632 3.437 ( -9.300 0.319 0.000) 9.306 3.446 ( -2.063 5.996 0.000) 6.341 3.533 ( -4.688 -0.010 0.000) 4.688 3.775 ( 2.446 2.615 0.000) 3.581 3.905 ( -9.365 -0.850 0.000) 9.403 4.114 ( 2.353 10.502 0.000) 10.763 4.175 ( -4.360 5.276 0.000) 6.844 4.201 ( 0.205 -7.338 0.000) 7.341 4.525 ( 9.904 2.887 0.000) 10.316 4.689 ( 6.738 -32.713 0.000) 33.400 5.170 ( 16.243 2.178 0.000) 16.388 5.193 ( -4.955 -22.399 0.000) 22.941 5.542 ( 3.652 -5.507 0.000) 6.607 5.743 ( -5.284 18.054 0.000) 18.812 6.025 ( -2.932 12.548 0.000) 12.886 6.450 ( -6.729 8.292 0.000) 10.679 6.728 ( 1.181 -6.661 0.000) 6.765 6.993 ( -16.182 -4.628 0.000) 16.831 7.004 ( 8.209 1.791 0.000) 8.403 7.140 ( 5.003 0.296 0.000) 5.011 7.593 ( 6.155 -4.713 0.000) 7.752 7.896 ( 5.758 2.790 0.000) 6.398 8.123 ( -0.999 -2.450 0.000) 2.646 8.159 ( -12.253 31.988 0.000) 34.254 8.850 ( -11.356 5.878 0.000) 12.787 9.247 ( -1.289 -7.278 0.000) 7.391 9.468 ( 4.522 -10.675 0.000) 11.594 10.136 ( 8.223 2.148 0.000) 8.499 10.267 ( 14.439 0.047 0.000) 14.439 10.381 ( 1.459 18.484 0.000) 18.542 10.690 ( 18.989 0.979 0.000) 19.014 10.918 ( 23.637 -5.945 0.000) 24.373 11.139 ( -2.427 -3.450 0.000) 4.218 11.179 ( 23.226 2.825 0.000) 23.397 11.333 ( 1.331 5.999 0.000) 6.144 11.409 ( 20.087 -5.676 0.000) 20.873 12.275 ( -4.123 3.061 0.000) 5.135 12.335 ( -6.788 -9.031 0.000) 11.298 12.367 ( 18.808 6.129 0.000) 19.781 12.571 ( 20.270 10.673 0.000) 22.909 12.875 ( 0.666 -14.295 0.000) 14.310 12.989 ( 11.564 7.617 0.000) 13.847 13.639 ( 7.994 -8.002 0.000) 11.311 13.832 ( -2.268 3.952 0.000) 4.556 14.313 ( -6.644 17.114 0.000) 18.358 14.618 ( -0.249 -14.701 0.000) 14.703 14.862 ( -1.075 -2.602 0.000) 2.816 15.210 ( -3.929 -1.128 0.000) 4.088 15.432 ( 8.158 -22.237 0.000) 23.686 16.603 ( -7.457 18.463 0.000) 19.912 16.848 ( -6.143 -7.626 0.000) 9.792 17.078 ( 3.898 1.941 0.000) 4.355 17.110 ( -8.349 -5.712 0.000) 10.116 17.408 ( 5.971 3.991 0.000) 7.182 17.511 ( -5.353 19.000 0.000) 19.740 17.997 ( -20.245 8.285 0.000) 21.874 18.215 ( -6.901 -10.776 0.000) 12.796 18.339 ( -2.877 -9.413 0.000) 9.843 19.154 ( -14.273 -15.132 0.000) 20.801 19.333 ( 4.950 -3.171 0.000) 5.879 19.439 ( 9.792 -16.372 0.000) 19.077 20.267 ( -8.311 -0.523 0.000) 8.327 20.619 ( -7.408 -2.487 0.000) 7.814 21.121 ( 2.123 17.760 0.000) 17.886 21.902 ( 4.561 -5.026 0.000) 6.787 22.070 ( -20.558 31.500 0.000) 37.615 22.967 ( -16.147 -3.246 0.000) 16.470 ======================= Grid point 14 (10/108) ======================= q-point: ( 0.30 0.20 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( 21.339 12.281 0.000) 24.621 1.953 ( 25.519 12.769 0.000) 28.535 2.655 ( 8.252 -9.290 0.000) 12.426 3.072 ( 10.954 -14.482 0.000) 18.158 3.202 ( -11.594 5.185 0.000) 12.700 3.374 ( -5.090 3.487 0.000) 6.170 3.476 ( 0.280 0.563 0.000) 0.629 3.482 ( 34.435 6.088 0.000) 34.969 3.743 ( -5.974 -2.988 0.000) 6.679 3.745 ( 2.382 5.726 0.000) 6.202 4.064 ( -6.009 4.181 0.000) 7.321 4.109 ( -6.496 -5.562 0.000) 8.552 4.304 ( 15.509 13.665 0.000) 20.670 4.767 ( -3.923 -17.431 0.000) 17.867 4.848 ( 19.722 -2.739 0.000) 19.912 5.100 ( 0.452 -23.209 0.000) 23.214 5.503 ( 16.308 1.073 0.000) 16.344 5.612 ( 3.370 -0.148 0.000) 3.373 5.650 ( -5.765 14.188 0.000) 15.315 5.938 ( -4.446 13.441 0.000) 14.157 6.313 ( -6.451 3.331 0.000) 7.260 6.598 ( -23.186 -2.796 0.000) 23.354 6.624 ( -10.994 -5.398 0.000) 12.248 6.904 ( -9.890 -4.442 0.000) 10.841 7.446 ( 16.645 2.516 0.000) 16.834 7.775 ( 10.159 -3.190 0.000) 10.648 8.008 ( 4.890 0.805 0.000) 4.956 8.040 ( -0.402 24.445 0.000) 24.448 8.094 ( -1.920 -1.012 0.000) 2.170 8.616 ( -11.752 10.768 0.000) 15.939 9.249 ( 1.760 -10.644 0.000) 10.789 9.529 ( 1.372 -12.095 0.000) 12.172 10.231 ( 2.631 4.896 0.000) 5.558 10.399 ( 0.061 13.664 0.000) 13.664 10.528 ( 11.648 -0.786 0.000) 11.674 10.965 ( 12.072 0.858 0.000) 12.102 11.085 ( -3.303 -4.063 0.000) 5.236 11.285 ( 13.204 -5.925 0.000) 14.473 11.356 ( 1.370 5.579 0.000) 5.744 11.594 ( 16.991 5.746 0.000) 17.937 12.018 ( 28.483 -7.195 0.000) 29.377 12.144 ( -8.271 -1.610 0.000) 8.427 12.221 ( -5.634 -2.743 0.000) 6.267 12.760 ( 21.676 9.021 0.000) 23.478 12.824 ( -5.719 -12.671 0.000) 13.902 13.061 ( 29.203 5.838 0.000) 29.781 13.437 ( 34.680 6.443 0.000) 35.274 13.783 ( -2.700 2.206 0.000) 3.487 13.887 ( 16.748 -4.637 0.000) 17.378 14.161 ( -8.462 16.631 0.000) 18.660 14.639 ( 2.472 -14.361 0.000) 14.572 14.871 ( 3.008 -3.090 0.000) 4.312 15.158 ( -0.760 2.018 0.000) 2.157 15.545 ( 3.996 -19.823 0.000) 20.222 16.475 ( -5.385 19.885 0.000) 20.601 16.639 ( -16.330 -6.252 0.000) 17.486 16.898 ( -13.672 -7.143 0.000) 15.425 17.158 ( 3.902 2.295 0.000) 4.527 17.395 ( -6.427 14.525 0.000) 15.883 17.507 ( -27.226 12.504 0.000) 29.960 17.558 ( 8.774 -0.160 0.000) 8.775 18.103 ( -3.581 -8.488 0.000) 9.212 18.259 ( -5.344 -11.135 0.000) 12.351 18.825 ( -18.053 -10.687 0.000) 20.979 19.432 ( 5.132 -4.504 0.000) 6.828 19.642 ( 11.025 -13.680 0.000) 17.570 20.082 ( -10.027 -0.818 0.000) 10.061 20.479 ( -6.912 -8.753 0.000) 11.153 21.152 ( 1.387 21.045 0.000) 21.090 21.738 ( -14.064 23.545 0.000) 27.426 21.991 ( 4.359 -5.210 0.000) 6.793 22.646 ( -15.258 -4.667 0.000) 15.956 ======================= Grid point 15 (11/108) ======================= q-point: ( 0.40 0.20 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( 16.912 7.885 0.000) 18.660 2.428 ( 21.273 7.799 0.000) 22.658 2.843 ( 10.542 -7.213 0.000) 12.773 2.930 ( -11.721 6.644 0.000) 13.473 3.201 ( -1.062 -8.272 0.000) 8.340 3.227 ( -10.378 5.280 0.000) 11.644 3.473 ( -6.738 1.253 0.000) 6.853 3.550 ( -6.141 7.294 0.000) 9.534 3.662 ( 10.825 -10.639 0.000) 15.178 3.933 ( -4.795 1.335 0.000) 4.977 4.007 ( -2.154 -4.781 0.000) 5.243 4.453 ( 20.858 0.094 0.000) 20.858 4.541 ( 3.461 -4.019 0.000) 5.304 4.663 ( 19.320 11.527 0.000) 22.498 5.208 ( 4.288 -11.148 0.000) 11.944 5.243 ( 18.167 -3.435 0.000) 18.488 5.485 ( -8.282 8.142 0.000) 11.614 5.636 ( 0.754 -0.587 0.000) 0.956 5.780 ( 3.539 -2.370 0.000) 4.259 5.868 ( -3.607 3.754 0.000) 5.206 6.102 ( -19.376 2.751 0.000) 19.570 6.250 ( 0.127 -0.218 0.000) 0.252 6.344 ( -15.515 -0.332 0.000) 15.519 6.672 ( -13.153 -3.093 0.000) 13.512 7.732 ( 11.994 1.419 0.000) 12.078 7.924 ( 5.153 0.998 0.000) 5.249 8.029 ( -3.432 0.527 0.000) 3.472 8.077 ( 0.061 -1.737 0.000) 1.739 8.127 ( 7.313 15.835 0.000) 17.442 8.401 ( -9.191 14.764 0.000) 17.391 9.318 ( 4.979 -12.242 0.000) 13.216 9.515 ( -2.764 -12.612 0.000) 12.911 10.275 ( 2.304 7.526 0.000) 7.871 10.379 ( -1.973 10.387 0.000) 10.573 10.728 ( 8.604 -1.164 0.000) 8.683 11.000 ( -5.248 -2.855 0.000) 5.974 11.210 ( 11.989 1.081 0.000) 12.038 11.394 ( 2.052 3.160 0.000) 3.768 11.540 ( 12.764 -6.947 0.000) 14.532 11.788 ( 4.642 7.584 0.000) 8.892 11.954 ( -10.471 -0.070 0.000) 10.471 12.091 ( -7.750 -1.909 0.000) 7.982 12.372 ( 9.852 -10.103 0.000) 14.111 12.672 ( -8.512 -11.760 0.000) 14.517 13.176 ( 18.648 12.086 0.000) 22.222 13.644 ( 22.624 -4.743 0.000) 23.116 13.703 ( -6.390 3.628 0.000) 7.348 13.997 ( -7.109 10.323 0.000) 12.535 14.275 ( 30.554 5.352 0.000) 31.019 14.321 ( 41.420 6.393 0.000) 41.910 14.696 ( 2.043 -9.816 0.000) 10.026 15.037 ( 15.139 -7.440 0.000) 16.868 15.180 ( 2.201 3.276 0.000) 3.947 15.608 ( 2.849 -19.584 0.000) 19.790 16.170 ( -30.418 -2.981 0.000) 30.564 16.424 ( 1.979 21.862 0.000) 21.952 16.478 ( -30.784 -9.616 0.000) 32.251 16.960 ( -22.812 13.703 0.000) 26.611 17.226 ( 2.853 3.077 0.000) 4.196 17.321 ( -3.038 10.947 0.000) 11.360 17.748 ( 10.199 -4.530 0.000) 11.160 18.091 ( 2.616 -6.202 0.000) 6.732 18.127 ( -7.783 -12.325 0.000) 14.576 18.474 ( -16.188 -5.741 0.000) 17.176 19.545 ( 6.466 -3.335 0.000) 7.275 19.879 ( 12.510 -13.515 0.000) 18.416 19.880 ( -10.009 -0.732 0.000) 10.035 20.327 ( -8.792 -13.442 0.000) 16.062 21.196 ( 3.510 22.674 0.000) 22.944 21.489 ( -11.005 21.118 0.000) 23.813 22.080 ( 4.898 -5.387 0.000) 7.281 22.380 ( -11.239 -5.255 0.000) 12.407 ======================= Grid point 16 (12/108) ======================= q-point: (-0.50 0.20 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( -9.942 3.980 0.000) 10.709 2.583 ( 9.942 3.980 0.000) 10.709 2.910 ( -11.727 6.532 0.000) 13.424 2.910 ( 11.727 6.532 0.000) 13.424 3.104 ( -6.840 -3.659 0.000) 7.758 3.104 ( 6.840 -3.659 0.000) 7.758 3.424 ( -2.317 2.522 0.000) 3.425 3.424 ( 2.317 2.522 0.000) 3.425 3.855 ( -4.121 -2.003 0.000) 4.582 3.855 ( 4.121 -2.003 0.000) 4.582 4.142 ( -16.429 -8.138 0.000) 18.334 4.142 ( 16.429 -8.138 0.000) 18.334 5.027 ( -14.502 8.811 0.000) 16.969 5.027 ( 14.502 8.811 0.000) 16.969 5.267 ( -27.621 2.714 0.000) 27.754 5.267 ( 27.621 2.714 0.000) 27.754 5.497 ( -7.304 -1.867 0.000) 7.538 5.497 ( 7.304 -1.867 0.000) 7.538 5.734 ( -9.851 -10.058 0.000) 14.079 5.734 ( 9.851 -10.058 0.000) 14.079 6.089 ( -8.333 6.855 0.000) 10.790 6.089 ( 8.333 6.855 0.000) 10.790 6.402 ( -12.852 -1.716 0.000) 12.966 6.402 ( 12.852 -1.716 0.000) 12.966 7.925 ( -7.332 1.010 0.000) 7.402 7.925 ( 7.332 1.010 0.000) 7.402 8.023 ( -4.795 0.497 0.000) 4.821 8.023 ( 4.795 0.497 0.000) 4.821 8.260 ( -5.895 14.093 0.000) 15.276 8.260 ( 5.895 14.093 0.000) 15.277 9.429 ( -5.519 -12.671 0.000) 13.821 9.429 ( 5.519 -12.671 0.000) 13.821 10.328 ( -2.865 8.895 0.000) 9.345 10.328 ( 2.865 8.895 0.000) 9.345 10.879 ( -6.787 -1.651 0.000) 6.985 10.879 ( 6.787 -1.651 0.000) 6.985 11.389 ( -4.400 0.906 0.000) 4.492 11.389 ( 4.400 0.906 0.000) 4.492 11.756 ( -9.049 -3.043 0.000) 9.547 11.756 ( 9.049 -3.043 0.000) 9.547 11.910 ( -9.270 3.768 0.000) 10.007 11.910 ( 9.270 3.768 0.000) 10.007 12.519 ( -6.712 -11.699 0.000) 13.488 12.519 ( 6.712 -11.699 0.000) 13.488 13.499 ( -13.762 10.109 0.000) 17.076 13.499 ( 13.762 10.109 0.000) 17.076 13.886 ( -5.595 -1.477 0.000) 5.786 13.886 ( 5.595 -1.477 0.000) 5.786 14.651 ( -9.004 0.436 0.000) 9.014 14.651 ( 9.004 0.436 0.000) 9.014 15.101 ( -20.126 6.510 0.000) 21.152 15.101 ( 20.126 6.510 0.000) 21.152 15.507 ( -31.260 -6.971 0.000) 32.028 15.507 ( 31.260 -6.971 0.000) 32.028 15.813 ( -26.162 -13.949 0.000) 29.648 15.813 ( 26.162 -13.949 0.000) 29.648 16.593 ( -14.378 17.869 0.000) 22.936 16.593 ( 14.378 17.869 0.000) 22.936 17.273 ( -2.108 5.577 0.000) 5.962 17.273 ( 2.108 5.577 0.000) 5.962 17.952 ( -9.811 -9.861 0.000) 13.910 17.952 ( 9.811 -9.861 0.000) 13.910 18.212 ( -9.678 -4.132 0.000) 10.523 18.212 ( 9.678 -4.132 0.000) 10.523 19.694 ( -8.497 -1.604 0.000) 8.647 19.694 ( 8.497 -1.604 0.000) 8.647 20.123 ( -11.585 -14.307 0.000) 18.409 20.123 ( 11.585 -14.307 0.000) 18.409 21.304 ( -7.434 21.830 0.000) 23.061 21.304 ( 7.434 21.830 0.000) 23.061 22.198 ( -7.248 -5.435 0.000) 9.059 22.198 ( 7.248 -5.435 0.000) 9.059 ======================= Grid point 22 (13/108) ======================= q-point: ( 0.00 0.40 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 0.000 28.603 0.000) 28.603 1.416 ( 0.000 32.665 0.000) 32.665 1.746 ( 0.000 -23.229 0.000) 23.229 2.027 ( 0.000 -27.705 0.000) 27.705 2.468 ( 0.000 55.161 0.000) 55.161 3.556 ( 0.000 6.798 0.000) 6.798 3.569 ( 0.000 -52.453 0.000) 52.453 3.682 ( 0.000 -5.470 0.000) 5.470 3.784 ( 0.000 13.104 0.000) 13.104 3.846 ( 0.000 0.946 0.000) 0.946 3.873 ( 0.000 -1.797 0.000) 1.797 4.018 ( 0.000 -9.905 0.000) 9.905 4.378 ( 0.000 10.819 0.000) 10.819 4.460 ( 0.000 16.247 0.000) 16.247 4.574 ( 0.000 -8.249 0.000) 8.249 4.828 ( 0.000 -19.777 0.000) 19.777 4.855 ( 0.000 14.649 0.000) 14.649 5.162 ( 0.000 -15.384 0.000) 15.384 5.968 ( 0.000 1.830 0.000) 1.830 5.981 ( 0.000 0.182 0.000) 0.182 6.840 ( 0.000 10.929 0.000) 10.929 6.886 ( 0.000 14.239 0.000) 14.239 6.956 ( 0.000 22.852 0.000) 22.852 7.041 ( 0.000 -8.653 0.000) 8.653 7.146 ( 0.000 -11.016 0.000) 11.016 7.337 ( 0.000 -14.971 0.000) 14.971 7.885 ( 0.000 6.855 0.000) 6.855 8.023 ( 0.000 -6.651 0.000) 6.651 9.142 ( 0.000 0.564 0.000) 0.564 9.193 ( 0.000 -3.501 0.000) 3.501 9.326 ( 0.000 1.768 0.000) 1.768 9.362 ( 0.000 -1.656 0.000) 1.656 9.665 ( 0.000 2.617 0.000) 2.617 9.727 ( 0.000 -3.440 0.000) 3.440 10.218 ( 0.000 -0.094 0.000) 0.094 10.218 ( 0.000 -0.091 0.000) 0.091 10.762 ( 0.000 7.192 0.000) 7.192 10.826 ( 0.000 20.269 0.000) 20.269 10.910 ( 0.000 -7.130 0.000) 7.130 11.112 ( 0.000 -9.460 0.000) 9.460 11.542 ( 0.000 23.408 0.000) 23.408 11.963 ( 0.000 5.639 0.000) 5.639 12.075 ( 0.000 -5.220 0.000) 5.220 12.130 ( 0.000 -31.402 0.000) 31.402 12.407 ( 0.000 4.491 0.000) 4.491 12.518 ( 0.000 -5.830 0.000) 5.830 13.045 ( 0.000 12.123 0.000) 12.123 13.304 ( 0.000 -12.796 0.000) 12.796 14.072 ( 0.000 12.422 0.000) 12.422 14.357 ( 0.000 -15.158 0.000) 15.158 14.793 ( 0.000 17.324 0.000) 17.324 14.877 ( 0.000 0.592 0.000) 0.592 14.894 ( 0.000 -1.190 0.000) 1.190 15.120 ( 0.000 -14.173 0.000) 14.173 16.943 ( 0.000 -0.379 0.000) 0.379 16.943 ( 0.000 -0.617 0.000) 0.617 16.985 ( 0.000 5.361 0.000) 5.361 17.131 ( 0.000 -8.074 0.000) 8.074 17.710 ( 0.000 17.421 0.000) 17.421 17.952 ( 0.000 13.955 0.000) 13.955 18.063 ( 0.000 -17.092 0.000) 17.092 18.174 ( 0.000 -8.796 0.000) 8.796 18.630 ( 0.000 13.875 0.000) 13.875 19.007 ( 0.000 -22.243 0.000) 22.243 19.079 ( 0.000 5.620 0.000) 5.620 19.172 ( 0.000 -3.669 0.000) 3.669 20.594 ( 0.000 9.026 0.000) 9.026 20.767 ( 0.000 -7.479 0.000) 7.479 21.357 ( 0.000 16.195 0.000) 16.195 21.625 ( 0.000 -10.462 0.000) 10.462 23.357 ( 0.000 0.134 0.000) 0.134 23.359 ( 0.000 -0.056 0.000) 0.056 ======================= Grid point 23 (14/108) ======================= q-point: ( 0.10 0.40 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 19.640 22.626 0.000) 29.961 1.551 ( 12.876 29.998 0.000) 32.645 1.901 ( 13.389 -21.072 0.000) 24.966 2.126 ( 9.651 -26.511 0.000) 28.213 2.633 ( 17.128 50.691 0.000) 53.506 3.555 ( -1.115 4.572 0.000) 4.706 3.632 ( -4.665 -2.938 0.000) 5.513 3.656 ( 8.801 -49.334 0.000) 50.113 3.723 ( -4.683 12.553 0.000) 13.398 3.840 ( 0.608 3.885 0.000) 3.932 3.937 ( 5.182 -5.561 0.000) 7.601 3.949 ( -5.986 -9.490 0.000) 11.220 4.347 ( -2.181 10.118 0.000) 10.351 4.457 ( -0.939 15.829 0.000) 15.857 4.508 ( -3.840 -4.876 0.000) 6.207 4.824 ( -1.078 -19.998 0.000) 20.027 4.994 ( 11.469 10.161 0.000) 15.323 5.235 ( 6.841 -12.792 0.000) 14.506 6.007 ( 2.049 3.753 0.000) 4.276 6.049 ( 6.203 -0.292 0.000) 6.210 6.824 ( -6.124 13.479 0.000) 14.804 6.831 ( -1.949 10.453 0.000) 10.633 7.002 ( 2.359 9.448 0.000) 9.739 7.044 ( 3.185 0.562 0.000) 3.234 7.072 ( -7.392 -10.605 0.000) 12.927 7.347 ( 1.827 -13.403 0.000) 13.527 7.909 ( 2.318 6.208 0.000) 6.627 8.034 ( 0.963 -5.949 0.000) 6.026 9.057 ( -21.005 12.029 0.000) 24.206 9.102 ( -3.395 4.144 0.000) 5.357 9.213 ( -9.145 -4.936 0.000) 10.392 9.215 ( 1.488 -6.640 0.000) 6.805 9.890 ( 18.570 2.383 0.000) 18.723 9.936 ( 17.144 -1.960 0.000) 17.255 10.349 ( 12.969 1.415 0.000) 13.046 10.387 ( 16.032 -2.329 0.000) 16.200 10.807 ( -1.849 19.110 0.000) 19.199 10.889 ( 10.263 4.604 0.000) 11.248 11.024 ( 9.779 -7.857 0.000) 12.544 11.080 ( -2.878 -9.012 0.000) 9.461 11.557 ( 1.117 21.494 0.000) 21.523 12.090 ( -3.673 -27.621 0.000) 27.864 12.145 ( 16.965 7.225 0.000) 18.440 12.271 ( 17.439 -4.367 0.000) 17.977 12.408 ( 0.098 5.842 0.000) 5.843 12.553 ( 2.832 -8.874 0.000) 9.315 13.067 ( 2.613 11.764 0.000) 12.051 13.322 ( 2.331 -12.810 0.000) 13.021 14.050 ( -2.091 12.242 0.000) 12.420 14.336 ( -1.971 -15.452 0.000) 15.578 14.767 ( -2.493 17.974 0.000) 18.146 14.867 ( -0.298 1.851 0.000) 1.875 14.952 ( 4.767 -6.519 0.000) 8.076 15.101 ( -1.864 -14.012 0.000) 14.135 16.921 ( -0.946 3.830 0.000) 3.945 16.938 ( -4.378 5.028 0.000) 6.667 16.986 ( 2.845 -2.711 0.000) 3.930 17.085 ( -4.452 -8.375 0.000) 9.484 17.654 ( -4.221 18.064 0.000) 18.551 17.936 ( -1.895 14.559 0.000) 14.682 18.018 ( -4.167 -17.646 0.000) 18.131 18.172 ( -0.601 -9.456 0.000) 9.475 18.534 ( -9.483 15.140 0.000) 17.865 18.935 ( -7.125 -22.962 0.000) 24.042 19.136 ( 5.075 2.039 0.000) 5.469 19.196 ( 2.409 -3.282 0.000) 4.071 20.526 ( -6.376 8.634 0.000) 10.733 20.691 ( -6.941 -6.911 0.000) 9.795 21.399 ( 3.606 15.801 0.000) 16.207 21.664 ( 3.496 -10.406 0.000) 10.977 23.074 ( -23.729 10.553 0.000) 25.970 23.203 ( -14.548 -3.640 0.000) 14.996 ======================= Grid point 24 (15/108) ======================= q-point: ( 0.20 0.40 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( 18.461 17.424 0.000) 25.386 1.885 ( 19.601 24.887 0.000) 31.680 2.182 ( 13.547 -16.629 0.000) 21.448 2.386 ( 15.619 -23.883 0.000) 28.537 3.138 ( 31.338 35.881 0.000) 47.640 3.477 ( -6.743 2.686 0.000) 7.258 3.520 ( -5.694 -1.382 0.000) 5.859 3.601 ( -6.207 6.700 0.000) 9.133 3.817 ( -6.029 -6.991 0.000) 9.232 3.863 ( -0.096 6.268 0.000) 6.269 3.954 ( 19.393 -36.095 0.000) 40.975 4.017 ( 0.936 -8.647 0.000) 8.698 4.354 ( 4.771 10.387 0.000) 11.430 4.399 ( -5.114 14.899 0.000) 15.753 4.511 ( 6.018 -4.553 0.000) 7.546 4.760 ( -5.655 -20.200 0.000) 20.976 5.257 ( 14.340 6.401 0.000) 15.704 5.405 ( 9.547 -7.631 0.000) 12.222 6.018 ( -1.709 9.599 0.000) 9.750 6.135 ( 0.851 -1.396 0.000) 1.635 6.651 ( -11.018 10.792 0.000) 15.423 6.758 ( -5.302 7.678 0.000) 9.331 6.855 ( -14.315 -8.912 0.000) 16.863 6.933 ( -6.539 -7.896 0.000) 10.253 7.255 ( 14.141 9.749 0.000) 17.176 7.453 ( 9.263 -8.949 0.000) 12.880 7.970 ( 3.521 4.286 0.000) 5.547 8.056 ( 1.068 -4.026 0.000) 4.165 8.706 ( -13.076 21.468 0.000) 25.137 9.016 ( -5.242 10.189 0.000) 11.458 9.044 ( -6.901 -12.928 0.000) 14.655 9.239 ( 0.756 -11.601 0.000) 11.625 10.197 ( 10.756 3.470 0.000) 11.302 10.253 ( 13.358 -1.729 0.000) 13.469 10.728 ( 18.856 2.957 0.000) 19.087 10.759 ( -2.838 16.637 0.000) 16.878 10.809 ( 21.815 -4.869 0.000) 22.352 11.014 ( -3.499 -9.088 0.000) 9.738 11.228 ( 25.791 2.513 0.000) 25.913 11.297 ( 22.158 -4.685 0.000) 22.648 11.570 ( 0.001 17.954 0.000) 17.954 12.000 ( -5.122 -21.667 0.000) 22.264 12.400 ( -1.357 7.848 0.000) 7.964 12.538 ( 20.085 9.343 0.000) 22.152 12.597 ( 0.760 -11.895 0.000) 11.920 12.671 ( 21.234 -1.850 0.000) 21.314 13.189 ( 11.520 11.634 0.000) 16.373 13.432 ( 9.988 -11.884 0.000) 15.524 13.994 ( -3.392 11.840 0.000) 12.317 14.283 ( -3.423 -16.067 0.000) 16.428 14.707 ( -2.912 19.418 0.000) 19.635 14.868 ( 0.539 4.636 0.000) 4.668 15.057 ( -2.123 -13.787 0.000) 13.950 15.061 ( 5.604 -14.187 0.000) 15.254 16.821 ( -7.410 4.196 0.000) 8.516 16.895 ( -1.778 10.742 0.000) 10.888 16.961 ( -8.045 -8.265 0.000) 11.534 17.051 ( 3.529 -4.842 0.000) 5.992 17.597 ( -0.767 14.223 0.000) 14.244 17.856 ( -6.852 14.459 0.000) 16.000 17.922 ( -4.702 -16.760 0.000) 17.407 18.112 ( -7.846 -11.444 0.000) 13.875 18.280 ( -13.522 19.039 0.000) 23.352 18.736 ( -12.357 -23.974 0.000) 26.971 19.250 ( 5.527 -1.769 0.000) 5.803 19.278 ( 6.431 -3.454 0.000) 7.300 20.362 ( -9.643 7.873 0.000) 12.449 20.520 ( -9.720 -6.923 0.000) 11.934 21.476 ( 3.745 16.096 0.000) 16.526 21.746 ( 4.312 -10.583 0.000) 11.428 22.585 ( -23.016 18.758 0.000) 29.692 22.852 ( -19.077 -8.733 0.000) 20.980 ======================= Grid point 25 (16/108) ======================= q-point: ( 0.30 0.40 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( 16.378 13.088 0.000) 20.965 2.292 ( 20.316 19.825 0.000) 28.387 2.435 ( 12.233 -11.828 0.000) 17.016 2.708 ( 15.282 -20.497 0.000) 25.567 3.319 ( -8.205 5.839 0.000) 10.070 3.424 ( -3.554 -4.460 0.000) 5.703 3.469 ( -6.084 5.607 0.000) 8.274 3.555 ( -1.576 -1.276 0.000) 2.028 3.803 ( -4.992 6.964 0.000) 8.569 3.965 ( -4.744 -8.237 0.000) 9.505 3.968 ( 30.978 17.444 0.000) 35.552 4.242 ( -8.038 13.301 0.000) 15.541 4.379 ( 15.351 -20.054 0.000) 25.255 4.561 ( 14.972 11.356 0.000) 18.791 4.622 ( -3.605 -22.576 0.000) 22.862 4.749 ( 16.407 -7.188 0.000) 17.913 5.542 ( 13.373 2.611 0.000) 13.626 5.592 ( 8.700 -1.940 0.000) 8.914 5.917 ( -8.751 11.225 0.000) 14.233 6.065 ( -7.566 -1.881 0.000) 7.797 6.405 ( -12.917 5.487 0.000) 14.034 6.516 ( -19.049 -5.135 0.000) 19.729 6.614 ( -9.065 5.489 0.000) 10.598 6.773 ( -9.190 -8.205 0.000) 12.320 7.547 ( 14.309 6.630 0.000) 15.771 7.681 ( 11.981 -6.052 0.000) 13.423 8.033 ( 2.454 1.637 0.000) 2.949 8.067 ( -0.125 -1.594 0.000) 1.599 8.542 ( -3.646 23.629 0.000) 23.909 8.898 ( -6.391 16.335 0.000) 17.541 8.959 ( -1.388 -17.728 0.000) 17.782 9.236 ( -1.307 -16.395 0.000) 16.447 10.363 ( 6.623 7.391 0.000) 9.924 10.485 ( 10.248 -4.020 0.000) 11.008 10.699 ( -3.154 14.575 0.000) 14.912 10.946 ( -3.316 -9.690 0.000) 10.242 11.006 ( 11.992 3.643 0.000) 12.533 11.127 ( 12.048 -8.189 0.000) 14.568 11.557 ( -1.223 14.312 0.000) 14.365 11.736 ( 20.951 7.780 0.000) 22.349 11.884 ( 25.876 -6.679 0.000) 26.724 11.894 ( -5.526 -17.304 0.000) 18.165 12.339 ( -4.903 9.563 0.000) 10.747 12.563 ( -4.323 -12.402 0.000) 13.134 12.948 ( 22.329 9.482 0.000) 24.259 13.099 ( 22.638 -3.692 0.000) 22.937 13.604 ( 31.153 9.255 0.000) 32.498 13.772 ( 25.416 -6.916 0.000) 26.340 13.917 ( -4.318 10.838 0.000) 11.666 14.186 ( -6.731 -13.863 0.000) 15.410 14.685 ( 1.281 18.223 0.000) 18.268 14.893 ( 2.003 7.253 0.000) 7.525 15.035 ( 0.334 -13.664 0.000) 13.668 15.159 ( 3.920 -17.612 0.000) 18.043 16.617 ( -14.480 3.895 0.000) 14.995 16.746 ( -14.710 -7.706 0.000) 16.607 16.858 ( -1.455 17.199 0.000) 17.261 17.121 ( 3.434 -7.716 0.000) 8.446 17.626 ( 3.320 8.095 0.000) 8.750 17.636 ( -15.945 11.431 0.000) 19.619 17.791 ( -19.327 4.252 0.000) 19.789 17.861 ( -0.887 -13.813 0.000) 13.841 18.105 ( -6.642 5.177 0.000) 8.421 18.472 ( -13.434 -22.002 0.000) 25.779 19.368 ( 6.873 0.026 0.000) 6.873 19.441 ( 9.542 -6.641 0.000) 11.625 20.156 ( -10.796 7.156 0.000) 12.952 20.317 ( -10.469 -8.079 0.000) 13.223 21.544 ( 3.201 17.150 0.000) 17.446 21.828 ( 4.004 -11.062 0.000) 11.765 22.188 ( -16.886 19.277 0.000) 25.627 22.492 ( -16.406 -11.048 0.000) 19.779 ======================= Grid point 26 (17/108) ======================= q-point: ( 0.40 0.40 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( 13.691 9.715 0.000) 16.788 2.647 ( 13.419 13.170 0.000) 18.802 2.677 ( 11.820 -8.895 0.000) 14.793 2.910 ( 3.133 -11.065 0.000) 11.500 3.187 ( -3.919 8.497 0.000) 9.357 3.345 ( -6.417 5.989 0.000) 8.777 3.396 ( 0.145 -11.689 0.000) 11.690 3.450 ( -5.402 -3.800 0.000) 6.605 3.737 ( 1.075 8.145 0.000) 8.215 3.889 ( -1.513 -6.857 0.000) 7.022 4.040 ( -10.364 9.325 0.000) 13.941 4.268 ( -14.623 -12.222 0.000) 19.058 4.668 ( 34.926 11.348 0.000) 36.724 4.902 ( 18.289 11.564 0.000) 21.638 4.937 ( 22.283 -14.470 0.000) 26.569 5.114 ( 19.335 -9.072 0.000) 21.357 5.660 ( -3.728 2.735 0.000) 4.624 5.678 ( -14.524 9.774 0.000) 17.506 5.724 ( -2.536 -3.164 0.000) 4.055 5.845 ( -14.251 -5.939 0.000) 15.439 6.166 ( -8.580 3.380 0.000) 9.222 6.226 ( -3.277 -2.262 0.000) 3.981 6.416 ( -10.269 7.117 0.000) 12.494 6.569 ( -11.274 -6.931 0.000) 13.235 7.798 ( 10.520 4.402 0.000) 11.404 7.884 ( 8.042 -3.681 0.000) 8.844 8.042 ( -2.361 0.655 0.000) 2.450 8.055 ( -0.778 -0.737 0.000) 1.072 8.545 ( 3.299 22.902 0.000) 23.138 8.768 ( -6.553 20.594 0.000) 21.611 8.986 ( 3.731 -19.989 0.000) 20.334 9.183 ( -3.995 -19.561 0.000) 19.964 10.474 ( 4.794 11.096 0.000) 12.087 10.633 ( -3.448 13.614 0.000) 14.044 10.661 ( 7.459 -6.312 0.000) 9.771 10.877 ( -3.840 -9.589 0.000) 10.329 11.246 ( 11.783 3.076 0.000) 12.178 11.363 ( 12.029 -8.671 0.000) 14.828 11.524 ( -2.319 9.875 0.000) 10.144 11.771 ( -7.218 -13.467 0.000) 15.279 11.986 ( 6.325 11.085 0.000) 12.762 12.192 ( 7.637 -8.927 0.000) 11.748 12.215 ( -6.993 10.382 0.000) 12.518 12.438 ( -7.408 -11.349 0.000) 13.552 13.372 ( 18.246 7.829 0.000) 19.854 13.520 ( 17.531 -7.084 0.000) 18.908 13.818 ( -5.950 8.373 0.000) 10.272 14.016 ( -10.060 -8.787 0.000) 13.357 14.407 ( 44.291 6.614 0.000) 44.782 14.464 ( 42.918 3.775 0.000) 43.084 14.752 ( 4.558 14.613 0.000) 15.308 14.951 ( 4.885 3.525 0.000) 6.024 15.072 ( 2.958 -13.266 0.000) 13.591 15.214 ( 2.247 -18.785 0.000) 18.919 16.178 ( -30.721 4.118 0.000) 30.996 16.304 ( -31.068 -7.684 0.000) 32.004 16.866 ( 2.995 21.045 0.000) 21.257 17.196 ( 4.361 -9.226 0.000) 10.205 17.267 ( -17.559 15.790 0.000) 23.615 17.484 ( -11.704 -0.775 0.000) 11.729 17.715 ( 5.379 3.795 0.000) 6.583 17.893 ( 3.995 -11.751 0.000) 12.412 17.968 ( -7.042 2.169 0.000) 7.369 18.220 ( -11.644 -16.923 0.000) 20.541 19.527 ( 9.042 2.718 0.000) 9.442 19.650 ( 11.266 -8.925 0.000) 14.373 19.938 ( -10.999 6.416 0.000) 12.734 20.104 ( -10.979 -9.506 0.000) 14.523 21.613 ( 4.128 18.092 0.000) 18.557 21.906 ( -11.569 18.651 0.000) 21.948 21.912 ( 4.657 -11.533 0.000) 12.438 22.212 ( -11.586 -11.650 0.000) 16.431 ======================= Grid point 27 (18/108) ======================= q-point: (-0.50 0.40 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.708 ( -6.987 7.898 0.000) 10.545 2.708 ( 6.987 7.898 0.000) 10.545 2.872 ( -6.341 -7.540 0.000) 9.852 2.872 ( 6.341 -7.540 0.000) 9.852 3.210 ( -6.089 10.373 0.000) 12.028 3.210 ( 6.089 10.373 0.000) 12.028 3.390 ( -0.380 -6.224 0.000) 6.235 3.390 ( 0.380 -6.224 0.000) 6.235 3.860 ( -7.800 3.375 0.000) 8.499 3.860 ( 7.800 3.375 0.000) 8.499 3.977 ( -12.011 -7.537 0.000) 14.180 3.977 ( 12.011 -7.537 0.000) 14.180 5.213 ( -5.243 8.590 0.000) 10.064 5.213 ( 5.243 8.590 0.000) 10.064 5.311 ( -26.313 0.099 0.000) 26.313 5.311 ( 26.313 0.099 0.000) 26.313 5.461 ( -2.704 -0.477 0.000) 2.745 5.461 ( 2.704 -0.477 0.000) 2.745 5.541 ( -7.789 -8.086 0.000) 11.227 5.541 ( 7.789 -8.086 0.000) 11.227 6.223 ( -8.620 6.433 0.000) 10.756 6.223 ( 8.620 6.433 0.000) 10.756 6.338 ( -11.035 -4.650 0.000) 11.974 6.338 ( 11.035 -4.650 0.000) 11.974 7.961 ( -5.931 2.282 0.000) 6.355 7.961 ( 5.931 2.282 0.000) 6.355 8.005 ( -4.288 -1.815 0.000) 4.656 8.005 ( 4.288 -1.815 0.000) 4.656 8.643 ( -5.899 22.087 0.000) 22.861 8.643 ( 5.899 22.087 0.000) 22.861 9.085 ( -5.501 -20.597 0.000) 21.319 9.085 ( 5.501 -20.597 0.000) 21.319 10.560 ( -3.944 12.932 0.000) 13.520 10.560 ( 3.944 12.932 0.000) 13.520 10.787 ( -5.296 -8.262 0.000) 9.813 10.787 ( 5.296 -8.262 0.000) 9.813 11.440 ( -6.895 4.834 0.000) 8.421 11.440 ( 6.895 4.834 0.000) 8.421 11.593 ( -10.616 -9.828 0.000) 14.467 11.593 ( 10.616 -9.828 0.000) 14.467 12.087 ( -5.398 11.166 0.000) 12.402 12.087 ( 5.398 11.166 0.000) 12.402 12.304 ( -5.533 -10.172 0.000) 11.579 12.304 ( 5.533 -10.172 0.000) 11.579 13.659 ( -10.746 6.634 0.000) 12.629 13.659 ( 10.746 6.634 0.000) 12.629 13.798 ( -11.705 -6.818 0.000) 13.546 13.798 ( 11.705 -6.818 0.000) 13.546 14.816 ( -0.223 14.923 0.000) 14.925 14.816 ( 0.223 14.923 0.000) 14.925 15.117 ( -0.733 -9.956 0.000) 9.983 15.117 ( 0.733 -9.956 0.000) 9.983 15.405 ( -45.435 2.049 0.000) 45.481 15.405 ( 45.435 2.049 0.000) 45.481 15.553 ( -39.550 -10.711 0.000) 40.975 15.553 ( 39.550 -10.711 0.000) 40.975 16.994 ( -9.971 20.319 0.000) 22.634 16.994 ( 9.971 20.319 0.000) 22.634 17.304 ( -6.836 -6.928 0.000) 9.733 17.304 ( 6.836 -6.928 0.000) 9.733 17.833 ( -6.399 1.835 0.000) 6.657 17.833 ( 6.399 1.835 0.000) 6.657 18.017 ( -8.427 -12.846 0.000) 15.363 18.017 ( 8.427 -12.846 0.000) 15.363 19.723 ( -10.478 5.048 0.000) 11.630 19.723 ( 10.478 5.048 0.000) 11.630 19.880 ( -11.563 -9.965 0.000) 15.265 19.880 ( 11.563 -9.965 0.000) 15.265 21.722 ( -7.130 18.466 0.000) 19.795 21.722 ( 7.130 18.466 0.000) 19.795 22.027 ( -7.260 -11.747 0.000) 13.810 22.027 ( 7.260 -11.747 0.000) 13.810 ======================= Grid point 55 (19/108) ======================= q-point: ( 0.00 0.00 0.10) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( 0.000 0.000 31.343) 31.343 0.694 ( 0.000 0.000 35.520) 35.520 1.255 ( 0.000 0.000 64.208) 64.208 2.496 ( 0.000 0.000 5.801) 5.801 2.718 ( 0.000 0.000 0.276) 0.276 3.351 ( 0.000 0.000 -0.434) 0.434 3.430 ( 0.000 0.000 8.330) 8.330 3.777 ( 0.000 0.000 -3.542) 3.542 3.901 ( 0.000 0.000 -4.356) 4.356 3.931 ( 0.000 0.000 11.842) 11.842 3.946 ( 0.000 0.000 -9.460) 9.460 4.115 ( 0.000 0.000 0.938) 0.938 4.196 ( 0.000 0.000 -4.938) 4.938 4.557 ( 0.000 0.000 7.908) 7.908 4.735 ( 0.000 0.000 -0.928) 0.928 5.175 ( 0.000 0.000 8.685) 8.685 5.520 ( 0.000 0.000 -7.657) 7.657 5.567 ( 0.000 0.000 6.388) 6.388 5.826 ( 0.000 0.000 1.738) 1.738 5.976 ( 0.000 0.000 0.073) 0.073 6.034 ( 0.000 0.000 6.160) 6.160 6.401 ( 0.000 0.000 -5.764) 5.764 6.548 ( 0.000 0.000 -0.251) 0.251 7.168 ( 0.000 0.000 -5.053) 5.053 7.344 ( 0.000 0.000 -2.414) 2.414 7.567 ( 0.000 0.000 -6.787) 6.787 7.630 ( 0.000 0.000 -5.368) 5.368 7.791 ( 0.000 0.000 8.982) 8.982 9.016 ( 0.000 0.000 -15.774) 15.774 9.198 ( 0.000 0.000 -5.942) 5.942 9.283 ( 0.000 0.000 1.049) 1.049 9.506 ( 0.000 0.000 8.774) 8.774 9.752 ( 0.000 0.000 11.514) 11.514 9.843 ( 0.000 0.000 1.681) 1.681 10.123 ( 0.000 0.000 9.000) 9.000 10.302 ( 0.000 0.000 6.917) 6.917 10.379 ( 0.000 0.000 13.130) 13.130 10.698 ( 0.000 0.000 12.545) 12.545 11.124 ( 0.000 0.000 4.400) 4.400 11.218 ( 0.000 0.000 -0.398) 0.398 11.243 ( 0.000 0.000 8.095) 8.095 11.874 ( 0.000 0.000 4.685) 4.685 12.033 ( 0.000 0.000 -5.571) 5.571 12.251 ( 0.000 0.000 7.048) 7.048 12.670 ( 0.000 0.000 1.102) 1.102 12.820 ( 0.000 0.000 4.687) 4.687 12.965 ( 0.000 0.000 1.893) 1.893 13.614 ( 0.000 0.000 -0.479) 0.479 13.878 ( 0.000 0.000 3.745) 3.745 14.046 ( 0.000 0.000 3.426) 3.426 14.701 ( 0.000 0.000 -7.894) 7.894 14.822 ( 0.000 0.000 -9.068) 9.068 15.505 ( 0.000 0.000 11.403) 11.403 15.688 ( 0.000 0.000 -8.090) 8.090 16.450 ( 0.000 0.000 -28.382) 28.382 16.922 ( 0.000 0.000 -3.910) 3.910 17.132 ( 0.000 0.000 -8.582) 8.582 17.341 ( 0.000 0.000 1.253) 1.253 17.421 ( 0.000 0.000 1.160) 1.160 17.592 ( 0.000 0.000 25.136) 25.136 17.616 ( 0.000 0.000 -3.966) 3.966 18.451 ( 0.000 0.000 4.916) 4.916 18.543 ( 0.000 0.000 0.243) 0.243 19.079 ( 0.000 0.000 -16.109) 16.109 19.614 ( 0.000 0.000 -3.245) 3.245 20.164 ( 0.000 0.000 1.224) 1.224 20.563 ( 0.000 0.000 -3.452) 3.452 21.027 ( 0.000 0.000 10.164) 10.164 21.442 ( 0.000 0.000 1.187) 1.187 21.768 ( 0.000 0.000 -6.464) 6.464 21.772 ( 0.000 0.000 0.870) 0.870 23.273 ( 0.000 0.000 -8.637) 8.637 ======================= Grid point 56 (20/108) ======================= q-point: ( 0.10 0.00 0.10) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( 20.858 0.000 26.069) 33.386 0.999 ( 25.429 0.000 23.310) 34.496 1.639 ( 37.418 0.000 44.158) 57.879 2.559 ( 5.528 0.000 5.215) 7.600 2.782 ( 6.277 0.000 0.218) 6.280 3.365 ( 1.400 0.000 0.183) 1.412 3.482 ( 6.078 0.000 4.795) 7.742 3.681 ( -5.755 0.000 -2.957) 6.470 3.779 ( -10.961 0.000 4.801) 11.967 3.964 ( -1.720 0.000 -3.649) 4.034 4.048 ( 0.354 0.000 -1.402) 1.446 4.078 ( 7.499 0.000 -3.051) 8.096 4.173 ( -2.256 0.000 -4.749) 5.257 4.487 ( -5.007 0.000 5.648) 7.547 4.878 ( 11.313 0.000 1.269) 11.384 5.215 ( 3.858 0.000 8.555) 9.385 5.440 ( -5.138 0.000 -7.837) 9.371 5.629 ( -6.345 0.000 3.034) 7.033 5.723 ( -9.314 0.000 -0.624) 9.335 5.817 ( 3.111 0.000 2.272) 3.852 6.399 ( -0.391 0.000 -2.914) 2.940 6.451 ( 23.356 0.000 -3.145) 23.567 6.715 ( 12.094 0.000 -4.501) 12.905 7.148 ( -2.295 0.000 -5.269) 5.747 7.267 ( -7.955 0.000 -2.979) 8.495 7.548 ( -0.676 0.000 -5.447) 5.489 7.632 ( 0.471 0.000 -4.444) 4.469 7.830 ( 3.817 0.000 8.421) 9.246 8.742 ( -21.394 0.000 25.242) 33.088 9.051 ( -0.399 0.000 -7.897) 7.908 9.113 ( -8.613 0.000 -5.976) 10.483 9.600 ( 3.892 0.000 6.833) 7.864 9.946 ( 19.522 0.000 10.827) 22.323 10.036 ( 18.437 0.000 5.200) 19.156 10.174 ( 3.727 0.000 10.644) 11.277 10.509 ( 20.170 0.000 5.951) 21.030 10.518 ( 9.417 0.000 16.392) 18.904 10.790 ( 4.008 0.000 -7.841) 8.806 11.218 ( 0.078 0.000 3.798) 3.799 11.304 ( 5.951 0.000 5.142) 7.865 11.368 ( 10.626 0.000 5.767) 12.090 12.007 ( 13.665 0.000 3.549) 14.119 12.097 ( 5.220 0.000 -6.588) 8.405 12.361 ( 7.819 0.000 9.677) 12.441 12.583 ( -7.044 0.000 1.107) 7.131 12.885 ( 4.620 0.000 5.436) 7.134 13.026 ( 4.286 0.000 2.321) 4.874 13.634 ( 2.116 0.000 -0.510) 2.176 13.860 ( -1.556 0.000 2.689) 3.107 14.054 ( -0.648 0.000 -5.920) 5.955 14.698 ( 0.199 0.000 -7.947) 7.950 14.807 ( -1.590 0.000 -9.083) 9.222 15.453 ( -4.887 0.000 11.513) 12.507 15.691 ( 0.351 0.000 -8.231) 8.239 16.322 ( -8.620 0.000 -13.234) 15.794 16.930 ( 0.620 0.000 -4.601) 4.643 17.170 ( 3.659 0.000 -8.312) 9.082 17.196 ( -8.954 0.000 10.992) 14.177 17.291 ( -5.209 0.000 1.306) 5.370 17.376 ( -4.126 0.000 1.092) 4.268 18.110 ( 16.304 0.000 -10.093) 19.175 18.320 ( -11.266 0.000 7.163) 13.350 18.469 ( -7.667 0.000 -0.306) 7.673 19.108 ( 3.940 0.000 -14.711) 15.229 19.526 ( -8.831 0.000 -3.224) 9.401 20.027 ( -10.248 0.000 9.930) 14.269 20.566 ( 0.539 0.000 -2.838) 2.889 20.897 ( -22.272 0.000 22.240) 31.475 21.041 ( -5.235 0.000 11.992) 13.085 21.686 ( -4.930 0.000 -4.592) 6.737 21.846 ( 3.998 0.000 -1.638) 4.321 23.173 ( -9.575 0.000 -8.323) 12.687 ======================= Grid point 57 (21/108) ======================= q-point: ( 0.20 0.00 0.10) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 25.139 0.000 16.821) 30.247 1.491 ( 24.743 0.000 20.497) 32.130 2.545 ( 49.272 0.000 20.966) 53.548 2.677 ( 5.717 0.000 4.042) 7.001 2.957 ( 10.922 0.000 -0.517) 10.934 3.383 ( -0.698 0.000 0.042) 0.700 3.523 ( -14.271 0.000 5.404) 15.260 3.539 ( -4.479 0.000 0.330) 4.491 3.696 ( 11.007 0.000 -4.275) 11.808 3.892 ( -5.141 0.000 -5.492) 7.522 3.917 ( -8.246 0.000 2.142) 8.520 4.108 ( -4.127 0.000 -4.131) 5.839 4.369 ( -7.125 0.000 4.748) 8.562 4.389 ( 18.723 0.000 -6.818) 19.926 5.089 ( 5.022 0.000 -2.168) 5.470 5.307 ( 5.212 0.000 7.327) 8.991 5.355 ( -3.174 0.000 -8.792) 9.347 5.484 ( -5.928 0.000 0.116) 5.929 5.555 ( -2.516 0.000 -0.991) 2.704 5.883 ( 1.630 0.000 8.459) 8.615 6.379 ( -1.632 0.000 2.049) 2.619 6.764 ( 1.793 0.000 -10.725) 10.874 6.937 ( 0.967 0.000 -2.342) 2.534 7.063 ( -6.381 0.000 -5.650) 8.523 7.100 ( 4.417 0.000 2.374) 5.015 7.600 ( 7.044 0.000 -2.510) 7.478 7.657 ( 2.189 0.000 -2.149) 3.068 7.934 ( 6.309 0.000 7.275) 9.630 8.474 ( -8.356 0.000 23.745) 25.172 8.812 ( -14.462 0.000 1.963) 14.594 9.173 ( 5.491 0.000 -13.022) 14.132 9.640 ( 0.735 0.000 3.347) 3.427 10.240 ( 5.886 0.000 9.763) 11.400 10.306 ( 8.123 0.000 16.735) 18.603 10.435 ( 18.832 0.000 14.171) 23.569 10.783 ( 13.771 0.000 8.838) 16.363 10.989 ( 20.681 0.000 -1.246) 20.719 11.012 ( 22.876 0.000 -0.067) 22.876 11.230 ( 1.689 0.000 6.246) 6.471 11.476 ( 3.134 0.000 10.376) 10.838 11.533 ( 21.745 0.000 6.272) 22.631 12.196 ( 3.906 0.000 -2.203) 4.484 12.407 ( 25.495 0.000 1.970) 25.571 12.435 ( -7.208 0.000 1.063) 7.286 12.523 ( 9.338 0.000 13.499) 16.414 12.993 ( 8.538 0.000 8.396) 11.975 13.082 ( 0.563 0.000 3.499) 3.544 13.707 ( 5.089 0.000 -1.569) 5.325 13.841 ( 0.889 0.000 1.717) 1.933 13.994 ( -5.153 0.000 -7.852) 9.392 14.727 ( 3.097 0.000 -7.807) 8.399 14.759 ( -2.948 0.000 -9.946) 10.374 15.332 ( -6.554 0.000 11.548) 13.278 15.707 ( 1.512 0.000 -8.359) 8.495 16.182 ( -6.154 0.000 -9.812) 11.582 16.947 ( 1.256 0.000 -7.589) 7.692 17.116 ( -12.506 0.000 1.457) 12.590 17.131 ( -0.109 0.000 -0.264) 0.285 17.208 ( -5.023 0.000 -2.390) 5.562 17.335 ( 4.905 0.000 -4.327) 6.540 17.954 ( -21.867 0.000 0.732) 21.879 18.286 ( -9.257 0.000 -3.399) 9.862 18.345 ( 5.134 0.000 -0.455) 5.154 19.242 ( 8.977 0.000 -12.157) 15.112 19.268 ( -16.755 0.000 -3.003) 17.022 19.865 ( -5.613 0.000 9.549) 11.077 20.555 ( -13.005 0.000 17.785) 22.032 20.596 ( 2.642 0.000 -1.851) 3.226 20.966 ( -4.842 0.000 6.670) 8.243 21.565 ( -7.298 0.000 -4.938) 8.812 21.927 ( 3.985 0.000 -2.462) 4.684 22.921 ( -14.817 0.000 -7.651) 16.676 ======================= Grid point 58 (22/108) ======================= q-point: ( 0.30 0.00 0.10) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( 23.073 0.000 12.009) 26.011 1.984 ( 24.458 0.000 14.611) 28.490 2.788 ( 6.049 0.000 2.949) 6.729 3.185 ( 4.448 0.000 1.027) 4.565 3.239 ( -7.110 0.000 3.050) 7.737 3.318 ( -4.818 0.000 -0.986) 4.918 3.441 ( 0.256 0.000 0.621) 0.671 3.491 ( 30.620 0.000 6.169) 31.235 3.735 ( 1.172 0.000 6.026) 6.139 3.774 ( -6.121 0.000 -6.132) 8.664 4.009 ( 17.037 0.000 -8.421) 19.005 4.023 ( -3.860 0.000 -2.674) 4.696 4.203 ( -9.168 0.000 3.849) 9.943 4.797 ( 21.519 0.000 -7.987) 22.953 4.910 ( -17.366 0.000 -8.329) 19.260 5.253 ( -8.101 0.000 -17.452) 19.241 5.445 ( 2.000 0.000 7.174) 7.447 5.523 ( 14.241 0.000 1.782) 14.352 5.675 ( 10.498 0.000 5.251) 11.738 5.885 ( -0.944 0.000 12.942) 12.977 6.335 ( -2.692 0.000 5.227) 5.879 6.548 ( -21.116 0.000 -6.998) 22.245 6.689 ( -15.090 0.000 -2.524) 15.300 6.894 ( -10.448 0.000 -5.435) 11.777 7.461 ( 19.591 0.000 2.685) 19.774 7.724 ( 4.602 0.000 0.407) 4.620 7.809 ( 12.404 0.000 1.177) 12.460 8.063 ( 6.135 0.000 6.167) 8.700 8.339 ( -6.097 0.000 19.658) 20.582 8.525 ( -14.128 0.000 2.277) 14.311 9.285 ( 5.758 0.000 -8.254) 10.064 9.638 ( -0.954 0.000 -0.402) 1.035 10.326 ( 2.942 0.000 10.260) 10.673 10.388 ( 2.305 0.000 18.710) 18.852 10.749 ( 12.522 0.000 18.913) 22.683 11.043 ( 13.366 0.000 9.418) 16.351 11.189 ( -0.047 0.000 5.483) 5.484 11.349 ( 8.509 0.000 4.723) 9.732 11.355 ( 10.293 0.000 2.597) 10.615 11.583 ( 7.894 0.000 3.730) 8.731 12.123 ( 21.687 0.000 0.171) 21.687 12.209 ( -3.664 0.000 8.753) 9.489 12.337 ( 3.009 0.000 4.697) 5.578 12.757 ( 13.934 0.000 12.337) 18.611 12.979 ( 22.570 0.000 2.092) 22.667 13.055 ( 6.992 0.000 4.945) 8.564 13.372 ( 31.021 0.000 0.427) 31.024 13.783 ( 2.392 0.000 -2.692) 3.601 13.872 ( -5.492 0.000 -2.245) 5.933 13.970 ( 11.364 0.000 1.788) 11.503 14.714 ( -0.586 0.000 -12.843) 12.856 14.834 ( 7.846 0.000 -5.722) 9.711 15.224 ( -3.408 0.000 10.994) 11.510 15.767 ( 5.129 0.000 -7.793) 9.329 16.034 ( -9.397 0.000 -11.760) 15.053 16.778 ( -21.658 0.000 1.998) 21.750 16.981 ( 1.502 0.000 -10.382) 10.490 17.030 ( -11.597 0.000 -0.184) 11.598 17.138 ( -0.128 0.000 -4.155) 4.157 17.428 ( -29.865 0.000 2.621) 29.980 17.508 ( 10.888 0.000 -6.048) 12.455 18.142 ( -4.449 0.000 -4.307) 6.192 18.379 ( -1.203 0.000 1.287) 1.762 18.880 ( -21.450 0.000 -2.783) 21.630 19.439 ( 10.119 0.000 -7.598) 12.654 19.795 ( -1.620 0.000 2.307) 2.819 20.341 ( -8.362 0.000 15.764) 17.844 20.675 ( 5.314 0.000 -1.324) 5.476 20.833 ( -8.528 0.000 4.177) 9.496 21.396 ( -9.577 0.000 -4.097) 10.416 22.003 ( 3.694 0.000 -4.034) 5.470 22.621 ( -14.535 0.000 -7.095) 16.175 ======================= Grid point 59 (23/108) ======================= q-point: ( 0.40 0.00 0.10) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( 18.060 0.000 9.342) 20.334 2.453 ( 22.385 0.000 9.414) 24.284 2.907 ( -9.156 0.000 4.708) 10.296 2.961 ( 4.707 0.000 4.490) 6.505 3.165 ( -11.093 0.000 0.149) 11.094 3.361 ( -1.128 0.000 -1.888) 2.200 3.378 ( -2.346 0.000 0.384) 2.378 3.458 ( -7.989 0.000 1.051) 8.058 3.722 ( 4.124 0.000 -6.826) 7.975 3.970 ( -2.699 0.000 1.638) 3.157 4.042 ( -3.946 0.000 -1.605) 4.260 4.345 ( 21.592 0.000 -12.717) 25.059 4.483 ( 39.018 0.000 3.833) 39.206 4.532 ( -19.425 0.000 -9.331) 21.550 5.025 ( -11.494 0.000 -21.378) 24.273 5.231 ( 17.351 0.000 -4.195) 17.851 5.507 ( 2.936 0.000 7.424) 7.984 5.790 ( 11.348 0.000 0.298) 11.352 5.870 ( 0.338 0.000 14.300) 14.304 5.885 ( 9.116 0.000 6.314) 11.089 6.042 ( -27.858 0.000 -2.440) 27.964 6.293 ( -0.239 0.000 4.328) 4.334 6.349 ( -18.640 0.000 -1.558) 18.705 6.657 ( -13.040 0.000 -4.123) 13.677 7.799 ( 14.238 0.000 5.808) 15.378 7.844 ( 7.546 0.000 2.479) 7.942 8.037 ( 9.425 0.000 2.691) 9.801 8.158 ( 2.816 0.000 5.518) 6.195 8.210 ( -7.146 0.000 15.126) 16.729 8.256 ( -12.743 0.000 3.203) 13.140 9.402 ( 5.903 0.000 -5.145) 7.830 9.598 ( -3.141 0.000 -3.003) 4.346 10.370 ( 2.079 0.000 15.152) 15.294 10.424 ( 0.808 0.000 17.451) 17.470 10.939 ( 7.149 0.000 18.453) 19.790 11.146 ( -3.638 0.000 11.908) 12.451 11.291 ( 10.321 0.000 9.111) 13.767 11.434 ( 2.504 0.000 6.054) 6.551 11.603 ( 14.202 0.000 -0.593) 14.214 11.692 ( 3.947 0.000 0.754) 4.018 12.058 ( -10.514 0.000 12.616) 16.422 12.108 ( -8.512 0.000 -2.947) 9.008 12.614 ( 11.157 0.000 7.853) 13.643 12.900 ( -6.994 0.000 7.278) 10.094 13.054 ( 15.499 0.000 7.362) 17.158 13.605 ( -9.655 0.000 -4.105) 10.492 13.707 ( 26.696 0.000 1.077) 26.718 13.837 ( 3.239 0.000 -1.606) 3.615 14.223 ( 16.932 0.000 -0.183) 16.933 14.305 ( 45.292 0.000 4.580) 45.523 14.742 ( 1.200 0.000 -13.725) 13.777 15.030 ( 10.468 0.000 -0.658) 10.489 15.246 ( 7.443 0.000 7.441) 10.525 15.823 ( -9.641 0.000 -14.941) 17.781 15.926 ( 8.254 0.000 -6.961) 10.797 16.280 ( -24.480 0.000 4.109) 24.823 16.652 ( -37.840 0.000 -2.420) 37.917 16.746 ( -17.132 0.000 -0.178) 17.133 17.080 ( 1.748 0.000 -7.304) 7.511 17.156 ( -1.119 0.000 -5.133) 5.253 17.754 ( 13.740 0.000 -5.302) 14.728 18.120 ( 1.979 0.000 -3.005) 3.598 18.313 ( -5.004 0.000 1.141) 5.132 18.447 ( -21.201 0.000 -3.140) 21.432 19.612 ( 6.780 0.000 -0.388) 6.792 19.778 ( -1.213 0.000 -3.892) 4.077 20.260 ( 1.590 0.000 12.650) 12.750 20.631 ( -11.442 0.000 3.128) 11.862 20.807 ( 7.875 0.000 -1.311) 7.983 21.192 ( -10.630 0.000 -2.830) 11.000 22.081 ( 4.400 0.000 -5.428) 6.987 22.365 ( -10.874 0.000 -6.760) 12.803 ======================= Grid point 60 (24/108) ======================= q-point: (-0.50 0.00 0.10) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.627 ( -14.668 0.000 7.772) 16.600 2.627 ( 14.668 0.000 7.772) 16.600 2.864 ( -18.536 0.000 4.827) 19.154 2.864 ( 18.536 0.000 4.827) 19.154 3.189 ( -12.440 0.000 0.747) 12.462 3.189 ( 12.440 0.000 0.747) 12.462 3.366 ( -1.525 0.000 -0.042) 1.525 3.366 ( 1.525 0.000 -0.042) 1.525 3.858 ( -6.505 0.000 -2.563) 6.992 3.858 ( 6.505 0.000 -2.563) 6.992 4.176 ( -14.846 0.000 -6.374) 16.157 4.176 ( 14.846 0.000 -6.374) 16.157 4.715 ( -16.703 0.000 -17.979) 24.540 4.715 ( 16.703 0.000 -17.979) 24.540 5.227 ( -27.686 0.000 -0.438) 27.689 5.227 ( 27.686 0.000 -0.438) 27.689 5.601 ( -10.135 0.000 4.657) 11.153 5.601 ( 10.135 0.000 4.657) 11.154 5.946 ( -3.598 0.000 4.178) 5.514 5.946 ( 3.598 0.000 4.178) 5.514 6.001 ( -13.800 0.000 4.611) 14.550 6.001 ( 13.800 0.000 4.611) 14.550 6.403 ( -11.147 0.000 -0.958) 11.188 6.403 ( 11.147 0.000 -0.958) 11.188 8.024 ( -10.458 0.000 3.483) 11.023 8.024 ( 10.458 0.000 3.483) 11.023 8.037 ( -9.977 0.000 10.868) 14.753 8.037 ( 9.977 0.000 10.868) 14.753 8.163 ( -2.846 0.000 3.680) 4.652 8.163 ( 2.846 0.000 3.680) 4.652 9.514 ( -5.154 0.000 -4.025) 6.540 9.514 ( 5.154 0.000 -4.025) 6.540 10.412 ( -1.803 0.000 17.372) 17.465 10.412 ( 1.803 0.000 17.372) 17.465 11.057 ( -5.123 0.000 15.724) 16.537 11.057 ( 5.123 0.000 15.724) 16.537 11.428 ( -3.721 0.000 4.084) 5.525 11.428 ( 3.721 0.000 4.084) 5.525 11.835 ( -10.580 0.000 9.899) 14.489 11.835 ( 10.580 0.000 9.899) 14.489 11.887 ( -13.386 0.000 -2.022) 13.537 11.887 ( 13.386 0.000 -2.022) 13.537 12.770 ( -6.216 0.000 8.230) 10.313 12.770 ( 6.216 0.000 8.230) 10.313 13.356 ( -14.362 0.000 1.690) 14.461 13.356 ( 14.362 0.000 1.690) 14.461 13.892 ( -1.004 0.000 -0.196) 1.023 13.892 ( 1.004 0.000 -0.196) 1.023 14.630 ( -14.956 0.000 -6.205) 16.192 14.630 ( 14.956 0.000 -6.205) 16.192 15.029 ( -19.099 0.000 2.003) 19.204 15.029 ( 19.099 0.000 2.003) 19.204 15.590 ( -26.590 0.000 0.832) 26.603 15.590 ( 26.590 0.000 0.832) 26.603 15.922 ( -27.040 0.000 -8.318) 28.290 15.922 ( 27.040 0.000 -8.318) 28.290 16.365 ( -19.614 0.000 -0.042) 19.614 16.365 ( 19.614 0.000 -0.042) 19.614 17.126 ( -2.084 0.000 -7.229) 7.523 17.126 ( 2.084 0.000 -7.229) 7.523 18.061 ( -17.370 0.000 -4.176) 17.865 18.061 ( 17.370 0.000 -4.176) 17.865 18.202 ( -5.572 0.000 -0.741) 5.621 18.202 ( 5.572 0.000 -0.741) 5.621 19.719 ( -4.383 0.000 0.079) 4.383 19.719 ( 4.383 0.000 0.079) 4.383 20.400 ( -10.815 0.000 5.259) 12.026 20.400 ( 10.815 0.000 5.259) 12.026 20.985 ( -9.899 0.000 -1.810) 10.064 20.985 ( 9.900 0.000 -1.810) 10.064 22.190 ( -6.898 0.000 -6.314) 9.352 22.190 ( 6.898 0.000 -6.314) 9.352 ======================= Grid point 66 (25/108) ======================= q-point: ( 0.00 0.20 0.10) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( 0.000 21.461 21.960) 30.706 1.007 ( 0.000 24.305 23.169) 33.578 1.719 ( 0.000 39.286 43.715) 58.774 2.320 ( 0.000 -15.575 7.035) 17.090 2.521 ( 0.000 -17.512 1.588) 17.583 3.419 ( 0.000 5.522 -0.853) 5.588 3.568 ( 0.000 10.797 5.180) 11.975 3.773 ( 0.000 -0.381 -1.083) 1.148 3.866 ( 0.000 -2.524 -4.535) 5.189 3.887 ( 0.000 -2.739 7.105) 7.615 4.028 ( 0.000 5.397 -8.797) 10.321 4.210 ( 0.000 0.034 -0.986) 0.987 4.221 ( 0.000 9.694 3.062) 10.167 4.596 ( 0.000 -3.270 2.968) 4.417 4.695 ( 0.000 -4.369 -0.745) 4.432 4.696 ( 0.000 -27.644 12.410) 30.302 5.277 ( 0.000 -19.014 4.660) 19.576 5.387 ( 0.000 -11.347 -6.141) 12.902 5.947 ( 0.000 6.754 5.503) 8.712 6.023 ( 0.000 -0.134 4.743) 4.745 6.404 ( 0.000 27.203 -2.467) 27.315 6.560 ( 0.000 12.927 -4.613) 13.726 6.626 ( 0.000 7.385 -1.488) 7.534 7.133 ( 0.000 -3.898 -4.674) 6.087 7.291 ( 0.000 -5.364 -2.220) 5.806 7.477 ( 0.000 -6.837 -7.943) 10.481 7.841 ( 0.000 4.795 8.786) 10.009 8.017 ( 0.000 14.342 -10.102) 17.542 8.994 ( 0.000 -1.671 -14.388) 14.485 9.038 ( 0.000 -5.533 -9.914) 11.353 9.404 ( 0.000 3.204 -0.959) 3.345 9.433 ( 0.000 -3.757 7.483) 8.373 9.747 ( 0.000 -0.095 10.964) 10.964 9.824 ( 0.000 -1.617 2.704) 3.151 10.304 ( 0.000 0.219 7.372) 7.375 10.358 ( 0.000 1.492 10.809) 10.911 10.436 ( 0.000 22.196 10.586) 24.591 10.735 ( 0.000 3.784 11.061) 11.691 11.041 ( 0.000 -4.759 3.025) 5.639 11.294 ( 0.000 1.016 2.251) 2.469 11.307 ( 0.000 6.685 6.761) 9.508 11.895 ( 0.000 2.396 3.159) 3.965 12.125 ( 0.000 7.354 -9.079) 11.684 12.220 ( 0.000 -3.077 6.940) 7.592 12.618 ( 0.000 -5.052 0.225) 5.057 12.723 ( 0.000 -22.105 2.578) 22.255 12.964 ( 0.000 9.817 5.587) 11.295 13.533 ( 0.000 -7.493 0.093) 7.494 13.885 ( 0.000 4.469 1.503) 4.715 14.255 ( 0.000 15.452 -3.606) 15.867 14.592 ( 0.000 -9.634 -5.172) 10.935 14.823 ( 0.000 -0.716 -8.716) 8.745 15.300 ( 0.000 -19.459 13.880) 23.902 15.379 ( 0.000 -10.756 4.308) 11.587 16.553 ( 0.000 8.512 -19.370) 21.158 16.914 ( 0.000 -1.150 -4.300) 4.451 17.165 ( 0.000 -0.316 -3.351) 3.366 17.290 ( 0.000 -4.623 1.436) 4.841 17.374 ( 0.000 4.955 2.405) 5.508 17.803 ( 0.000 13.934 14.024) 19.770 17.881 ( 0.000 13.120 -18.166) 22.408 18.423 ( 0.000 -11.159 -1.406) 11.247 18.496 ( 0.000 4.840 5.350) 7.215 19.064 ( 0.000 -1.307 -15.555) 15.610 19.358 ( 0.000 -23.819 6.813) 24.775 19.519 ( 0.000 -26.430 13.105) 29.500 20.672 ( 0.000 -1.548 15.548) 15.625 20.990 ( 0.000 15.095 2.229) 15.259 20.994 ( 0.000 -3.334 10.564) 11.078 21.722 ( 0.000 -4.605 -6.058) 7.609 22.867 ( 0.000 29.600 -32.043) 43.622 23.268 ( 0.000 -0.510 -9.071) 9.085 ======================= Grid point 67 (26/108) ======================= q-point: ( 0.10 0.20 0.10) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 17.581 19.396 18.266) 31.921 1.184 ( 21.989 16.942 17.347) 32.733 1.998 ( 27.737 31.667 35.470) 55.047 2.401 ( 7.205 -13.506 6.728) 16.721 2.594 ( 7.155 -16.890 0.919) 18.366 3.452 ( 2.421 5.550 -0.934) 6.127 3.536 ( -1.779 7.268 4.858) 8.921 3.677 ( -6.346 -0.023 -1.021) 6.428 3.812 ( -5.850 0.905 4.824) 7.637 3.990 ( 7.533 -4.901 -5.118) 10.342 4.017 ( -1.284 3.532 -6.120) 7.182 4.126 ( -5.240 5.299 1.545) 7.611 4.243 ( 0.766 6.185 -1.028) 6.317 4.501 ( -4.905 -0.345 1.218) 5.066 4.706 ( 1.603 -34.135 11.375) 36.016 4.881 ( 12.908 -0.088 0.751) 12.930 5.252 ( -2.153 -17.381 0.054) 17.514 5.423 ( 2.082 -11.283 -3.921) 12.125 5.920 ( -7.108 10.575 3.812) 13.300 6.036 ( 4.878 7.893 3.642) 9.967 6.475 ( 2.088 10.344 -6.819) 12.564 6.589 ( 3.965 11.256 -1.915) 12.087 6.742 ( 12.458 7.012 1.571) 14.382 7.119 ( -1.898 -3.682 -5.016) 6.506 7.202 ( -8.136 -5.524 -3.349) 10.389 7.483 ( 0.921 -5.952 -5.639) 8.251 7.876 ( 3.426 4.452 8.470) 10.163 7.995 ( -2.036 17.095 -9.870) 19.845 8.741 ( -19.164 2.118 7.664) 20.748 9.036 ( 2.363 -2.243 -13.231) 13.626 9.152 ( -14.081 4.076 3.825) 15.150 9.502 ( 2.697 -6.704 6.931) 10.012 9.964 ( 20.337 1.235 10.712) 23.019 10.028 ( 18.303 -0.429 5.554) 19.132 10.413 ( 5.926 13.152 6.970) 16.021 10.508 ( 11.403 -1.303 11.765) 16.436 10.524 ( 11.634 8.020 11.522) 18.232 10.802 ( 6.969 2.340 -0.896) 7.405 11.211 ( 10.443 -6.080 4.054) 12.746 11.261 ( -0.965 2.265 5.540) 6.062 11.390 ( 4.874 1.910 7.544) 9.183 12.011 ( 10.569 2.158 -0.813) 10.818 12.194 ( 7.424 7.182 -4.283) 11.182 12.356 ( 8.831 -2.998 4.448) 10.332 12.524 ( -3.627 -6.019 3.287) 7.758 12.825 ( 5.803 -17.355 1.962) 18.404 12.978 ( 1.516 7.899 6.738) 10.493 13.550 ( 1.999 -7.687 -0.221) 7.946 13.869 ( -1.474 4.186 0.474) 4.464 14.250 ( -0.914 15.012 -7.057) 16.613 14.578 ( -1.156 -10.066 -5.127) 11.355 14.816 ( -0.767 -0.416 -8.113) 8.160 15.304 ( -1.113 -16.258 6.120) 17.407 15.380 ( 1.127 -13.295 5.490) 14.428 16.522 ( -2.862 11.512 -16.448) 20.279 16.908 ( -1.211 -1.870 -4.312) 4.854 17.152 ( -4.289 -2.649 4.538) 6.783 17.253 ( -1.263 9.574 -6.483) 11.631 17.265 ( -5.098 -3.290 2.855) 6.705 17.630 ( -6.698 18.061 -0.307) 19.266 18.127 ( 9.940 -0.237 -7.692) 12.571 18.319 ( -9.525 -6.769 -3.117) 12.094 18.412 ( -8.202 2.333 8.501) 12.041 19.082 ( 3.132 -2.481 -14.790) 15.320 19.323 ( -5.293 -16.803 -0.329) 17.620 19.532 ( 1.674 -26.651 14.575) 30.422 20.593 ( -7.099 -1.143 14.798) 16.452 20.845 ( -8.260 3.823 6.658) 11.277 21.088 ( 3.438 9.944 4.050) 11.274 21.758 ( 3.073 -4.252 -6.253) 8.163 22.483 ( -26.804 35.779 -13.651) 46.743 23.160 ( -10.409 -1.471 -8.668) 13.625 ======================= Grid point 68 (27/108) ======================= q-point: ( 0.20 0.20 0.10) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( 21.519 14.297 13.245) 29.033 1.651 ( 23.071 13.380 14.741) 30.472 2.538 ( 8.810 -11.892 5.100) 15.654 2.748 ( 39.862 17.908 19.088) 47.687 2.796 ( 13.680 -13.899 0.408) 19.506 3.454 ( -3.011 5.495 1.259) 6.391 3.475 ( -6.923 0.456 2.648) 7.426 3.547 ( -5.613 0.641 1.109) 5.758 3.740 ( -0.632 2.049 -2.024) 2.949 3.909 ( -7.762 -0.342 0.115) 7.770 4.068 ( 1.105 12.878 -3.266) 13.332 4.088 ( -0.989 -2.361 -5.651) 6.204 4.288 ( -0.035 -1.110 3.890) 4.045 4.465 ( 6.215 1.808 -5.183) 8.292 4.775 ( 5.170 -28.539 8.455) 30.210 5.150 ( 7.826 -7.945 -3.063) 11.565 5.190 ( 1.092 -10.142 0.023) 10.200 5.446 ( 0.217 -4.430 -6.469) 7.843 5.805 ( -2.837 16.444 4.738) 17.347 6.071 ( -1.243 10.646 3.495) 11.274 6.446 ( -3.634 5.937 -0.091) 6.961 6.682 ( 1.637 -2.821 -4.389) 5.469 6.926 ( -11.259 -2.663 -4.590) 12.447 7.005 ( -2.337 -2.525 -2.691) 4.368 7.141 ( 10.254 2.678 0.806) 10.629 7.558 ( 7.847 -4.156 -2.218) 9.153 7.957 ( -1.108 19.856 -6.709) 20.988 7.969 ( 5.554 3.393 7.781) 10.144 8.464 ( -9.094 0.892 17.471) 19.716 8.885 ( -12.787 6.753 2.993) 14.767 9.101 ( 3.548 -6.538 -11.692) 13.858 9.529 ( 0.354 -9.198 4.670) 10.322 10.319 ( 11.279 2.576 16.351) 20.030 10.377 ( 10.469 5.584 10.781) 16.032 10.509 ( 8.586 10.450 11.713) 17.891 10.788 ( 14.472 1.391 8.472) 16.827 10.915 ( 23.597 -4.075 2.978) 24.131 11.087 ( 17.113 3.774 -0.452) 17.530 11.270 ( 4.102 2.830 6.601) 8.271 11.449 ( 12.037 -1.886 7.179) 14.142 11.481 ( 12.390 -3.302 9.253) 15.812 12.194 ( 5.857 0.208 -3.674) 6.917 12.339 ( -4.795 -7.651 1.109) 9.097 12.483 ( 19.528 6.689 4.854) 21.205 12.654 ( 12.948 7.929 7.755) 17.049 12.902 ( 1.597 -15.298 3.168) 15.704 13.056 ( 8.447 6.105 6.903) 12.501 13.632 ( 6.506 -6.949 -1.522) 9.640 13.839 ( -0.879 3.105 0.602) 3.283 14.207 ( -3.457 15.842 -7.823) 18.003 14.559 ( -0.511 -11.132 -5.231) 12.311 14.800 ( -0.287 -0.055 -7.058) 7.064 15.244 ( -3.934 -9.060 4.096) 10.693 15.426 ( 2.754 -17.302 -1.767) 17.609 16.448 ( -4.532 16.183 -11.872) 20.576 16.832 ( -6.385 -5.045 -3.505) 8.861 17.082 ( -0.620 2.297 -0.344) 2.404 17.126 ( -8.690 -4.011 0.875) 9.611 17.334 ( 6.615 2.718 -6.637) 9.757 17.499 ( -7.079 17.786 -2.960) 19.371 18.012 ( -20.212 4.570 -2.941) 20.930 18.171 ( -6.978 -11.185 -3.857) 13.736 18.309 ( 0.197 -2.000 5.083) 5.466 19.088 ( -11.258 -13.424 -6.406) 18.654 19.246 ( 6.237 -2.525 -8.460) 10.809 19.569 ( 1.714 -20.083 10.744) 22.841 20.427 ( -8.994 -2.130 13.392) 16.272 20.679 ( -8.094 0.057 5.634) 9.861 21.132 ( 1.131 14.945 1.428) 15.055 21.809 ( 0.240 1.376 -8.870) 8.979 22.057 ( -14.354 23.080 -1.797) 27.239 22.890 ( -15.660 -3.316 -7.721) 17.772 ======================= Grid point 69 (28/108) ======================= q-point: ( 0.30 0.20 0.10) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( 20.846 9.285 9.095) 24.566 2.105 ( 22.379 10.556 12.137) 27.560 2.687 ( 7.601 -8.965 3.265) 12.198 3.054 ( 11.889 -13.723 -1.824) 18.248 3.248 ( -11.036 3.087 4.330) 12.250 3.370 ( -5.183 4.638 -0.220) 6.959 3.469 ( -0.605 -0.783 -0.565) 1.140 3.542 ( 19.171 5.256 5.100) 20.523 3.687 ( -5.807 -2.238 -4.388) 7.615 3.815 ( 11.001 8.065 7.896) 15.761 4.022 ( -2.173 0.597 -3.392) 4.072 4.165 ( -7.583 -1.145 4.069) 8.682 4.220 ( 11.428 12.738 -7.626) 18.735 4.689 ( 2.510 -9.856 -8.492) 13.249 4.850 ( 7.451 -5.410 -0.356) 9.215 5.109 ( 2.509 -18.431 -1.276) 18.644 5.366 ( 1.519 1.816 -9.233) 9.531 5.511 ( 10.350 -0.632 -1.289) 10.450 5.819 ( 3.385 9.790 7.709) 12.912 6.011 ( -4.337 8.013 5.834) 10.819 6.356 ( -5.108 2.100 4.090) 6.873 6.531 ( -18.351 -1.497 -5.268) 19.150 6.632 ( -12.999 -3.533 -0.440) 13.478 6.862 ( -9.856 -3.367 -4.288) 11.263 7.465 ( 17.147 2.514 2.648) 17.531 7.771 ( 11.346 -2.727 0.832) 11.698 7.980 ( 4.190 18.290 -1.677) 18.839 8.079 ( 4.916 1.670 6.956) 8.680 8.326 ( -5.753 0.036 16.700) 17.663 8.637 ( -11.911 10.295 2.229) 15.901 9.180 ( 4.436 -9.805 -7.108) 12.897 9.521 ( -1.262 -10.621 0.772) 10.724 10.424 ( 1.628 6.391 16.314) 17.597 10.482 ( 3.816 10.849 11.816) 16.489 10.750 ( 11.698 -0.027 19.153) 22.443 11.053 ( 12.857 0.920 9.536) 16.034 11.179 ( -0.416 -2.475 8.894) 9.241 11.275 ( 11.394 -3.807 0.147) 12.014 11.429 ( 4.778 4.628 5.781) 8.813 11.615 ( 11.093 3.680 2.508) 11.954 12.009 ( 18.236 -8.196 0.329) 19.995 12.254 ( 4.537 -3.214 9.346) 10.875 12.263 ( -3.196 -0.408 4.520) 5.551 12.823 ( 6.510 -3.760 5.430) 9.274 12.895 ( 8.948 -1.777 8.151) 12.234 13.082 ( 28.140 5.608 2.073) 28.768 13.436 ( 31.023 5.549 0.231) 31.516 13.740 ( 0.964 0.487 -3.242) 3.418 13.928 ( 12.922 -2.334 2.474) 13.362 14.124 ( -3.857 15.919 -3.166) 16.683 14.564 ( 1.303 -9.681 -6.678) 11.833 14.835 ( 4.498 -2.038 -4.735) 6.841 15.183 ( -1.374 -5.002 2.942) 5.963 15.475 ( 2.069 -17.905 -6.699) 19.229 16.342 ( -5.798 18.587 -10.644) 22.190 16.641 ( -14.332 -5.953 -1.139) 15.561 16.906 ( -13.681 -5.029 -0.126) 14.577 17.101 ( 1.619 3.675 -5.194) 6.566 17.355 ( -6.671 14.578 -5.218) 16.860 17.493 ( 6.837 -0.103 -5.815) 8.976 17.517 ( -26.035 8.023 -0.207) 27.245 18.052 ( -3.469 -9.132 -5.037) 10.990 18.282 ( -3.729 -7.797 3.938) 9.498 18.773 ( -18.071 -10.900 -4.392) 21.556 19.436 ( 10.695 -0.852 -6.342) 12.463 19.608 ( 2.660 -13.679 5.426) 14.954 20.248 ( -8.584 -4.018 13.051) 16.129 20.525 ( -7.554 -6.920 4.513) 11.194 21.145 ( 0.634 19.574 -0.662) 19.595 21.670 ( -11.394 20.005 -6.817) 24.010 21.968 ( 1.910 -2.577 -2.511) 4.074 22.577 ( -14.974 -4.553 -6.993) 17.142 ======================= Grid point 70 (29/108) ======================= q-point: ( 0.40 0.20 0.10) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( 16.601 5.766 7.040) 18.932 2.523 ( 18.610 6.663 8.402) 21.479 2.862 ( 9.694 -6.608 1.976) 11.897 2.994 ( -10.992 5.142 6.112) 13.588 3.180 ( -2.199 -5.598 -1.171) 6.127 3.251 ( -7.128 2.836 1.404) 7.798 3.476 ( -6.769 0.965 0.135) 6.839 3.530 ( -5.273 6.154 -1.805) 8.303 3.605 ( 9.766 -8.347 -5.063) 13.809 3.931 ( -1.110 -2.163 -2.483) 3.475 3.990 ( -7.458 -3.041 0.385) 8.063 4.401 ( -9.444 -5.363 -8.195) 13.605 4.546 ( 11.856 9.905 -9.337) 18.051 4.565 ( 35.340 7.369 4.165) 36.340 5.100 ( -6.666 4.671 -15.232) 17.270 5.192 ( 18.327 -4.414 -5.343) 19.594 5.426 ( 7.074 -5.848 4.687) 10.306 5.688 ( 4.253 -5.911 0.329) 7.290 5.854 ( -8.556 -1.683 1.511) 8.850 5.920 ( -4.455 0.523 8.369) 9.495 6.114 ( -11.987 5.356 1.770) 13.248 6.301 ( -1.151 0.407 4.754) 4.908 6.358 ( -13.736 1.983 1.317) 13.941 6.640 ( -12.205 -1.979 -3.014) 12.726 7.774 ( 13.664 1.273 4.673) 14.497 7.948 ( 6.928 1.571 3.749) 8.033 8.117 ( 6.869 8.817 3.131) 11.607 8.138 ( 0.010 -0.493 5.826) 5.847 8.214 ( -4.753 4.023 12.248) 13.740 8.423 ( -9.184 13.794 2.350) 16.738 9.279 ( 5.452 -11.612 -4.323) 13.537 9.475 ( -3.357 -11.553 -2.214) 12.233 10.459 ( 2.185 8.264 16.465) 18.552 10.525 ( 0.433 9.606 15.755) 18.458 10.935 ( 7.101 -0.791 19.042) 20.338 11.133 ( -3.247 -2.196 12.681) 13.273 11.299 ( 10.430 0.642 8.723) 13.612 11.438 ( 3.729 0.347 3.962) 5.452 11.562 ( 10.957 -3.809 2.083) 11.786 11.750 ( 3.539 5.259 -0.566) 6.364 12.027 ( -6.061 -6.100 0.460) 8.611 12.124 ( -9.423 5.422 8.573) 13.845 12.464 ( 8.567 -10.030 9.179) 16.070 12.733 ( -7.085 -12.546 6.372) 15.754 13.235 ( 16.469 11.725 6.178) 21.139 13.659 ( 18.091 -1.998 0.964) 18.227 13.699 ( -0.730 3.310 -0.054) 3.390 13.921 ( 1.139 6.667 -5.701) 8.846 14.286 ( 22.135 6.258 -1.438) 23.047 14.372 ( 38.964 7.203 5.375) 39.987 14.629 ( 5.871 -6.923 -6.790) 11.336 14.987 ( 10.553 -5.464 -3.566) 12.407 15.225 ( 6.717 -3.333 3.168) 8.141 15.501 ( 0.822 -18.183 -10.218) 20.873 16.143 ( -24.315 2.322 -4.357) 24.811 16.318 ( -10.534 6.744 -4.004) 13.133 16.534 ( -21.567 0.247 0.567) 21.576 16.950 ( -23.518 12.812 -1.651) 26.832 17.151 ( 1.607 4.499 -6.600) 8.148 17.253 ( -3.696 8.887 -6.779) 11.773 17.700 ( 11.299 -4.283 -4.678) 12.957 18.050 ( 3.073 -7.560 -4.432) 9.287 18.158 ( -8.719 -10.888 2.415) 14.156 18.421 ( -15.956 -6.377 -4.670) 17.807 19.615 ( 6.245 -0.172 4.546) 7.726 19.691 ( 4.977 -5.912 -5.127) 9.274 20.118 ( -2.899 -8.808 12.435) 15.512 20.364 ( -8.873 -12.612 3.766) 15.874 21.177 ( 3.084 21.743 -1.950) 22.047 21.450 ( -10.168 20.036 -4.052) 22.832 22.031 ( 4.133 -4.993 -5.060) 8.223 22.315 ( -11.050 -5.093 -6.607) 13.845 ======================= Grid point 71 (30/108) ======================= q-point: (-0.50 0.20 0.10) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.644 ( -9.866 2.603 6.133) 11.905 2.644 ( 9.866 2.603 6.133) 11.905 2.957 ( -8.656 5.286 4.161) 10.963 2.957 ( 8.656 5.286 4.161) 10.963 3.114 ( -5.705 -2.960 1.050) 6.512 3.114 ( 5.705 -2.960 1.050) 6.512 3.421 ( -2.100 2.482 -0.163) 3.256 3.421 ( 2.100 2.482 -0.163) 3.256 3.826 ( -7.708 -2.236 -2.858) 8.519 3.826 ( 7.708 -2.236 -2.858) 8.519 4.076 ( -14.638 -7.672 -6.364) 17.710 4.076 ( 14.638 -7.672 -6.364) 17.710 4.855 ( -14.736 11.462 -15.622) 24.343 4.855 ( 14.736 11.462 -15.622) 24.343 5.272 ( -27.010 4.276 0.868) 27.360 5.272 ( 27.010 4.276 0.868) 27.360 5.543 ( -4.713 -5.910 1.026) 7.628 5.543 ( 4.713 -5.910 1.026) 7.628 5.755 ( -6.068 -10.604 4.095) 12.885 5.755 ( 6.068 -10.604 4.095) 12.885 6.154 ( -6.418 7.425 5.533) 11.267 6.154 ( 6.418 7.425 5.533) 11.267 6.400 ( -10.542 -0.560 0.180) 10.559 6.400 ( 10.542 -0.560 0.180) 10.559 8.003 ( -8.257 0.565 6.636) 10.608 8.003 ( 8.257 0.565 6.636) 10.608 8.094 ( -3.974 0.428 8.150) 9.077 8.094 ( 3.974 0.428 8.150) 9.077 8.280 ( -5.971 13.408 2.039) 14.819 8.280 ( 5.971 13.408 2.039) 14.819 9.388 ( -5.195 -11.985 -3.374) 13.491 9.388 ( 5.195 -11.985 -3.374) 13.491 10.505 ( -2.101 8.904 17.201) 19.482 10.505 ( 2.101 8.904 17.201) 19.482 11.051 ( -4.861 -1.253 16.141) 16.904 11.051 ( 4.861 -1.253 16.141) 16.904 11.442 ( -3.563 1.200 4.874) 6.155 11.442 ( 3.563 1.200 4.874) 6.155 11.772 ( -6.220 -6.457 1.012) 9.023 11.772 ( 6.220 -6.457 1.012) 9.023 11.949 ( -4.433 6.506 5.544) 9.630 11.949 ( 4.433 6.506 5.544) 9.630 12.598 ( -6.226 -12.140 8.100) 15.867 12.598 ( 6.226 -12.140 8.100) 15.867 13.518 ( -11.906 10.549 2.080) 16.043 13.518 ( 11.906 10.549 2.080) 16.043 13.884 ( -3.597 -1.237 -0.114) 3.806 13.884 ( 3.597 -1.237 -0.114) 3.806 14.606 ( -6.432 0.835 -4.945) 8.156 14.606 ( 6.432 0.835 -4.945) 8.156 15.091 ( -12.749 3.862 -0.998) 13.358 15.091 ( 12.749 3.862 -0.998) 13.358 15.514 ( -26.741 -6.613 0.267) 27.548 15.514 ( 26.741 -6.613 0.267) 27.548 15.764 ( -29.863 -11.815 -4.132) 32.380 15.764 ( 29.863 -11.815 -4.132) 32.380 16.566 ( -14.951 16.624 -2.819) 22.535 16.566 ( 14.951 16.624 -2.819) 22.535 17.195 ( -2.472 5.410 -7.365) 9.467 17.195 ( 2.472 5.410 -7.365) 9.467 17.939 ( -12.245 -8.889 -1.826) 15.241 17.939 ( 12.245 -8.889 -1.826) 15.241 18.173 ( -9.015 -5.706 -3.905) 11.361 18.173 ( 9.015 -5.706 -3.905) 11.361 19.709 ( -3.178 0.110 1.898) 3.703 19.709 ( 3.178 0.110 1.898) 3.703 20.183 ( -8.203 -14.063 5.763) 17.270 20.183 ( 8.203 -14.063 5.763) 17.270 21.277 ( -7.001 20.962 -2.796) 22.276 21.277 ( 7.001 20.962 -2.796) 22.276 22.138 ( -6.904 -5.256 -6.136) 10.627 22.138 ( 6.904 -5.256 -6.136) 10.627 ======================= Grid point 77 (31/108) ======================= q-point: ( 0.00 0.40 0.10) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( 0.000 25.060 13.602) 28.513 1.529 ( 0.000 24.968 10.788) 27.199 1.870 ( 0.000 -20.633 12.097) 23.918 2.087 ( 0.000 -24.442 5.841) 25.130 2.693 ( 0.000 48.393 22.209) 53.246 3.497 ( 0.000 -7.140 -2.407) 7.535 3.688 ( 0.000 -2.265 -1.132) 2.532 3.738 ( 0.000 -26.523 11.950) 29.091 3.794 ( 0.000 2.712 2.742) 3.857 3.842 ( 0.000 -6.873 -1.451) 7.025 3.899 ( 0.000 6.294 4.980) 8.026 4.054 ( 0.000 -6.678 2.643) 7.182 4.374 ( 0.000 7.795 -0.216) 7.798 4.471 ( 0.000 12.524 1.328) 12.594 4.571 ( 0.000 -5.510 -0.098) 5.511 4.758 ( 0.000 -0.982 -3.653) 3.782 4.944 ( 0.000 -5.836 6.407) 8.667 5.126 ( 0.000 -13.517 -3.093) 13.866 6.026 ( 0.000 1.524 5.744) 5.942 6.031 ( 0.000 0.540 4.794) 4.824 6.809 ( 0.000 9.580 -3.574) 10.225 6.836 ( 0.000 12.380 -5.194) 13.426 6.900 ( 0.000 20.796 -5.613) 21.540 7.021 ( 0.000 -6.192 -2.402) 6.642 7.132 ( 0.000 -9.605 -1.335) 9.698 7.270 ( 0.000 -13.782 -6.641) 15.298 7.964 ( 0.000 6.821 8.301) 10.744 8.084 ( 0.000 -3.853 5.070) 6.368 8.976 ( 0.000 0.147 -13.598) 13.599 8.989 ( 0.000 -0.870 -15.279) 15.304 9.401 ( 0.000 0.180 4.801) 4.804 9.418 ( 0.000 -0.845 2.438) 2.580 9.757 ( 0.000 1.048 8.356) 8.421 9.787 ( 0.000 -1.848 5.283) 5.597 10.315 ( 0.000 0.949 8.759) 8.810 10.339 ( 0.000 -1.366 10.578) 10.666 10.805 ( 0.000 6.978 6.639) 9.632 10.932 ( 0.000 -6.061 3.984) 7.253 10.968 ( 0.000 20.027 12.450) 23.581 11.232 ( 0.000 -7.122 9.651) 11.994 11.555 ( 0.000 19.861 0.987) 19.885 11.943 ( 0.000 -2.374 -2.214) 3.246 12.136 ( 0.000 -4.776 6.868) 8.365 12.192 ( 0.000 -23.258 6.451) 24.136 12.295 ( 0.000 8.839 -6.460) 10.948 12.477 ( 0.000 -8.537 -2.727) 8.962 13.152 ( 0.000 9.223 7.156) 11.673 13.348 ( 0.000 -10.067 3.124) 10.540 14.067 ( 0.000 12.581 -0.428) 12.588 14.346 ( 0.000 -14.035 -1.542) 14.119 14.570 ( 0.000 14.416 -9.720) 17.387 14.773 ( 0.000 -5.216 -9.652) 10.971 15.084 ( 0.000 -3.299 8.644) 9.252 15.153 ( 0.000 -9.496 1.949) 9.694 16.733 ( 0.000 8.504 -10.252) 13.320 16.865 ( 0.000 -4.192 -6.094) 7.397 17.133 ( 0.000 -0.329 3.589) 3.604 17.183 ( 0.000 -4.948 2.690) 5.632 17.630 ( 0.000 16.936 -4.876) 17.624 17.939 ( 0.000 -9.289 -7.428) 11.894 18.047 ( 0.000 9.161 4.610) 10.256 18.190 ( 0.000 -8.105 -4.356) 9.202 18.677 ( 0.000 13.894 6.123) 15.184 19.019 ( 0.000 -15.230 2.537) 15.440 19.039 ( 0.000 -0.653 -11.906) 11.923 19.101 ( 0.000 -12.113 2.340) 12.337 20.750 ( 0.000 7.118 13.925) 15.639 20.895 ( 0.000 -6.436 11.782) 13.425 21.324 ( 0.000 15.290 -3.274) 15.636 21.578 ( 0.000 -9.850 -4.965) 11.030 23.171 ( 0.000 6.735 -16.895) 18.188 23.247 ( 0.000 -1.896 -10.967) 11.130 ======================= Grid point 78 (32/108) ======================= q-point: ( 0.10 0.40 0.10) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 17.866 20.506 10.917) 29.306 1.651 ( 11.450 24.358 9.610) 28.579 2.000 ( 11.442 -19.344 9.880) 24.551 2.173 ( 8.436 -23.639 4.595) 25.517 2.845 ( 15.407 44.104 20.638) 51.073 3.517 ( 0.945 -3.478 -2.124) 4.183 3.653 ( -3.226 -0.608 1.259) 3.516 3.732 ( -4.376 5.955 1.644) 7.571 3.799 ( 1.153 -15.571 6.445) 16.892 3.871 ( 4.225 -17.708 5.962) 19.156 3.897 ( 2.472 -1.224 1.061) 2.956 3.994 ( -4.404 -5.716 2.166) 7.534 4.336 ( -2.907 7.231 -0.880) 7.843 4.443 ( -2.516 5.916 -2.289) 6.824 4.520 ( -2.942 4.553 2.227) 5.860 4.822 ( 1.838 -15.002 -0.696) 15.130 5.011 ( 7.893 3.992 2.595) 9.218 5.196 ( 6.202 -11.197 -3.188) 13.191 6.053 ( 1.466 3.821 4.037) 5.749 6.096 ( 5.476 -0.300 4.689) 7.215 6.748 ( -6.121 13.559 -7.472) 16.648 6.801 ( -1.804 9.139 -3.725) 10.033 6.974 ( 2.688 5.909 -2.824) 7.079 7.008 ( -3.318 -6.011 -3.713) 7.806 7.069 ( -0.540 -0.859 -0.516) 1.138 7.303 ( 3.365 -11.859 -3.886) 12.925 7.992 ( 2.621 6.438 8.543) 11.014 8.102 ( 1.612 -3.050 5.588) 6.567 8.848 ( -10.987 6.714 -11.920) 17.547 8.966 ( -2.441 -4.734 -14.290) 15.250 9.255 ( -10.221 5.754 6.367) 13.346 9.374 ( -2.968 -6.035 6.463) 9.328 9.991 ( 21.002 1.419 9.182) 22.966 10.015 ( 20.170 -0.892 7.025) 21.377 10.460 ( 13.153 0.242 8.792) 15.823 10.476 ( 11.864 -1.387 9.495) 15.259 10.868 ( 1.809 9.200 4.845) 10.554 10.925 ( 5.691 10.335 8.794) 14.715 11.087 ( 8.199 -2.115 6.810) 10.866 11.226 ( -0.140 -6.474 11.347) 13.064 11.577 ( 1.705 18.244 1.867) 18.419 12.011 ( 2.523 -14.234 -5.253) 15.381 12.205 ( 7.493 -1.521 4.141) 8.695 12.335 ( 12.095 -3.919 4.298) 13.421 12.361 ( 10.343 2.333 -0.367) 10.610 12.525 ( 4.189 -9.973 -1.591) 10.933 13.155 ( 0.680 9.443 6.551) 11.513 13.358 ( 1.463 -10.488 2.562) 10.895 14.045 ( -2.032 12.423 -0.579) 12.601 14.324 ( -2.001 -14.179 -1.482) 14.397 14.567 ( -0.222 14.750 -10.399) 18.048 14.776 ( 0.298 -4.859 -9.632) 10.792 15.069 ( -1.460 -4.210 6.355) 7.761 15.147 ( -0.570 -10.037 2.949) 10.476 16.724 ( -0.967 8.725 -10.181) 13.443 16.856 ( -1.228 -4.051 -6.523) 7.776 17.114 ( -1.670 -0.481 3.743) 4.126 17.156 ( -2.754 -4.733 3.769) 6.648 17.566 ( -5.127 18.300 -6.617) 20.123 17.887 ( -4.097 -3.372 -6.427) 8.335 18.020 ( -4.299 -1.014 1.404) 4.635 18.150 ( -3.119 -6.458 -6.140) 9.441 18.604 ( -7.653 14.899 9.034) 19.031 18.952 ( -5.714 -15.354 -2.908) 16.639 19.092 ( 1.839 -3.477 -3.920) 5.553 19.140 ( 6.160 -9.473 0.273) 11.303 20.671 ( -7.324 6.854 12.901) 16.342 20.805 ( -7.937 -5.502 10.408) 14.198 21.372 ( 3.880 14.520 -2.577) 15.249 21.618 ( 3.533 -9.651 -4.758) 11.325 22.941 ( -19.900 12.935 -12.485) 26.818 23.103 ( -13.419 -4.638 -9.830) 17.269 ======================= Grid point 79 (33/108) ======================= q-point: ( 0.20 0.40 0.10) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( 16.205 17.395 7.435) 24.909 1.970 ( 19.627 18.936 7.784) 28.361 2.247 ( 12.102 -15.412 6.559) 20.664 2.408 ( 14.652 -21.533 2.340) 26.150 3.265 ( 22.107 27.065 10.983) 36.631 3.482 ( -4.156 0.076 -0.243) 4.164 3.574 ( -2.763 3.926 7.186) 8.642 3.617 ( -6.855 7.341 1.652) 10.179 3.784 ( -2.112 0.735 -3.671) 4.299 3.865 ( -1.403 -1.508 2.091) 2.935 3.982 ( 0.371 -6.779 -3.127) 7.475 4.115 ( 16.191 -31.043 14.609) 37.937 4.314 ( 2.751 9.056 -3.909) 10.240 4.428 ( -1.847 12.335 0.600) 12.487 4.460 ( 1.389 -2.280 -2.884) 3.929 4.784 ( -4.982 -18.915 1.491) 19.617 5.227 ( 12.291 4.796 -2.416) 13.413 5.340 ( 7.709 -5.842 -5.235) 10.998 6.059 ( -1.315 8.842 3.281) 9.523 6.167 ( 0.208 -1.374 2.746) 3.077 6.602 ( -8.514 9.335 -4.716) 13.486 6.728 ( -6.308 3.541 -4.077) 8.304 6.823 ( -11.569 -4.467 -2.196) 12.595 6.916 ( -6.243 -6.606 -2.006) 9.308 7.262 ( 14.126 8.541 0.894) 16.531 7.435 ( 10.392 -7.846 -1.088) 13.066 8.059 ( 3.826 5.119 8.963) 11.008 8.141 ( 2.167 -1.195 7.020) 7.444 8.632 ( -9.021 14.426 -5.135) 17.772 8.902 ( -3.389 -10.971 -10.886) 15.823 9.085 ( -6.918 10.446 5.018) 13.496 9.316 ( -2.973 -11.531 5.287) 13.029 10.378 ( 14.083 3.023 16.651) 22.017 10.417 ( 16.760 -0.351 15.246) 22.660 10.716 ( 7.605 5.774 2.696) 9.921 10.813 ( 17.334 -4.396 2.299) 18.030 10.939 ( 8.455 11.750 13.432) 19.747 11.116 ( 6.804 -3.184 8.434) 11.294 11.282 ( 16.576 0.736 5.254) 17.405 11.356 ( 19.629 -5.454 6.874) 21.501 11.611 ( 2.124 15.519 4.358) 16.258 11.997 ( -1.904 -19.209 0.409) 19.308 12.346 ( 4.548 8.310 -2.480) 9.792 12.576 ( 3.818 -13.260 -0.864) 13.826 12.638 ( 18.327 6.163 6.082) 20.269 12.732 ( 18.625 -1.249 5.467) 19.451 13.223 ( 8.331 10.060 3.521) 13.528 13.442 ( 8.308 -11.026 0.365) 13.810 13.997 ( -2.517 11.919 0.118) 12.182 14.273 ( -3.109 -13.869 -1.049) 14.252 14.568 ( 0.710 15.728 -10.045) 18.676 14.789 ( 1.118 -2.786 -9.097) 9.580 15.033 ( -1.936 -6.428 2.087) 7.030 15.134 ( -0.446 -12.171 2.177) 12.372 16.689 ( -2.907 8.085 -9.270) 12.639 16.795 ( -5.306 -1.827 -6.516) 8.600 17.060 ( -6.493 -0.739 4.107) 7.718 17.092 ( -0.623 -1.893 1.929) 2.774 17.495 ( -1.004 13.844 -9.139) 16.619 17.787 ( -6.223 -0.871 -6.570) 9.091 17.882 ( -8.468 -3.271 -4.538) 10.149 18.043 ( -9.279 -6.339 -6.407) 12.935 18.399 ( -11.432 13.727 10.546) 20.744 18.757 ( -13.015 -18.890 0.246) 22.941 19.201 ( 8.176 -0.569 -5.491) 9.865 19.269 ( 6.802 -8.357 3.141) 11.224 20.488 ( -10.557 6.198 11.201) 16.593 20.615 ( -10.672 -5.496 8.721) 14.837 21.449 ( 3.534 14.828 -2.635) 15.469 21.697 ( 3.971 -9.493 -5.042) 11.459 22.513 ( -20.901 17.972 -7.037) 28.450 22.774 ( -18.110 -8.702 -7.743) 21.532 ======================= Grid point 80 (34/108) ======================= q-point: ( 0.30 0.40 0.10) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( 15.631 12.705 5.052) 20.766 2.364 ( 19.167 14.271 6.126) 24.669 2.479 ( 11.643 -10.224 4.508) 16.137 2.719 ( 15.312 -18.141 1.159) 23.767 3.324 ( -7.374 4.116 0.631) 8.469 3.406 ( -4.457 -3.876 -1.294) 6.046 3.485 ( -5.715 5.739 0.946) 8.154 3.578 ( -4.873 -2.556 2.052) 5.872 3.762 ( -4.123 7.806 -3.636) 9.548 3.921 ( -4.936 -6.297 -3.214) 8.622 4.100 ( 28.289 15.623 12.026) 34.481 4.269 ( -7.842 12.004 2.370) 14.533 4.394 ( 5.726 -7.446 -1.253) 9.476 4.525 ( 9.184 5.037 -4.719) 11.488 4.636 ( 14.987 -19.447 4.774) 25.012 4.735 ( 8.662 -11.887 -1.368) 14.771 5.436 ( 5.928 3.785 -10.969) 13.030 5.493 ( 8.178 -1.681 -6.103) 10.342 5.998 ( -4.555 7.247 5.226) 10.029 6.089 ( -7.719 -1.007 1.986) 8.034 6.413 ( -10.144 3.474 0.615) 10.740 6.489 ( -15.611 -3.348 -2.269) 16.126 6.633 ( -8.805 4.641 1.425) 10.054 6.760 ( -8.882 -6.445 -1.384) 11.061 7.561 ( 15.119 6.229 1.942) 16.467 7.686 ( 13.222 -5.584 1.243) 14.406 8.126 ( 2.423 2.928 9.039) 9.805 8.176 ( 0.855 -0.662 9.548) 9.609 8.516 ( -2.360 18.873 -1.823) 19.107 8.845 ( -2.685 -3.258 -4.984) 6.532 8.973 ( -3.838 2.355 1.352) 4.701 9.251 ( -3.658 -15.363 1.964) 15.914 10.572 ( 6.610 7.861 19.565) 22.097 10.681 ( 9.923 0.340 18.173) 20.709 10.785 ( 2.357 9.223 9.033) 13.123 11.005 ( 3.555 -9.547 6.520) 12.095 11.119 ( 8.705 2.459 9.740) 13.292 11.206 ( 6.704 -4.444 8.167) 11.462 11.573 ( 1.836 9.911 1.904) 10.258 11.717 ( 12.080 2.191 -1.651) 12.387 11.867 ( 14.229 -2.231 4.082) 14.970 12.035 ( 11.614 -12.821 9.026) 19.512 12.381 ( -1.749 7.923 4.398) 9.229 12.582 ( -2.580 -12.116 2.256) 12.592 13.025 ( 21.285 7.644 7.276) 23.758 13.136 ( 22.824 -1.950 3.613) 23.190 13.572 ( 26.649 7.661 -2.628) 27.852 13.717 ( 17.066 -5.335 -4.393) 18.412 13.974 ( 3.487 9.019 3.992) 10.461 14.206 ( -2.701 -10.632 1.586) 11.083 14.607 ( 3.324 15.743 -7.110) 17.592 14.829 ( 2.989 1.108 -7.239) 7.910 15.004 ( -0.412 -9.221 -1.405) 9.336 15.136 ( 0.466 -15.261 -2.389) 15.454 16.568 ( -11.228 4.495 -5.185) 13.159 16.643 ( -10.442 -0.124 -6.748) 12.434 16.905 ( -7.861 9.063 1.526) 12.094 17.099 ( 1.064 -5.554 -2.548) 6.202 17.507 ( -0.781 5.478 -10.115) 11.529 17.606 ( -12.686 4.895 -4.735) 14.399 17.688 ( -11.957 4.409 -8.201) 15.155 17.832 ( -5.239 -9.115 -3.077) 10.954 18.194 ( -9.425 4.386 6.961) 12.511 18.470 ( -14.958 -17.658 -0.829) 23.157 19.394 ( 10.873 -2.108 -2.779) 11.419 19.416 ( 8.150 -4.390 4.939) 10.493 20.267 ( -11.374 4.961 9.845) 15.840 20.393 ( -11.453 -6.672 7.166) 15.068 21.511 ( 2.898 16.042 -3.298) 16.632 21.769 ( 3.350 -8.977 -6.018) 11.315 22.145 ( -15.827 17.066 -4.332) 23.676 22.428 ( -15.970 -10.570 -6.440) 20.205 ======================= Grid point 81 (35/108) ======================= q-point: ( 0.40 0.40 0.10) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.522 ( 13.420 8.766 3.803) 16.474 2.681 ( 11.876 0.059 2.734) 12.187 2.725 ( 11.625 2.180 5.048) 12.860 2.937 ( 4.041 -10.807 2.410) 11.787 3.188 ( -4.210 7.481 0.324) 8.590 3.339 ( -2.230 -2.072 -1.567) 3.424 3.393 ( -3.846 -1.290 1.291) 4.257 3.474 ( -4.419 -3.804 1.709) 6.076 3.691 ( 0.567 7.547 -4.452) 8.781 3.838 ( -1.698 -6.752 -4.733) 8.418 4.037 ( -11.697 7.428 -0.551) 13.868 4.225 ( -15.177 -10.070 -4.531) 18.769 4.761 ( 32.338 11.741 9.233) 35.621 4.791 ( 17.004 11.550 -9.371) 22.591 5.038 ( 19.048 -10.284 5.166) 22.255 5.046 ( 18.474 -9.527 -4.846) 21.343 5.436 ( -4.590 6.823 -13.769) 16.038 5.578 ( -2.639 -5.980 -9.022) 11.140 5.838 ( -15.672 0.503 2.340) 15.854 5.879 ( -12.882 -3.178 5.658) 14.424 6.218 ( -4.253 4.539 4.620) 7.748 6.286 ( -2.589 -2.091 4.967) 5.979 6.448 ( -9.239 6.189 2.885) 11.489 6.569 ( -10.328 -5.082 -0.051) 11.511 7.837 ( 12.147 4.200 4.249) 13.537 7.917 ( 9.644 -3.313 3.906) 10.919 8.138 ( -1.600 0.580 8.059) 8.237 8.155 ( -3.154 -0.819 10.565) 11.056 8.538 ( 3.975 21.082 -0.701) 21.465 8.761 ( -5.638 17.600 -0.149) 18.482 8.969 ( 3.164 -17.258 -1.919) 17.650 9.167 ( -4.829 -18.214 -0.680) 18.855 10.672 ( 3.999 11.874 18.203) 22.098 10.768 ( 0.005 12.794 14.338) 19.216 10.876 ( 5.650 -5.829 19.284) 20.923 11.015 ( -1.391 -9.701 13.098) 16.358 11.317 ( 10.386 1.572 7.037) 12.644 11.388 ( 10.390 -5.333 2.756) 12.000 11.568 ( -1.297 6.439 4.427) 7.921 11.744 ( -4.660 -8.619 -1.400) 9.898 12.031 ( 5.338 9.814 4.249) 11.952 12.255 ( 4.689 -6.894 5.965) 10.252 12.285 ( -5.193 5.308 7.965) 10.889 12.486 ( -6.319 -11.321 5.258) 13.990 13.428 ( 16.847 7.625 5.661) 19.339 13.564 ( 17.125 -6.036 4.322) 18.665 13.805 ( -3.269 6.827 -1.138) 7.654 13.946 ( -1.698 -5.188 -5.596) 7.817 14.441 ( 34.435 6.790 -1.109) 35.116 14.497 ( 40.801 1.546 4.689) 41.098 14.698 ( 5.792 15.391 -4.616) 17.081 14.900 ( 4.754 0.690 -5.523) 7.320 15.046 ( 5.689 -13.597 -1.596) 14.826 15.139 ( -0.031 -16.925 -7.078) 18.345 16.173 ( -29.230 3.519 -0.683) 29.449 16.276 ( -28.702 -5.909 -2.422) 29.404 16.826 ( 1.191 19.919 -4.369) 20.427 17.137 ( 2.832 -7.125 -5.784) 9.604 17.228 ( -17.333 11.977 -4.296) 21.502 17.386 ( -9.659 -0.051 -9.189) 13.332 17.671 ( 5.826 3.933 -3.957) 8.067 17.839 ( 3.981 -11.347 -4.831) 12.959 18.004 ( -9.635 -0.243 2.264) 9.900 18.189 ( -12.833 -14.321 -2.967) 19.457 19.588 ( 9.485 0.219 5.510) 10.971 19.631 ( 12.065 -2.535 0.243) 12.331 20.043 ( -10.857 2.142 8.947) 14.231 20.161 ( -11.881 -8.257 5.556) 15.498 21.576 ( 3.900 17.174 -3.866) 18.031 21.814 ( -2.164 5.171 -7.398) 9.282 21.906 ( -4.693 1.736 -2.650) 5.662 22.154 ( -11.423 -11.118 -5.960) 17.018 ======================= Grid point 82 (36/108) ======================= q-point: (-0.50 0.40 0.10) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.742 ( -7.401 6.777 3.529) 10.637 2.742 ( 7.401 6.777 3.529) 10.637 2.893 ( -6.741 -7.509 2.055) 10.298 2.893 ( 6.741 -7.509 2.055) 10.298 3.230 ( -7.177 9.628 1.884) 12.156 3.230 ( 7.177 9.628 1.884) 12.156 3.394 ( -3.131 -5.559 0.432) 6.395 3.394 ( 3.131 -5.559 0.432) 6.395 3.825 ( -9.334 2.858 -3.658) 10.424 3.825 ( 9.334 2.858 -3.658) 10.424 3.927 ( -11.965 -6.652 -4.989) 14.570 3.927 ( 11.965 -6.652 -4.989) 14.570 5.107 ( -12.791 12.810 -11.249) 21.313 5.107 ( 12.791 12.810 -11.249) 21.313 5.343 ( -16.606 -7.381 -0.363) 18.176 5.343 ( 16.606 -7.381 -0.363) 18.176 5.411 ( -14.965 3.313 -2.829) 15.586 5.411 ( 14.965 3.313 -2.828) 15.586 5.562 ( -15.276 -8.654 4.899) 18.228 5.562 ( 15.276 -8.654 4.899) 18.228 6.282 ( -6.848 5.360 4.997) 10.030 6.282 ( 6.848 5.360 4.997) 10.030 6.367 ( -8.846 -2.957 2.723) 9.716 6.367 ( 8.846 -2.957 2.723) 9.716 8.033 ( -6.511 2.070 6.878) 9.695 8.033 ( 6.511 2.070 6.878) 9.695 8.074 ( -4.362 -1.781 7.251) 8.647 8.074 ( 4.362 -1.781 7.251) 8.647 8.643 ( -5.948 20.920 0.229) 21.751 8.643 ( 5.948 20.920 0.229) 21.751 9.062 ( -5.427 -19.572 -1.810) 20.391 9.062 ( 5.427 -19.572 -1.810) 20.391 10.739 ( -2.584 13.053 16.941) 21.542 10.739 ( 2.584 13.053 16.941) 21.542 10.966 ( -3.438 -8.071 16.892) 19.034 10.966 ( 3.438 -8.071 16.892) 19.034 11.485 ( -5.187 3.653 4.500) 7.778 11.485 ( 5.187 3.653 4.500) 7.778 11.607 ( -8.333 -8.308 1.634) 11.880 11.607 ( 8.333 -8.308 1.634) 11.880 12.136 ( -6.246 11.190 5.494) 13.944 12.136 ( 6.246 11.190 5.494) 13.944 12.365 ( -5.288 -11.230 6.563) 14.041 12.365 ( 5.288 -11.230 6.563) 14.041 13.684 ( -9.125 6.585 2.547) 11.538 13.684 ( 9.125 6.585 2.547) 11.538 13.812 ( -9.218 -5.830 1.474) 11.006 13.812 ( 9.218 -5.830 1.474) 11.006 14.761 ( -2.411 13.891 -5.975) 15.313 14.761 ( 2.411 13.891 -5.975) 15.313 15.050 ( -5.049 -10.762 -6.657) 13.625 15.050 ( 5.049 -10.762 -6.657) 13.625 15.428 ( -43.498 1.492 1.847) 43.562 15.428 ( 43.498 1.492 1.847) 43.562 15.547 ( -40.135 -8.870 0.247) 41.104 15.547 ( 40.135 -8.870 0.247) 41.104 16.946 ( -10.357 19.303 -5.055) 22.482 16.946 ( 10.357 19.303 -5.055) 22.482 17.231 ( -6.037 -5.716 -7.181) 10.986 17.231 ( 6.037 -5.716 -7.181) 10.986 17.818 ( -8.518 0.276 -1.702) 8.691 17.818 ( 8.518 0.276 -1.702) 8.691 17.971 ( -8.854 -11.970 -4.416) 15.530 17.971 ( 8.854 -11.970 -4.416) 15.530 19.769 ( -5.932 6.070 4.605) 9.656 19.769 ( 5.932 6.070 4.605) 9.656 19.938 ( -7.823 -10.331 5.684) 14.150 19.938 ( 7.823 -10.331 5.684) 14.150 21.679 ( -6.684 17.772 -4.435) 19.498 21.679 ( 6.684 17.772 -4.435) 19.498 21.973 ( -6.855 -11.340 -5.548) 14.365 21.973 ( 6.855 -11.340 -5.548) 14.365 ======================= Grid point 110 (37/108) ======================= q-point: ( 0.00 0.00 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 0.000 0.000 30.866) 30.866 1.356 ( 0.000 0.000 32.995) 32.995 2.450 ( 0.000 0.000 59.247) 59.247 2.660 ( 0.000 0.000 11.198) 11.198 2.725 ( 0.000 0.000 0.445) 0.445 3.311 ( 0.000 0.000 -4.360) 4.360 3.570 ( 0.000 0.000 -0.598) 0.598 3.754 ( 0.000 0.000 7.034) 7.034 3.755 ( 0.000 0.000 -9.530) 9.530 3.810 ( 0.000 0.000 -4.481) 4.481 4.030 ( 0.000 0.000 -11.994) 11.994 4.144 ( 0.000 0.000 2.502) 2.502 4.241 ( 0.000 0.000 19.012) 19.012 4.720 ( 0.000 0.000 0.160) 0.160 4.769 ( 0.000 0.000 13.622) 13.622 5.343 ( 0.000 0.000 -10.139) 10.139 5.391 ( 0.000 0.000 13.084) 13.084 5.676 ( 0.000 0.000 3.311) 3.311 5.867 ( 0.000 0.000 2.272) 2.272 6.017 ( 0.000 0.000 5.165) 5.165 6.171 ( 0.000 0.000 7.589) 7.589 6.239 ( 0.000 0.000 -10.964) 10.964 6.527 ( 0.000 0.000 -2.489) 2.489 7.006 ( 0.000 0.000 -12.102) 12.102 7.294 ( 0.000 0.000 -1.912) 1.912 7.371 ( 0.000 0.000 -13.344) 13.344 7.488 ( 0.000 0.000 -8.928) 8.928 8.068 ( 0.000 0.000 19.287) 19.287 8.697 ( 0.000 0.000 -17.195) 17.195 9.111 ( 0.000 0.000 -2.644) 2.644 9.306 ( 0.000 0.000 1.026) 1.026 9.626 ( 0.000 0.000 3.537) 3.537 9.890 ( 0.000 0.000 3.128) 3.128 9.980 ( 0.000 0.000 11.054) 11.054 10.344 ( 0.000 0.000 11.643) 11.643 10.426 ( 0.000 0.000 4.334) 4.334 10.605 ( 0.000 0.000 11.499) 11.499 11.059 ( 0.000 0.000 21.786) 21.786 11.221 ( 0.000 0.000 0.647) 0.647 11.241 ( 0.000 0.000 7.006) 7.006 11.448 ( 0.000 0.000 12.379) 12.379 11.935 ( 0.000 0.000 -2.848) 2.848 12.044 ( 0.000 0.000 13.585) 13.585 12.519 ( 0.000 0.000 21.967) 21.967 12.716 ( 0.000 0.000 3.574) 3.574 12.918 ( 0.000 0.000 4.919) 4.919 13.000 ( 0.000 0.000 1.344) 1.344 13.551 ( 0.000 0.000 -6.691) 6.691 13.998 ( 0.000 0.000 8.903) 8.903 14.135 ( 0.000 0.000 5.512) 5.512 14.487 ( 0.000 0.000 -13.651) 13.651 14.661 ( 0.000 0.000 -7.001) 7.001 15.476 ( 0.000 0.000 -13.213) 13.213 15.753 ( 0.000 0.000 14.070) 14.070 15.977 ( 0.000 0.000 -20.261) 20.261 16.789 ( 0.000 0.000 -10.589) 10.589 16.913 ( 0.000 0.000 -13.968) 13.968 17.368 ( 0.000 0.000 1.285) 1.285 17.445 ( 0.000 0.000 1.690) 1.690 17.515 ( 0.000 0.000 -5.811) 5.811 17.920 ( 0.000 0.000 8.010) 8.010 18.566 ( 0.000 0.000 2.561) 2.561 18.579 ( 0.000 0.000 -8.606) 8.606 18.759 ( 0.000 0.000 1.677) 1.677 19.519 ( 0.000 0.000 -6.536) 6.536 20.195 ( 0.000 0.000 1.815) 1.815 20.482 ( 0.000 0.000 -4.622) 4.622 21.268 ( 0.000 0.000 13.944) 13.944 21.475 ( 0.000 0.000 2.223) 2.223 21.572 ( 0.000 0.000 -14.027) 14.027 21.785 ( 0.000 0.000 0.296) 0.296 23.048 ( 0.000 0.000 -14.087) 14.087 ======================= Grid point 111 (38/108) ======================= q-point: ( 0.10 0.00 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 20.163 0.000 24.299) 31.575 1.491 ( 12.712 0.000 29.814) 32.411 2.620 ( 17.418 0.000 52.901) 55.695 2.696 ( 3.408 0.000 7.649) 8.374 2.798 ( 6.525 0.000 2.718) 7.069 3.335 ( 2.694 0.000 -4.245) 5.027 3.585 ( 0.758 0.000 -0.048) 0.760 3.655 ( -5.882 0.000 5.107) 7.790 3.709 ( -4.611 0.000 -7.992) 9.227 3.937 ( 10.025 0.000 -6.381) 11.884 4.000 ( -3.462 0.000 -9.674) 10.275 4.100 ( -4.116 0.000 3.335) 5.298 4.129 ( -8.793 0.000 12.779) 15.512 4.609 ( -5.723 0.000 6.816) 8.900 4.959 ( 11.429 0.000 7.935) 13.914 5.246 ( -7.101 0.000 -11.589) 13.592 5.422 ( 2.586 0.000 12.215) 12.486 5.687 ( -13.716 0.000 -3.562) 14.171 5.698 ( -5.627 0.000 3.902) 6.848 5.906 ( 3.081 0.000 5.189) 6.035 6.328 ( 6.017 0.000 -4.088) 7.274 6.419 ( 14.016 0.000 -0.058) 14.016 6.699 ( 14.884 0.000 0.036) 14.885 6.983 ( -2.550 0.000 -12.139) 12.404 7.175 ( -8.992 0.000 -6.946) 11.362 7.431 ( 4.601 0.000 -5.071) 6.847 7.515 ( 2.769 0.000 -7.433) 7.932 8.086 ( 1.991 0.000 17.701) 17.812 8.751 ( 4.990 0.000 -17.035) 17.751 9.015 ( -7.605 0.000 7.382) 10.599 9.138 ( -12.477 0.000 2.509) 12.727 9.696 ( 2.549 0.000 2.954) 3.902 10.132 ( 23.975 0.000 4.591) 24.411 10.181 ( 20.108 0.000 11.887) 23.359 10.453 ( 6.297 0.000 17.295) 18.405 10.616 ( 17.188 0.000 3.541) 17.549 10.667 ( 7.543 0.000 4.160) 8.614 11.031 ( 2.714 0.000 22.410) 22.573 11.290 ( 5.555 0.000 4.162) 6.941 11.481 ( 4.884 0.000 11.797) 12.768 11.515 ( 16.590 0.000 8.715) 18.740 11.960 ( 3.994 0.000 -4.884) 6.309 12.143 ( 10.382 0.000 11.241) 15.301 12.606 ( 7.212 0.000 17.432) 18.865 12.622 ( -7.424 0.000 2.916) 7.976 12.954 ( 4.474 0.000 2.466) 5.109 13.080 ( 5.913 0.000 2.814) 6.549 13.577 ( 2.601 0.000 -6.211) 6.734 13.941 ( -4.952 0.000 6.154) 7.899 14.078 ( -5.294 0.000 6.027) 8.022 14.487 ( 0.307 0.000 -13.433) 13.436 14.657 ( -0.792 0.000 -5.583) 5.639 15.472 ( -0.302 0.000 -13.713) 13.716 15.703 ( -4.766 0.000 13.979) 14.769 15.988 ( 0.669 0.000 -17.102) 17.115 16.781 ( -1.153 0.000 -11.648) 11.705 16.961 ( 4.760 0.000 -13.335) 14.159 17.289 ( -15.011 0.000 -0.557) 15.022 17.320 ( -5.059 0.000 1.473) 5.269 17.396 ( -4.689 0.000 1.397) 4.893 18.023 ( 2.581 0.000 -3.004) 3.960 18.401 ( -8.857 0.000 -4.994) 10.168 18.640 ( -6.127 0.000 20.433) 21.332 18.777 ( 8.539 0.000 -15.407) 17.615 19.434 ( -8.541 0.000 -6.253) 10.585 20.137 ( -5.265 0.000 3.664) 6.414 20.496 ( 1.528 0.000 -4.151) 4.423 21.195 ( -10.772 0.000 12.874) 16.787 21.285 ( -11.066 0.000 10.642) 15.353 21.518 ( -4.724 0.000 -13.100) 13.926 21.818 ( 2.476 0.000 -1.458) 2.873 22.956 ( -8.881 0.000 -13.655) 16.289 ======================= Grid point 112 (39/108) ======================= q-point: ( 0.20 0.00 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( 18.909 0.000 23.918) 30.490 1.871 ( 21.058 0.000 18.484) 28.020 2.779 ( 4.398 0.000 5.564) 7.092 2.954 ( 8.768 0.000 1.190) 8.848 3.115 ( 29.771 0.000 33.934) 45.143 3.406 ( 2.347 0.000 1.504) 2.788 3.509 ( -5.373 0.000 -2.741) 6.032 3.570 ( -9.306 0.000 -2.422) 9.616 3.637 ( 3.511 0.000 -0.818) 3.605 3.865 ( -9.149 0.000 1.441) 9.262 3.980 ( -7.072 0.000 5.046) 8.688 3.994 ( -4.571 0.000 -4.783) 6.616 4.212 ( 16.659 0.000 -10.931) 19.925 4.480 ( -7.531 0.000 7.036) 10.306 5.070 ( -8.138 0.000 -0.902) 8.187 5.094 ( -8.243 0.000 -15.396) 17.464 5.389 ( 0.835 0.000 0.805) 1.160 5.588 ( -2.313 0.000 7.455) 7.805 5.613 ( 7.829 0.000 8.324) 11.428 6.016 ( 5.026 0.000 4.889) 7.011 6.424 ( 3.148 0.000 2.090) 3.779 6.584 ( -0.178 0.000 -8.323) 8.325 6.856 ( -8.511 0.000 -6.600) 10.770 6.898 ( -6.001 0.000 -11.539) 13.007 7.158 ( 16.437 0.000 3.984) 16.913 7.588 ( 11.847 0.000 1.837) 11.988 7.599 ( 5.516 0.000 -3.835) 6.718 8.148 ( 4.102 0.000 14.516) 15.085 8.807 ( -6.953 0.000 -7.105) 9.941 8.867 ( -7.033 0.000 16.289) 17.742 8.952 ( 1.461 0.000 -4.561) 4.789 9.712 ( -0.581 0.000 3.360) 3.410 10.507 ( 5.138 0.000 17.647) 18.380 10.638 ( 14.011 0.000 14.940) 20.483 10.692 ( 27.689 0.000 10.945) 29.774 10.936 ( 19.568 0.000 8.061) 21.163 11.002 ( 17.990 0.000 -1.078) 18.023 11.199 ( 13.508 0.000 18.442) 22.859 11.385 ( 4.602 0.000 9.309) 10.385 11.702 ( 3.137 0.000 15.302) 15.620 11.731 ( 21.336 0.000 13.606) 25.305 12.163 ( 15.542 0.000 -1.172) 15.586 12.468 ( -4.286 0.000 2.652) 5.040 12.477 ( 20.273 0.000 5.175) 20.923 12.735 ( 6.709 0.000 9.612) 11.722 13.123 ( 11.364 0.000 1.764) 11.500 13.177 ( 2.835 0.000 5.923) 6.566 13.658 ( 5.471 0.000 -4.537) 7.107 13.851 ( -2.301 0.000 -0.001) 2.301 13.952 ( -6.480 0.000 6.076) 8.883 14.520 ( 3.672 0.000 -13.101) 13.606 14.613 ( -3.838 0.000 -4.045) 5.577 15.461 ( -1.630 0.000 -11.680) 11.794 15.597 ( -4.035 0.000 10.770) 11.501 15.969 ( -3.635 0.000 -10.982) 11.568 16.734 ( -2.928 0.000 -14.947) 15.231 17.072 ( -6.149 0.000 -4.510) 7.625 17.087 ( 6.289 0.000 -10.784) 12.484 17.152 ( -11.791 0.000 2.242) 12.003 17.276 ( -6.147 0.000 -0.777) 6.196 17.894 ( -15.116 0.000 -5.025) 15.929 18.195 ( -11.382 0.000 -6.255) 12.987 18.543 ( -2.760 0.000 14.536) 14.796 18.998 ( 12.872 0.000 -8.835) 15.612 19.185 ( -16.190 0.000 -5.459) 17.086 20.016 ( -6.094 0.000 6.274) 8.746 20.545 ( 3.403 0.000 -3.410) 4.817 20.889 ( -14.926 0.000 15.473) 21.499 21.132 ( -7.939 0.000 10.098) 12.845 21.405 ( -6.455 0.000 -12.089) 13.705 21.863 ( 1.878 0.000 -4.055) 4.469 22.719 ( -14.049 0.000 -12.792) 19.000 ======================= Grid point 113 (40/108) ======================= q-point: ( 0.30 0.00 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( 19.055 0.000 18.794) 26.764 2.277 ( 19.735 0.000 14.441) 24.454 2.865 ( 4.676 0.000 4.543) 6.519 3.145 ( 10.161 0.000 -2.799) 10.540 3.316 ( -6.943 0.000 1.083) 7.027 3.352 ( -11.959 0.000 4.987) 12.957 3.436 ( -2.312 0.000 -1.261) 2.634 3.610 ( 5.635 0.000 4.181) 7.017 3.689 ( -8.060 0.000 -1.343) 8.171 3.803 ( 5.946 0.000 -10.961) 12.470 3.924 ( -2.263 0.000 -6.923) 7.283 3.986 ( 24.222 0.000 19.552) 31.128 4.306 ( -9.899 0.000 6.715) 11.962 4.568 ( 16.344 0.000 -14.872) 22.097 4.712 ( -21.659 0.000 -11.548) 24.546 4.934 ( -5.506 0.000 -15.454) 16.406 5.558 ( 11.558 0.000 2.413) 11.807 5.604 ( 2.534 0.000 7.959) 8.352 5.822 ( 11.592 0.000 9.164) 14.776 6.083 ( 1.680 0.000 7.167) 7.361 6.399 ( -16.095 0.000 -7.089) 17.587 6.442 ( -1.425 0.000 4.674) 4.886 6.612 ( -14.052 0.000 -5.468) 15.078 6.751 ( -8.498 0.000 -8.857) 12.275 7.566 ( 21.212 0.000 7.024) 22.345 7.731 ( 7.714 0.000 0.214) 7.717 7.868 ( 14.726 0.000 5.373) 15.675 8.233 ( 3.948 0.000 11.080) 11.763 8.576 ( -12.521 0.000 2.566) 12.781 8.726 ( -7.475 0.000 18.955) 20.375 9.093 ( 8.850 0.000 -10.054) 13.394 9.674 ( -3.342 0.000 2.950) 4.458 10.598 ( 5.151 0.000 17.526) 18.267 10.816 ( 5.427 0.000 23.083) 23.712 11.144 ( 17.176 0.000 19.493) 25.981 11.239 ( 7.860 0.000 0.338) 7.867 11.298 ( 14.249 0.000 11.763) 18.477 11.459 ( 9.160 0.000 7.602) 11.904 11.487 ( 4.897 0.000 9.454) 10.647 11.741 ( 2.798 0.000 16.867) 17.097 12.160 ( 6.046 0.000 4.359) 7.453 12.390 ( 2.700 0.000 9.417) 9.796 12.464 ( 16.124 0.000 8.161) 18.071 13.029 ( 20.806 0.000 12.831) 24.445 13.044 ( 33.219 0.000 3.096) 33.363 13.176 ( -2.248 0.000 8.411) 8.707 13.374 ( 15.245 0.000 -1.701) 15.339 13.744 ( 2.754 0.000 -0.460) 2.792 13.886 ( 4.110 0.000 6.647) 7.814 13.942 ( 11.509 0.000 -6.431) 13.184 14.517 ( -4.921 0.000 -5.661) 7.500 14.657 ( 10.547 0.000 -12.426) 16.299 15.378 ( -5.015 0.000 0.332) 5.026 15.624 ( 6.598 0.000 -1.694) 6.812 15.814 ( -11.873 0.000 -9.468) 15.186 16.699 ( -1.178 0.000 -18.639) 18.676 16.819 ( -20.982 0.000 1.932) 21.071 16.999 ( -2.632 0.000 -8.737) 9.125 17.029 ( -11.340 0.000 0.238) 11.342 17.346 ( 11.334 0.000 -10.286) 15.306 17.466 ( -26.118 0.000 0.932) 26.134 18.022 ( -4.810 0.000 -7.833) 9.192 18.474 ( -5.094 0.000 5.864) 7.767 18.806 ( -21.321 0.000 -4.762) 21.847 19.275 ( 14.563 0.000 -5.266) 15.486 19.911 ( -4.349 0.000 7.335) 8.528 20.633 ( 5.479 0.000 -3.140) 6.314 20.640 ( -9.991 0.000 14.786) 17.845 20.945 ( -10.763 0.000 7.280) 12.994 21.264 ( -7.714 0.000 -10.021) 12.647 21.894 ( 1.430 0.000 -7.037) 7.181 22.431 ( -14.156 0.000 -12.256) 18.725 ======================= Grid point 114 (41/108) ======================= q-point: ( 0.40 0.00 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( 15.219 0.000 14.599) 21.089 2.651 ( 17.683 0.000 10.167) 20.397 2.975 ( 4.041 0.000 2.938) 4.996 3.117 ( -8.207 0.000 9.442) 12.511 3.172 ( -7.812 0.000 0.729) 7.846 3.312 ( 2.310 0.000 -2.617) 3.490 3.374 ( -2.716 0.000 -0.986) 2.889 3.489 ( -9.365 0.000 1.949) 9.566 3.592 ( 1.858 0.000 -5.673) 5.969 3.921 ( 2.458 0.000 -5.326) 5.866 4.030 ( 14.429 0.000 -18.257) 23.271 4.082 ( -12.912 0.000 5.261) 13.943 4.302 ( -18.022 0.000 -13.737) 22.661 4.553 ( 2.120 0.000 -14.842) 14.992 4.663 ( 20.175 0.000 1.540) 20.233 5.121 ( 19.722 0.000 -6.481) 20.760 5.607 ( -4.808 0.000 0.547) 4.839 5.798 ( 12.085 0.000 0.452) 12.093 5.995 ( -16.630 0.000 -0.590) 16.641 6.024 ( 7.073 0.000 7.305) 10.168 6.132 ( -2.597 0.000 11.983) 12.261 6.318 ( -13.737 0.000 -0.987) 13.772 6.380 ( -3.397 0.000 2.944) 4.495 6.573 ( -8.989 0.000 -2.861) 9.433 7.904 ( 9.584 0.000 3.414) 10.174 7.954 ( 17.148 0.000 7.909) 18.884 8.130 ( 10.952 0.000 8.092) 13.617 8.286 ( 0.949 0.000 8.021) 8.077 8.334 ( -11.751 0.000 4.515) 12.589 8.557 ( -9.650 0.000 18.993) 21.304 9.272 ( 8.890 0.000 -7.094) 11.374 9.580 ( -5.994 0.000 0.565) 6.021 10.717 ( 6.536 0.000 20.247) 21.276 10.878 ( 0.637 0.000 26.769) 26.777 11.320 ( 4.740 0.000 15.719) 16.419 11.410 ( 3.951 0.000 15.013) 15.524 11.468 ( 3.614 0.000 4.140) 5.496 11.541 ( 0.161 0.000 7.373) 7.375 11.618 ( 10.713 0.000 3.792) 11.364 11.880 ( 11.195 0.000 20.958) 23.760 12.068 ( -8.625 0.000 0.005) 8.625 12.322 ( -7.632 0.000 13.180) 15.231 12.814 ( 12.463 0.000 11.772) 17.144 13.089 ( -4.903 0.000 11.825) 12.801 13.288 ( 7.833 0.000 16.565) 18.324 13.528 ( -2.091 0.000 -3.009) 3.665 13.723 ( 25.836 0.000 0.111) 25.837 13.811 ( 4.141 0.000 -0.256) 4.149 14.197 ( 13.656 0.000 -3.878) 14.196 14.407 ( 41.090 0.000 5.783) 41.495 14.473 ( 1.360 0.000 -12.081) 12.157 14.962 ( 21.170 0.000 -8.294) 22.737 15.343 ( 3.743 0.000 1.557) 4.054 15.522 ( -16.161 0.000 -13.120) 20.816 15.829 ( 11.050 0.000 -1.405) 11.139 16.343 ( -23.368 0.000 2.340) 23.484 16.493 ( -28.043 0.000 -14.099) 31.388 16.742 ( -17.327 0.000 -0.167) 17.328 16.935 ( -2.022 0.000 -8.312) 8.554 17.053 ( -9.040 0.000 -3.805) 9.808 17.612 ( 15.171 0.000 -8.898) 17.588 18.015 ( 3.846 0.000 -7.550) 8.473 18.333 ( -8.717 0.000 -0.234) 8.720 18.365 ( -22.156 0.000 -5.126) 22.741 19.555 ( 12.746 0.000 -1.573) 12.843 19.839 ( -3.248 0.000 6.886) 7.614 20.503 ( -3.265 0.000 12.398) 12.820 20.718 ( -11.382 0.000 5.888) 12.815 20.762 ( 7.423 0.000 -3.517) 8.214 21.099 ( -8.705 0.000 -7.139) 11.258 21.931 ( 2.713 0.000 -9.790) 10.159 22.181 ( -10.581 0.000 -12.106) 16.079 ======================= Grid point 115 (42/108) ======================= q-point: (-0.50 0.00 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.819 ( -12.488 0.000 11.044) 16.671 2.819 ( 12.488 0.000 11.044) 16.671 2.967 ( -13.429 0.000 5.332) 14.449 2.967 ( 13.429 0.000 5.332) 14.449 3.209 ( -9.029 0.000 1.298) 9.121 3.209 ( 9.029 0.000 1.298) 9.121 3.363 ( -2.456 0.000 -0.476) 2.502 3.363 ( 2.456 0.000 -0.476) 2.502 3.793 ( -14.701 0.000 -4.124) 15.268 3.793 ( 14.701 0.000 -4.124) 15.268 4.035 ( -9.112 0.000 -6.874) 11.414 4.035 ( 9.112 0.000 -6.874) 11.414 4.322 ( -14.328 0.000 -21.529) 25.861 4.322 ( 14.328 0.000 -21.529) 25.861 5.210 ( -21.669 0.000 -2.110) 21.771 5.210 ( 21.669 0.000 -2.110) 21.771 5.629 ( -17.806 0.000 -0.835) 17.825 5.629 ( 17.806 0.000 -0.835) 17.825 6.012 ( -8.036 0.000 1.488) 8.173 6.012 ( 8.036 0.000 1.488) 8.173 6.145 ( -3.642 0.000 9.600) 10.268 6.145 ( 3.642 0.000 9.600) 10.268 6.409 ( -6.579 0.000 2.342) 6.983 6.409 ( 6.579 0.000 2.342) 6.983 8.108 ( -10.869 0.000 4.893) 11.920 8.108 ( 10.869 0.000 4.893) 11.920 8.209 ( -6.703 0.000 5.049) 8.391 8.209 ( 6.703 0.000 5.049) 8.391 8.353 ( -9.604 0.000 16.491) 19.084 8.353 ( 9.604 0.000 16.491) 19.084 9.440 ( -7.894 0.000 -3.184) 8.511 9.440 ( 7.894 0.000 -3.184) 8.511 10.836 ( -4.662 0.000 24.505) 24.945 10.836 ( 4.662 0.000 24.505) 24.945 11.400 ( -3.061 0.000 16.746) 17.024 11.400 ( 3.061 0.000 16.746) 17.024 11.514 ( -2.001 0.000 4.851) 5.248 11.514 ( 2.001 0.000 4.851) 5.248 11.862 ( -11.969 0.000 0.805) 11.997 11.862 ( 11.969 0.000 0.805) 11.997 12.123 ( -11.858 0.000 18.873) 22.289 12.123 ( 11.858 0.000 18.873) 22.289 12.984 ( -6.035 0.000 13.023) 14.353 12.984 ( 6.035 0.000 13.023) 14.353 13.428 ( -6.504 0.000 6.397) 9.123 13.428 ( 6.504 0.000 6.397) 9.123 13.890 ( -2.368 0.000 0.207) 2.377 13.890 ( 2.368 0.000 0.207) 2.377 14.464 ( -6.764 0.000 -10.413) 12.417 14.464 ( 6.764 0.000 -10.413) 12.417 15.054 ( -21.806 0.000 -0.477) 21.811 15.054 ( 21.806 0.000 -0.477) 21.811 15.624 ( -23.554 0.000 2.780) 23.717 15.624 ( 23.554 0.000 2.780) 23.717 15.721 ( -41.618 0.000 -11.196) 43.098 15.721 ( 41.618 0.000 -11.196) 43.098 16.361 ( -19.030 0.000 -0.380) 19.034 16.361 ( 19.030 0.000 -0.380) 19.034 16.960 ( -3.014 0.000 -9.376) 9.848 16.960 ( 3.014 0.000 -9.376) 9.848 17.951 ( -19.011 0.000 -6.825) 20.199 17.951 ( 19.011 0.000 -6.825) 20.199 18.150 ( -8.870 0.000 -4.812) 10.092 18.150 ( 8.870 0.000 -4.812) 10.092 19.751 ( -6.641 0.000 3.602) 7.555 19.751 ( 6.641 0.000 3.602) 7.555 20.531 ( -6.199 0.000 8.078) 10.182 20.531 ( 6.199 0.000 8.078) 10.182 20.924 ( -8.679 0.000 -4.774) 9.905 20.924 ( 8.679 0.000 -4.774) 9.905 22.016 ( -6.053 0.000 -11.519) 13.012 22.016 ( 6.053 0.000 -11.519) 13.012 ======================= Grid point 121 (43/108) ======================= q-point: ( 0.00 0.20 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 0.000 13.516 27.420) 30.571 1.503 ( 0.000 12.817 26.995) 29.883 2.497 ( 0.000 -12.820 16.107) 20.586 2.562 ( 0.000 -14.078 2.664) 14.328 2.687 ( 0.000 20.445 48.026) 52.197 3.367 ( 0.000 4.342 -4.880) 6.532 3.588 ( 0.000 1.136 -5.068) 5.194 3.783 ( 0.000 -0.748 -3.540) 3.618 3.839 ( 0.000 7.373 9.294) 11.863 3.853 ( 0.000 7.220 -9.062) 11.587 4.037 ( 0.000 -6.183 7.023) 9.356 4.101 ( 0.000 5.699 -10.296) 11.768 4.359 ( 0.000 8.129 11.620) 14.181 4.680 ( 0.000 -4.553 -0.130) 4.554 4.733 ( 0.000 -5.773 11.470) 12.841 4.989 ( 0.000 -26.527 17.187) 31.608 5.246 ( 0.000 -7.952 -7.399) 10.862 5.390 ( 0.000 -16.930 6.822) 18.253 6.083 ( 0.000 8.260 7.539) 11.183 6.110 ( 0.000 -0.724 2.377) 2.484 6.335 ( 0.000 22.501 -4.285) 22.906 6.448 ( 0.000 13.681 -5.600) 14.783 6.569 ( 0.000 4.447 -4.925) 6.635 6.984 ( 0.000 -2.237 -11.115) 11.338 7.246 ( 0.000 -4.873 -1.671) 5.151 7.273 ( 0.000 -6.470 -12.799) 14.341 7.793 ( 0.000 20.960 -13.046) 24.689 8.105 ( 0.000 3.429 17.757) 18.085 8.694 ( 0.000 -0.175 -16.098) 16.099 8.952 ( 0.000 -10.815 0.039) 10.815 9.391 ( 0.000 4.416 -0.495) 4.444 9.547 ( 0.000 -5.102 4.030) 6.502 9.890 ( 0.000 0.273 4.094) 4.103 9.967 ( 0.000 -1.205 10.887) 10.953 10.437 ( 0.000 1.139 4.821) 4.953 10.510 ( 0.000 4.775 4.418) 6.506 10.713 ( 0.000 18.346 16.943) 24.973 11.057 ( 0.000 0.237 19.609) 19.610 11.152 ( 0.000 -3.551 7.342) 8.155 11.322 ( 0.000 4.604 1.108) 4.736 11.479 ( 0.000 2.833 10.627) 10.998 11.939 ( 0.000 0.604 0.812) 1.013 12.125 ( 0.000 6.988 10.153) 12.325 12.465 ( 0.000 -5.146 17.920) 18.645 12.662 ( 0.000 -5.424 6.187) 8.228 12.791 ( 0.000 -19.227 3.996) 19.637 13.039 ( 0.000 10.025 2.773) 10.401 13.486 ( 0.000 -5.555 -5.622) 7.903 13.961 ( 0.000 0.498 6.163) 6.183 14.278 ( 0.000 10.047 4.362) 10.953 14.435 ( 0.000 -5.314 -11.298) 12.485 14.660 ( 0.000 -0.352 -6.718) 6.727 15.346 ( 0.000 -10.382 -5.533) 11.764 15.445 ( 0.000 -17.304 1.819) 17.399 16.293 ( 0.000 17.776 -6.739) 19.010 16.776 ( 0.000 -1.327 -10.364) 10.449 16.974 ( 0.000 5.642 -13.716) 14.831 17.314 ( 0.000 -4.852 0.859) 4.927 17.432 ( 0.000 0.926 2.804) 2.953 17.623 ( 0.000 9.069 -10.484) 13.862 17.986 ( 0.000 4.520 3.106) 5.484 18.405 ( 0.000 -15.057 0.365) 15.061 18.583 ( 0.000 1.090 -14.003) 14.046 18.819 ( 0.000 6.119 9.050) 10.924 19.319 ( 0.000 -17.829 -6.204) 18.877 19.752 ( 0.000 -26.059 10.109) 27.951 20.779 ( 0.000 15.465 -2.877) 15.731 21.169 ( 0.000 -4.898 13.387) 14.255 21.239 ( 0.000 -2.855 13.779) 14.072 21.541 ( 0.000 -3.198 -12.684) 13.081 22.390 ( 0.000 29.663 -18.217) 34.810 23.034 ( 0.000 -1.519 -14.571) 14.650 ======================= Grid point 122 (44/108) ======================= q-point: ( 0.10 0.20 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 17.918 10.790 22.307) 30.579 1.617 ( 10.961 11.370 24.883) 29.472 2.556 ( 4.951 -11.979 11.226) 17.147 2.627 ( 6.375 -14.530 3.935) 16.348 2.840 ( 15.378 19.557 44.481) 50.966 3.398 ( 2.979 4.388 -5.128) 7.377 3.582 ( -1.377 0.579 -2.410) 2.835 3.685 ( -7.358 4.502 2.751) 9.054 3.849 ( 0.171 6.856 -7.354) 10.056 3.883 ( 1.104 -0.165 -1.227) 1.659 3.993 ( -3.007 -3.922 6.071) 7.828 4.109 ( 0.919 5.096 -8.541) 9.988 4.243 ( -8.671 7.129 6.836) 13.142 4.576 ( -5.358 -3.022 5.932) 8.546 4.927 ( 11.313 -5.816 4.646) 13.543 4.980 ( -0.499 -26.934 15.854) 31.258 5.183 ( -3.477 -5.371 -5.401) 8.373 5.419 ( -0.080 -14.606 3.369) 14.990 6.000 ( -6.808 9.421 3.982) 12.287 6.100 ( -1.696 13.503 0.082) 13.610 6.350 ( 6.945 4.249 -4.021) 9.081 6.522 ( 3.465 8.174 -5.086) 10.232 6.764 ( 15.019 6.723 0.132) 16.455 6.964 ( -2.716 -2.118 -11.281) 11.795 7.106 ( -7.639 -5.052 -6.696) 11.345 7.377 ( 5.880 -4.910 -3.999) 8.642 7.794 ( 0.592 20.622 -11.163) 23.457 8.127 ( 2.239 3.806 16.776) 17.347 8.733 ( 3.630 -1.720 -15.969) 16.467 8.874 ( -5.917 -9.313 6.578) 12.846 9.232 ( -12.042 5.555 3.007) 13.598 9.603 ( 2.385 -6.879 3.481) 8.070 10.137 ( 23.433 0.765 5.594) 24.103 10.195 ( 22.384 0.317 11.651) 25.236 10.569 ( 11.661 3.935 6.957) 14.138 10.662 ( 6.125 0.009 6.275) 8.769 10.758 ( 10.146 18.506 11.483) 24.027 11.033 ( 2.860 0.704 19.475) 19.696 11.328 ( 10.997 0.047 7.184) 13.136 11.398 ( 4.745 -1.851 8.857) 10.217 11.557 ( 8.870 1.583 9.440) 13.050 11.964 ( 3.595 0.836 -2.139) 4.266 12.226 ( 10.325 6.720 8.058) 14.721 12.483 ( -2.289 -8.788 7.133) 11.548 12.650 ( 4.937 -1.006 12.603) 13.573 12.889 ( 6.571 -17.434 4.340) 19.130 13.057 ( 2.365 8.960 1.875) 9.455 13.505 ( 1.993 -6.016 -4.978) 8.059 13.911 ( -4.251 1.225 4.023) 5.980 14.237 ( -3.774 11.195 4.215) 12.544 14.427 ( -0.547 -5.855 -10.874) 12.362 14.663 ( -0.002 0.096 -5.604) 5.605 15.327 ( -1.454 -11.923 -5.445) 13.188 15.436 ( -1.406 -15.397 2.631) 15.683 16.281 ( -1.027 17.482 -7.281) 18.965 16.766 ( -1.520 -1.464 -10.881) 11.083 17.014 ( 3.892 4.785 -13.223) 14.591 17.236 ( -9.245 -0.983 0.706) 9.323 17.316 ( -7.258 -1.947 1.778) 7.722 17.546 ( -5.723 12.402 -5.972) 14.907 18.031 ( -0.287 -0.084 -5.284) 5.292 18.270 ( -8.639 -12.632 -2.487) 15.504 18.710 ( -7.739 6.224 18.874) 21.328 18.735 ( 8.983 -2.800 -17.072) 19.493 19.264 ( -5.696 -14.113 -5.119) 16.057 19.756 ( 0.361 -24.154 9.777) 26.061 20.735 ( -4.196 12.292 -0.770) 13.011 21.041 ( -9.960 -3.482 12.156) 16.096 21.241 ( -1.074 0.606 11.176) 11.243 21.577 ( 2.307 -1.846 -12.111) 12.466 22.231 ( -12.989 27.291 -11.706) 32.412 22.936 ( -9.437 -2.152 -13.969) 16.995 ======================= Grid point 123 (45/108) ======================= q-point: ( 0.20 0.20 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( 16.695 8.013 20.632) 27.724 1.954 ( 20.125 7.811 16.296) 27.048 2.664 ( 5.486 -10.397 6.887) 13.624 2.795 ( 10.055 -13.360 2.198) 16.865 3.257 ( 22.749 11.501 27.878) 37.776 3.457 ( 1.006 2.452 -3.020) 4.018 3.520 ( -4.170 2.240 1.084) 4.856 3.537 ( -6.374 4.418 0.333) 7.762 3.792 ( -4.369 2.700 8.116) 9.605 3.874 ( -0.887 5.902 -5.527) 8.134 3.958 ( -1.265 -3.266 -5.299) 6.352 4.063 ( -7.095 7.359 3.516) 10.810 4.230 ( 10.407 1.779 -10.177) 14.664 4.452 ( -7.262 -1.888 4.928) 8.977 4.964 ( -2.578 -14.549 7.897) 16.753 5.010 ( -5.554 -8.492 -9.844) 14.137 5.230 ( 9.151 -6.544 5.076) 12.343 5.387 ( -0.135 -8.018 1.085) 8.092 5.897 ( -1.006 13.531 4.325) 14.241 6.113 ( 1.152 7.141 0.374) 7.243 6.452 ( 1.845 1.268 0.291) 2.257 6.574 ( -0.478 0.934 -6.438) 6.523 6.815 ( -10.984 -3.198 -7.534) 13.698 6.892 ( -5.005 -1.003 -8.526) 9.937 7.185 ( 16.918 3.540 3.577) 17.650 7.549 ( 12.262 -3.792 1.898) 12.974 7.836 ( 3.880 19.108 -6.262) 20.479 8.191 ( 3.882 3.984 14.562) 15.588 8.752 ( -5.352 -5.576 8.267) 11.318 8.818 ( 2.022 -4.483 -7.475) 8.948 9.005 ( -8.378 5.696 3.713) 10.790 9.616 ( -1.014 -8.547 3.761) 9.393 10.610 ( 12.725 6.655 14.492) 20.402 10.665 ( 12.827 2.994 14.581) 19.650 10.757 ( 21.759 6.015 12.751) 25.928 10.930 ( 21.013 0.099 7.042) 22.162 11.039 ( 13.802 3.759 3.380) 14.699 11.198 ( 12.946 1.348 14.677) 19.617 11.439 ( 3.725 4.060 11.056) 12.353 11.664 ( 20.698 -3.421 15.073) 25.832 11.696 ( 4.201 -2.764 13.273) 14.193 12.154 ( 15.413 -0.273 -0.619) 15.428 12.380 ( -3.644 -7.450 3.097) 8.853 12.555 ( 20.360 6.587 3.565) 21.694 12.802 ( 8.042 3.701 8.672) 12.392 13.000 ( 3.798 -14.490 6.484) 16.322 13.177 ( 10.306 4.462 2.372) 11.478 13.573 ( 5.041 -6.670 -4.039) 9.285 13.840 ( -1.490 2.496 -0.361) 2.929 14.148 ( -4.568 13.647 3.378) 14.782 14.428 ( 0.878 -7.102 -9.148) 11.615 14.652 ( -0.882 1.615 -5.307) 5.617 15.305 ( -0.525 -14.859 -4.830) 15.633 15.375 ( -4.483 -11.740 2.731) 12.860 16.248 ( -2.912 17.638 -7.631) 19.437 16.692 ( -5.900 -2.400 -11.439) 13.093 17.051 ( -6.423 2.160 -2.624) 7.267 17.088 ( -1.201 -0.279 -7.828) 7.924 17.205 ( -0.828 -1.996 -3.666) 4.256 17.404 ( -8.554 14.802 -5.245) 17.882 17.880 ( -13.925 -3.396 -8.589) 16.710 18.099 ( -9.753 -8.460 -3.322) 13.332 18.534 ( -7.435 -0.290 10.729) 13.056 18.900 ( 0.558 -9.847 -9.017) 13.363 19.141 ( -1.013 -1.598 -1.612) 2.486 19.764 ( 0.414 -18.492 9.517) 20.801 20.625 ( -6.586 3.637 4.174) 8.603 20.831 ( -10.357 -0.766 10.111) 14.495 21.197 ( -3.049 7.097 5.853) 9.691 21.587 ( -2.183 5.603 -13.585) 14.857 21.993 ( -9.054 15.107 -4.799) 18.255 22.687 ( -14.614 -3.343 -12.772) 19.695 ======================= Grid point 124 (46/108) ======================= q-point: ( 0.30 0.20 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( 17.280 4.618 16.327) 24.218 2.347 ( 19.176 6.171 12.290) 23.597 2.773 ( 5.849 -8.099 5.083) 11.209 3.015 ( 11.402 -11.337 -1.431) 16.142 3.334 ( -8.482 -0.342 3.429) 9.155 3.374 ( -6.357 5.121 0.747) 8.197 3.460 ( -3.677 -1.125 0.027) 3.846 3.568 ( 0.174 0.993 -3.189) 3.344 3.678 ( -7.692 -0.838 4.226) 8.816 3.895 ( -5.295 0.288 -4.993) 7.283 4.012 ( 7.484 13.451 -12.393) 19.762 4.133 ( 24.496 12.000 19.506) 33.534 4.272 ( -8.667 -1.743 6.130) 10.758 4.468 ( 4.593 -6.798 -13.193) 15.536 4.783 ( -5.496 0.850 -6.767) 8.759 4.920 ( -5.022 0.507 -15.223) 16.038 5.408 ( 9.211 -14.079 9.749) 19.445 5.501 ( 8.951 -5.515 0.686) 10.536 5.936 ( 2.793 7.224 4.082) 8.755 6.119 ( -0.309 2.565 5.242) 5.844 6.392 ( -11.487 -0.361 -3.478) 12.008 6.465 ( -5.205 1.062 0.830) 5.377 6.602 ( -10.637 0.332 -2.524) 10.937 6.747 ( -8.189 -0.606 -7.065) 10.832 7.555 ( 18.614 1.654 6.024) 19.634 7.834 ( 14.596 -2.819 5.863) 15.980 7.954 ( 8.246 17.097 -1.293) 19.026 8.265 ( 3.123 3.122 11.798) 12.597 8.625 ( -7.695 0.534 9.420) 12.176 8.719 ( -8.766 3.046 9.485) 13.270 9.021 ( 6.527 -6.382 -7.879) 12.059 9.566 ( -3.860 -10.023 3.119) 11.184 10.702 ( 4.056 9.166 15.578) 18.524 10.877 ( 6.795 6.029 22.306) 24.085 11.161 ( 15.772 1.316 20.333) 25.766 11.249 ( 9.041 0.158 3.048) 9.542 11.312 ( 13.762 -0.151 8.523) 16.188 11.393 ( 4.545 -2.146 12.031) 13.039 11.568 ( 7.050 5.305 9.130) 12.697 11.741 ( 3.844 -0.253 12.926) 13.488 12.069 ( 7.361 -6.191 7.128) 11.971 12.371 ( 5.127 -3.391 6.650) 9.055 12.470 ( 13.941 0.973 12.249) 18.583 12.946 ( 4.761 -13.381 6.624) 15.671 13.083 ( 23.822 2.678 7.811) 25.212 13.142 ( 21.233 5.342 5.511) 22.578 13.449 ( 18.504 4.760 -0.100) 19.107 13.685 ( 4.834 -2.315 -1.487) 5.562 13.920 ( 11.078 -0.125 -4.652) 12.016 14.098 ( 2.016 14.092 2.729) 14.495 14.439 ( -0.690 -4.790 -5.099) 7.030 14.683 ( 5.866 0.401 -9.406) 11.092 15.276 ( -3.640 -11.802 5.878) 13.678 15.315 ( 0.242 -14.845 -9.030) 17.377 16.150 ( -6.142 19.201 -8.187) 21.758 16.554 ( -8.787 -5.755 -8.951) 13.801 16.877 ( -15.604 -2.779 -2.685) 16.075 16.982 ( -2.643 3.768 -6.770) 8.187 17.201 ( -9.119 9.838 -8.745) 16.013 17.350 ( 9.198 2.889 -8.788) 13.045 17.496 ( -23.841 1.554 -2.094) 23.983 17.932 ( -4.946 -8.281 -6.621) 11.700 18.393 ( -7.861 -6.710 4.947) 11.458 18.670 ( -17.558 -11.717 -6.332) 22.038 19.321 ( 13.554 3.567 -1.388) 14.084 19.777 ( 1.026 -10.790 9.716) 14.557 20.479 ( -7.763 -4.954 9.039) 12.904 20.642 ( -8.771 -3.460 7.604) 12.113 21.137 ( -2.447 14.668 0.323) 14.875 21.486 ( -7.220 15.002 -12.011) 20.529 21.890 ( -1.936 0.768 -5.591) 5.966 22.390 ( -14.480 -4.180 -12.018) 19.276 ======================= Grid point 125 (47/108) ======================= q-point: ( 0.40 0.20 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.564 ( 14.245 2.092 12.546) 19.097 2.699 ( 15.246 4.143 9.117) 18.241 2.913 ( 8.059 -5.597 3.010) 10.264 3.132 ( -10.246 2.734 6.611) 12.497 3.168 ( 1.123 -7.782 0.876) 7.911 3.269 ( -5.249 5.220 0.759) 7.441 3.446 ( 1.591 1.514 -4.127) 4.675 3.498 ( -4.629 -2.573 -2.132) 5.709 3.526 ( -1.827 0.174 -0.699) 1.963 3.836 ( 0.356 -4.412 -6.094) 7.532 4.037 ( -12.718 -3.406 3.919) 13.737 4.184 ( -3.579 1.866 -13.272) 13.873 4.270 ( -0.921 6.519 -16.834) 18.075 4.708 ( 4.290 12.883 -9.510) 16.578 4.776 ( 16.205 10.066 0.440) 19.082 5.049 ( 19.234 -7.203 -8.124) 22.087 5.534 ( -0.658 -7.717 -1.527) 7.894 5.684 ( 9.766 -10.616 4.405) 15.082 5.870 ( -11.325 -3.343 1.759) 11.938 6.098 ( -9.711 -2.923 8.674) 13.345 6.178 ( 1.841 7.465 4.700) 9.011 6.356 ( -7.208 2.061 0.110) 7.498 6.416 ( -4.928 3.648 3.692) 7.158 6.583 ( -8.312 0.496 -1.548) 8.470 7.890 ( 14.600 1.522 6.274) 15.964 8.087 ( 11.190 1.605 10.570) 15.476 8.156 ( 10.493 10.431 1.624) 14.885 8.289 ( -1.502 1.329 9.229) 9.445 8.456 ( -8.211 8.050 6.360) 13.141 8.544 ( -9.181 1.301 14.627) 17.318 9.171 ( 7.994 -9.673 -5.957) 13.891 9.466 ( -6.119 -10.830 0.819) 12.467 10.803 ( 5.853 8.018 18.743) 21.210 10.952 ( 0.842 7.255 25.028) 26.072 11.344 ( 4.157 0.565 18.788) 19.251 11.406 ( 2.961 0.981 11.893) 12.295 11.451 ( 4.717 -3.393 5.208) 7.803 11.529 ( 7.818 -1.350 6.937) 10.539 11.644 ( 2.969 3.234 7.854) 8.998 11.869 ( 5.925 -3.021 12.583) 14.233 12.046 ( -2.153 0.797 6.602) 6.990 12.346 ( -6.492 2.759 12.357) 14.229 12.712 ( 7.766 -8.307 15.826) 19.488 12.912 ( -4.037 -13.387 11.559) 18.141 13.412 ( 11.009 8.984 11.702) 18.408 13.652 ( 3.971 7.000 -1.322) 8.156 13.722 ( 17.912 0.355 1.636) 17.991 13.836 ( 6.099 2.223 -1.955) 6.779 14.214 ( 17.709 2.520 -6.694) 19.099 14.427 ( 4.162 2.135 -4.031) 6.175 14.510 ( 35.898 4.883 0.515) 36.232 14.892 ( 15.123 -6.833 -8.055) 18.447 15.270 ( -0.055 -9.676 -5.407) 11.085 15.295 ( 2.303 -13.026 -1.685) 13.335 16.033 ( -10.694 10.511 -4.684) 15.709 16.286 ( -14.585 -1.812 -1.690) 14.794 16.473 ( -24.116 0.969 -6.509) 24.997 16.863 ( -17.144 9.425 -7.082) 20.806 17.010 ( -4.083 5.128 -8.213) 10.508 17.118 ( -8.290 5.495 -5.576) 11.403 17.577 ( 13.017 -2.632 -7.742) 15.372 17.926 ( 4.033 -8.509 -7.853) 12.261 18.186 ( -13.805 -10.120 -0.172) 17.117 18.318 ( -15.608 -7.466 -5.981) 18.307 19.593 ( 12.770 3.460 0.606) 13.244 19.802 ( 1.064 -2.666 9.292) 9.725 20.342 ( -5.102 -9.927 10.290) 15.181 20.466 ( -8.930 -10.238 6.743) 15.167 21.123 ( 1.466 19.058 -3.470) 19.427 21.332 ( -7.696 17.532 -8.263) 20.853 21.892 ( 1.914 -3.917 -9.151) 10.136 22.135 ( -10.748 -4.630 -11.818) 16.632 ======================= Grid point 126 (48/108) ======================= q-point: (-0.50 0.20 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.802 ( -8.157 -0.023 9.549) 12.559 2.802 ( 8.157 -0.023 9.549) 12.559 3.040 ( -1.494 1.624 3.940) 4.516 3.040 ( 1.494 1.624 3.940) 4.516 3.143 ( -3.490 -0.443 1.990) 4.041 3.143 ( 3.490 -0.443 1.990) 4.041 3.420 ( -1.285 2.893 -0.002) 3.166 3.420 ( 1.285 2.893 -0.002) 3.166 3.751 ( -15.531 -3.216 -5.006) 16.631 3.751 ( 15.531 -3.216 -5.006) 16.631 3.932 ( -9.640 -7.016 -7.204) 13.930 3.932 ( 9.640 -7.016 -7.204) 13.930 4.500 ( -12.878 13.945 -20.089) 27.638 4.500 ( 12.878 13.945 -20.089) 27.638 5.261 ( -16.636 3.344 -4.624) 17.587 5.261 ( 16.636 3.344 -4.624) 17.587 5.515 ( -17.212 -8.583 -0.175) 19.234 5.515 ( 17.212 -8.583 -0.175) 19.234 5.904 ( -9.403 -7.584 9.370) 15.288 5.904 ( 9.403 -7.584 9.370) 15.288 6.249 ( -3.239 6.601 3.582) 8.179 6.249 ( 3.239 6.601 3.582) 8.179 6.431 ( -5.817 1.423 3.525) 6.949 6.431 ( 5.817 1.423 3.525) 6.949 8.133 ( -9.426 2.346 6.746) 11.826 8.133 ( 9.426 2.346 6.746) 11.826 8.320 ( -5.874 3.354 7.836) 10.351 8.320 ( 5.874 3.354 7.836) 10.351 8.347 ( -9.369 6.598 10.829) 15.766 8.347 ( 9.369 6.598 10.829) 15.766 9.328 ( -7.592 -10.763 -2.530) 13.412 9.328 ( 7.592 -10.763 -2.530) 13.412 10.913 ( -4.427 7.374 22.763) 24.334 10.913 ( 4.427 7.374 22.763) 24.334 11.398 ( -1.772 -0.880 16.293) 16.413 11.398 ( 1.772 -0.880 16.293) 16.413 11.545 ( -3.500 2.625 5.675) 7.165 11.545 ( 3.500 2.625 5.675) 7.165 11.799 ( -9.256 -5.463 3.454) 11.289 11.799 ( 9.256 -5.463 3.454) 11.289 12.169 ( -10.264 4.736 16.792) 20.242 12.169 ( 10.264 4.736 16.792) 20.242 12.824 ( -4.640 -11.899 14.814) 19.560 12.824 ( 4.640 -11.899 14.814) 19.560 13.584 ( -6.552 10.456 4.777) 13.232 13.584 ( 6.552 10.456 4.777) 13.232 13.889 ( -0.558 -0.168 0.929) 1.097 13.889 ( 0.558 -0.168 0.929) 1.097 14.459 ( -3.084 1.301 -9.676) 10.239 14.459 ( 3.084 1.301 -9.676) 10.239 15.045 ( -14.271 -2.784 -4.770) 15.302 15.045 ( 14.271 -2.784 -4.770) 15.302 15.496 ( -35.386 -6.609 -1.776) 36.041 15.496 ( 35.386 -6.609 -1.776) 36.041 15.717 ( -34.441 -3.965 0.271) 34.669 15.717 ( 34.441 -3.965 0.271) 34.669 16.486 ( -16.657 12.245 -5.339) 21.352 16.486 ( 16.657 12.245 -5.339) 21.352 17.024 ( -2.856 4.784 -9.759) 11.237 17.024 ( 2.856 4.784 -9.759) 11.237 17.868 ( -15.991 -6.920 -5.470) 18.262 17.868 ( 15.991 -6.920 -5.470) 18.262 18.073 ( -9.836 -7.927 -6.207) 14.075 18.073 ( 9.836 -7.927 -6.207) 14.075 19.779 ( -4.822 3.257 5.496) 8.004 19.779 ( 4.822 3.257 5.496) 8.004 20.322 ( -3.917 -13.280 8.173) 16.078 20.322 ( 3.917 -13.280 8.173) 16.078 21.196 ( -5.577 18.812 -5.621) 20.410 21.196 ( 5.577 18.812 -5.621) 20.410 21.969 ( -5.976 -4.766 -11.210) 13.568 21.969 ( 5.976 -4.766 -11.210) 13.568 ======================= Grid point 132 (49/108) ======================= q-point: ( 0.00 0.40 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 0.000 18.251 20.884) 27.735 1.797 ( 0.000 13.672 16.394) 21.347 2.171 ( 0.000 -15.938 18.321) 24.283 2.236 ( 0.000 -16.600 9.530) 19.141 3.213 ( 0.000 25.894 26.180) 36.823 3.434 ( 0.000 0.619 -4.774) 4.814 3.632 ( 0.000 5.637 -2.230) 6.062 3.786 ( 0.000 0.435 -1.681) 1.737 3.907 ( 0.000 -3.957 8.637) 9.500 3.941 ( 0.000 -3.632 1.086) 3.791 4.008 ( 0.000 5.786 5.562) 8.026 4.156 ( 0.000 -8.460 6.343) 10.573 4.383 ( 0.000 -6.780 5.799) 8.922 4.491 ( 0.000 -4.208 -1.161) 4.365 4.599 ( 0.000 6.140 5.091) 7.976 4.764 ( 0.000 -5.041 6.271) 8.046 5.091 ( 0.000 -5.884 1.325) 6.031 5.101 ( 0.000 -9.039 9.994) 13.476 6.132 ( 0.000 2.078 4.367) 4.836 6.160 ( 0.000 0.206 7.043) 7.046 6.682 ( 0.000 6.878 -9.932) 12.080 6.696 ( 0.000 8.111 -8.800) 11.968 6.756 ( 0.000 16.535 -8.973) 18.813 6.931 ( 0.000 -2.022 -7.590) 7.855 7.105 ( 0.000 -9.522 -9.401) 13.381 7.106 ( 0.000 -8.058 -0.877) 8.105 8.122 ( 0.000 9.450 -4.513) 10.472 8.176 ( 0.000 2.288 11.106) 11.339 8.699 ( 0.000 1.070 -12.602) 12.648 8.767 ( 0.000 -6.492 -3.848) 7.547 9.448 ( 0.000 1.595 0.796) 1.783 9.477 ( 0.000 -1.938 2.754) 3.368 9.904 ( 0.000 1.179 6.642) 6.746 9.935 ( 0.000 -1.759 9.467) 9.629 10.471 ( 0.000 2.073 5.618) 5.989 10.512 ( 0.000 -1.708 5.649) 5.902 11.035 ( 0.000 2.717 15.645) 15.879 11.084 ( 0.000 -2.979 10.801) 11.204 11.256 ( 0.000 21.733 16.275) 27.152 11.403 ( 0.000 2.126 6.668) 6.999 11.571 ( 0.000 9.177 0.961) 9.227 11.896 ( 0.000 -10.179 -0.854) 10.215 12.282 ( 0.000 5.528 5.568) 7.846 12.335 ( 0.000 -6.524 10.764) 12.587 12.383 ( 0.000 -10.807 12.966) 16.879 12.505 ( 0.000 -9.455 9.838) 13.645 13.236 ( 0.000 8.175 1.586) 8.328 13.368 ( 0.000 -5.774 -1.508) 5.967 14.061 ( 0.000 9.048 0.109) 9.048 14.273 ( 0.000 -10.378 -6.268) 12.124 14.481 ( 0.000 9.495 0.071) 9.496 14.624 ( 0.000 -4.070 -4.435) 6.020 15.166 ( 0.000 -5.571 0.378) 5.584 15.179 ( 0.000 -7.585 1.038) 7.656 16.580 ( 0.000 10.457 -6.286) 12.201 16.724 ( 0.000 -4.356 -9.108) 10.096 17.090 ( 0.000 5.014 -6.846) 8.486 17.197 ( 0.000 -6.009 -0.831) 6.066 17.582 ( 0.000 14.573 -0.074) 14.574 17.800 ( 0.000 4.596 -8.662) 9.806 18.012 ( 0.000 -2.835 -8.070) 8.554 18.043 ( 0.000 -16.352 -6.898) 17.748 18.677 ( 0.000 9.187 -14.297) 16.994 18.944 ( 0.000 -16.889 -8.511) 18.913 19.004 ( 0.000 12.204 16.504) 20.526 19.310 ( 0.000 -18.269 16.204) 24.420 21.011 ( 0.000 8.461 8.601) 12.065 21.152 ( 0.000 -5.733 12.991) 14.199 21.260 ( 0.000 9.502 -0.391) 9.510 21.438 ( 0.000 -7.219 -8.802) 11.384 22.807 ( 0.000 13.048 -19.154) 23.176 22.975 ( 0.000 -4.822 -16.244) 16.944 ======================= Grid point 133 (50/108) ======================= q-point: ( 0.10 0.40 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( 13.589 15.774 17.818) 27.403 1.894 ( 9.129 14.280 15.197) 22.765 2.256 ( 7.443 -15.504 15.761) 23.328 2.297 ( 6.295 -16.490 8.590) 19.630 3.305 ( 8.260 20.551 20.871) 30.433 3.466 ( 2.631 0.745 -3.624) 4.540 3.635 ( 0.108 7.527 -1.446) 7.666 3.763 ( -2.276 1.561 -1.058) 2.956 3.874 ( -0.985 -0.837 5.065) 5.227 3.902 ( -5.911 -0.724 5.324) 7.988 4.008 ( -0.328 3.373 1.570) 3.735 4.172 ( 3.132 -6.821 7.454) 10.578 4.309 ( -4.724 -1.944 0.600) 5.143 4.437 ( -3.197 -14.157 7.109) 16.161 4.585 ( -2.016 7.852 4.492) 9.268 4.810 ( 1.794 -10.465 0.656) 10.638 5.103 ( 3.878 -0.466 6.348) 7.454 5.182 ( 4.571 -8.021 4.020) 10.070 6.129 ( -0.213 4.836 2.889) 5.637 6.200 ( 2.132 -1.526 4.642) 5.331 6.561 ( -5.766 12.493 -11.110) 17.685 6.669 ( -1.608 3.992 -9.906) 10.801 6.881 ( 1.222 -0.641 -7.756) 7.878 6.907 ( -2.976 -2.707 -6.659) 7.780 7.053 ( 5.533 5.011 -0.645) 7.493 7.233 ( 7.589 -9.128 -2.303) 12.092 8.141 ( 1.926 11.017 -4.534) 12.069 8.207 ( 3.013 2.653 11.328) 12.018 8.691 ( -0.565 -1.853 -11.638) 11.798 8.714 ( -4.222 -5.233 0.586) 6.750 9.344 ( -8.059 5.781 3.047) 10.375 9.467 ( -1.863 -6.468 3.227) 7.464 10.161 ( 24.063 1.431 7.584) 25.271 10.187 ( 23.955 -1.024 10.154) 26.038 10.616 ( 12.567 1.935 6.416) 14.242 10.649 ( 10.485 -1.199 6.585) 12.439 11.078 ( 4.700 4.022 14.936) 16.167 11.160 ( 6.398 3.358 13.534) 15.342 11.281 ( 3.509 11.179 12.370) 17.038 11.454 ( 4.102 -0.039 11.970) 12.653 11.620 ( 4.626 9.062 2.442) 10.463 11.923 ( 3.418 -10.701 -3.081) 11.649 12.281 ( 0.509 -0.060 5.165) 5.190 12.416 ( 8.766 3.934 7.450) 12.159 12.491 ( 9.157 -13.800 8.662) 18.691 12.583 ( 8.122 -7.154 10.648) 15.183 13.241 ( 0.746 8.017 1.964) 8.287 13.378 ( 1.048 -6.239 -0.899) 6.390 14.027 ( -2.857 9.831 -1.061) 10.292 14.253 ( -1.579 -11.045 -6.389) 12.857 14.466 ( -1.438 10.790 0.072) 10.885 14.630 ( 0.410 -4.541 -3.813) 5.943 15.132 ( -2.567 -4.603 0.797) 5.330 15.183 ( -0.631 -8.797 0.741) 8.851 16.566 ( -1.258 10.475 -6.585) 12.437 16.712 ( -1.460 -4.415 -9.120) 10.237 17.092 ( -0.135 2.890 -5.790) 6.473 17.171 ( -2.203 -4.977 -1.582) 5.668 17.463 ( -10.216 16.495 -3.820) 19.774 17.770 ( -3.246 1.903 -5.588) 6.736 17.912 ( -9.707 -8.568 -13.039) 18.375 18.024 ( -1.202 -7.395 -3.347) 8.206 18.721 ( 0.770 2.714 -16.088) 16.334 18.809 ( -8.422 -1.537 4.297) 9.579 19.076 ( 3.574 2.516 7.463) 8.649 19.326 ( 2.380 -18.111 15.368) 23.872 20.914 ( -8.561 6.817 8.879) 14.093 21.018 ( -9.900 -2.873 9.672) 14.136 21.330 ( 3.879 7.986 0.289) 8.883 21.489 ( 3.903 -6.608 -7.844) 10.974 22.656 ( -13.688 14.721 -15.774) 25.552 22.857 ( -11.166 -6.192 -14.894) 19.617 ======================= Grid point 134 (51/108) ======================= q-point: ( 0.20 0.40 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( 13.048 12.310 13.175) 22.257 2.163 ( 16.671 12.005 12.155) 23.870 2.415 ( 8.410 -12.619 9.679) 17.991 2.491 ( 12.280 -15.482 7.369) 21.090 3.424 ( 0.574 4.350 3.689) 5.733 3.473 ( -2.851 -0.960 -0.291) 3.022 3.658 ( -5.242 7.547 1.495) 9.309 3.688 ( -0.704 7.889 -3.205) 8.545 3.784 ( -5.143 -0.633 6.968) 8.684 3.865 ( 1.562 -5.675 -4.094) 7.169 4.068 ( 10.285 14.791 18.852) 26.075 4.210 ( -0.865 5.389 -6.464) 8.460 4.265 ( 1.587 -0.738 -9.293) 9.457 4.491 ( -1.961 0.040 9.609) 9.807 4.528 ( 8.226 -15.162 14.930) 22.814 4.777 ( -5.056 -14.398 -2.503) 15.464 5.201 ( 3.918 2.036 0.289) 4.425 5.271 ( 4.945 -4.379 -0.802) 6.653 6.108 ( -1.818 7.618 1.053) 7.902 6.201 ( -1.974 -0.564 -0.238) 2.067 6.493 ( -2.499 5.029 -5.873) 8.126 6.599 ( -5.897 -2.302 -8.346) 10.475 6.777 ( -6.309 1.459 -3.474) 7.348 6.846 ( -5.173 -3.544 -5.473) 8.323 7.298 ( 15.838 7.108 3.170) 17.647 7.442 ( 13.680 -6.607 2.310) 15.367 8.201 ( 4.250 13.782 -3.131) 14.758 8.283 ( 4.166 3.697 12.413) 13.606 8.633 ( -3.637 -3.939 6.776) 8.640 8.688 ( 0.616 -7.518 -9.126) 11.840 9.176 ( -8.352 10.692 4.007) 14.147 9.407 ( -4.127 -11.563 3.873) 12.874 10.703 ( 24.351 3.574 14.154) 28.392 10.739 ( 24.386 1.776 15.191) 28.786 10.825 ( 8.747 2.058 8.157) 12.136 10.905 ( 15.280 -3.946 6.296) 16.991 11.231 ( 4.679 12.861 15.428) 20.623 11.284 ( 11.917 6.103 9.197) 16.243 11.453 ( 11.370 -2.771 12.593) 17.191 11.545 ( 7.026 -8.562 11.640) 16.068 11.752 ( 10.399 10.511 10.363) 18.055 12.035 ( 6.822 -13.883 3.374) 15.832 12.345 ( 6.823 7.485 2.974) 10.556 12.592 ( 5.745 -13.466 2.914) 14.928 12.741 ( 18.105 4.605 5.637) 19.513 12.849 ( 16.603 -3.349 6.360) 18.092 13.294 ( 5.955 6.385 2.318) 9.033 13.428 ( 5.031 -7.123 -1.305) 8.818 13.979 ( -1.188 11.010 -2.397) 11.331 14.227 ( -0.939 -11.630 -5.071) 12.722 14.440 ( -0.384 13.161 -1.026) 13.206 14.638 ( 0.562 -4.605 -3.661) 5.910 15.071 ( -3.394 -4.813 1.037) 5.981 15.146 ( -2.994 -9.884 -0.234) 10.330 16.530 ( -2.670 9.611 -7.216) 12.311 16.651 ( -5.005 -2.986 -8.990) 10.714 17.063 ( -2.912 0.617 -3.833) 4.853 17.102 ( -6.720 -2.474 -0.887) 7.215 17.287 ( -4.018 14.342 -11.670) 18.922 17.643 ( -9.799 -16.673 -9.699) 21.635 17.722 ( -8.185 13.108 -8.730) 17.749 17.947 ( -7.116 -7.764 -2.890) 10.921 18.552 ( -12.803 2.927 0.677) 13.151 18.680 ( -9.667 -9.716 -6.893) 15.342 19.191 ( 8.849 6.992 7.194) 13.377 19.415 ( 6.229 -14.889 11.832) 20.012 20.708 ( -11.497 4.992 9.632) 15.807 20.800 ( -11.738 -3.364 9.111) 15.235 21.389 ( 2.109 10.234 -2.756) 10.806 21.559 ( 2.910 -5.963 -8.660) 10.909 22.338 ( -16.756 15.428 -10.610) 25.127 22.574 ( -16.062 -8.293 -12.433) 21.939 ======================= Grid point 135 (52/108) ======================= q-point: ( 0.30 0.40 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( 13.551 8.393 10.605) 19.145 2.495 ( 15.851 5.993 7.438) 18.507 2.599 ( 10.638 -5.802 7.511) 14.256 2.759 ( 14.068 -12.838 3.491) 19.362 3.346 ( -6.499 1.448 1.289) 6.782 3.393 ( -5.448 -3.321 0.458) 6.397 3.495 ( -6.330 6.204 0.172) 8.865 3.601 ( -6.739 -3.465 -1.067) 7.652 3.701 ( -5.228 6.734 -1.212) 8.611 3.844 ( -5.136 -5.770 -4.414) 8.897 4.221 ( -0.685 4.324 -5.991) 7.420 4.314 ( -3.543 0.059 -4.992) 6.121 4.365 ( 1.990 7.831 -8.934) 12.046 4.473 ( 23.024 16.790 20.116) 34.881 4.653 ( 1.054 -9.782 -4.788) 10.942 4.863 ( 16.343 -13.535 12.473) 24.614 5.232 ( 0.562 2.300 -7.301) 7.675 5.366 ( 3.185 -7.681 -6.921) 10.818 6.063 ( -3.691 5.238 1.582) 6.600 6.138 ( -3.878 -1.618 3.312) 5.350 6.403 ( -7.231 2.028 -1.909) 7.749 6.454 ( -6.757 -2.110 -1.514) 7.238 6.650 ( -7.031 3.705 -0.151) 7.949 6.717 ( -7.118 -2.533 -3.089) 8.162 7.635 ( 17.179 5.525 5.615) 18.899 7.749 ( 15.934 -5.301 5.487) 17.666 8.309 ( 6.175 13.980 1.109) 15.323 8.350 ( 1.985 4.731 12.962) 13.941 8.565 ( -3.409 -1.391 9.517) 10.204 8.728 ( 3.305 -10.132 -6.326) 12.393 9.016 ( -7.487 11.403 2.859) 13.937 9.306 ( -5.907 -14.929 3.230) 16.376 10.907 ( 4.715 10.252 11.847) 16.361 11.028 ( 10.015 5.517 16.053) 19.708 11.131 ( 11.179 -4.152 20.659) 23.854 11.205 ( 13.050 -5.681 16.927) 22.116 11.303 ( 5.605 5.607 7.655) 11.021 11.416 ( 0.998 -1.926 12.768) 12.951 11.655 ( 4.917 3.642 7.495) 9.676 11.722 ( 8.077 -1.937 3.343) 8.954 12.039 ( 10.793 5.578 14.022) 18.553 12.234 ( 14.754 -10.136 11.424) 21.235 12.513 ( 5.775 3.831 9.603) 11.843 12.660 ( 1.756 -11.681 5.998) 13.248 13.173 ( 24.451 4.711 6.213) 25.664 13.221 ( 22.727 0.838 4.947) 23.275 13.529 ( 17.770 3.713 -1.739) 18.237 13.620 ( 13.248 -4.840 -5.488) 15.135 14.012 ( 6.388 9.839 -1.485) 11.824 14.224 ( 2.043 -7.358 -0.844) 7.683 14.482 ( 4.708 12.324 -3.145) 13.562 14.668 ( 2.909 -2.777 -6.184) 7.376 15.010 ( -2.230 -7.645 1.374) 8.082 15.078 ( -3.363 -10.779 -2.784) 11.629 16.439 ( -7.260 7.715 -7.217) 12.818 16.513 ( -8.950 -0.528 -7.838) 11.909 16.888 ( -12.373 6.360 -2.962) 14.224 17.013 ( -2.648 -2.087 -6.388) 7.223 17.272 ( -1.034 2.552 -13.570) 13.846 17.413 ( -13.860 -8.869 -13.514) 21.293 17.576 ( -5.364 12.698 -3.811) 14.302 17.772 ( -7.638 -6.795 -2.391) 10.499 18.290 ( -13.265 -0.715 1.491) 13.368 18.416 ( -15.471 -11.637 -4.946) 19.981 19.410 ( 12.543 5.739 5.687) 14.920 19.563 ( 8.522 -9.486 10.164) 16.306 20.471 ( -12.191 3.085 10.003) 16.069 20.557 ( -12.581 -4.706 8.960) 16.146 21.423 ( 1.637 12.574 -5.507) 13.824 21.605 ( 1.860 -4.135 -10.596) 11.525 22.028 ( -13.819 12.272 -7.665) 20.008 22.256 ( -15.130 -9.206 -10.950) 20.822 ======================= Grid point 136 (53/108) ======================= q-point: ( 0.40 0.40 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.639 ( 11.912 5.224 8.207) 15.380 2.751 ( 10.365 -3.996 4.587) 12.019 2.842 ( 10.655 4.157 6.509) 13.160 2.991 ( 5.911 -8.826 3.202) 11.094 3.210 ( -5.020 4.471 2.285) 7.100 3.305 ( 0.000 -4.264 -1.252) 4.444 3.430 ( -3.092 3.612 1.540) 4.998 3.503 ( -3.619 -2.689 1.102) 4.641 3.586 ( -2.230 7.040 -5.595) 9.265 3.735 ( -3.493 -6.558 -5.251) 9.098 4.013 ( -14.395 2.124 -1.896) 14.674 4.099 ( -16.272 -5.353 -8.278) 19.025 4.542 ( 13.461 15.158 -15.904) 25.766 4.834 ( 15.345 -13.132 -13.171) 24.112 5.003 ( -2.629 14.277 -12.595) 19.219 5.023 ( 24.683 13.035 13.416) 30.970 5.327 ( -1.241 -10.917 -8.671) 13.997 5.403 ( 11.543 -15.497 5.999) 20.233 5.898 ( -13.595 4.563 4.433) 15.009 6.007 ( -11.228 -5.546 7.559) 14.627 6.307 ( 0.578 4.856 3.962) 6.294 6.367 ( -1.604 -1.114 2.558) 3.218 6.504 ( -6.880 4.348 2.293) 8.456 6.571 ( -7.550 -1.980 0.536) 7.824 7.955 ( 14.544 4.357 7.565) 16.963 8.041 ( 13.037 -3.742 8.819) 16.179 8.335 ( -3.429 3.490 11.467) 12.467 8.396 ( -1.603 0.455 12.589) 12.699 8.532 ( 3.304 13.974 1.353) 14.423 8.770 ( -2.233 9.762 0.707) 10.039 8.926 ( 1.319 -8.757 -1.826) 9.042 9.177 ( -6.978 -16.950 1.464) 18.389 11.007 ( 5.406 11.508 14.793) 19.506 11.146 ( 1.511 9.886 20.248) 22.583 11.249 ( 3.852 -8.742 13.758) 16.750 11.348 ( 0.281 -5.703 20.731) 21.503 11.464 ( 8.691 2.098 7.713) 11.808 11.502 ( 8.795 -1.667 10.122) 13.513 11.694 ( -0.122 1.980 8.870) 9.090 11.764 ( -2.530 -5.042 4.348) 7.122 12.187 ( 6.350 12.319 13.682) 19.475 12.424 ( 1.654 -0.497 11.915) 12.040 12.515 ( -1.171 -6.080 15.590) 16.775 12.653 ( -2.948 -11.065 12.009) 16.593 13.572 ( 13.623 6.456 8.124) 17.125 13.668 ( 16.740 -2.964 5.367) 17.828 13.789 ( 2.164 3.867 -0.059) 4.432 13.847 ( 7.006 -1.727 -3.811) 8.160 14.343 ( 21.712 9.556 -8.823) 25.310 14.477 ( 19.858 -0.121 -7.620) 21.270 14.675 ( 23.447 9.420 1.583) 25.318 14.747 ( 4.143 -3.945 -9.077) 10.729 15.000 ( -1.942 -10.194 -4.217) 11.202 15.066 ( 9.519 -12.423 3.591) 16.057 16.147 ( -24.680 3.765 -1.975) 25.043 16.232 ( -23.307 -4.346 -2.209) 23.812 16.693 ( -2.800 17.740 -9.272) 20.212 16.983 ( 0.154 -5.426 -10.063) 11.433 17.086 ( -16.242 5.834 -10.522) 20.213 17.179 ( -7.337 -1.189 -11.463) 13.661 17.585 ( 5.841 5.010 -4.497) 8.913 17.733 ( 3.307 -8.851 -5.473) 10.920 18.022 ( -13.648 -3.468 -0.769) 14.103 18.111 ( -14.194 -10.532 -5.098) 18.395 19.673 ( 13.459 4.244 5.917) 15.303 19.751 ( 10.199 -3.004 9.639) 14.351 20.230 ( -11.730 -0.427 9.770) 15.272 20.301 ( -13.010 -6.385 8.542) 16.823 21.468 ( 3.166 14.497 -7.145) 16.469 21.630 ( -0.305 5.367 -11.415) 12.618 21.811 ( -6.579 1.163 -7.071) 9.728 21.991 ( -11.224 -9.625 -10.646) 18.220 ======================= Grid point 137 (54/108) ======================= q-point: (-0.50 0.40 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.841 ( -6.885 3.823 6.486) 10.203 2.841 ( 6.885 3.823 6.486) 10.203 2.946 ( -6.602 -6.240 3.353) 9.683 2.946 ( 6.602 -6.240 3.353) 9.683 3.274 ( -8.804 8.383 2.598) 12.431 3.274 ( 8.804 8.383 2.598) 12.431 3.412 ( -5.233 -4.326 1.607) 6.977 3.412 ( 5.233 -4.326 1.607) 6.977 3.724 ( -12.529 1.562 -6.623) 14.258 3.724 ( 12.529 1.562 -6.623) 14.258 3.802 ( -10.188 -5.552 -7.301) 13.708 3.802 ( 10.188 -5.552 -7.301) 13.708 4.812 ( -12.636 16.441 -18.221) 27.604 4.812 ( 12.636 16.441 -18.221) 27.604 5.136 ( -13.483 -14.691 -15.685) 25.370 5.136 ( 13.483 -14.691 -15.685) 25.370 5.525 ( -22.510 8.835 9.791) 26.088 5.525 ( 22.510 8.835 9.791) 26.088 5.727 ( -15.947 -9.960 11.015) 21.790 5.727 ( 15.947 -9.960 11.015) 21.790 6.368 ( -2.767 4.912 3.244) 6.505 6.368 ( 2.767 4.912 3.244) 6.505 6.435 ( -4.218 -1.515 4.123) 6.090 6.435 ( 4.218 -1.515 4.123) 6.090 8.196 ( -8.425 3.709 9.498) 13.227 8.196 ( 8.425 3.709 9.498) 13.227 8.271 ( -8.059 -3.546 12.399) 15.207 8.271 ( 8.059 -3.546 12.399) 15.207 8.658 ( -7.015 18.589 1.312) 19.911 8.658 ( 7.015 18.589 1.312) 19.911 9.034 ( -7.109 -17.654 -0.916) 19.054 9.034 ( 7.109 -17.654 -0.916) 19.054 11.109 ( -4.232 11.265 18.447) 22.025 11.109 ( 4.232 11.265 18.447) 22.025 11.317 ( -2.645 -7.928 15.265) 17.403 11.317 ( 2.645 -7.928 15.265) 17.403 11.605 ( -2.592 3.343 8.150) 9.182 11.605 ( 2.592 3.343 8.150) 9.182 11.686 ( -2.821 -4.911 7.963) 9.771 11.686 ( 2.821 -4.911 7.963) 9.771 12.325 ( -7.394 10.682 14.704) 19.621 12.325 ( 7.394 10.682 14.704) 19.621 12.571 ( -4.389 -12.918 14.970) 20.254 12.571 ( 4.389 -12.918 14.970) 20.254 13.752 ( -5.206 6.388 4.213) 9.255 13.752 ( 5.206 6.388 4.213) 9.255 13.856 ( -3.858 -3.676 3.029) 6.130 13.856 ( 3.858 -3.676 3.029) 6.130 14.592 ( -4.689 12.041 -10.645) 16.742 14.592 ( 4.689 12.041 -10.645) 16.742 14.873 ( -7.259 -13.508 -11.100) 18.930 14.873 ( 7.259 -13.508 -11.100) 18.930 15.469 ( -38.025 3.561 2.673) 38.285 15.469 ( 38.025 3.561 2.673) 38.285 15.588 ( -33.830 -7.286 3.800) 34.814 15.588 ( 33.830 -7.286 3.800) 34.814 16.799 ( -11.152 16.708 -10.058) 22.465 16.799 ( 11.152 16.708 -10.058) 22.465 17.048 ( -5.254 -5.351 -11.410) 13.654 17.048 ( 5.254 -5.351 -11.410) 13.654 17.762 ( -11.191 -0.780 -4.051) 11.927 17.762 ( 11.191 -0.780 -4.051) 11.927 17.871 ( -9.515 -9.969 -5.399) 14.800 17.871 ( 9.515 -9.969 -5.399) 14.800 19.892 ( -3.716 7.843 8.009) 11.810 19.892 ( 3.716 7.843 8.009) 11.810 20.081 ( -4.156 -10.677 8.789) 14.440 20.081 ( 4.156 -10.677 8.789) 14.440 21.555 ( -5.382 15.916 -8.296) 18.738 21.555 ( 5.382 15.916 -8.296) 18.738 21.819 ( -5.740 -10.234 -10.197) 15.545 21.819 ( 5.740 -10.234 -10.197) 15.545 ======================= Grid point 165 (55/108) ======================= q-point: ( 0.00 0.00 0.30) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 0.000 0.000 29.875) 29.875 1.953 ( 0.000 0.000 28.794) 28.794 2.739 ( 0.000 0.000 1.156) 1.156 2.921 ( 0.000 0.000 15.650) 15.650 3.183 ( 0.000 0.000 -8.292) 8.292 3.415 ( 0.000 0.000 -2.916) 2.916 3.495 ( 0.000 0.000 36.072) 36.072 3.603 ( 0.000 0.000 -5.850) 5.850 3.732 ( 0.000 0.000 -4.011) 4.011 3.743 ( 0.000 0.000 -17.645) 17.645 3.964 ( 0.000 0.000 10.663) 10.663 4.268 ( 0.000 0.000 13.179) 13.179 4.517 ( 0.000 0.000 4.587) 4.587 4.863 ( 0.000 0.000 19.135) 19.135 5.067 ( 0.000 0.000 17.054) 17.054 5.163 ( 0.000 0.000 -7.206) 7.206 5.660 ( 0.000 0.000 14.469) 14.469 5.706 ( 0.000 0.000 1.066) 1.066 5.903 ( 0.000 0.000 1.204) 1.204 5.985 ( 0.000 0.000 -15.222) 15.222 6.137 ( 0.000 0.000 4.972) 4.972 6.303 ( 0.000 0.000 5.097) 5.097 6.430 ( 0.000 0.000 -7.724) 7.724 6.692 ( 0.000 0.000 -20.609) 20.609 7.075 ( 0.000 0.000 -16.167) 16.167 7.300 ( 0.000 0.000 -10.330) 10.330 7.308 ( 0.000 0.000 4.129) 4.129 8.362 ( 0.000 0.000 -17.452) 17.452 8.492 ( 0.000 0.000 23.569) 23.569 9.097 ( 0.000 0.000 1.042) 1.042 9.313 ( 0.000 0.000 -0.521) 0.521 9.638 ( 0.000 0.000 -2.428) 2.428 9.961 ( 0.000 0.000 4.374) 4.374 10.155 ( 0.000 0.000 7.049) 7.049 10.445 ( 0.000 0.000 -1.491) 1.491 10.449 ( 0.000 0.000 -1.508) 1.508 10.934 ( 0.000 0.000 22.921) 22.921 11.233 ( 0.000 0.000 0.433) 0.433 11.331 ( 0.000 0.000 1.064) 1.064 11.452 ( 0.000 0.000 18.569) 18.569 11.684 ( 0.000 0.000 11.138) 11.138 12.001 ( 0.000 0.000 10.884) 10.884 12.374 ( 0.000 0.000 18.729) 18.729 12.763 ( 0.000 0.000 -1.545) 1.545 12.996 ( 0.000 0.000 2.957) 2.957 13.007 ( 0.000 0.000 -0.720) 0.720 13.068 ( 0.000 0.000 32.216) 32.216 13.391 ( 0.000 0.000 -6.968) 6.968 14.214 ( 0.000 0.000 -13.514) 13.514 14.222 ( 0.000 0.000 14.015) 14.015 14.246 ( 0.000 0.000 5.797) 5.797 14.547 ( 0.000 0.000 -5.455) 5.455 15.216 ( 0.000 0.000 -12.308) 12.308 15.681 ( 0.000 0.000 -10.205) 10.205 16.046 ( 0.000 0.000 16.272) 16.272 16.493 ( 0.000 0.000 -20.325) 20.325 16.604 ( 0.000 0.000 -17.569) 17.569 17.385 ( 0.000 0.000 0.439) 0.439 17.420 ( 0.000 0.000 -3.619) 3.619 17.498 ( 0.000 0.000 4.030) 4.030 17.952 ( 0.000 0.000 -3.102) 3.102 18.098 ( 0.000 0.000 -29.219) 29.219 18.647 ( 0.000 0.000 5.840) 5.840 19.147 ( 0.000 0.000 25.742) 25.742 19.366 ( 0.000 0.000 -9.243) 9.243 20.230 ( 0.000 0.000 1.794) 1.794 20.398 ( 0.000 0.000 -3.838) 3.838 21.226 ( 0.000 0.000 -21.761) 21.761 21.527 ( 0.000 0.000 3.102) 3.102 21.547 ( 0.000 0.000 14.891) 14.891 21.776 ( 0.000 0.000 -1.348) 1.348 22.755 ( 0.000 0.000 -15.875) 15.875 ======================= Grid point 166 (56/108) ======================= q-point: ( 0.10 0.00 0.30) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( 12.643 0.000 25.691) 28.634 2.047 ( 9.011 0.000 27.411) 28.854 2.763 ( 2.519 0.000 1.267) 2.820 2.977 ( 4.653 0.000 13.968) 14.722 3.193 ( 1.570 0.000 -8.021) 8.173 3.483 ( 5.254 0.000 -3.932) 6.562 3.573 ( 7.349 0.000 33.083) 33.890 3.575 ( -2.800 0.000 -5.276) 5.973 3.707 ( -2.319 0.000 -3.329) 4.057 3.733 ( -0.961 0.000 -16.704) 16.732 3.935 ( -1.366 0.000 8.925) 9.029 4.239 ( -2.694 0.000 13.760) 14.021 4.353 ( -13.475 0.000 6.680) 15.040 4.812 ( -4.863 0.000 16.376) 17.083 5.023 ( -11.012 0.000 -10.457) 15.186 5.184 ( 7.662 0.000 14.701) 16.577 5.534 ( -19.649 0.000 -7.623) 21.076 5.703 ( 2.753 0.000 11.867) 12.183 5.782 ( 1.010 0.000 4.998) 5.099 5.968 ( -2.856 0.000 0.414) 2.886 6.251 ( 12.395 0.000 -4.016) 13.029 6.403 ( 4.864 0.000 -3.108) 5.772 6.669 ( 14.234 0.000 -4.670) 14.980 6.676 ( -1.710 0.000 -19.730) 19.804 7.001 ( -2.350 0.000 -8.701) 9.012 7.358 ( 5.690 0.000 -8.645) 10.350 7.421 ( 9.934 0.000 4.461) 10.890 8.427 ( 6.154 0.000 -16.549) 17.657 8.470 ( -1.429 0.000 20.861) 20.910 9.125 ( 1.486 0.000 5.306) 5.510 9.174 ( -10.685 0.000 0.879) 10.721 9.704 ( 3.348 0.000 -2.305) 4.065 10.220 ( 25.400 0.000 4.805) 25.850 10.365 ( 20.298 0.000 6.933) 21.450 10.628 ( 15.791 0.000 -1.663) 15.878 10.668 ( 19.567 0.000 1.423) 19.619 10.897 ( -2.077 0.000 21.065) 21.168 11.357 ( 11.479 0.000 2.137) 11.676 11.406 ( 5.484 0.000 14.992) 15.963 11.627 ( 17.742 0.000 3.714) 18.126 11.711 ( 4.251 0.000 11.063) 11.852 12.022 ( 2.225 0.000 12.107) 12.310 12.425 ( 5.240 0.000 16.166) 16.994 12.673 ( -7.174 0.000 1.041) 7.250 12.974 ( -2.081 0.000 3.919) 4.437 13.082 ( 1.613 0.000 26.172) 26.221 13.091 ( 6.793 0.000 -4.009) 7.888 13.429 ( 3.490 0.000 -5.616) 6.612 14.112 ( -8.977 0.000 11.351) 14.471 14.196 ( -2.239 0.000 -4.630) 5.143 14.238 ( 0.252 0.000 -1.437) 1.459 14.596 ( 3.042 0.000 -1.078) 3.227 15.192 ( -2.120 0.000 -14.213) 14.370 15.731 ( 4.375 0.000 -8.795) 9.823 15.992 ( -5.210 0.000 15.809) 16.645 16.464 ( -3.090 0.000 -21.268) 21.492 16.666 ( 6.066 0.000 -16.638) 17.709 17.246 ( -13.835 0.000 -3.040) 14.165 17.344 ( -4.321 0.000 0.947) 4.424 17.444 ( -5.327 0.000 3.832) 6.562 17.939 ( -4.353 0.000 -6.355) 7.703 18.100 ( -0.174 0.000 -22.973) 22.974 18.654 ( 0.398 0.000 2.306) 2.340 19.117 ( -1.767 0.000 26.420) 26.479 19.289 ( -7.661 0.000 -8.590) 11.510 20.196 ( -3.153 0.000 2.746) 4.182 20.416 ( 1.739 0.000 -4.066) 4.422 21.185 ( -3.728 0.000 -21.158) 21.484 21.398 ( -11.048 0.000 7.541) 13.376 21.500 ( -5.341 0.000 13.107) 14.153 21.780 ( 0.145 0.000 -2.635) 2.639 22.671 ( -8.194 0.000 -15.533) 17.561 ======================= Grid point 167 (57/108) ======================= q-point: ( 0.20 0.00 0.30) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( 15.529 0.000 18.530) 24.177 2.286 ( 14.254 0.000 23.981) 27.898 2.835 ( 4.388 0.000 0.635) 4.434 3.066 ( 3.814 0.000 10.289) 10.973 3.263 ( 5.485 0.000 -8.863) 10.423 3.497 ( -4.840 0.000 -3.382) 5.905 3.505 ( -4.622 0.000 -0.442) 4.643 3.616 ( -4.682 0.000 1.555) 4.933 3.708 ( -1.443 0.000 -13.615) 13.691 3.767 ( 7.070 0.000 15.627) 17.152 3.998 ( 7.201 0.000 -6.182) 9.490 4.066 ( -14.252 0.000 5.749) 15.368 4.224 ( 5.947 0.000 24.006) 24.732 4.668 ( -9.624 0.000 12.827) 16.036 4.792 ( -11.399 0.000 -15.440) 19.192 4.999 ( -23.323 0.000 -6.664) 24.256 5.449 ( 8.719 0.000 7.115) 11.254 5.723 ( -2.266 0.000 5.107) 5.587 5.813 ( 7.844 0.000 10.905) 13.433 6.063 ( 6.527 0.000 0.270) 6.533 6.430 ( 4.760 0.000 -3.359) 5.826 6.435 ( -2.622 0.000 -6.844) 7.329 6.635 ( -1.559 0.000 -14.027) 14.113 6.677 ( -8.248 0.000 -11.643) 14.268 7.241 ( 21.275 0.000 4.158) 21.677 7.515 ( 9.721 0.000 -4.653) 10.777 7.686 ( 16.191 0.000 8.225) 18.161 8.456 ( 0.007 0.000 16.244) 16.244 8.579 ( 7.837 0.000 -12.895) 15.090 8.961 ( -9.319 0.000 1.571) 9.451 9.123 ( -1.814 0.000 11.329) 11.474 9.742 ( 0.487 0.000 -0.687) 0.842 10.835 ( 21.266 0.000 5.226) 21.899 10.842 ( 30.247 0.000 4.516) 30.583 10.892 ( 3.265 0.000 21.013) 21.265 10.983 ( 20.673 0.000 0.125) 20.673 11.105 ( 21.523 0.000 9.259) 23.430 11.539 ( 7.665 0.000 16.330) 18.039 11.552 ( 5.615 0.000 6.856) 8.862 11.997 ( 25.294 0.000 12.476) 28.203 12.062 ( 12.386 0.000 17.520) 21.456 12.151 ( 23.121 0.000 1.725) 23.185 12.522 ( -7.009 0.000 2.627) 7.485 12.600 ( 13.394 0.000 6.509) 14.891 12.936 ( -0.027 0.000 7.347) 7.347 13.145 ( 5.020 0.000 8.646) 9.998 13.247 ( 8.414 0.000 -3.251) 9.020 13.517 ( 5.347 0.000 -5.915) 7.973 13.934 ( -7.627 0.000 9.905) 12.501 14.133 ( -3.502 0.000 4.874) 6.002 14.282 ( 4.473 0.000 -6.049) 7.523 14.616 ( -1.622 0.000 4.209) 4.511 15.158 ( -0.585 0.000 -17.573) 17.582 15.801 ( 0.565 0.000 -5.641) 5.670 15.863 ( -6.823 0.000 14.798) 16.295 16.371 ( -5.347 0.000 -22.550) 23.175 16.824 ( 8.725 0.000 -15.466) 17.758 16.987 ( -10.594 0.000 -4.264) 11.420 17.204 ( -9.482 0.000 2.962) 9.934 17.294 ( -9.507 0.000 2.662) 9.873 17.773 ( -11.899 0.000 -8.091) 14.390 18.017 ( -8.423 0.000 -12.722) 15.258 18.632 ( -3.583 0.000 -1.654) 3.946 19.063 ( -14.959 0.000 -7.074) 16.548 19.148 ( 6.070 0.000 21.278) 22.126 20.121 ( -3.981 0.000 4.909) 6.320 20.467 ( 3.370 0.000 -4.687) 5.773 21.097 ( -4.760 0.000 -19.644) 20.212 21.146 ( -13.082 0.000 11.511) 17.426 21.342 ( -10.191 0.000 11.721) 15.531 21.772 ( -1.066 0.000 -5.416) 5.520 22.449 ( -13.443 0.000 -14.947) 20.103 ======================= Grid point 168 (58/108) ======================= q-point: ( 0.30 0.00 0.30) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.533 ( 15.485 0.000 12.618) 19.975 2.580 ( 14.357 0.000 19.307) 24.060 2.924 ( 4.399 0.000 0.642) 4.445 3.143 ( 4.575 0.000 3.834) 5.969 3.345 ( -6.327 0.000 -0.923) 6.394 3.394 ( -1.228 0.000 -0.687) 1.407 3.394 ( -2.578 0.000 -0.131) 2.582 3.532 ( -0.378 0.000 -9.225) 9.233 3.671 ( -3.773 0.000 -5.102) 6.346 3.733 ( -8.826 0.000 2.722) 9.236 3.826 ( -7.746 0.000 -0.172) 7.748 4.182 ( 8.593 0.000 -13.309) 15.842 4.409 ( -17.619 0.000 -4.698) 18.235 4.503 ( 10.717 0.000 14.985) 18.423 4.553 ( -18.694 0.000 4.664) 19.267 4.668 ( 9.093 0.000 -6.060) 10.927 5.631 ( 9.075 0.000 5.262) 10.490 5.681 ( -4.223 0.000 -2.152) 4.740 5.994 ( 9.299 0.000 7.531) 11.966 6.134 ( -0.913 0.000 -0.625) 1.107 6.350 ( -2.866 0.000 1.728) 3.347 6.423 ( -3.918 0.000 -8.845) 9.675 6.491 ( -9.959 0.000 -6.007) 11.631 6.632 ( 0.084 0.000 -1.132) 1.135 7.675 ( 21.017 0.000 3.676) 21.336 7.730 ( 11.584 0.000 -0.255) 11.587 8.032 ( 17.669 0.000 11.271) 20.958 8.459 ( -0.078 0.000 11.436) 11.436 8.608 ( -6.887 0.000 0.348) 6.895 8.930 ( 7.940 0.000 -6.665) 10.367 9.053 ( -5.314 0.000 15.215) 16.116 9.713 ( -3.691 0.000 0.469) 3.721 10.958 ( 5.442 0.000 17.862) 18.672 11.200 ( 12.199 0.000 -2.164) 12.390 11.205 ( 14.308 0.000 13.436) 19.628 11.401 ( 6.435 0.000 8.362) 10.551 11.489 ( 21.092 0.000 13.559) 25.074 11.640 ( 4.171 0.000 6.305) 7.560 11.698 ( 7.591 0.000 14.038) 15.959 12.197 ( 6.062 0.000 23.478) 24.248 12.293 ( -4.607 0.000 8.650) 9.800 12.588 ( 6.569 0.000 12.109) 13.776 12.628 ( 21.388 0.000 8.273) 22.932 13.028 ( 30.031 0.000 -5.386) 30.510 13.229 ( 34.619 0.000 9.132) 35.803 13.282 ( 8.326 0.000 -5.046) 9.736 13.375 ( 3.335 0.000 9.645) 10.205 13.687 ( 13.416 0.000 -14.469) 19.732 13.846 ( -0.941 0.000 9.031) 9.080 14.092 ( 1.790 0.000 7.140) 7.361 14.429 ( 10.432 0.000 -5.960) 12.015 14.532 ( -6.197 0.000 6.775) 9.182 15.181 ( 2.818 0.000 -15.812) 16.061 15.683 ( -12.217 0.000 -4.716) 13.096 15.774 ( -0.293 0.000 12.298) 12.301 16.306 ( -1.512 0.000 -20.857) 20.912 16.808 ( -16.276 0.000 -5.373) 17.140 16.831 ( -5.736 0.000 -8.500) 10.254 17.053 ( -12.211 0.000 2.801) 12.528 17.164 ( 8.528 0.000 -6.120) 10.496 17.447 ( -21.224 0.000 -3.371) 21.490 17.851 ( -5.486 0.000 -9.992) 11.399 18.502 ( -9.227 0.000 -2.630) 9.595 18.704 ( -20.721 0.000 -5.674) 21.484 19.346 ( 12.782 0.000 12.593) 17.943 20.050 ( -3.027 0.000 7.169) 7.782 20.550 ( 5.020 0.000 -5.593) 7.516 20.906 ( -10.595 0.000 12.956) 16.736 21.004 ( -4.573 0.000 -16.788) 17.400 21.108 ( -12.884 0.000 9.651) 16.098 21.741 ( -1.814 0.000 -8.728) 8.915 22.166 ( -14.170 0.000 -14.880) 20.547 ======================= Grid point 169 (59/108) ======================= q-point: ( 0.40 0.00 0.30) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.830 ( 10.534 0.000 13.615) 17.214 2.831 ( 14.005 0.000 8.593) 16.431 3.018 ( 4.853 0.000 1.202) 4.999 3.197 ( -1.696 0.000 -1.160) 2.055 3.198 ( -6.506 0.000 2.040) 6.818 3.341 ( -3.639 0.000 -2.392) 4.355 3.358 ( 1.372 0.000 7.367) 7.493 3.520 ( -11.188 0.000 0.896) 11.224 3.525 ( -5.158 0.000 -1.570) 5.392 3.680 ( 11.317 0.000 -17.215) 20.602 3.826 ( 5.498 0.000 -2.888) 6.211 4.017 ( -19.206 0.000 -14.533) 24.085 4.145 ( -9.558 0.000 -20.882) 22.965 4.248 ( -13.717 0.000 11.428) 17.854 4.736 ( 17.445 0.000 -5.302) 18.232 5.098 ( 23.407 0.000 8.633) 24.949 5.501 ( -12.534 0.000 -10.325) 16.239 5.812 ( 9.243 0.000 1.201) 9.321 5.997 ( -13.422 0.000 -0.491) 13.431 6.108 ( -0.516 0.000 -0.906) 1.042 6.338 ( -2.034 0.000 3.373) 3.939 6.343 ( -0.841 0.000 9.748) 9.785 6.375 ( 2.014 0.000 -0.354) 2.045 6.596 ( -3.890 0.000 3.456) 5.203 7.966 ( 11.961 0.000 2.972) 12.325 8.046 ( 15.688 0.000 2.340) 15.861 8.340 ( 9.080 0.000 10.958) 14.232 8.420 ( -10.587 0.000 4.205) 11.391 8.460 ( 3.694 0.000 10.473) 11.105 8.909 ( -9.243 0.000 17.156) 19.487 9.149 ( 12.299 0.000 -5.715) 13.562 9.592 ( -8.395 0.000 0.002) 8.395 11.094 ( 7.943 0.000 17.070) 18.828 11.380 ( -2.279 0.000 21.921) 22.039 11.413 ( 9.584 0.000 -0.807) 9.618 11.474 ( 8.788 0.000 2.768) 9.214 11.664 ( -0.830 0.000 4.198) 4.279 11.767 ( -1.692 0.000 14.699) 14.796 11.799 ( 10.470 0.000 15.323) 18.558 12.153 ( -7.909 0.000 8.604) 11.687 12.335 ( 7.937 0.000 18.248) 19.900 12.584 ( -3.272 0.000 18.099) 18.392 12.987 ( 14.001 0.000 3.897) 14.534 13.314 ( -2.839 0.000 9.121) 9.553 13.452 ( 8.361 0.000 -1.058) 8.428 13.686 ( 2.466 0.000 18.538) 18.701 13.694 ( 23.490 0.000 -2.313) 23.604 13.865 ( 2.666 0.000 2.423) 3.603 14.022 ( 17.259 0.000 -8.113) 19.071 14.410 ( -5.070 0.000 5.972) 7.834 14.520 ( 40.414 0.000 3.444) 40.561 14.706 ( 19.703 0.000 -12.954) 23.580 15.292 ( 10.666 0.000 -6.225) 12.349 15.379 ( -16.680 0.000 -3.334) 17.010 15.895 ( 10.669 0.000 7.386) 12.976 16.178 ( -16.881 0.000 -16.513) 23.615 16.360 ( -24.663 0.000 -1.149) 24.690 16.742 ( -18.203 0.000 0.316) 18.206 16.747 ( -2.119 0.000 -10.830) 11.035 17.005 ( -18.905 0.000 -2.391) 19.055 17.441 ( 16.835 0.000 -7.784) 18.548 17.846 ( 4.975 0.000 -9.643) 10.851 18.262 ( -23.002 0.000 -5.347) 23.616 18.278 ( -12.768 0.000 -5.166) 13.773 19.621 ( 13.984 0.000 8.537) 16.384 19.989 ( -3.761 0.000 8.500) 9.295 20.664 ( 6.330 0.000 -6.801) 9.291 20.739 ( -5.646 0.000 12.312) 13.545 20.858 ( -11.271 0.000 8.648) 14.206 20.909 ( -5.184 0.000 -12.637) 13.659 21.717 ( -0.030 0.000 -12.155) 12.155 21.914 ( -10.572 0.000 -15.247) 18.554 ======================= Grid point 170 (60/108) ======================= q-point: (-0.50 0.00 0.30) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.006 ( -6.860 0.000 7.531) 10.187 3.006 ( 6.860 0.000 7.531) 10.187 3.064 ( -8.636 0.000 4.951) 9.955 3.064 ( 8.636 0.000 4.951) 9.955 3.239 ( -7.941 0.000 1.862) 8.157 3.239 ( 7.941 0.000 1.862) 8.157 3.341 ( -5.005 0.000 -1.919) 5.360 3.341 ( 5.005 0.000 -1.919) 5.360 3.677 ( -14.585 0.000 -8.382) 16.822 3.677 ( 14.585 0.000 -8.382) 16.822 3.919 ( -12.221 0.000 -19.656) 23.145 3.919 ( 12.221 0.000 -19.656) 23.145 3.997 ( -11.040 0.000 4.757) 12.021 3.997 ( 11.040 0.000 4.757) 12.021 5.106 ( -17.980 0.000 -9.300) 20.243 5.106 ( 17.980 0.000 -9.300) 20.243 5.632 ( -21.361 0.000 2.221) 21.476 5.632 ( 21.361 0.000 2.221) 21.476 5.994 ( -8.574 0.000 -2.890) 9.048 5.994 ( 8.574 0.000 -2.890) 9.048 6.334 ( -0.905 0.000 9.338) 9.382 6.334 ( 0.905 0.000 9.338) 9.382 6.486 ( -6.740 0.000 4.699) 8.216 6.486 ( 6.740 0.000 4.699) 8.216 8.200 ( -11.428 0.000 4.437) 12.260 8.200 ( 11.428 0.000 4.437) 12.260 8.288 ( -8.508 0.000 3.148) 9.072 8.288 ( 8.508 0.000 3.148) 9.072 8.687 ( -12.768 0.000 17.123) 21.359 8.687 ( 12.768 0.000 17.123) 21.359 9.390 ( -11.496 0.000 -2.381) 11.740 9.390 ( 11.496 0.000 -2.381) 11.740 11.258 ( -7.976 0.000 16.243) 18.096 11.258 ( 7.976 0.000 16.243) 18.096 11.580 ( -6.887 0.000 1.801) 7.118 11.580 ( 6.887 0.000 1.801) 7.118 11.657 ( -8.185 0.000 12.258) 14.740 11.657 ( 8.185 0.000 12.258) 14.740 11.987 ( -8.741 0.000 11.517) 14.459 11.987 ( 8.741 0.000 11.517) 14.459 12.486 ( -6.569 0.000 17.074) 18.294 12.486 ( 6.569 0.000 17.074) 18.294 13.202 ( -8.029 0.000 7.237) 10.809 13.202 ( 8.029 0.000 7.237) 10.809 13.606 ( -6.931 0.000 11.152) 13.131 13.606 ( 6.931 0.000 11.152) 13.131 13.902 ( -1.074 0.000 -0.305) 1.117 13.902 ( 1.074 0.000 -0.305) 1.117 14.299 ( -8.831 0.000 -2.876) 9.288 14.299 ( 8.831 0.000 -2.876) 9.288 14.991 ( -16.434 0.000 -5.267) 17.257 14.991 ( 16.434 0.000 -5.267) 17.257 15.546 ( -42.318 0.000 -6.380) 42.797 15.546 ( 42.318 0.000 -6.380) 42.797 15.685 ( -26.646 0.000 2.849) 26.797 15.685 ( 26.646 0.000 2.849) 26.797 16.352 ( -19.325 0.000 -0.446) 19.330 16.352 ( 19.325 0.000 -0.446) 19.330 16.779 ( -5.481 0.000 -9.373) 10.857 16.779 ( 5.481 0.000 -9.373) 10.857 17.818 ( -20.955 0.000 -6.411) 21.914 17.818 ( 20.955 0.000 -6.411) 21.914 18.024 ( -11.863 0.000 -7.906) 14.256 18.024 ( 11.863 0.000 -7.906) 14.256 19.864 ( -9.506 0.000 8.132) 12.509 19.864 ( 9.506 0.000 8.132) 12.509 20.707 ( -2.993 0.000 10.165) 10.597 20.707 ( 2.993 0.000 10.165) 10.597 20.793 ( -6.358 0.000 -8.917) 10.952 20.793 ( 6.358 0.000 -8.917) 10.952 21.760 ( -4.766 0.000 -14.647) 15.403 21.760 ( 4.766 0.000 -14.647) 15.403 ======================= Grid point 176 (61/108) ======================= q-point: ( 0.00 0.20 0.30) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( 0.000 9.246 28.035) 29.520 2.012 ( 0.000 5.340 25.428) 25.983 2.629 ( 0.000 -8.967 4.478) 10.023 2.807 ( 0.000 -10.363 17.460) 20.304 3.236 ( 0.000 3.825 -8.443) 9.269 3.396 ( 0.000 -1.787 -4.868) 5.185 3.597 ( 0.000 8.895 29.507) 30.819 3.696 ( 0.000 7.008 -6.642) 9.655 3.713 ( 0.000 2.216 -5.541) 5.968 3.844 ( 0.000 7.197 -14.633) 16.307 4.014 ( 0.000 3.880 8.395) 9.248 4.214 ( 0.000 -3.797 14.187) 14.687 4.530 ( 0.000 0.389 2.376) 2.408 4.789 ( 0.000 -5.952 13.169) 14.452 5.012 ( 0.000 -6.124 16.799) 17.880 5.175 ( 0.000 1.726 3.238) 3.669 5.337 ( 0.000 -20.134 18.377) 27.259 5.540 ( 0.000 -12.603 8.953) 15.459 6.021 ( 0.000 3.770 -11.583) 12.181 6.154 ( 0.000 13.629 -2.649) 13.884 6.282 ( 0.000 9.423 0.038) 9.423 6.409 ( 0.000 8.085 -0.240) 8.088 6.422 ( 0.000 0.516 -10.375) 10.388 6.697 ( 0.000 0.648 -18.595) 18.606 7.011 ( 0.000 -3.924 -12.906) 13.489 7.263 ( 0.000 -4.579 4.175) 6.196 7.528 ( 0.000 18.189 -13.968) 22.934 8.298 ( 0.000 -4.994 -11.829) 12.840 8.571 ( 0.000 6.087 16.523) 17.609 9.004 ( 0.000 -7.165 4.649) 8.541 9.373 ( 0.000 4.071 -1.610) 4.378 9.576 ( 0.000 -4.632 -1.254) 4.799 9.980 ( 0.000 1.920 5.248) 5.588 10.147 ( 0.000 -0.986 7.691) 7.754 10.469 ( 0.000 1.948 -0.999) 2.190 10.518 ( 0.000 4.153 -3.415) 5.377 11.083 ( 0.000 15.641 21.283) 26.413 11.257 ( 0.000 1.515 2.644) 3.047 11.340 ( 0.000 2.289 0.339) 2.314 11.406 ( 0.000 -3.682 16.240) 16.652 11.691 ( 0.000 -0.239 10.504) 10.507 12.033 ( 0.000 1.807 10.313) 10.470 12.414 ( 0.000 4.267 17.002) 17.529 12.657 ( 0.000 -8.811 1.434) 8.927 12.848 ( 0.000 -14.324 1.228) 14.377 13.034 ( 0.000 -5.665 26.102) 26.710 13.093 ( 0.000 8.340 3.223) 8.941 13.357 ( 0.000 -1.406 -3.441) 3.717 14.114 ( 0.000 -3.815 9.343) 10.092 14.200 ( 0.000 -1.646 -11.511) 11.628 14.397 ( 0.000 7.857 7.604) 10.934 14.560 ( 0.000 1.190 -4.589) 4.741 15.186 ( 0.000 -2.721 -8.835) 9.244 15.454 ( 0.000 -14.453 0.199) 14.454 16.279 ( 0.000 12.992 2.865) 13.304 16.494 ( 0.000 -0.014 -19.363) 19.363 16.685 ( 0.000 9.437 -14.288) 17.123 17.323 ( 0.000 -5.429 0.212) 5.433 17.459 ( 0.000 3.818 -6.402) 7.454 17.494 ( 0.000 0.852 3.992) 4.082 17.945 ( 0.000 -4.193 -7.692) 8.761 18.129 ( 0.000 6.479 -24.680) 25.516 18.450 ( 0.000 -18.156 4.331) 18.666 19.158 ( 0.000 -18.490 -10.024) 21.032 19.223 ( 0.000 7.112 25.215) 26.198 19.941 ( 0.000 -16.165 9.929) 18.971 20.674 ( 0.000 15.482 -7.129) 17.044 21.206 ( 0.000 -2.252 -19.883) 20.010 21.402 ( 0.000 -2.979 10.573) 10.985 21.533 ( 0.000 -1.424 14.404) 14.474 22.113 ( 0.000 20.850 -11.612) 23.866 22.733 ( 0.000 -2.270 -16.148) 16.307 ======================= Grid point 177 (62/108) ======================= q-point: ( 0.10 0.20 0.30) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( 11.378 7.955 24.442) 28.110 2.099 ( 8.286 4.760 24.446) 26.248 2.657 ( 2.914 -8.627 3.935) 9.920 2.858 ( 4.340 -10.447 16.087) 19.666 3.263 ( 2.795 4.657 -8.508) 10.094 3.457 ( 4.656 -2.375 -5.884) 7.870 3.592 ( -1.392 4.098 13.969) 14.624 3.680 ( -1.407 2.430 -7.825) 8.313 3.712 ( 0.004 7.776 5.777) 9.687 3.845 ( 0.961 7.489 -11.519) 13.773 3.990 ( -1.354 4.516 7.837) 9.146 4.181 ( -3.637 -3.428 14.117) 14.976 4.396 ( -10.081 2.847 7.733) 13.020 4.720 ( -6.328 -6.880 8.501) 12.635 4.985 ( -5.896 -3.275 2.565) 7.216 5.216 ( 6.555 -2.822 12.401) 14.308 5.296 ( -5.931 -12.531 12.850) 18.903 5.512 ( -3.180 -11.824 6.806) 14.009 5.997 ( 2.983 7.264 -6.769) 10.367 6.053 ( -10.415 10.676 -0.384) 14.920 6.320 ( 8.019 3.812 -2.642) 9.264 6.395 ( 3.584 0.535 -7.371) 8.214 6.668 ( 1.088 -0.203 -16.809) 16.845 6.725 ( 7.094 3.317 -8.988) 11.921 6.979 ( 3.100 0.333 -3.509) 4.694 7.377 ( 9.981 -4.351 4.336) 11.720 7.572 ( 4.666 17.611 -11.528) 21.559 8.351 ( 4.965 -5.111 -8.613) 11.178 8.562 ( -0.356 6.262 12.230) 13.744 9.012 ( 0.071 -7.172 7.525) 10.395 9.266 ( -8.504 5.220 0.552) 9.994 9.626 ( 2.777 -6.305 -1.308) 7.013 10.242 ( 25.321 2.189 5.571) 26.018 10.382 ( 22.355 0.583 7.505) 23.588 10.629 ( 15.192 1.755 -0.084) 15.293 10.727 ( 16.262 1.970 0.002) 16.381 11.050 ( -0.427 15.996 17.425) 23.658 11.323 ( 5.768 -1.307 8.291) 10.185 11.476 ( 11.874 4.502 8.803) 15.452 11.546 ( 12.872 -5.095 5.631) 14.946 11.735 ( 6.677 0.534 9.273) 11.439 12.036 ( 0.524 0.275 10.290) 10.307 12.464 ( 5.035 3.912 14.662) 15.988 12.582 ( -5.662 -7.377 3.016) 9.777 12.931 ( 6.726 -13.271 0.494) 14.886 13.059 ( 2.290 -5.487 22.638) 23.405 13.084 ( -0.620 9.237 2.323) 9.544 13.389 ( 3.111 -1.843 -3.392) 4.958 14.032 ( -6.876 -2.787 8.658) 11.403 14.196 ( -0.321 -2.488 -11.414) 11.686 14.358 ( -2.805 8.787 6.949) 11.549 14.610 ( 3.350 1.097 -0.667) 3.587 15.156 ( -2.621 -3.057 -10.100) 10.873 15.478 ( 1.625 -15.335 2.083) 15.561 16.246 ( -2.897 14.016 2.127) 14.470 16.470 ( -2.628 0.500 -20.055) 20.232 16.732 ( 4.596 7.431 -14.511) 16.938 17.230 ( -10.868 -1.810 -1.507) 11.121 17.327 ( -6.812 -1.853 -0.562) 7.082 17.480 ( -3.948 5.416 0.130) 6.703 17.881 ( -6.699 -6.935 -11.062) 14.674 18.123 ( -1.547 2.621 -14.395) 14.713 18.491 ( 2.972 -13.794 -2.447) 14.321 19.046 ( -8.397 -13.396 0.076) 15.810 19.249 ( 0.687 4.010 16.533) 17.026 19.942 ( 0.056 -15.511 9.783) 18.338 20.653 ( -1.972 14.175 -6.570) 15.747 21.121 ( -7.174 -3.398 -11.225) 13.748 21.407 ( -0.677 0.637 1.962) 2.171 21.485 ( -4.666 -0.823 13.354) 14.169 22.031 ( -7.211 18.298 -9.401) 21.799 22.646 ( -8.466 -2.569 -15.657) 17.984 ======================= Grid point 178 (63/108) ======================= q-point: ( 0.20 0.20 0.30) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( 14.376 5.624 17.771) 23.539 2.317 ( 13.015 2.981 21.853) 25.609 2.742 ( 5.257 -7.662 2.639) 9.660 2.947 ( 4.314 -9.904 12.316) 16.383 3.341 ( 4.468 5.097 -7.985) 10.474 3.470 ( -3.731 -1.379 -3.153) 5.076 3.539 ( -4.121 1.705 1.411) 4.678 3.647 ( -6.321 2.041 3.596) 7.553 3.685 ( 1.488 3.022 -11.448) 11.934 3.898 ( 0.398 5.420 -2.101) 5.826 4.009 ( 3.764 -0.121 -6.357) 7.389 4.039 ( -9.984 0.383 6.879) 12.130 4.319 ( 7.581 9.458 27.469) 30.024 4.559 ( -9.425 -6.825 2.873) 11.986 4.820 ( -9.740 0.653 -3.999) 10.549 5.021 ( -19.723 0.523 -3.444) 20.028 5.369 ( 7.041 -6.976 7.690) 12.545 5.527 ( 5.047 -13.176 13.342) 19.418 5.947 ( -0.612 7.501 -0.107) 7.526 6.105 ( 5.994 4.008 -0.118) 7.212 6.411 ( 0.253 -2.062 -4.872) 5.297 6.450 ( 0.267 0.601 -7.771) 7.799 6.630 ( -2.234 0.815 -10.224) 10.497 6.698 ( -5.330 1.124 -11.180) 12.436 7.269 ( 19.997 3.807 4.795) 20.914 7.633 ( 14.958 -1.852 5.106) 15.914 7.722 ( 10.567 14.233 -3.845) 18.139 8.462 ( 4.588 -1.231 5.779) 7.480 8.586 ( 3.755 2.039 -2.393) 4.898 8.975 ( -4.442 -1.204 7.182) 8.530 9.102 ( -6.627 0.907 6.718) 9.479 9.654 ( -0.253 -8.065 -0.212) 8.072 10.839 ( 26.664 2.190 6.946) 27.641 10.878 ( 16.283 2.836 7.233) 18.041 10.985 ( 18.614 4.192 10.991) 22.019 11.010 ( 20.540 1.529 2.555) 20.755 11.170 ( 12.079 9.229 11.457) 19.035 11.464 ( 8.365 -1.433 11.082) 13.959 11.678 ( 5.789 6.117 12.396) 14.986 11.899 ( 22.234 -7.272 8.454) 24.874 12.014 ( 11.376 -4.946 15.315) 19.709 12.170 ( 24.085 0.561 2.837) 24.258 12.465 ( -4.907 -3.997 5.603) 8.453 12.634 ( 12.363 3.294 4.961) 13.723 13.048 ( 1.352 6.044 14.370) 15.648 13.114 ( 8.612 -11.422 1.469) 14.381 13.143 ( 6.052 0.847 0.251) 6.116 13.478 ( 5.912 -2.167 -4.271) 7.609 13.894 ( -5.911 -0.785 7.996) 9.974 14.195 ( -0.159 -2.032 -10.768) 10.959 14.319 ( 0.118 8.216 9.253) 12.375 14.649 ( -0.015 2.430 4.194) 4.847 15.105 ( -1.800 -4.402 -13.088) 13.925 15.482 ( -1.715 -16.674 6.323) 17.915 16.174 ( -4.884 15.307 -0.567) 16.078 16.384 ( -5.338 1.280 -20.243) 20.974 16.847 ( 5.726 2.690 -14.430) 15.756 16.993 ( -10.397 1.092 -3.551) 11.041 17.184 ( -7.945 -5.038 -0.050) 9.408 17.347 ( -9.002 8.507 -0.319) 12.390 17.697 ( -11.278 -8.116 -10.213) 17.245 18.018 ( -9.186 0.061 -6.552) 11.284 18.509 ( -2.320 -10.243 -6.324) 12.260 18.848 ( -11.960 -14.580 -3.223) 19.132 19.283 ( 4.293 8.082 17.748) 19.969 19.946 ( 0.521 -12.686 9.674) 15.962 20.606 ( -2.521 9.574 -4.787) 10.997 20.958 ( -8.718 -4.140 -2.206) 9.900 21.351 ( -4.821 7.847 -5.769) 10.867 21.355 ( -8.016 1.464 9.509) 12.523 21.878 ( -7.259 10.309 -7.040) 14.441 22.418 ( -13.720 -3.123 -14.776) 20.404 ======================= Grid point 179 (64/108) ======================= q-point: ( 0.30 0.20 0.30) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.565 ( 13.759 2.933 13.291) 19.354 2.596 ( 14.434 1.659 16.415) 21.921 2.850 ( 5.354 -5.962 2.622) 8.431 3.051 ( 6.797 -7.750 5.863) 11.859 3.358 ( -4.710 -1.164 -0.170) 4.855 3.381 ( -5.021 3.453 -1.664) 6.317 3.459 ( -3.049 4.775 -0.310) 5.674 3.524 ( -4.218 -4.872 -0.988) 6.520 3.712 ( 0.671 5.081 -8.226) 9.692 3.796 ( -7.057 -1.472 -1.712) 7.410 3.804 ( -9.191 6.526 -3.787) 11.891 4.157 ( 2.413 -2.115 -14.481) 14.832 4.371 ( -7.140 -6.572 3.499) 10.316 4.604 ( -17.280 10.734 -13.642) 24.493 4.627 ( -0.835 5.313 6.066) 8.107 4.671 ( 14.873 3.077 13.691) 20.448 5.451 ( 0.196 -12.158 -3.715) 12.714 5.675 ( 8.615 -8.541 12.806) 17.639 5.972 ( 1.454 2.888 0.910) 3.359 6.200 ( 3.184 4.362 2.015) 5.764 6.351 ( -4.450 -0.661 0.506) 4.527 6.404 ( -3.766 -1.130 -8.041) 8.951 6.535 ( -7.040 3.629 -5.149) 9.446 6.648 ( -0.589 1.107 -1.823) 2.212 7.665 ( 18.836 2.517 5.034) 19.659 7.914 ( 13.237 11.572 -1.574) 17.653 8.008 ( 16.994 -0.301 10.375) 19.913 8.501 ( -0.048 3.981 11.692) 12.351 8.663 ( -0.892 3.295 -2.019) 3.966 8.902 ( 1.937 -1.376 -1.839) 3.005 8.997 ( -5.199 -4.620 13.217) 14.936 9.609 ( -4.308 -9.767 0.724) 10.699 11.009 ( 5.390 4.501 14.657) 16.252 11.198 ( 13.251 1.212 2.410) 13.523 11.291 ( 9.290 6.803 11.995) 16.628 11.406 ( 8.278 0.030 4.644) 9.491 11.481 ( 16.621 -2.113 9.490) 19.256 11.648 ( 9.074 4.978 14.244) 17.607 11.791 ( 5.891 5.942 12.998) 15.459 12.048 ( 3.642 -11.489 14.056) 18.516 12.323 ( 0.159 0.976 16.118) 16.149 12.510 ( 15.972 -3.735 8.929) 18.676 12.715 ( 18.186 3.613 12.570) 22.401 12.988 ( 19.908 -5.547 -3.735) 21.001 13.208 ( 16.085 -2.960 7.976) 18.197 13.310 ( 22.425 3.492 9.648) 24.661 13.368 ( 12.543 1.798 -6.403) 14.197 13.663 ( 14.942 -2.397 -8.145) 17.186 13.825 ( -0.828 0.489 4.787) 4.882 14.184 ( 0.603 3.410 -3.532) 4.946 14.395 ( 6.630 2.351 6.678) 9.700 14.615 ( -2.033 4.879 4.594) 7.003 15.099 ( 0.968 -7.077 -12.846) 14.699 15.421 ( -3.699 -15.354 7.965) 17.688 16.036 ( -7.059 14.848 -4.794) 17.126 16.300 ( -3.952 0.034 -15.397) 15.896 16.798 ( -14.045 -1.335 -6.383) 15.485 16.840 ( -5.723 1.285 -8.126) 10.022 17.064 ( -8.166 -1.898 -5.517) 10.036 17.204 ( 1.039 5.694 -4.586) 7.385 17.426 ( -15.931 -2.246 -4.840) 16.801 17.818 ( -8.022 -2.223 -5.423) 9.935 18.392 ( -8.999 -9.582 -4.661) 13.947 18.550 ( -17.795 -12.533 -5.425) 22.431 19.443 ( 11.210 7.813 13.361) 19.111 19.965 ( 1.352 -7.304 9.920) 12.393 20.555 ( -2.806 1.037 -0.984) 3.149 20.783 ( -8.739 -4.915 3.934) 10.771 21.181 ( -8.512 6.959 4.654) 11.939 21.245 ( -5.395 12.886 -10.381) 17.405 21.756 ( -4.907 2.063 -8.194) 9.771 22.131 ( -14.376 -3.538 -14.501) 20.723 ======================= Grid point 180 (65/108) ======================= q-point: ( 0.40 0.20 0.30) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.811 ( 10.670 -0.338 11.662) 15.811 2.871 ( 12.551 2.177 9.449) 15.861 2.964 ( 6.393 -3.677 2.193) 7.694 3.165 ( -0.307 -3.132 1.031) 3.312 3.241 ( -5.670 1.950 1.769) 6.251 3.336 ( 2.305 -0.156 5.763) 6.209 3.362 ( -3.364 2.107 -2.670) 4.784 3.455 ( -3.284 -2.980 -1.923) 4.834 3.546 ( -9.949 1.220 1.403) 10.121 3.728 ( 1.943 -3.328 -4.179) 5.685 3.889 ( 10.020 11.768 -17.083) 23.038 3.956 ( -16.282 -2.914 -14.055) 21.706 4.154 ( -15.331 -6.705 7.895) 18.502 4.341 ( -10.971 13.794 -18.854) 25.810 4.734 ( 14.836 -3.946 -13.393) 20.373 5.132 ( 22.177 6.135 15.311) 27.638 5.356 ( -8.342 -13.261 -12.712) 20.175 5.819 ( 2.733 0.856 5.921) 6.577 5.955 ( -2.457 -4.566 6.550) 8.354 6.176 ( -6.035 4.952 -1.263) 7.908 6.315 ( 1.107 -0.844 6.589) 6.734 6.329 ( -2.314 1.004 0.123) 2.525 6.452 ( -0.107 4.096 1.394) 4.328 6.608 ( -3.616 0.490 2.687) 4.532 7.999 ( 14.699 3.821 5.027) 15.998 8.174 ( 12.403 11.141 0.503) 16.680 8.326 ( 12.277 -1.327 12.628) 17.662 8.472 ( -1.681 2.317 9.408) 9.834 8.540 ( -7.999 10.401 3.602) 13.606 8.858 ( -8.596 -4.760 16.054) 18.822 9.067 ( 10.953 -7.902 -4.901) 14.368 9.483 ( -8.282 -10.388 0.298) 13.289 11.137 ( 7.395 4.025 14.546) 16.806 11.380 ( 0.531 1.303 10.684) 10.776 11.429 ( 7.462 -0.478 6.266) 9.756 11.513 ( 5.552 2.879 2.264) 6.652 11.621 ( 1.665 -1.399 7.660) 7.963 11.815 ( 2.625 2.868 17.383) 17.813 11.840 ( 2.637 3.576 12.127) 12.916 12.068 ( -3.002 -7.388 10.202) 12.949 12.377 ( 7.161 4.481 18.230) 20.092 12.622 ( -1.830 3.722 19.046) 19.492 12.982 ( 10.063 -1.270 8.443) 13.197 13.137 ( 0.735 -12.889 11.017) 16.972 13.562 ( 8.255 6.183 -1.434) 10.413 13.670 ( 13.415 0.425 2.897) 13.731 13.751 ( 14.691 3.291 6.004) 16.209 13.862 ( 4.668 -0.627 -0.632) 4.752 14.057 ( 15.917 4.179 -2.510) 16.647 14.351 ( 8.021 -3.709 -3.260) 9.419 14.602 ( 26.794 6.525 7.759) 28.647 14.690 ( 11.631 -2.203 -8.155) 14.375 15.137 ( 1.893 -10.518 -5.636) 12.082 15.362 ( 1.354 -5.007 4.225) 6.690 16.001 ( -0.682 8.033 1.202) 8.151 16.147 ( -8.151 -0.481 -13.130) 15.462 16.367 ( -28.169 0.474 -3.269) 28.362 16.724 ( -10.127 2.473 -7.495) 12.840 16.836 ( -8.834 3.634 -8.635) 12.876 17.020 ( -15.571 -0.183 -5.959) 16.674 17.435 ( 13.392 0.622 -5.782) 14.600 17.773 ( 3.406 -6.282 -7.615) 10.443 18.148 ( -18.159 -9.062 -3.414) 20.580 18.187 ( -14.529 -8.959 -7.453) 18.625 19.695 ( 13.210 6.572 9.681) 17.647 19.988 ( 0.148 -0.165 9.997) 10.000 20.491 ( -3.135 -8.295 4.585) 9.983 20.609 ( -8.616 -8.353 6.731) 13.759 21.061 ( -2.655 14.053 -2.156) 14.463 21.147 ( -4.445 14.861 -9.707) 18.298 21.690 ( -1.325 -2.576 -11.502) 11.861 21.874 ( -10.770 -3.929 -14.849) 18.760 ======================= Grid point 181 (66/108) ======================= q-point: (-0.50 0.20 0.30) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.980 ( -4.714 -1.069 8.194) 9.513 2.980 ( 4.714 -1.069 8.194) 9.513 3.102 ( -7.352 -1.992 2.849) 8.133 3.102 ( 7.352 -1.992 2.849) 8.133 3.195 ( -7.699 2.975 3.433) 8.939 3.195 ( 7.699 2.975 3.433) 8.939 3.408 ( -2.606 3.773 -1.749) 4.908 3.408 ( 2.606 3.773 -1.749) 4.908 3.622 ( -15.825 -3.465 -8.274) 18.191 3.622 ( 15.825 -3.465 -8.274) 18.191 3.874 ( -11.427 -7.922 2.408) 14.112 3.874 ( 11.427 -7.922 2.408) 14.112 4.114 ( -11.558 13.309 -18.968) 25.894 4.114 ( 11.558 13.309 -18.968) 25.894 5.059 ( -16.008 -7.286 -14.803) 22.989 5.059 ( 16.008 -7.286 -14.803) 22.989 5.600 ( -19.336 1.317 7.565) 20.805 5.600 ( 19.336 1.317 7.565) 20.805 6.039 ( -7.244 0.724 3.117) 7.919 6.039 ( 7.244 0.724 3.117) 7.919 6.321 ( -0.852 0.974 5.338) 5.493 6.321 ( 0.852 0.974 5.338) 5.493 6.515 ( -5.076 1.446 4.209) 6.751 6.515 ( 5.076 1.446 4.209) 6.751 8.257 ( -11.108 4.955 5.898) 13.518 8.257 ( 11.108 4.955 5.898) 13.518 8.386 ( -8.436 9.787 2.491) 13.159 8.386 ( 8.436 9.787 2.491) 13.159 8.648 ( -12.229 -3.669 15.888) 20.382 8.648 ( 12.229 -3.669 15.888) 20.382 9.289 ( -10.816 -9.711 -1.836) 14.652 9.289 ( 10.816 -9.711 -1.836) 14.652 11.288 ( -7.163 2.935 13.901) 15.911 11.288 ( 7.163 2.935 13.901) 15.911 11.550 ( -3.574 -2.793 1.264) 4.709 11.550 ( 3.574 -2.793 1.264) 4.709 11.707 ( -7.475 4.223 11.894) 14.669 11.707 ( 7.475 4.223 11.894) 14.669 11.970 ( -6.071 -1.732 12.663) 14.149 11.970 ( 6.071 -1.732 12.663) 14.149 12.530 ( -6.802 4.608 18.703) 20.428 12.530 ( 6.802 4.608 18.703) 20.428 13.111 ( -3.403 -8.006 12.388) 15.138 13.111 ( 3.403 -8.006 12.388) 15.138 13.689 ( -4.220 6.436 5.435) 9.421 13.689 ( 4.220 6.436 5.435) 9.421 13.911 ( -0.731 0.523 -0.667) 1.119 13.911 ( 0.731 0.523 -0.667) 1.119 14.311 ( -8.409 2.219 -1.715) 8.865 14.311 ( 8.409 2.219 -1.715) 8.865 14.913 ( -10.633 -8.152 -7.045) 15.138 14.913 ( 10.633 -8.152 -7.045) 15.138 15.481 ( -30.521 -1.444 0.138) 30.555 15.481 ( 30.521 -1.444 0.138) 30.555 15.751 ( -24.331 0.800 2.013) 24.427 15.751 ( 24.331 0.800 2.013) 24.427 16.377 ( -19.363 5.004 -5.281) 20.684 16.377 ( 19.363 5.004 -5.281) 20.684 16.827 ( -4.777 2.911 -10.705) 12.079 16.827 ( 4.777 2.911 -10.705) 12.079 17.751 ( -17.272 -5.462 -5.761) 19.009 17.751 ( 17.272 -5.462 -5.761) 19.009 17.941 ( -10.054 -7.592 -7.368) 14.595 17.941 ( 10.054 -7.592 -7.368) 14.595 19.920 ( -7.941 5.452 9.115) 13.261 19.920 ( 7.941 5.452 9.115) 13.261 20.479 ( -3.152 -11.671 7.317) 14.132 20.479 ( 3.152 -11.671 7.317) 14.132 21.071 ( -2.848 15.874 -6.674) 17.454 21.071 ( 2.848 15.874 -6.674) 17.454 21.719 ( -4.581 -4.088 -14.272) 15.537 21.719 ( 4.581 -4.088 -14.272) 15.537 ======================= Grid point 187 (67/108) ======================= q-point: ( 0.00 0.40 0.30) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( 0.000 10.524 22.288) 24.648 2.139 ( 0.000 6.040 18.620) 19.575 2.456 ( 0.000 -5.675 13.643) 14.776 2.555 ( 0.000 -12.913 21.170) 24.797 3.303 ( 0.000 2.773 -8.825) 9.250 3.353 ( 0.000 -2.302 -7.625) 7.965 3.752 ( 0.000 4.085 7.285) 8.352 3.755 ( 0.000 2.491 -1.480) 2.897 3.875 ( 0.000 8.324 -6.899) 10.812 4.023 ( 0.000 -5.215 -0.076) 5.216 4.038 ( 0.000 11.659 -11.866) 16.636 4.202 ( 0.000 0.452 9.398) 9.409 4.484 ( 0.000 0.930 11.670) 11.707 4.758 ( 0.000 -18.765 25.442) 31.614 4.793 ( 0.000 7.287 14.238) 15.994 4.997 ( 0.000 -12.397 17.002) 21.042 5.226 ( 0.000 3.268 12.579) 12.997 5.327 ( 0.000 -7.600 13.379) 15.387 6.127 ( 0.000 6.164 -6.491) 8.952 6.238 ( 0.000 -3.770 -0.788) 3.852 6.444 ( 0.000 6.365 -13.993) 15.373 6.510 ( 0.000 0.405 -11.230) 11.237 6.555 ( 0.000 10.379 -11.970) 15.843 6.704 ( 0.000 -2.500 -15.781) 15.978 6.982 ( 0.000 3.399 -1.459) 3.699 7.128 ( 0.000 -8.407 4.033) 9.324 7.901 ( 0.000 16.662 -15.737) 22.918 8.161 ( 0.000 -9.315 -13.376) 16.300 8.706 ( 0.000 7.074 13.503) 15.244 8.853 ( 0.000 -7.509 9.779) 12.329 9.442 ( 0.000 2.750 -1.620) 3.191 9.496 ( 0.000 -3.077 -0.987) 3.231 10.037 ( 0.000 3.564 7.113) 7.956 10.108 ( 0.000 -2.979 8.287) 8.807 10.517 ( 0.000 2.407 -0.426) 2.445 10.551 ( 0.000 -0.568 -1.371) 1.484 11.276 ( 0.000 1.223 7.709) 7.806 11.322 ( 0.000 -2.988 12.811) 13.155 11.462 ( 0.000 8.797 0.047) 8.797 11.533 ( 0.000 23.734 9.042) 25.398 11.636 ( 0.000 -4.481 9.293) 10.317 11.970 ( 0.000 -12.094 8.470) 14.765 12.475 ( 0.000 -4.401 13.060) 13.782 12.484 ( 0.000 -6.390 6.288) 8.965 12.629 ( 0.000 4.036 9.667) 10.475 12.836 ( 0.000 -12.062 16.342) 20.311 13.268 ( 0.000 7.310 3.573) 8.136 13.349 ( 0.000 -0.977 3.720) 3.846 14.087 ( 0.000 1.136 3.167) 3.364 14.143 ( 0.000 -3.632 -5.700) 6.759 14.532 ( 0.000 5.017 3.775) 6.278 14.580 ( 0.000 0.044 -1.600) 1.601 15.138 ( 0.000 -0.679 -1.546) 1.688 15.212 ( 0.000 -8.450 3.204) 9.037 16.436 ( 0.000 3.926 -10.877) 11.564 16.483 ( 0.000 -1.236 -16.584) 16.630 16.958 ( 0.000 14.049 -4.122) 14.642 17.180 ( 0.000 -8.653 -0.254) 8.657 17.585 ( 0.000 8.624 -11.941) 14.729 17.613 ( 0.000 12.919 2.870) 13.234 17.784 ( 0.000 -10.140 -14.366) 17.584 18.005 ( 0.000 -23.545 2.238) 23.652 18.365 ( 0.000 15.844 -16.102) 22.590 18.740 ( 0.000 -20.859 -12.126) 24.128 19.409 ( 0.000 10.872 23.142) 25.569 19.650 ( 0.000 -13.048 18.453) 22.600 20.947 ( 0.000 11.321 -10.834) 15.670 21.123 ( 0.000 -6.222 -15.423) 16.631 21.420 ( 0.000 3.221 12.700) 13.102 21.488 ( 0.000 -3.015 13.399) 13.734 22.463 ( 0.000 13.224 -16.503) 21.148 22.652 ( 0.000 -6.196 -16.762) 17.871 ======================= Grid point 188 (68/108) ======================= q-point: ( 0.10 0.40 0.30) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( 8.111 8.158 18.782) 22.025 2.221 ( 8.293 7.348 18.897) 21.906 2.491 ( 3.494 -5.290 12.697) 14.192 2.606 ( 4.640 -13.078 19.452) 23.895 3.340 ( 3.485 3.139 -8.176) 9.426 3.400 ( 3.938 -2.972 -7.662) 9.113 3.692 ( -4.584 4.384 1.784) 6.588 3.724 ( -2.858 1.320 -1.004) 3.305 3.878 ( -1.916 6.599 -2.875) 7.449 3.984 ( -3.079 -0.250 -2.903) 4.239 4.026 ( -1.664 4.854 -10.069) 11.301 4.174 ( -3.430 -2.249 2.080) 4.599 4.459 ( 0.380 9.067 22.766) 24.508 4.701 ( -5.474 4.562 12.046) 13.996 4.806 ( 1.697 -14.849 16.844) 22.519 4.927 ( -4.623 -12.849 16.562) 21.466 5.280 ( 3.234 1.407 12.461) 12.951 5.334 ( -1.496 -5.040 9.561) 10.911 6.111 ( -0.950 5.747 -5.820) 8.234 6.202 ( -5.222 -1.013 -5.835) 7.895 6.368 ( -1.336 5.531 -7.924) 9.755 6.443 ( -0.099 0.374 -12.824) 12.830 6.674 ( 1.544 1.563 -13.335) 13.515 6.730 ( 0.947 -2.693 -12.041) 12.374 7.075 ( 11.406 8.295 3.661) 14.571 7.249 ( 10.953 -8.071 4.442) 14.312 7.940 ( 4.137 16.866 -13.728) 22.137 8.208 ( 4.777 -9.747 -11.957) 16.149 8.703 ( -0.362 7.555 13.092) 15.120 8.859 ( 0.421 -7.825 11.363) 13.804 9.374 ( -6.015 5.607 -0.056) 8.223 9.494 ( -0.822 -6.384 -0.596) 6.465 10.302 ( 25.296 3.481 7.176) 26.523 10.365 ( 24.528 -2.295 8.166) 25.953 10.685 ( 15.009 3.096 0.968) 15.356 10.731 ( 14.655 -1.196 1.664) 14.798 11.325 ( 5.021 1.762 9.399) 10.800 11.379 ( 5.833 0.747 8.680) 10.485 11.481 ( 2.914 12.810 6.142) 14.502 11.647 ( 9.966 9.344 3.306) 14.056 11.700 ( 7.515 -2.342 10.886) 13.433 11.954 ( -0.654 -10.835 7.613) 13.259 12.447 ( -0.643 -1.262 10.042) 10.141 12.550 ( 4.580 -5.481 7.402) 10.286 12.687 ( 5.896 0.818 8.294) 10.209 12.871 ( 3.496 -11.322 14.387) 18.638 13.280 ( 1.186 8.212 4.162) 9.282 13.373 ( 2.389 -1.357 3.653) 4.571 14.031 ( -4.781 2.537 2.578) 5.994 14.116 ( -2.273 -5.002 -6.218) 8.298 14.522 ( -0.486 7.013 3.745) 7.966 14.614 ( 2.571 -1.692 0.624) 3.140 15.112 ( -2.459 0.346 -1.472) 2.886 15.215 ( -0.248 -9.820 3.696) 10.495 16.425 ( -1.103 4.438 -10.136) 11.120 16.472 ( -1.349 -0.770 -16.526) 16.599 16.953 ( -0.359 11.659 -5.873) 13.059 17.137 ( -4.060 -7.120 -1.261) 8.293 17.383 ( -13.389 9.410 -5.484) 17.260 17.642 ( -9.718 -6.528 -13.832) 18.122 17.689 ( -0.821 5.691 -2.010) 6.092 18.003 ( -1.087 -16.842 1.554) 16.948 18.405 ( 2.161 9.681 -16.049) 18.867 18.700 ( -4.319 -17.655 -10.547) 21.014 19.414 ( 0.882 10.613 22.215) 24.636 19.653 ( 0.676 -13.071 17.991) 22.248 20.903 ( -4.366 10.161 -8.639) 14.033 21.052 ( -6.464 -4.734 -9.781) 12.644 21.429 ( 0.324 1.618 6.871) 7.067 21.463 ( -2.380 -1.499 10.427) 10.799 22.361 ( -9.578 13.234 -14.699) 21.976 22.557 ( -9.162 -6.662 -15.785) 19.429 ======================= Grid point 189 (69/108) ======================= q-point: ( 0.20 0.40 0.30) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.399 ( 10.755 5.098 15.999) 19.941 2.428 ( 11.262 6.703 14.931) 19.866 2.594 ( 6.784 -4.389 10.456) 13.214 2.718 ( 6.420 -11.748 14.790) 19.949 3.412 ( 2.100 1.834 -4.484) 5.280 3.441 ( -1.321 -1.455 -4.497) 4.907 3.602 ( -3.767 5.124 -3.635) 7.325 3.681 ( -3.363 -1.178 -1.662) 3.932 3.778 ( -4.267 5.705 -1.295) 7.241 3.882 ( -7.199 -4.462 1.630) 8.625 4.013 ( 1.412 1.466 -14.123) 14.269 4.063 ( -6.631 -1.733 -8.450) 10.880 4.534 ( -5.864 7.537 6.353) 11.470 4.614 ( 9.363 17.254 26.784) 33.208 4.733 ( -8.864 -9.365 0.797) 12.919 4.953 ( 4.122 -11.671 19.153) 22.805 5.229 ( -5.011 -1.600 2.901) 6.007 5.312 ( -1.057 -7.247 4.564) 8.629 6.085 ( -0.540 6.198 -2.890) 6.860 6.166 ( 1.915 -0.327 -1.933) 2.740 6.382 ( 0.366 0.745 -6.225) 6.280 6.430 ( -1.530 -2.491 -9.429) 9.871 6.671 ( -1.236 2.441 -7.545) 8.026 6.704 ( -2.793 -0.696 -9.063) 9.509 7.388 ( 18.329 7.285 6.118) 20.651 7.533 ( 16.907 -6.574 7.086) 19.475 8.067 ( 8.469 16.900 -8.920) 20.902 8.346 ( 8.743 -10.174 -8.104) 15.672 8.691 ( -0.836 7.537 11.867) 14.083 8.858 ( -0.822 -8.307 13.177) 15.599 9.231 ( -7.906 9.981 1.502) 12.821 9.452 ( -3.492 -11.218 0.570) 11.763 10.908 ( 28.272 4.044 7.794) 29.604 10.947 ( 22.655 3.090 7.101) 23.942 10.992 ( 17.509 -1.944 7.851) 19.287 11.018 ( 17.550 -1.153 5.165) 18.331 11.419 ( 2.898 10.903 7.826) 13.730 11.549 ( 12.406 9.249 13.375) 20.453 11.644 ( 10.710 -6.445 6.806) 14.233 11.832 ( 2.113 -9.132 16.225) 18.738 11.925 ( 20.254 5.754 5.202) 21.688 12.097 ( 16.580 -8.110 2.661) 18.648 12.481 ( 6.372 7.125 9.574) 13.529 12.669 ( 7.533 -5.329 4.234) 10.152 12.876 ( 13.296 -3.199 6.149) 14.994 12.979 ( 8.152 -7.849 7.373) 13.507 13.322 ( 3.603 9.698 4.109) 11.132 13.444 ( 4.871 -2.639 3.554) 6.582 13.939 ( -3.509 5.331 0.504) 6.402 14.082 ( -0.406 -7.591 -7.873) 10.944 14.522 ( 0.697 9.902 6.610) 11.926 14.663 ( 2.015 -2.777 4.096) 5.343 15.046 ( -3.932 0.877 -2.462) 4.721 15.184 ( -2.984 -11.973 5.157) 13.373 16.388 ( -2.933 5.066 -8.775) 10.549 16.415 ( -4.494 1.238 -16.265) 16.920 16.939 ( -1.995 5.266 -8.154) 9.909 17.045 ( -4.037 -4.037 -4.859) 7.497 17.104 ( -13.545 8.696 -5.623) 17.050 17.395 ( -12.961 -14.201 -13.566) 23.530 17.646 ( -4.461 13.266 -0.354) 14.001 17.932 ( -6.554 -11.256 1.287) 13.089 18.386 ( -4.849 2.063 -13.087) 14.108 18.558 ( -10.043 -12.913 -7.716) 18.087 19.466 ( 4.860 10.233 19.124) 22.228 19.692 ( 3.487 -12.115 16.124) 20.467 20.782 ( -7.573 7.407 -3.111) 11.041 20.894 ( -9.045 -3.729 -2.181) 10.023 21.395 ( -3.700 2.315 4.500) 6.269 21.424 ( -1.250 0.212 -2.608) 2.900 22.121 ( -13.440 11.899 -11.598) 21.371 22.316 ( -14.233 -7.260 -13.991) 21.238 ======================= Grid point 190 (70/108) ======================= q-point: ( 0.30 0.40 0.30) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.620 ( 10.817 2.541 13.470) 17.461 2.655 ( 11.315 1.817 9.280) 14.746 2.756 ( 9.593 -0.241 9.044) 13.186 2.876 ( 9.826 -8.751 8.824) 15.843 3.355 ( -5.352 1.127 -0.692) 5.513 3.404 ( -2.654 -3.283 -0.921) 4.321 3.500 ( -8.876 4.499 -0.188) 9.953 3.546 ( -5.171 1.956 -1.938) 5.858 3.719 ( -7.098 -0.065 1.528) 7.261 3.767 ( -4.019 -2.502 -3.330) 5.788 3.992 ( 2.282 7.277 -15.520) 17.293 4.095 ( 4.058 -4.315 -13.150) 14.422 4.316 ( -12.578 5.020 -1.579) 13.635 4.507 ( -11.007 -10.249 -5.114) 15.886 4.861 ( -7.453 13.384 -8.725) 17.629 4.953 ( 16.896 14.802 22.349) 31.687 5.197 ( -4.276 -10.245 -7.381) 13.331 5.385 ( 12.334 -17.595 17.052) 27.431 6.094 ( -0.316 7.317 2.541) 7.752 6.220 ( 2.353 -3.979 5.219) 6.972 6.350 ( -3.261 1.989 -3.903) 5.461 6.387 ( -1.995 -1.118 -5.945) 6.370 6.609 ( -4.608 3.285 -4.268) 7.088 6.654 ( -2.369 -0.921 -3.220) 4.102 7.764 ( 18.664 6.395 7.395) 21.069 7.892 ( 18.346 -5.767 8.976) 21.223 8.264 ( 10.838 16.471 -3.902) 20.099 8.536 ( 9.178 -7.414 -0.759) 11.823 8.670 ( -0.918 4.143 7.385) 8.517 8.818 ( -3.293 -8.035 13.641) 16.170 9.066 ( -8.503 12.353 1.965) 15.125 9.354 ( -6.316 -14.634 1.326) 15.994 11.114 ( 6.159 5.441 9.669) 12.690 11.202 ( 9.066 -2.275 5.165) 10.680 11.394 ( 9.505 0.773 3.382) 10.118 11.424 ( 12.748 -0.614 3.142) 13.144 11.501 ( 8.814 10.293 16.417) 21.287 11.741 ( 3.847 -7.982 18.342) 20.370 11.835 ( 7.935 2.761 10.575) 13.506 11.893 ( 4.709 0.821 13.758) 14.564 12.343 ( 10.080 2.348 11.820) 15.711 12.434 ( 23.153 -4.819 9.072) 25.329 12.752 ( 14.250 0.997 14.018) 20.014 12.821 ( 5.564 -7.281 10.322) 13.803 13.217 ( 23.846 3.247 -0.891) 24.083 13.300 ( 23.404 -3.768 -1.204) 23.736 13.477 ( 13.500 6.671 1.091) 15.098 13.592 ( 11.681 -4.614 3.540) 13.049 13.924 ( 2.974 9.040 -4.486) 10.521 14.116 ( 4.053 -8.098 -8.780) 12.613 14.562 ( 3.711 10.164 8.886) 14.001 14.682 ( -0.320 0.151 6.793) 6.803 14.977 ( -2.353 -1.600 -3.761) 4.716 15.120 ( -2.095 -13.371 7.114) 15.289 16.280 ( -6.465 7.243 -12.171) 15.569 16.320 ( -5.914 1.299 -10.515) 12.134 16.809 ( -14.165 3.812 -5.245) 15.578 16.866 ( -6.557 0.421 -7.826) 10.219 17.014 ( -1.818 -0.499 -12.358) 12.501 17.147 ( -12.143 -11.237 -13.212) 21.173 17.536 ( -5.069 12.898 0.083) 13.859 17.757 ( -9.336 -6.308 0.985) 11.310 18.221 ( -10.917 -3.626 -8.205) 14.129 18.304 ( -15.062 -10.060 -6.091) 19.109 19.615 ( 9.877 8.941 14.773) 19.893 19.796 ( 6.932 -8.975 13.727) 17.806 20.609 ( -9.696 4.059 3.206) 10.989 20.697 ( -10.762 -4.319 3.927) 12.243 21.328 ( -2.472 6.550 -3.151) 7.677 21.397 ( -1.082 1.105 -9.393) 9.520 21.857 ( -12.544 7.961 -9.907) 17.857 22.022 ( -14.630 -7.247 -13.071) 20.914 ======================= Grid point 191 (71/108) ======================= q-point: ( 0.40 0.40 0.30) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.818 ( 9.149 1.105 9.563) 13.281 2.858 ( 8.862 -2.709 6.510) 11.325 2.971 ( 9.940 4.090 7.276) 12.980 3.072 ( 5.746 -5.348 5.611) 9.648 3.271 ( -3.613 1.079 3.036) 4.841 3.299 ( -0.419 -1.932 0.392) 2.016 3.428 ( 0.898 2.321 -1.399) 2.855 3.472 ( -0.854 1.037 -2.965) 3.256 3.554 ( -8.936 2.920 1.919) 9.595 3.652 ( -5.504 -3.873 -3.597) 7.631 3.923 ( -16.244 0.039 -9.163) 18.651 3.985 ( -14.686 -5.970 -0.565) 15.863 4.210 ( 8.593 16.035 -17.254) 25.073 4.530 ( 11.609 -14.488 -17.479) 25.499 4.664 ( -10.583 17.510 -18.818) 27.798 5.026 ( -9.464 -17.950 -16.878) 26.393 5.369 ( 19.668 15.037 18.169) 30.709 5.672 ( 14.694 -13.678 15.518) 25.373 6.005 ( -9.314 7.588 6.336) 13.582 6.157 ( -8.528 -6.237 6.899) 12.618 6.354 ( 3.255 3.606 0.561) 4.890 6.380 ( 1.776 1.679 -0.268) 2.459 6.521 ( -3.821 3.352 -0.540) 5.112 6.589 ( -4.128 -2.612 0.776) 4.946 8.110 ( 15.798 6.614 8.152) 18.967 8.237 ( 15.854 -5.265 10.757) 19.869 8.479 ( 9.776 15.512 0.307) 18.338 8.564 ( -4.594 6.591 10.501) 13.222 8.702 ( -5.499 -4.434 11.239) 13.275 8.775 ( 4.463 -4.957 0.922) 6.733 8.912 ( -4.617 4.496 0.180) 6.447 9.205 ( -8.521 -16.199 1.028) 18.333 11.240 ( 6.627 5.789 9.332) 12.827 11.357 ( 6.842 -5.420 3.989) 9.596 11.444 ( -1.053 4.223 6.227) 7.597 11.521 ( -0.613 -2.442 1.165) 2.774 11.687 ( 7.536 7.108 14.343) 17.693 11.834 ( 4.677 -4.113 18.269) 19.302 11.899 ( -1.215 1.619 11.911) 12.081 11.922 ( -0.116 -3.572 11.088) 11.650 12.533 ( 8.701 11.030 18.171) 22.968 12.712 ( 4.852 1.842 17.864) 18.603 12.863 ( 1.014 -9.336 18.383) 20.643 12.915 ( 2.811 -6.341 14.209) 15.811 13.644 ( 12.429 2.748 -2.628) 12.997 13.685 ( 14.836 -0.594 -4.287) 15.454 13.814 ( 13.661 2.875 2.388) 14.163 13.853 ( 6.040 -0.558 2.333) 6.499 14.175 ( 19.749 7.024 -4.433) 21.425 14.295 ( 16.188 -3.306 -9.496) 19.056 14.638 ( -0.575 -0.047 -0.205) 0.612 14.696 ( 5.347 -1.238 2.724) 6.127 15.010 ( 10.793 2.321 4.042) 11.756 15.186 ( 11.747 -11.055 8.359) 18.168 16.100 ( -18.159 2.986 -3.263) 18.690 16.156 ( -11.989 -1.740 -7.271) 14.129 16.502 ( -10.373 14.083 -8.755) 19.560 16.763 ( -2.957 -5.293 -12.261) 13.678 16.862 ( -13.511 1.686 -11.609) 17.892 16.945 ( -7.600 -5.275 -12.770) 15.769 17.517 ( 4.025 7.147 -2.169) 8.485 17.652 ( 0.122 -5.431 -2.536) 5.995 17.973 ( -14.377 -6.057 -4.256) 16.171 17.992 ( -14.215 -7.655 -7.026) 17.608 19.844 ( 12.676 7.369 11.558) 18.670 19.960 ( 9.151 -3.485 11.854) 15.376 20.401 ( -10.840 -0.153 7.661) 13.275 20.466 ( -12.100 -5.690 7.839) 15.500 21.314 ( 1.296 10.203 -8.183) 13.143 21.392 ( 0.416 5.906 -12.567) 13.892 21.643 ( -8.220 0.435 -10.170) 13.084 21.757 ( -11.449 -7.453 -13.305) 19.069 ======================= Grid point 192 (72/108) ======================= q-point: (-0.50 0.40 0.30) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.978 ( -6.063 0.973 7.260) 9.509 2.978 ( 6.063 0.973 7.260) 9.509 3.022 ( -7.075 -3.515 4.751) 9.219 3.022 ( 7.075 -3.515 4.751) 9.219 3.337 ( -9.949 8.178 4.163) 13.535 3.337 ( 9.949 8.178 4.163) 13.535 3.448 ( -3.748 -1.263 0.929) 4.063 3.448 ( 3.748 -1.263 0.929) 4.063 3.582 ( -14.952 0.846 -7.650) 16.817 3.582 ( 14.952 0.846 -7.650) 16.817 3.688 ( -10.581 -8.870 -2.533) 14.037 3.688 ( 10.581 -8.870 -2.533) 14.037 4.436 ( -11.999 17.740 -20.224) 29.457 4.436 ( 11.999 17.740 -20.224) 29.457 4.795 ( -13.218 -16.998 -19.152) 28.817 4.795 ( 13.218 -16.998 -19.152) 28.817 5.737 ( -16.476 10.398 11.553) 22.651 5.737 ( 16.476 10.398 11.553) 22.651 5.945 ( -12.205 -8.945 10.751) 18.562 5.945 ( 12.205 -8.945 10.751) 18.562 6.407 ( -1.665 5.939 1.084) 6.263 6.407 ( 1.665 5.939 1.084) 6.263 6.504 ( -3.429 -2.932 2.514) 5.165 6.504 ( 3.429 -2.932 2.514) 5.165 8.381 ( -10.861 7.043 9.272) 15.922 8.381 ( 10.861 7.043 9.272) 15.922 8.518 ( -11.092 -5.320 12.367) 17.443 8.518 ( 11.092 -5.320 12.367) 17.443 8.687 ( -8.737 15.342 1.619) 17.729 8.687 ( 8.737 15.342 1.619) 17.729 9.022 ( -9.537 -16.055 -0.603) 18.684 9.022 ( 9.537 -16.055 -0.603) 18.684 11.369 ( -5.841 4.847 8.269) 11.224 11.369 ( 5.841 4.847 8.269) 11.224 11.470 ( -4.199 -4.860 2.828) 7.018 11.470 ( 4.199 -4.860 2.828) 7.018 11.809 ( -5.067 5.550 12.273) 14.391 11.809 ( 5.067 5.550 12.273) 14.391 11.912 ( -1.653 -4.207 13.156) 13.911 11.912 ( 1.653 -4.207 13.156) 13.911 12.680 ( -5.726 10.142 20.273) 23.381 12.680 ( 5.726 10.142 20.273) 23.381 12.909 ( -2.471 -11.571 18.028) 21.564 12.909 ( 2.471 -11.571 18.028) 21.564 13.813 ( -3.853 5.421 0.619) 6.680 13.813 ( 3.853 5.421 0.619) 6.680 13.896 ( -2.620 -2.501 -1.061) 3.774 13.896 ( 2.620 -2.501 -1.061) 3.774 14.434 ( -5.981 10.183 -2.340) 12.039 14.434 ( 5.981 10.183 -2.340) 12.039 14.684 ( -5.789 -13.319 -6.089) 15.747 14.684 ( 5.789 -13.319 -6.089) 15.747 15.530 ( -25.717 5.623 3.301) 26.531 15.530 ( 25.717 5.623 3.301) 26.531 15.670 ( -22.580 -7.147 4.103) 24.037 15.670 ( 22.580 -7.147 4.103) 24.037 16.579 ( -12.449 13.187 -11.951) 21.719 16.579 ( 12.449 13.187 -11.951) 21.719 16.804 ( -5.616 -6.785 -13.588) 16.193 16.804 ( 5.616 -6.785 -13.588) 16.193 17.677 ( -9.813 0.039 -4.325) 10.724 17.677 ( 9.813 0.039 -4.325) 10.724 17.769 ( -6.859 -7.988 -5.321) 11.797 17.769 ( 6.859 -7.988 -5.321) 11.797 20.069 ( -5.535 8.889 10.190) 14.611 20.069 ( 5.535 8.889 10.190) 14.611 20.262 ( -4.120 -10.109 9.670) 14.583 20.262 ( 4.120 -10.109 9.670) 14.583 21.370 ( -3.265 13.284 -10.527) 17.262 21.370 ( 3.265 13.284 -10.527) 17.262 21.592 ( -4.049 -8.689 -13.012) 16.162 21.592 ( 4.049 -8.689 -13.012) 16.162 ======================= Grid point 220 (73/108) ======================= q-point: ( 0.00 0.00 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.349 ( 0.000 0.000 27.982) 27.982 2.457 ( 0.000 0.000 23.523) 23.523 2.776 ( 0.000 0.000 2.846) 2.846 3.020 ( 0.000 0.000 -7.931) 7.931 3.180 ( 0.000 0.000 -14.601) 14.601 3.249 ( 0.000 0.000 17.950) 17.950 3.356 ( 0.000 0.000 -22.021) 22.021 3.540 ( 0.000 0.000 -0.895) 0.895 3.647 ( 0.000 0.000 -4.712) 4.712 3.799 ( 0.000 0.000 -4.991) 4.991 4.291 ( 0.000 0.000 14.932) 14.932 4.511 ( 0.000 0.000 -2.473) 2.473 4.739 ( 0.000 0.000 34.490) 34.490 5.145 ( 0.000 0.000 8.096) 8.096 5.332 ( 0.000 0.000 25.072) 25.072 5.409 ( 0.000 0.000 17.877) 17.877 5.669 ( 0.000 0.000 -16.178) 16.178 5.738 ( 0.000 0.000 1.862) 1.862 5.908 ( 0.000 0.000 0.413) 0.413 5.932 ( 0.000 0.000 12.293) 12.293 6.115 ( 0.000 0.000 -8.922) 8.922 6.214 ( 0.000 0.000 -28.815) 28.815 6.271 ( 0.000 0.000 -11.629) 11.629 6.279 ( 0.000 0.000 -6.043) 6.043 6.853 ( 0.000 0.000 -3.398) 3.398 7.101 ( 0.000 0.000 -10.114) 10.114 7.459 ( 0.000 0.000 11.221) 11.221 8.030 ( 0.000 0.000 -16.878) 16.878 8.932 ( 0.000 0.000 21.326) 21.326 9.142 ( 0.000 0.000 3.381) 3.381 9.282 ( 0.000 0.000 -2.675) 2.675 9.529 ( 0.000 0.000 -8.996) 8.996 10.061 ( 0.000 0.000 6.085) 6.085 10.259 ( 0.000 0.000 4.112) 4.112 10.347 ( 0.000 0.000 -7.407) 7.407 10.395 ( 0.000 0.000 -3.451) 3.451 11.240 ( 0.000 0.000 0.478) 0.478 11.304 ( 0.000 0.000 -2.644) 2.644 11.426 ( 0.000 0.000 26.391) 26.391 11.772 ( 0.000 0.000 14.813) 14.813 11.842 ( 0.000 0.000 4.452) 4.452 12.304 ( 0.000 0.000 18.047) 18.047 12.548 ( 0.000 0.000 -20.035) 20.035 12.661 ( 0.000 0.000 8.119) 8.119 12.980 ( 0.000 0.000 -1.172) 1.172 13.028 ( 0.000 0.000 0.225) 0.225 13.399 ( 0.000 0.000 7.144) 7.144 13.588 ( 0.000 0.000 14.909) 14.909 14.044 ( 0.000 0.000 0.308) 0.308 14.353 ( 0.000 0.000 5.334) 5.334 14.427 ( 0.000 0.000 -7.559) 7.559 14.463 ( 0.000 0.000 6.921) 6.921 15.113 ( 0.000 0.000 6.184) 6.184 15.604 ( 0.000 0.000 2.993) 2.993 16.022 ( 0.000 0.000 -27.669) 27.669 16.160 ( 0.000 0.000 -16.505) 16.505 16.482 ( 0.000 0.000 17.814) 17.814 17.379 ( 0.000 0.000 -0.891) 0.891 17.385 ( 0.000 0.000 -0.360) 0.360 17.506 ( 0.000 0.000 -30.516) 30.516 17.600 ( 0.000 0.000 6.382) 6.382 17.867 ( 0.000 0.000 -6.257) 6.257 18.787 ( 0.000 0.000 8.580) 8.580 19.173 ( 0.000 0.000 -10.540) 10.540 19.667 ( 0.000 0.000 27.896) 27.896 20.263 ( 0.000 0.000 1.631) 1.631 20.337 ( 0.000 0.000 -2.604) 2.604 20.752 ( 0.000 0.000 -26.959) 26.959 21.593 ( 0.000 0.000 3.741) 3.741 21.734 ( 0.000 0.000 -2.965) 2.965 21.839 ( 0.000 0.000 15.431) 15.431 22.447 ( 0.000 0.000 -16.025) 16.025 ======================= Grid point 221 (74/108) ======================= q-point: ( 0.10 0.00 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( 6.823 0.000 25.095) 26.006 2.530 ( 6.951 0.000 22.451) 23.503 2.800 ( 2.239 0.000 3.099) 3.824 3.027 ( 1.133 0.000 -8.235) 8.313 3.270 ( 8.187 0.000 -14.010) 16.227 3.270 ( 1.567 0.000 12.865) 12.960 3.379 ( 2.010 0.000 -16.916) 17.035 3.518 ( -2.038 0.000 -0.559) 2.114 3.619 ( -2.675 0.000 -4.814) 5.507 3.793 ( -0.849 0.000 -4.505) 4.584 4.251 ( -4.709 0.000 12.737) 13.580 4.399 ( -10.650 0.000 -0.216) 10.652 4.730 ( -1.067 0.000 29.723) 29.743 4.934 ( -15.076 0.000 8.296) 17.208 5.203 ( -9.417 0.000 21.852) 23.795 5.294 ( -23.167 0.000 -12.743) 26.441 5.522 ( 5.911 0.000 16.407) 17.439 5.878 ( -10.284 0.000 -3.732) 10.941 5.893 ( 8.924 0.000 -0.708) 8.952 5.935 ( 0.693 0.000 9.228) 9.254 6.140 ( 7.976 0.000 -11.454) 13.957 6.268 ( 8.299 0.000 -16.427) 18.404 6.304 ( 1.909 0.000 -6.096) 6.388 6.442 ( 4.409 0.000 -17.338) 17.890 6.953 ( 12.377 0.000 2.799) 12.689 7.192 ( 8.851 0.000 -8.276) 12.118 7.580 ( 11.482 0.000 11.244) 16.071 8.117 ( 8.385 0.000 -15.580) 17.693 8.838 ( -5.992 0.000 16.171) 17.246 9.161 ( -9.220 0.000 -2.500) 9.553 9.248 ( 6.332 0.000 7.877) 10.107 9.608 ( 4.896 0.000 -7.509) 8.965 10.323 ( 25.114 0.000 5.977) 25.816 10.454 ( 18.398 0.000 2.600) 18.581 10.581 ( 16.716 0.000 -2.672) 16.928 10.616 ( 24.856 0.000 -5.338) 25.422 11.265 ( -0.684 0.000 11.941) 11.961 11.372 ( 12.748 0.000 -0.257) 12.750 11.603 ( 14.503 0.000 12.249) 18.984 11.819 ( 5.636 0.000 14.578) 15.629 11.871 ( 4.252 0.000 4.623) 6.281 12.325 ( 2.353 0.000 16.867) 17.030 12.563 ( 0.702 0.000 -14.850) 14.867 12.667 ( 0.904 0.000 5.960) 6.028 12.949 ( -1.841 0.000 -5.030) 5.356 12.988 ( -3.569 0.000 -0.698) 3.637 13.454 ( 4.655 0.000 6.457) 7.961 13.579 ( -1.355 0.000 17.051) 17.105 14.031 ( -0.988 0.000 -1.034) 1.430 14.299 ( -7.096 0.000 4.791) 8.562 14.349 ( 0.145 0.000 5.329) 5.331 14.579 ( 6.173 0.000 -4.115) 7.419 15.047 ( -6.044 0.000 5.443) 8.134 15.674 ( 6.215 0.000 3.350) 7.061 15.981 ( -4.237 0.000 -28.044) 28.363 16.171 ( -0.452 0.000 -8.777) 8.789 16.483 ( 1.442 0.000 9.837) 9.943 17.158 ( -14.214 0.000 -8.103) 16.361 17.357 ( -2.998 0.000 0.695) 3.078 17.546 ( -5.389 0.000 6.560) 8.489 17.617 ( 3.011 0.000 -20.545) 20.765 17.834 ( -2.815 0.000 -7.578) 8.084 18.759 ( -3.064 0.000 7.515) 8.116 19.111 ( -6.289 0.000 -9.722) 11.578 19.639 ( -2.243 0.000 27.597) 27.688 20.247 ( -1.410 0.000 2.701) 3.046 20.342 ( 0.536 0.000 -3.779) 3.817 20.724 ( -2.447 0.000 -26.027) 26.142 21.519 ( -6.966 0.000 5.699) 9.000 21.714 ( -2.003 0.000 -4.148) 4.606 21.773 ( -6.545 0.000 14.853) 16.231 22.368 ( -7.720 0.000 -15.785) 17.572 ======================= Grid point 222 (75/108) ======================= q-point: ( 0.20 0.00 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.585 ( 8.794 0.000 18.764) 20.722 2.710 ( 10.294 0.000 18.982) 21.594 2.857 ( 3.235 0.000 2.535) 4.110 3.080 ( 4.355 0.000 -9.198) 10.177 3.285 ( -0.738 0.000 8.644) 8.675 3.418 ( 0.880 0.000 -11.290) 11.324 3.427 ( 3.398 0.000 -8.295) 8.964 3.486 ( 0.678 0.000 1.141) 1.327 3.560 ( -2.079 0.000 -6.282) 6.617 3.770 ( 0.048 0.000 -4.813) 4.813 4.089 ( -10.729 0.000 7.944) 13.350 4.133 ( -14.764 0.000 1.753) 14.868 4.533 ( -15.844 0.000 -8.759) 18.104 4.748 ( -27.499 0.000 -9.893) 29.224 4.868 ( 7.360 0.000 35.873) 36.620 5.049 ( -9.830 0.000 17.053) 19.683 5.645 ( 6.230 0.000 11.628) 13.192 5.692 ( -7.861 0.000 -9.634) 12.434 5.965 ( 2.099 0.000 -0.388) 2.134 6.068 ( 5.835 0.000 0.155) 5.837 6.201 ( 1.975 0.000 -12.624) 12.777 6.323 ( -0.022 0.000 -6.081) 6.082 6.456 ( -0.003 0.000 -8.464) 8.464 6.487 ( 9.962 0.000 -3.694) 10.624 7.308 ( 20.663 0.000 2.815) 20.854 7.428 ( 14.063 0.000 -4.152) 14.663 7.883 ( 18.053 0.000 11.563) 21.439 8.340 ( 13.160 0.000 -12.011) 17.818 8.734 ( -4.578 0.000 11.901) 12.752 8.968 ( -9.507 0.000 -1.177) 9.580 9.331 ( 1.890 0.000 10.623) 10.789 9.679 ( 2.048 0.000 -5.790) 6.142 10.866 ( 19.659 0.000 -0.635) 19.669 10.868 ( 19.150 0.000 -0.332) 19.153 11.042 ( 33.690 0.000 5.255) 34.098 11.176 ( 23.737 0.000 3.548) 24.000 11.327 ( 10.566 0.000 15.733) 18.952 11.620 ( 7.922 0.000 0.117) 7.922 11.853 ( 8.110 0.000 16.220) 18.134 12.156 ( 30.471 0.000 5.416) 30.949 12.165 ( 28.693 0.000 3.858) 28.951 12.411 ( 6.116 0.000 13.747) 15.046 12.535 ( -3.114 0.000 -2.722) 4.136 12.700 ( 1.263 0.000 3.717) 3.926 12.931 ( 0.591 0.000 -3.698) 3.745 12.985 ( 7.613 0.000 -17.946) 19.494 13.520 ( -4.322 0.000 20.581) 21.030 13.546 ( 3.798 0.000 5.293) 6.515 14.021 ( 0.059 0.000 -3.585) 3.585 14.176 ( -4.842 0.000 11.620) 12.588 14.386 ( 4.035 0.000 6.008) 7.238 14.698 ( 6.026 0.000 -8.505) 10.423 14.905 ( -7.474 0.000 5.741) 9.424 15.765 ( -3.154 0.000 -2.016) 3.743 15.897 ( 1.056 0.000 -21.549) 21.574 16.101 ( -5.738 0.000 5.495) 7.945 16.570 ( 6.123 0.000 -6.111) 8.651 16.888 ( -12.245 0.000 -6.913) 14.061 17.257 ( -6.934 0.000 2.866) 7.503 17.390 ( -10.118 0.000 7.148) 12.388 17.564 ( -7.564 0.000 -13.156) 15.175 17.759 ( -5.507 0.000 -12.186) 13.372 18.656 ( -7.414 0.000 4.265) 8.553 18.919 ( -13.087 0.000 -7.766) 15.218 19.613 ( 0.596 0.000 25.542) 25.549 20.216 ( -1.502 0.000 5.197) 5.410 20.361 ( 1.510 0.000 -6.821) 6.986 20.673 ( -2.223 0.000 -23.222) 23.328 21.343 ( -10.048 0.000 9.264) 13.667 21.586 ( -11.893 0.000 13.565) 18.040 21.654 ( -4.039 0.000 -6.877) 7.975 22.155 ( -13.175 0.000 -15.411) 20.275 ======================= Grid point 223 (76/108) ======================= q-point: ( 0.30 0.00 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.772 ( 10.134 0.000 12.075) 15.764 2.906 ( 8.635 0.000 13.125) 15.710 2.927 ( 4.122 0.000 1.450) 4.369 3.197 ( 6.862 0.000 -10.175) 12.273 3.243 ( -2.512 0.000 4.381) 5.050 3.366 ( -5.826 0.000 -3.940) 7.034 3.401 ( -1.421 0.000 -2.911) 3.239 3.468 ( -7.968 0.000 0.701) 7.999 3.586 ( 7.531 0.000 2.806) 8.037 3.761 ( -8.166 0.000 -2.146) 8.444 3.858 ( -11.377 0.000 2.005) 11.552 3.938 ( -2.423 0.000 -6.129) 6.590 4.209 ( -25.943 0.000 -10.901) 28.141 4.310 ( -1.762 0.000 -15.952) 16.049 4.820 ( -13.180 0.000 17.722) 22.086 5.089 ( 13.703 0.000 27.865) 31.052 5.506 ( -11.526 0.000 -14.292) 18.361 5.759 ( 4.999 0.000 7.534) 9.042 5.995 ( 0.325 0.000 -11.734) 11.738 6.100 ( -2.923 0.000 -4.808) 5.627 6.275 ( 5.815 0.000 -0.603) 5.846 6.340 ( 2.386 0.000 -1.958) 3.087 6.479 ( 2.000 0.000 4.240) 4.689 6.626 ( 3.852 0.000 -1.239) 4.047 7.716 ( 19.542 0.000 0.917) 19.564 7.725 ( 15.167 0.000 -0.215) 15.169 8.261 ( 18.901 0.000 11.581) 22.167 8.575 ( 5.831 0.000 -3.986) 7.063 8.648 ( -4.052 0.000 7.876) 8.857 8.834 ( 0.153 0.000 -3.725) 3.728 9.322 ( -2.942 0.000 12.790) 13.124 9.676 ( -2.802 0.000 -4.548) 5.342 11.145 ( 9.613 0.000 1.327) 9.704 11.160 ( 12.177 0.000 -1.622) 12.285 11.393 ( 7.151 0.000 11.114) 13.216 11.614 ( 11.461 0.000 0.330) 11.465 11.691 ( 13.425 0.000 14.923) 20.073 11.786 ( 16.412 0.000 7.964) 18.242 12.006 ( 8.631 0.000 18.738) 20.630 12.436 ( -4.120 0.000 4.737) 6.278 12.469 ( -1.274 0.000 6.571) 6.693 12.729 ( 4.362 0.000 -4.144) 6.016 12.796 ( 26.583 0.000 6.767) 27.431 12.898 ( 35.970 0.000 -0.915) 35.982 13.168 ( 14.621 0.000 -4.649) 15.343 13.280 ( 21.067 0.000 -17.542) 27.414 13.544 ( 20.471 0.000 18.895) 27.859 13.585 ( 0.325 0.000 4.409) 4.421 14.020 ( -0.627 0.000 -4.265) 4.311 14.125 ( 0.130 0.000 15.141) 15.141 14.517 ( 9.188 0.000 6.556) 11.287 14.766 ( -5.474 0.000 16.836) 17.703 14.840 ( 8.404 0.000 -18.152) 20.003 15.561 ( -13.340 0.000 -12.211) 18.085 15.987 ( 3.596 0.000 -7.611) 8.418 16.003 ( -2.456 0.000 9.410) 9.726 16.613 ( -6.042 0.000 -11.233) 12.755 16.675 ( -9.389 0.000 -7.818) 12.217 17.101 ( -12.154 0.000 2.154) 12.343 17.197 ( -2.140 0.000 8.273) 8.545 17.333 ( -16.229 0.000 -7.845) 18.025 17.635 ( -4.503 0.000 -12.245) 13.047 18.459 ( -12.394 0.000 -0.312) 12.398 18.594 ( -19.265 0.000 -5.583) 20.057 19.685 ( 6.613 0.000 20.835) 21.859 20.193 ( -0.816 0.000 7.889) 7.931 20.407 ( 3.263 0.000 -10.127) 10.639 20.644 ( -0.725 0.000 -19.044) 19.057 21.143 ( -9.617 0.000 11.730) 15.168 21.319 ( -14.281 0.000 12.284) 18.837 21.561 ( -4.977 0.000 -9.938) 11.115 21.871 ( -14.578 0.000 -15.521) 21.294 ======================= Grid point 224 (77/108) ======================= q-point: ( 0.40 0.00 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.988 ( 11.254 0.000 7.553) 13.553 3.009 ( 4.664 0.000 2.535) 5.309 3.071 ( 8.261 0.000 7.558) 11.197 3.198 ( -2.719 0.000 2.038) 3.397 3.234 ( -4.106 0.000 0.184) 4.111 3.287 ( -5.101 0.000 -3.877) 6.407 3.396 ( 6.442 0.000 -8.097) 10.347 3.397 ( 2.050 0.000 -4.644) 5.076 3.533 ( -11.931 0.000 -1.096) 11.981 3.548 ( -11.431 0.000 3.260) 11.887 3.752 ( -18.516 0.000 -12.059) 22.097 3.796 ( -10.193 0.000 -14.282) 17.546 3.892 ( 13.452 0.000 10.633) 17.147 4.506 ( 16.507 0.000 -15.726) 22.799 4.529 ( -15.777 0.000 17.133) 23.291 5.201 ( -14.507 0.000 -12.929) 19.432 5.413 ( 13.980 0.000 13.550) 19.469 5.846 ( 3.953 0.000 2.239) 4.543 5.962 ( -10.320 0.000 -2.825) 10.700 5.975 ( -2.123 0.000 -11.151) 11.352 6.413 ( 4.315 0.000 3.496) 5.554 6.417 ( 7.726 0.000 3.037) 8.302 6.509 ( 0.412 0.000 7.250) 7.262 6.642 ( -1.985 0.000 0.702) 2.105 8.016 ( 13.930 0.000 2.242) 14.109 8.066 ( 15.451 0.000 0.011) 15.451 8.481 ( -3.318 0.000 4.075) 5.255 8.488 ( -9.410 0.000 2.728) 9.798 8.691 ( 14.130 0.000 12.198) 18.667 9.039 ( 14.869 0.000 -6.163) 16.095 9.209 ( -8.431 0.000 13.884) 16.243 9.559 ( -8.942 0.000 -3.862) 9.740 11.304 ( 7.187 0.000 4.500) 8.480 11.380 ( 10.068 0.000 -2.012) 10.267 11.487 ( 1.073 0.000 4.713) 4.834 11.660 ( -2.164 0.000 -2.700) 3.460 11.841 ( 5.633 0.000 19.403) 20.204 12.050 ( 8.017 0.000 8.877) 11.961 12.106 ( -2.345 0.000 19.471) 19.612 12.328 ( -6.612 0.000 7.651) 10.112 12.512 ( 9.157 0.000 4.889) 10.381 12.927 ( 14.067 0.000 -9.922) 17.214 12.982 ( -7.333 0.000 17.661) 19.123 13.356 ( 1.924 0.000 -3.654) 4.130 13.431 ( 19.729 0.000 -0.856) 19.748 13.617 ( 13.933 0.000 -12.031) 18.408 13.737 ( 13.872 0.000 1.627) 13.967 13.955 ( -5.013 0.000 4.715) 6.882 14.209 ( 9.381 0.000 15.984) 18.534 14.373 ( 44.010 0.000 -4.342) 44.223 14.651 ( -6.946 0.000 17.621) 18.941 14.759 ( 16.264 0.000 8.052) 18.148 15.124 ( 21.997 0.000 -10.958) 24.575 15.292 ( -12.328 0.000 -8.358) 14.894 15.945 ( -10.973 0.000 -4.946) 12.037 16.062 ( 9.151 0.000 7.911) 12.096 16.281 ( -24.967 0.000 -6.096) 25.701 16.533 ( -3.220 0.000 -11.118) 11.575 16.763 ( -19.623 0.000 2.153) 19.741 16.935 ( -21.305 0.000 -4.895) 21.860 17.364 ( 15.094 0.000 0.703) 15.111 17.652 ( 6.442 0.000 -10.395) 12.230 18.172 ( -22.481 0.000 -3.687) 22.781 18.174 ( -15.648 0.000 -4.456) 16.270 19.861 ( 10.446 0.000 15.688) 18.848 20.167 ( -2.555 0.000 10.049) 10.369 20.490 ( 4.851 0.000 -11.920) 12.869 20.631 ( -1.130 0.000 -15.065) 15.108 20.979 ( -6.252 0.000 12.618) 14.081 21.054 ( -11.094 0.000 11.827) 16.216 21.474 ( -3.068 0.000 -12.890) 13.250 21.609 ( -10.820 0.000 -16.023) 19.334 ======================= Grid point 225 (78/108) ======================= q-point: (-0.50 0.00 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.109 ( -5.122 0.000 4.047) 6.528 3.109 ( 5.122 0.000 4.047) 6.528 3.164 ( -4.068 0.000 5.396) 6.758 3.164 ( 4.068 0.000 5.396) 6.758 3.285 ( -12.821 0.000 2.874) 13.139 3.285 ( 12.821 0.000 2.874) 13.139 3.290 ( -8.759 0.000 -3.129) 9.301 3.290 ( 8.759 0.000 -3.129) 9.301 3.499 ( -8.074 0.000 -9.159) 12.210 3.499 ( 8.074 0.000 -9.159) 12.210 3.590 ( -10.099 0.000 -13.929) 17.205 3.590 ( 10.099 0.000 -13.929) 17.205 4.203 ( -16.609 0.000 15.217) 22.526 4.203 ( 16.609 0.000 15.217) 22.526 4.860 ( -18.182 0.000 -15.604) 23.960 4.860 ( 18.182 0.000 -15.604) 23.960 5.711 ( -14.384 0.000 5.397) 15.363 5.711 ( 14.384 0.000 5.397) 15.363 5.919 ( -3.322 0.000 -4.628) 5.697 5.919 ( 3.322 0.000 -4.628) 5.697 6.487 ( -2.628 0.000 6.172) 6.709 6.487 ( 2.628 0.000 6.172) 6.709 6.559 ( -6.076 0.000 2.348) 6.514 6.559 ( 6.076 0.000 2.348) 6.514 8.274 ( -11.892 0.000 3.158) 12.304 8.274 ( 11.892 0.000 3.158) 12.304 8.326 ( -10.629 0.000 0.779) 10.658 8.326 ( 10.629 0.000 0.779) 10.658 8.988 ( -13.604 0.000 13.732) 19.330 8.988 ( 13.604 0.000 13.732) 19.330 9.330 ( -13.599 0.000 -4.373) 14.285 9.330 ( 13.599 0.000 -4.373) 14.285 11.434 ( -5.413 0.000 4.646) 7.133 11.434 ( 5.413 0.000 4.646) 7.133 11.558 ( -7.555 0.000 -2.590) 7.986 11.558 ( 7.555 0.000 -2.590) 7.986 11.980 ( -7.872 0.000 17.597) 19.277 11.980 ( 7.872 0.000 17.597) 19.277 12.189 ( -6.938 0.000 7.334) 10.096 12.189 ( 6.938 0.000 7.334) 10.096 12.759 ( -13.162 0.000 12.015) 17.822 12.759 ( 13.162 0.000 12.015) 17.822 13.203 ( -12.370 0.000 -6.951) 14.189 13.203 ( 12.370 0.000 -6.951) 14.189 13.774 ( -13.337 0.000 4.279) 14.007 13.774 ( 13.337 0.000 4.279) 14.007 13.826 ( -3.861 0.000 -4.924) 6.257 13.826 ( 3.861 0.000 -4.924) 6.257 14.456 ( -12.621 0.000 16.038) 20.409 14.456 ( 12.621 0.000 16.038) 20.409 14.907 ( -13.169 0.000 -3.577) 13.646 14.907 ( 13.169 0.000 -3.577) 13.646 15.476 ( -32.872 0.000 -0.284) 32.874 15.476 ( 32.872 0.000 -0.284) 32.874 15.692 ( -31.873 0.000 -3.237) 32.037 15.692 ( 31.873 0.000 -3.237) 32.037 16.363 ( -19.226 0.000 2.311) 19.364 16.363 ( 19.226 0.000 2.311) 19.364 16.603 ( -10.452 0.000 -8.702) 13.601 16.603 ( 10.452 0.000 -8.702) 13.601 17.731 ( -21.017 0.000 -2.060) 21.118 17.731 ( 21.017 0.000 -2.060) 21.118 17.867 ( -14.193 0.000 -7.716) 16.155 17.867 ( 14.193 0.000 -7.716) 16.155 20.061 ( -8.395 0.000 12.131) 14.752 20.061 ( 8.395 0.000 12.131) 14.752 20.582 ( -3.864 0.000 -12.781) 13.352 20.582 ( 3.864 0.000 -12.781) 13.352 20.923 ( -1.501 0.000 12.351) 12.442 20.923 ( 1.501 0.000 12.351) 12.442 21.468 ( -3.099 0.000 -15.354) 15.664 21.468 ( 3.099 0.000 -15.354) 15.664 ======================= Grid point 231 (79/108) ======================= q-point: ( 0.00 0.20 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( 0.000 5.774 26.022) 26.655 2.468 ( 0.000 1.047 21.774) 21.799 2.745 ( 0.000 -1.765 8.012) 8.204 3.054 ( 0.000 2.310 -10.177) 10.436 3.107 ( 0.000 -5.834 0.833) 5.893 3.234 ( 0.000 -2.645 4.336) 5.079 3.427 ( 0.000 6.971 -20.878) 22.011 3.616 ( 0.000 6.452 -1.847) 6.711 3.686 ( 0.000 4.777 -4.243) 6.389 3.783 ( 0.000 -1.803 -6.592) 6.834 4.222 ( 0.000 -7.298 8.191) 10.971 4.405 ( 0.000 -9.590 -2.223) 9.844 4.817 ( 0.000 7.410 33.252) 34.068 5.061 ( 0.000 -2.728 16.076) 16.306 5.356 ( 0.000 -5.035 18.373) 19.050 5.444 ( 0.000 6.460 21.761) 22.700 5.649 ( 0.000 -6.281 12.293) 13.805 5.734 ( 0.000 6.360 -16.796) 17.960 5.747 ( 0.000 -13.060 12.502) 18.079 6.031 ( 0.000 8.159 -8.596) 11.852 6.188 ( 0.000 1.513 -12.074) 12.169 6.200 ( 0.000 -0.091 -24.566) 24.566 6.254 ( 0.000 -0.698 -5.051) 5.099 6.336 ( 0.000 3.491 -18.033) 18.368 6.895 ( 0.000 5.333 2.656) 5.958 7.268 ( 0.000 14.357 -12.871) 19.282 7.415 ( 0.000 -4.478 11.324) 12.177 7.990 ( 0.000 -4.196 -16.861) 17.375 8.957 ( 0.000 2.223 19.586) 19.712 9.111 ( 0.000 -2.364 6.133) 6.573 9.321 ( 0.000 3.005 -3.865) 4.896 9.493 ( 0.000 -3.004 -7.550) 8.126 10.095 ( 0.000 3.208 6.750) 7.474 10.267 ( 0.000 0.454 5.061) 5.082 10.401 ( 0.000 4.340 -7.931) 9.041 10.423 ( 0.000 2.441 -3.325) 4.125 11.279 ( 0.000 3.841 0.497) 3.873 11.323 ( 0.000 2.472 -1.686) 2.992 11.508 ( 0.000 7.731 21.406) 22.760 11.673 ( 0.000 -7.280 10.928) 13.131 11.862 ( 0.000 -0.189 7.717) 7.719 12.301 ( 0.000 -1.610 15.456) 15.539 12.512 ( 0.000 -2.740 -16.506) 16.732 12.658 ( 0.000 0.672 3.962) 4.019 12.874 ( 0.000 -8.393 5.202) 9.875 13.134 ( 0.000 8.695 -0.501) 8.710 13.288 ( 0.000 -9.742 9.029) 13.283 13.572 ( 0.000 -1.946 10.181) 10.365 14.076 ( 0.000 2.692 2.903) 3.959 14.296 ( 0.000 -3.965 8.937) 9.777 14.457 ( 0.000 2.787 -6.674) 7.232 14.518 ( 0.000 3.400 2.003) 3.946 15.135 ( 0.000 2.233 7.935) 8.243 15.512 ( 0.000 -7.657 7.472) 10.699 16.040 ( 0.000 1.644 -27.006) 27.056 16.148 ( 0.000 -1.122 -18.126) 18.160 16.662 ( 0.000 15.514 13.485) 20.556 17.327 ( 0.000 -4.821 0.273) 4.828 17.374 ( 0.000 -0.622 -2.785) 2.853 17.527 ( 0.000 0.081 -22.200) 22.200 17.606 ( 0.000 1.636 1.035) 1.936 17.872 ( 0.000 3.036 -7.686) 8.264 18.568 ( 0.000 -19.783 7.785) 21.260 18.951 ( 0.000 -19.644 -11.126) 22.576 19.728 ( 0.000 5.610 26.935) 27.513 20.137 ( 0.000 -6.393 10.293) 12.117 20.518 ( 0.000 10.275 -8.986) 13.651 20.762 ( 0.000 0.742 -25.393) 25.403 21.585 ( 0.000 1.988 8.763) 8.986 21.820 ( 0.000 -1.869 15.238) 15.353 21.917 ( 0.000 13.223 -9.212) 16.115 22.423 ( 0.000 -2.495 -16.026) 16.219 ======================= Grid point 232 (80/108) ======================= q-point: ( 0.10 0.20 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.483 ( 6.253 5.142 23.445) 24.804 2.541 ( 6.841 1.080 21.129) 22.235 2.764 ( 1.871 -2.003 7.629) 8.106 3.082 ( 2.871 3.530 -9.943) 10.935 3.164 ( 4.290 -7.030 8.303) 11.694 3.269 ( 3.592 -2.358 -5.325) 6.842 3.433 ( 0.523 5.237 -17.654) 18.421 3.585 ( -2.656 5.628 -1.747) 6.464 3.656 ( -2.719 4.471 -4.874) 7.151 3.783 ( -0.362 -1.091 -5.993) 6.102 4.180 ( -4.588 -7.291 6.612) 10.859 4.317 ( -8.524 -8.116 -1.647) 11.884 4.814 ( -4.193 7.734 23.785) 25.360 4.894 ( -9.288 -0.265 21.022) 22.984 5.203 ( -10.018 -1.955 17.675) 20.410 5.331 ( -21.636 2.704 -7.432) 23.036 5.522 ( 1.890 0.253 15.932) 16.045 5.742 ( 0.828 -11.504 13.587) 17.823 5.902 ( 5.458 1.345 -4.066) 6.938 5.980 ( -3.275 3.470 -5.818) 7.524 6.161 ( 4.300 1.170 -14.241) 14.922 6.273 ( 3.359 -2.250 -6.569) 7.714 6.310 ( 7.305 3.021 -15.144) 17.083 6.461 ( 3.822 0.988 -16.879) 17.334 7.016 ( 13.025 6.718 5.735) 15.737 7.351 ( 8.123 13.574 -10.522) 18.999 7.538 ( 11.701 -4.050 10.970) 16.543 8.074 ( 8.164 -4.437 -15.428) 18.010 8.884 ( -4.839 4.216 15.480) 16.758 9.150 ( -1.104 -1.662 5.084) 5.461 9.265 ( -1.876 2.182 1.023) 3.054 9.551 ( 3.757 -4.913 -6.377) 8.883 10.358 ( 25.182 3.279 6.553) 26.227 10.489 ( 20.348 2.310 3.850) 20.838 10.597 ( 17.989 2.334 -2.678) 18.337 10.665 ( 22.353 3.397 -5.563) 23.284 11.320 ( 0.932 5.437 7.388) 9.220 11.387 ( 10.484 1.583 0.478) 10.614 11.637 ( 11.880 3.407 11.162) 16.653 11.717 ( 5.300 -7.273 9.713) 13.241 11.907 ( 5.580 1.084 8.903) 10.563 12.278 ( -1.644 -4.321 11.454) 12.352 12.540 ( 1.160 -2.531 -7.764) 8.248 12.687 ( 3.882 2.863 1.355) 5.010 12.853 ( -1.434 -7.985 1.379) 8.229 13.102 ( -2.399 9.225 -0.774) 9.563 13.341 ( 4.296 -9.473 8.366) 13.349 13.575 ( -0.041 -1.122 11.424) 11.479 14.053 ( -1.949 1.933 2.023) 3.410 14.236 ( -4.813 -3.217 10.069) 11.614 14.435 ( -0.465 5.168 -0.301) 5.197 14.589 ( 4.936 0.761 -4.749) 6.892 15.081 ( -4.938 3.419 7.878) 9.906 15.564 ( 4.405 -9.129 8.259) 13.075 16.006 ( -3.450 2.370 -27.343) 27.661 16.167 ( 1.174 -0.957 -14.742) 14.820 16.640 ( -1.448 13.759 8.930) 16.467 17.167 ( -13.162 0.433 -6.081) 14.505 17.317 ( -3.842 -3.861 -0.020) 5.447 17.502 ( -4.888 -3.124 -4.789) 7.522 17.619 ( -0.875 -0.399 -7.136) 7.201 17.871 ( -0.079 5.549 -10.317) 11.715 18.552 ( -1.892 -18.589 6.544) 19.798 18.898 ( -5.402 -18.511 -9.903) 21.677 19.713 ( -1.161 6.320 26.271) 27.045 20.135 ( -0.065 -6.337 10.289) 12.085 20.500 ( -1.585 9.674 -9.203) 13.446 20.737 ( -2.233 0.914 -24.052) 24.173 21.539 ( -4.653 2.764 8.263) 9.878 21.756 ( -6.301 -1.541 14.520) 15.903 21.860 ( -5.298 11.509 -8.461) 15.235 22.343 ( -7.773 -2.552 -15.682) 17.688 ======================= Grid point 233 (81/108) ======================= q-point: ( 0.20 0.20 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.631 ( 8.060 4.223 18.104) 20.262 2.714 ( 9.860 0.385 18.540) 21.002 2.822 ( 3.944 -1.880 6.179) 7.567 3.161 ( 4.454 4.146 -8.766) 10.671 3.208 ( 0.344 -4.868 11.429) 12.427 3.365 ( 4.392 -4.150 -10.623) 12.221 3.427 ( -2.263 0.473 -8.981) 9.273 3.546 ( -1.095 5.469 -1.479) 5.770 3.600 ( -1.944 3.516 -7.203) 8.248 3.768 ( -0.130 -0.598 -6.080) 6.110 4.038 ( -8.861 -5.097 3.332) 10.752 4.094 ( -12.861 -5.108 -0.275) 13.841 4.516 ( -17.027 1.042 -0.778) 17.077 4.827 ( -23.965 7.176 -7.254) 26.047 4.963 ( 7.239 8.838 33.255) 35.163 5.008 ( -12.029 -4.183 12.246) 17.668 5.471 ( -6.447 -10.496 -0.628) 12.334 5.793 ( 4.242 -2.108 11.188) 12.150 5.912 ( 3.387 0.629 -1.067) 3.606 6.104 ( 5.455 2.844 -2.869) 6.788 6.191 ( 1.102 0.481 -13.703) 13.756 6.327 ( 2.376 -1.206 -4.310) 5.068 6.465 ( 1.617 1.021 -9.053) 9.253 6.505 ( 6.454 1.285 -6.388) 9.172 7.362 ( 19.678 5.995 4.909) 21.148 7.574 ( 13.692 12.322 -6.040) 19.385 7.845 ( 18.159 -3.596 10.939) 21.502 8.294 ( 13.288 -4.662 -11.771) 18.354 8.794 ( -4.212 5.668 11.775) 13.731 9.030 ( -8.267 5.769 -0.601) 10.099 9.275 ( 0.494 -5.148 10.200) 11.436 9.602 ( 0.999 -7.122 -5.107) 8.821 10.903 ( 19.503 4.348 1.144) 20.014 10.933 ( 19.749 4.830 -0.044) 20.331 11.066 ( 32.130 2.034 4.822) 32.553 11.167 ( 22.183 -1.150 4.203) 22.607 11.409 ( 9.834 7.545 11.860) 17.155 11.609 ( 9.669 0.193 3.037) 10.136 11.900 ( 11.239 2.673 10.983) 15.941 12.000 ( 24.856 -9.360 4.562) 26.949 12.207 ( 27.332 0.151 4.764) 27.745 12.271 ( 3.210 -9.887 6.878) 12.465 12.524 ( -1.723 -1.501 -0.382) 2.317 12.782 ( 2.507 6.172 10.328) 12.290 12.902 ( 9.534 -6.548 -16.362) 20.037 13.088 ( 3.421 11.977 -3.313) 12.889 13.421 ( 2.740 -8.692 10.265) 13.727 13.561 ( -0.958 1.272 12.303) 12.406 14.020 ( -0.948 -0.016 -0.613) 1.129 14.146 ( -3.479 -2.091 13.578) 14.172 14.458 ( 2.920 5.590 2.551) 6.804 14.689 ( 4.970 -1.089 -10.277) 11.467 14.964 ( -6.105 5.820 9.910) 13.013 15.635 ( 0.987 -11.749 10.272) 15.638 15.912 ( -5.201 3.641 -26.319) 27.074 16.161 ( -1.881 2.041 -6.775) 7.322 16.640 ( 1.429 7.129 -2.829) 7.802 16.906 ( -12.168 1.645 -6.062) 13.693 17.194 ( -8.388 -6.679 1.280) 10.799 17.353 ( -9.605 -4.255 -2.374) 10.770 17.535 ( -6.929 0.428 -2.858) 7.507 17.832 ( -4.877 6.826 -11.488) 14.225 18.479 ( -5.767 -15.914 3.042) 17.198 18.732 ( -11.317 -15.857 -7.542) 20.891 19.706 ( 1.104 7.507 24.090) 25.257 20.139 ( 0.610 -5.507 10.368) 11.756 20.467 ( -1.403 7.755 -9.701) 12.499 20.689 ( -2.252 1.021 -20.465) 20.614 21.403 ( -8.637 4.788 7.603) 12.463 21.579 ( -11.200 -0.736 12.862) 17.071 21.729 ( -7.354 7.024 -8.272) 13.109 22.129 ( -13.201 -2.609 -15.079) 20.210 ======================= Grid point 234 (82/108) ======================= q-point: ( 0.30 0.20 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.800 ( 9.121 2.671 11.957) 15.274 2.897 ( 7.358 -1.196 11.111) 13.380 2.921 ( 6.265 0.316 7.452) 9.740 3.185 ( 0.236 -4.387 5.100) 6.732 3.275 ( 4.528 6.304 -8.800) 11.734 3.322 ( -5.686 -1.689 -3.800) 7.045 3.465 ( 2.213 -4.330 -2.239) 5.353 3.494 ( -2.287 6.667 -4.075) 8.141 3.551 ( -1.784 0.999 2.562) 3.278 3.747 ( -7.007 -1.590 -4.053) 8.250 3.823 ( -12.033 -3.146 0.964) 12.474 3.949 ( -1.187 0.362 -4.736) 4.896 4.242 ( -6.282 -4.627 -12.124) 14.418 4.344 ( -22.382 11.677 -12.327) 28.094 4.735 ( -14.944 -7.996 12.984) 21.350 5.189 ( 13.149 9.546 26.516) 31.099 5.299 ( -10.141 -15.470 -11.352) 21.703 5.880 ( 3.753 4.592 8.344) 10.237 6.001 ( 3.662 1.147 -4.203) 5.691 6.139 ( -1.216 2.641 -4.986) 5.772 6.237 ( 3.574 0.903 -4.421) 5.756 6.385 ( 3.295 1.181 -2.202) 4.136 6.471 ( 0.833 -0.530 2.022) 2.250 6.620 ( 3.468 -0.816 -2.268) 4.223 7.748 ( 18.452 5.517 3.788) 19.628 7.871 ( 15.549 11.300 -2.625) 19.400 8.225 ( 19.156 -3.620 11.171) 22.468 8.565 ( 11.956 -2.586 -5.978) 13.615 8.709 ( -4.562 5.821 7.929) 10.843 8.874 ( -5.724 5.305 -1.408) 7.931 9.251 ( -3.166 -6.658 12.250) 14.297 9.580 ( -3.483 -9.022 -3.971) 10.455 11.174 ( 9.144 3.258 1.833) 9.879 11.200 ( 10.210 3.202 0.275) 10.704 11.426 ( 7.546 2.224 6.415) 10.150 11.544 ( 7.360 -5.527 2.190) 9.461 11.690 ( 15.774 1.483 14.213) 21.285 11.877 ( 14.789 7.341 7.714) 18.224 12.078 ( 8.191 5.989 17.218) 19.985 12.263 ( 2.455 -11.896 9.233) 15.257 12.451 ( 1.770 -3.467 -0.568) 3.934 12.714 ( 27.321 -4.102 8.075) 28.783 12.794 ( 12.535 0.731 -12.828) 17.950 12.959 ( 27.406 4.353 10.453) 29.653 13.156 ( 15.526 -1.023 -12.752) 20.117 13.350 ( 13.987 4.643 -4.066) 15.288 13.489 ( 11.808 -2.773 4.861) 13.067 13.596 ( 11.225 1.537 12.387) 16.787 14.001 ( -1.740 -1.117 1.764) 2.717 14.128 ( 2.239 -0.493 12.561) 12.768 14.557 ( 7.059 3.392 3.641) 8.637 14.795 ( 6.120 -3.512 -11.327) 13.345 14.860 ( -3.790 8.110 12.862) 15.671 15.554 ( -8.383 -4.039 1.374) 9.406 15.851 ( -0.028 -2.453 -10.348) 10.635 16.118 ( -2.257 3.078 -4.327) 5.770 16.617 ( -7.099 0.981 -9.270) 11.717 16.692 ( -9.599 1.769 -7.242) 12.154 17.008 ( -10.264 -7.839 -0.107) 12.915 17.147 ( -10.324 -7.136 -3.994) 13.170 17.376 ( -7.314 6.310 2.108) 9.887 17.690 ( -7.455 5.210 -8.569) 12.497 18.314 ( -10.783 -13.017 -1.374) 16.959 18.447 ( -17.091 -12.624 -5.515) 21.952 19.777 ( 6.243 7.768 20.075) 22.413 20.162 ( 1.602 -2.917 10.560) 11.072 20.457 ( 0.573 4.450 -9.155) 10.195 20.653 ( -1.534 0.304 -15.328) 15.407 21.218 ( -9.307 6.215 6.699) 13.043 21.330 ( -13.032 1.031 10.311) 16.650 21.581 ( -7.184 2.177 -9.756) 12.310 21.844 ( -14.659 -2.631 -14.978) 21.122 ======================= Grid point 235 (83/108) ======================= q-point: ( 0.40 0.20 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.988 ( 8.997 -0.070 7.624) 11.793 3.016 ( 5.517 -0.264 4.101) 6.879 3.063 ( 8.222 0.931 8.795) 12.076 3.199 ( -1.750 0.342 2.103) 2.757 3.237 ( -0.596 0.675 -2.501) 2.658 3.313 ( -1.261 0.378 -2.165) 2.534 3.373 ( -3.805 1.711 -0.974) 4.284 3.507 ( -7.690 -0.588 3.635) 8.526 3.526 ( -3.343 6.128 -8.736) 11.183 3.576 ( -2.285 4.343 -5.725) 7.540 3.730 ( -14.001 0.978 -6.270) 15.372 3.785 ( 9.183 -8.254 7.190) 14.288 3.983 ( -13.985 13.579 -15.729) 25.047 4.350 ( 0.050 -12.577 0.602) 12.592 4.464 ( -1.365 -8.316 -4.006) 9.331 5.044 ( -14.253 -14.568 -16.559) 26.260 5.485 ( 14.895 8.026 17.401) 24.271 5.917 ( -1.421 6.778 4.706) 8.373 6.024 ( -0.957 3.832 -3.507) 5.282 6.067 ( -4.143 6.850 -6.108) 10.070 6.346 ( 6.400 -2.092 4.123) 7.895 6.454 ( 3.142 -0.328 2.174) 3.835 6.495 ( 1.535 -1.143 5.073) 5.422 6.637 ( -1.654 -1.058 -0.213) 1.975 8.083 ( 15.115 6.486 3.690) 16.857 8.171 ( 14.060 9.855 -0.871) 17.192 8.521 ( 1.199 3.161 6.756) 7.555 8.592 ( -7.382 9.255 1.699) 11.959 8.659 ( 8.213 -1.863 10.115) 13.162 8.970 ( 13.182 -6.645 -5.557) 15.774 9.140 ( -8.119 -6.620 12.960) 16.664 9.458 ( -8.742 -9.621 -3.274) 13.405 11.322 ( 6.620 1.758 4.578) 8.239 11.385 ( 8.261 0.737 -0.872) 8.340 11.507 ( 0.269 1.097 2.238) 2.507 11.596 ( -0.291 -4.901 -0.048) 4.910 11.868 ( 5.392 2.473 16.292) 17.338 12.069 ( 6.117 1.880 8.471) 10.616 12.125 ( -4.347 0.997 15.480) 16.110 12.256 ( -2.616 -6.091 8.064) 10.439 12.597 ( 11.749 7.616 7.375) 15.826 12.978 ( 11.843 4.499 -7.857) 14.908 13.021 ( -3.080 3.081 17.577) 18.109 13.279 ( 5.692 -6.170 2.946) 8.896 13.487 ( 15.013 3.796 -4.279) 16.066 13.633 ( 12.332 1.489 -13.027) 18.000 13.691 ( 15.264 -3.750 2.255) 15.878 13.932 ( -5.018 -2.734 0.278) 5.721 14.244 ( 10.075 3.060 13.920) 17.454 14.291 ( 36.333 -4.165 5.155) 36.933 14.695 ( 1.589 0.046 5.292) 5.525 14.824 ( 5.995 4.690 13.016) 15.078 15.014 ( 16.026 -3.704 -6.460) 17.672 15.406 ( -1.729 5.718 -2.358) 6.422 15.899 ( -1.369 -3.218 -7.621) 8.384 16.054 ( -0.550 -1.223 1.479) 1.996 16.298 ( -23.174 2.504 -3.304) 23.542 16.542 ( -4.371 0.820 -10.761) 11.644 16.734 ( -16.828 -2.724 -1.661) 17.128 16.883 ( -16.498 -5.857 -7.458) 19.029 17.392 ( 9.621 3.468 1.640) 10.358 17.632 ( 2.826 -1.066 -7.408) 8.000 18.059 ( -15.375 -10.104 -4.854) 19.028 18.074 ( -18.567 -8.873 -3.809) 20.928 19.944 ( 9.850 7.225 15.478) 19.718 20.188 ( 0.189 1.691 10.757) 10.891 20.486 ( 2.112 -0.358 -5.857) 6.236 20.611 ( -3.145 -2.038 -8.443) 9.238 21.061 ( -5.808 7.161 4.343) 10.192 21.102 ( -8.690 4.344 6.181) 11.515 21.459 ( -4.440 -1.412 -12.243) 13.100 21.579 ( -11.088 -2.957 -15.412) 19.215 ======================= Grid point 236 (84/108) ======================= q-point: (-0.50 0.20 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.100 ( -1.321 -0.527 4.581) 4.797 3.100 ( 1.321 -0.527 4.581) 4.797 3.181 ( -3.254 -2.022 5.598) 6.783 3.181 ( 3.254 -2.022 5.598) 6.783 3.256 ( -4.703 4.948 1.418) 6.972 3.256 ( 4.703 4.948 1.418) 6.972 3.364 ( -3.083 3.219 -0.967) 4.561 3.364 ( 3.083 3.219 -0.967) 4.561 3.464 ( -8.626 -1.663 -7.243) 11.386 3.464 ( 8.626 -1.663 -7.243) 11.386 3.740 ( -10.447 12.167 -15.919) 22.596 3.740 ( 10.447 12.167 -15.919) 22.596 4.071 ( -16.037 -11.685 13.385) 23.934 4.071 ( 16.037 -11.685 13.385) 23.934 4.736 ( -16.271 -12.079 -18.034) 27.127 4.736 ( 16.271 -12.079 -18.034) 27.127 5.763 ( -12.324 6.412 8.678) 16.380 5.763 ( 12.324 6.412 8.678) 16.380 6.024 ( -1.245 7.570 -3.781) 8.553 6.024 ( 1.245 7.570 -3.781) 8.553 6.448 ( -3.247 -2.939 6.627) 7.944 6.448 ( 3.247 -2.939 6.627) 7.944 6.568 ( -4.603 -0.231 0.971) 4.710 6.568 ( 4.603 -0.231 0.971) 4.710 8.352 ( -11.824 7.191 3.931) 14.387 8.352 ( 11.824 7.191 3.931) 14.387 8.417 ( -10.265 9.128 0.598) 13.750 8.417 ( 10.265 9.128 0.598) 13.750 8.928 ( -13.064 -5.879 12.744) 19.174 8.928 ( 13.064 -5.879 12.744) 19.174 9.240 ( -12.804 -8.753 -3.784) 15.965 9.240 ( 12.804 -8.753 -3.784) 15.965 11.441 ( -4.805 0.678 3.980) 6.276 11.441 ( 4.805 0.678 3.980) 6.276 11.536 ( -5.302 -1.935 -1.772) 5.915 11.536 ( 5.302 -1.935 -1.772) 5.915 11.992 ( -7.076 1.417 15.318) 16.933 11.992 ( 7.076 1.417 15.318) 16.933 12.177 ( -4.746 -1.501 7.197) 8.751 12.177 ( 4.746 -1.501 7.197) 8.751 12.840 ( -11.770 7.525 13.338) 19.314 12.840 ( 11.770 7.525 13.338) 19.314 13.210 ( -9.547 0.229 -2.572) 9.890 13.210 ( 9.547 0.229 -2.572) 9.890 13.755 ( -9.712 -1.556 0.399) 9.844 13.755 ( 9.712 -1.556 0.399) 9.844 13.823 ( -3.777 -0.767 -5.438) 6.665 13.823 ( 3.777 -0.767 -5.438) 6.665 14.475 ( -10.608 2.211 15.360) 18.797 14.475 ( 10.608 2.211 15.360) 18.797 14.840 ( -9.881 -6.096 -1.098) 11.662 14.840 ( 9.881 -6.096 -1.098) 11.662 15.492 ( -26.141 2.389 1.718) 26.306 15.492 ( 26.141 2.389 1.718) 26.306 15.739 ( -24.314 2.577 -4.478) 24.857 15.739 ( 24.314 2.577 -4.478) 24.857 16.327 ( -18.485 -1.418 1.177) 18.577 16.327 ( 18.485 -1.418 1.177) 18.577 16.616 ( -8.034 -0.201 -10.938) 13.573 16.616 ( 8.034 -0.201 -10.938) 13.573 17.674 ( -16.290 -4.518 -1.723) 16.993 17.674 ( 16.290 -4.518 -1.723) 16.993 17.799 ( -10.345 -6.022 -6.908) 13.821 17.799 ( 10.345 -6.022 -6.908) 13.821 20.126 ( -6.975 6.038 12.066) 15.189 20.126 ( 6.975 6.038 12.066) 15.189 20.538 ( -3.351 -4.055 -3.332) 6.227 20.538 ( 3.351 -4.055 -3.332) 6.227 21.008 ( -0.858 7.499 2.663) 8.004 21.008 ( 0.858 7.499 2.663) 8.004 21.436 ( -2.821 -3.199 -14.768) 15.371 21.436 ( 2.821 -3.199 -14.768) 15.371 ======================= Grid point 242 (85/108) ======================= q-point: ( 0.00 0.40 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( 0.000 1.661 18.290) 18.366 2.510 ( 0.000 1.708 18.363) 18.442 2.778 ( 0.000 6.492 19.826) 20.862 2.957 ( 0.000 -9.142 17.561) 19.798 3.096 ( 0.000 2.172 -12.477) 12.664 3.156 ( 0.000 -3.956 -8.983) 9.815 3.600 ( 0.000 8.192 -18.718) 20.432 3.721 ( 0.000 -4.370 -11.033) 11.867 3.760 ( 0.000 9.638 0.347) 9.644 3.876 ( 0.000 12.794 -5.200) 13.810 4.008 ( 0.000 -13.019 1.086) 13.064 4.154 ( 0.000 -14.186 -5.485) 15.210 5.027 ( 0.000 12.120 33.014) 35.168 5.114 ( 0.000 8.206 18.308) 20.063 5.221 ( 0.000 -7.987 21.744) 23.164 5.393 ( 0.000 -16.613 22.737) 28.160 5.539 ( 0.000 3.291 18.461) 18.752 5.599 ( 0.000 -3.336 13.903) 14.297 5.904 ( 0.000 9.599 -14.382) 17.291 6.081 ( 0.000 -6.863 -13.463) 15.112 6.183 ( 0.000 3.254 -13.549) 13.934 6.208 ( 0.000 0.351 -20.662) 20.665 6.298 ( 0.000 3.217 -14.596) 14.946 6.356 ( 0.000 -1.580 -19.666) 19.730 7.069 ( 0.000 10.781 9.384) 14.293 7.278 ( 0.000 -9.097 11.241) 14.461 7.588 ( 0.000 15.614 -15.995) 22.352 7.850 ( 0.000 -9.985 -16.927) 19.652 9.009 ( 0.000 2.698 15.570) 15.802 9.062 ( 0.000 -2.527 10.874) 11.164 9.379 ( 0.000 2.638 -4.995) 5.649 9.432 ( 0.000 -2.773 -5.840) 6.465 10.179 ( 0.000 4.626 7.638) 8.929 10.254 ( 0.000 -2.267 6.942) 7.303 10.471 ( 0.000 1.722 -3.932) 4.293 10.472 ( 0.000 1.909 -6.296) 6.579 11.374 ( 0.000 5.656 3.010) 6.407 11.442 ( 0.000 9.116 -1.495) 9.238 11.514 ( 0.000 -7.921 7.286) 10.762 11.610 ( 0.000 -3.662 1.656) 4.019 11.915 ( 0.000 10.623 16.335) 19.485 12.180 ( 0.000 -11.115 12.306) 16.582 12.488 ( 0.000 1.414 -8.222) 8.343 12.587 ( 0.000 -7.981 -4.982) 9.408 12.847 ( 0.000 7.852 16.885) 18.621 13.060 ( 0.000 -11.920 12.613) 17.355 13.329 ( 0.000 9.658 -1.243) 9.738 13.493 ( 0.000 -6.187 2.086) 6.529 14.140 ( 0.000 3.569 7.967) 8.730 14.216 ( 0.000 -3.917 10.348) 11.064 14.522 ( 0.000 3.100 -5.130) 5.994 14.557 ( 0.000 0.044 -2.739) 2.739 15.209 ( 0.000 5.315 11.536) 12.702 15.347 ( 0.000 -8.053 11.971) 14.428 16.081 ( 0.000 2.148 -24.689) 24.782 16.119 ( 0.000 -1.651 -21.180) 21.244 16.988 ( 0.000 14.153 6.817) 15.709 17.198 ( 0.000 -7.800 2.233) 8.113 17.388 ( 0.000 2.599 -8.180) 8.583 17.475 ( 0.000 -4.932 -15.741) 16.496 17.711 ( 0.000 11.911 6.051) 13.360 18.081 ( 0.000 17.012 -13.174) 21.517 18.099 ( 0.000 -24.162 7.118) 25.189 18.498 ( 0.000 -23.162 -12.582) 26.359 19.865 ( 0.000 7.389 24.004) 25.115 20.009 ( 0.000 -6.676 18.681) 19.838 20.687 ( 0.000 6.106 -15.595) 16.748 20.761 ( 0.000 -1.457 -21.293) 21.343 21.666 ( 0.000 5.116 12.684) 13.677 21.761 ( 0.000 -3.974 14.507) 15.042 22.169 ( 0.000 10.864 -14.154) 17.843 22.339 ( 0.000 -6.082 -15.764) 16.897 ======================= Grid point 243 (86/108) ======================= q-point: ( 0.10 0.40 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.559 ( 5.858 1.834 17.626) 18.664 2.577 ( 6.083 0.929 16.963) 18.044 2.796 ( 1.702 6.744 18.820) 20.064 2.985 ( 2.127 -10.029 17.728) 20.479 3.144 ( 4.549 2.338 -11.572) 12.652 3.201 ( 4.279 -3.530 -10.633) 11.993 3.581 ( -2.128 7.720 -16.461) 18.305 3.668 ( -4.200 0.604 -5.225) 6.730 3.766 ( -0.179 4.287 -5.821) 7.232 3.843 ( -3.159 11.458 -4.795) 12.816 3.972 ( -3.606 -12.439 -0.106) 12.952 4.095 ( -5.799 -12.696 -4.877) 14.785 4.943 ( -13.265 6.688 16.384) 22.117 5.069 ( 2.751 14.499 30.023) 33.454 5.097 ( -10.639 -7.513 16.647) 21.137 5.349 ( -6.140 -7.528 16.805) 19.411 5.479 ( -9.429 -1.981 5.127) 10.914 5.536 ( -3.014 -4.824 12.799) 14.006 5.972 ( 4.420 4.841 -5.129) 8.323 6.030 ( 0.118 0.314 -8.547) 8.554 6.173 ( 1.553 0.302 -15.569) 15.650 6.205 ( 2.130 -3.363 -10.084) 10.842 6.392 ( 6.422 4.187 -15.091) 16.927 6.455 ( 4.476 -1.782 -15.842) 16.558 7.202 ( 12.773 10.577 9.201) 18.965 7.401 ( 11.655 -8.448 10.747) 17.964 7.669 ( 7.999 15.245 -13.864) 22.104 7.930 ( 7.815 -10.131 -15.219) 19.883 8.986 ( -1.805 5.450 13.968) 15.102 9.087 ( 1.525 -4.327 11.579) 12.454 9.336 ( -4.080 4.606 -3.891) 7.280 9.440 ( 0.234 -5.592 -5.029) 7.524 10.440 ( 24.887 4.267 7.182) 26.252 10.502 ( 23.543 -1.391 6.244) 24.396 10.666 ( 18.445 3.525 -2.811) 18.988 10.706 ( 20.365 0.017 -3.974) 20.749 11.433 ( 6.599 4.495 2.876) 8.486 11.481 ( 3.233 7.843 1.150) 8.561 11.567 ( 6.339 -6.006 4.934) 10.030 11.661 ( 5.679 -4.598 -0.062) 7.308 11.971 ( 6.084 8.314 15.267) 18.418 12.164 ( -1.416 -7.743 12.085) 14.422 12.501 ( 0.786 0.216 -5.486) 5.546 12.599 ( 1.701 -9.268 -6.595) 11.501 12.873 ( 2.903 9.280 15.198) 18.042 13.092 ( 2.987 -11.398 12.355) 17.073 13.336 ( 0.962 9.974 -2.066) 10.231 13.506 ( 1.295 -6.104 1.893) 6.521 14.105 ( -3.156 3.243 8.564) 9.686 14.174 ( -3.688 -3.281 11.842) 12.830 14.531 ( 1.079 4.091 -3.807) 5.692 14.588 ( 2.673 -1.364 -5.266) 6.061 15.187 ( -2.139 7.194 12.063) 14.207 15.364 ( 1.205 -9.963 12.660) 16.155 16.066 ( -1.456 3.367 -24.722) 24.993 16.129 ( 0.766 -2.658 -20.333) 20.520 16.938 ( -4.460 13.604 4.254) 14.935 17.132 ( -6.564 -5.500 0.502) 8.578 17.265 ( -10.339 1.420 -5.936) 12.006 17.381 ( -8.724 -8.269 -12.466) 17.318 17.725 ( 0.375 12.803 5.123) 13.795 18.054 ( -2.001 -0.871 -1.994) 2.956 18.146 ( 2.461 -6.196 -5.116) 8.404 18.478 ( -2.405 -21.180 -11.825) 24.376 19.859 ( -0.381 7.617 23.534) 24.739 20.005 ( -0.118 -6.803 18.394) 19.612 20.664 ( -2.131 6.067 -15.138) 16.447 20.738 ( -2.106 -1.426 -20.128) 20.288 21.621 ( -4.484 4.687 11.450) 13.160 21.706 ( -5.488 -3.462 13.562) 15.035 22.093 ( -7.374 10.414 -13.211) 18.367 22.259 ( -7.818 -6.077 -15.135) 18.086 ======================= Grid point 244 (87/108) ======================= q-point: ( 0.20 0.40 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.705 ( 7.977 1.809 14.985) 17.072 2.725 ( 8.254 0.002 15.698) 17.736 2.846 ( 3.637 6.005 15.445) 16.966 3.020 ( 1.490 -9.662 15.299) 18.156 3.260 ( 6.256 1.648 -9.370) 11.386 3.296 ( 3.678 -2.556 -10.451) 11.371 3.507 ( -4.733 7.784 -9.391) 13.083 3.606 ( -0.712 -0.191 -6.395) 6.438 3.742 ( -3.618 7.392 -8.511) 11.840 3.759 ( -3.519 2.813 -3.462) 5.682 3.876 ( -5.503 -9.993 -2.580) 11.696 3.939 ( -9.355 -8.825 -3.137) 13.238 4.631 ( -16.872 9.503 7.686) 20.834 4.843 ( -14.519 -10.112 9.990) 20.319 5.017 ( -18.675 10.304 -5.428) 22.009 5.190 ( 0.204 3.822 18.082) 18.483 5.285 ( -6.752 0.564 5.207) 8.545 5.562 ( 6.762 -15.489 20.634) 26.672 6.045 ( 5.305 7.686 -2.881) 9.773 6.142 ( 5.878 -0.635 -4.171) 7.236 6.214 ( 2.850 1.557 -8.561) 9.156 6.268 ( 3.047 -3.698 -4.174) 6.355 6.493 ( 2.288 1.649 -10.896) 11.255 6.517 ( 3.568 -0.354 -9.305) 9.972 7.528 ( 18.729 9.497 8.226) 22.553 7.702 ( 17.608 -6.423 9.780) 21.141 7.890 ( 13.644 13.522 -8.940) 21.188 8.144 ( 13.165 -10.349 -11.333) 20.220 8.940 ( -2.879 8.270 11.941) 14.808 9.098 ( -0.699 -5.534 10.903) 12.247 9.229 ( -6.408 7.084 -1.513) 9.672 9.422 ( -2.308 -10.091 -3.783) 11.021 11.013 ( 22.332 5.631 3.369) 23.276 11.034 ( 21.952 4.524 2.312) 22.533 11.091 ( 25.073 -0.455 3.785) 25.361 11.122 ( 19.402 -3.386 4.047) 20.107 11.564 ( 6.703 7.255 6.865) 12.029 11.706 ( 20.757 7.866 2.244) 22.311 11.758 ( 12.309 -8.617 5.410) 15.970 11.922 ( 22.663 -7.085 -1.973) 23.827 12.139 ( -0.467 -0.101 12.148) 12.158 12.185 ( 15.330 -2.265 9.189) 18.017 12.530 ( 4.944 3.635 -4.925) 7.868 12.683 ( 7.473 -10.246 -7.717) 14.845 12.976 ( 7.714 9.306 10.644) 16.106 13.172 ( 5.110 -8.920 11.761) 15.620 13.386 ( 4.819 9.896 -3.021) 11.414 13.544 ( 2.607 -4.214 2.163) 5.406 14.037 ( -3.037 2.130 8.539) 9.310 14.096 ( -3.422 -3.057 14.780) 15.476 14.569 ( 2.684 4.989 -3.461) 6.639 14.649 ( 3.217 -2.930 -8.717) 9.743 15.130 ( -3.344 10.393 14.380) 18.055 15.372 ( -0.665 -13.277 14.863) 19.941 16.020 ( -3.298 6.310 -24.127) 25.156 16.134 ( -0.663 -4.234 -18.101) 18.602 16.834 ( -5.796 10.682 -1.292) 12.221 16.956 ( -10.057 2.698 -4.161) 11.213 17.043 ( -11.270 -5.664 -1.456) 12.697 17.169 ( -11.648 -11.824 -9.310) 19.031 17.695 ( -3.720 14.171 5.373) 15.605 17.973 ( -6.629 -1.459 0.418) 6.801 18.154 ( -2.359 -5.772 -7.805) 9.990 18.382 ( -7.640 -17.197 -9.917) 21.271 19.867 ( 1.725 8.008 21.784) 23.273 20.017 ( 1.587 -6.733 17.290) 18.622 20.612 ( -2.829 5.890 -13.300) 14.818 20.688 ( -2.645 -1.649 -16.725) 17.013 21.494 ( -7.927 3.826 8.136) 11.987 21.552 ( -9.532 -1.999 10.783) 14.530 21.898 ( -11.580 8.630 -11.538) 18.485 22.046 ( -13.014 -5.791 -13.931) 19.924 ======================= Grid point 245 (88/108) ======================= q-point: ( 0.30 0.40 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.852 ( 6.846 1.738 11.128) 13.180 2.880 ( 6.526 -1.060 12.848) 14.450 2.958 ( 7.709 4.641 11.721) 14.777 3.078 ( 5.373 -6.113 10.514) 13.296 3.292 ( -2.907 0.171 -5.533) 6.252 3.340 ( 0.336 -4.811 -4.554) 6.633 3.465 ( 0.307 9.566 -3.273) 10.115 3.574 ( -5.528 0.082 1.309) 5.681 3.659 ( 0.319 7.917 -9.447) 12.330 3.711 ( -5.375 -0.918 -5.984) 8.096 3.742 ( -9.605 -4.541 -3.426) 11.163 3.850 ( 6.474 -9.678 -11.206) 16.160 4.284 ( -17.836 9.374 0.837) 20.167 4.522 ( -17.494 -12.426 6.424) 22.399 4.626 ( -18.304 15.733 -13.087) 27.456 4.961 ( -13.940 -17.228 -12.533) 25.460 5.447 ( 12.731 14.962 23.360) 30.523 5.744 ( 10.462 -13.336 18.086) 24.787 6.139 ( 2.694 8.528 -4.852) 10.175 6.223 ( -0.164 5.388 -2.967) 6.153 6.258 ( 4.482 -1.735 -6.398) 8.002 6.342 ( 3.932 -5.031 6.044) 8.792 6.500 ( -0.646 3.771 -6.661) 7.682 6.581 ( 1.813 -3.283 -4.587) 5.924 7.908 ( 18.782 9.303 7.442) 22.242 8.067 ( 18.319 -2.373 7.562) 19.960 8.186 ( 15.460 9.205 -2.957) 18.235 8.429 ( 14.898 -10.618 -7.186) 19.655 8.867 ( -4.609 9.517 9.595) 14.279 9.045 ( -5.353 2.539 5.788) 8.283 9.096 ( -6.313 0.107 4.480) 7.742 9.344 ( -5.570 -13.529 -2.581) 14.857 11.259 ( 6.592 4.125 4.847) 9.163 11.273 ( 8.243 3.286 2.714) 9.280 11.425 ( 8.217 -2.350 0.264) 8.551 11.439 ( 7.319 -3.832 0.005) 8.262 11.793 ( 12.367 8.712 13.997) 20.610 12.006 ( 9.794 -9.616 10.606) 17.346 12.052 ( 6.953 5.932 7.697) 11.949 12.164 ( 2.279 -0.638 12.800) 13.017 12.415 ( 20.045 3.094 -0.047) 20.283 12.568 ( 28.403 -9.258 5.694) 30.411 12.841 ( 18.234 4.218 -10.077) 21.256 12.948 ( 20.121 -5.094 -2.025) 20.854 13.198 ( 15.801 4.938 2.445) 16.735 13.307 ( 8.933 -5.488 10.877) 15.107 13.573 ( 12.177 6.330 -7.346) 15.566 13.632 ( 10.045 0.639 3.990) 10.828 14.006 ( 0.591 2.301 11.231) 11.480 14.083 ( 4.053 -3.945 13.906) 15.012 14.630 ( 3.243 3.745 -3.719) 6.195 14.711 ( 2.999 -4.303 -9.881) 11.187 15.075 ( -1.267 12.698 17.714) 21.832 15.349 ( -0.830 -13.650 16.614) 21.518 15.942 ( -3.734 8.489 -20.991) 22.948 16.097 ( -3.064 -5.258 -15.084) 16.265 16.687 ( -9.916 6.242 -4.974) 12.729 16.752 ( -11.429 4.269 -5.456) 13.365 16.844 ( -7.588 -7.109 -4.130) 11.188 16.936 ( -11.679 -11.550 -8.191) 18.354 17.588 ( -6.056 13.610 5.303) 15.812 17.795 ( -10.298 0.462 1.546) 10.424 18.045 ( -8.397 -7.582 -7.831) 13.759 18.170 ( -13.282 -13.177 -7.678) 20.224 19.943 ( 6.011 7.894 18.542) 21.030 20.078 ( 4.721 -5.451 15.274) 16.891 20.558 ( -2.622 4.962 -8.527) 10.208 20.635 ( -2.893 -2.371 -10.580) 11.222 21.326 ( -8.221 3.370 2.806) 9.318 21.350 ( -9.999 0.467 5.748) 11.543 21.656 ( -12.199 5.158 -10.761) 17.065 21.766 ( -14.487 -5.079 -13.268) 20.291 ======================= Grid point 246 (89/108) ======================= q-point: ( 0.40 0.40 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.984 ( 6.403 0.040 7.880) 10.154 2.996 ( 5.942 -1.053 7.384) 9.536 3.133 ( 8.380 4.853 8.954) 13.188 3.203 ( 1.049 -1.040 5.806) 5.991 3.244 ( 3.608 1.015 -4.224) 5.647 3.309 ( -3.340 -2.693 -0.072) 4.292 3.414 ( -2.856 4.344 1.716) 5.474 3.519 ( -1.171 -0.716 5.287) 5.462 3.560 ( -8.653 -0.173 -3.849) 9.472 3.584 ( -0.959 -6.625 -0.903) 6.755 3.762 ( 0.790 10.959 -9.893) 14.785 3.886 ( -6.713 10.504 -5.123) 13.477 4.065 ( -4.373 -11.920 -2.041) 12.860 4.219 ( -3.374 -14.404 -8.409) 17.017 4.310 ( -13.896 17.619 -17.287) 28.326 4.689 ( -13.510 -19.221 -17.541) 29.320 5.710 ( 13.053 12.969 16.590) 24.775 5.946 ( 9.159 -8.473 12.239) 17.478 6.115 ( -5.368 7.706 3.632) 10.069 6.182 ( -2.625 3.190 -4.937) 6.438 6.370 ( 5.046 1.298 0.609) 5.246 6.405 ( 2.621 -2.882 4.863) 6.231 6.486 ( -0.329 2.186 -3.030) 3.750 6.581 ( -1.743 -4.613 -1.893) 5.282 8.257 ( 16.026 10.040 6.912) 20.134 8.406 ( 15.284 6.102 3.317) 16.788 8.488 ( 14.546 0.569 4.031) 15.105 8.712 ( 11.790 -7.650 -2.735) 14.318 8.748 ( -7.025 8.780 6.995) 13.243 8.897 ( -7.648 8.818 0.412) 11.680 8.966 ( -7.853 -8.683 9.263) 14.929 9.200 ( -8.858 -15.085 -1.885) 17.594 11.371 ( 5.166 2.868 4.571) 7.470 11.405 ( 5.462 0.460 1.691) 5.736 11.498 ( 0.631 -1.543 0.464) 1.730 11.513 ( 0.941 -2.479 -1.099) 2.871 11.956 ( 5.078 6.390 12.855) 15.227 12.102 ( 1.917 -4.185 9.306) 10.383 12.114 ( 0.428 -1.473 8.766) 8.899 12.133 ( -3.255 -1.077 9.663) 10.253 12.795 ( 15.294 11.332 9.871) 21.442 13.003 ( 12.770 -6.799 8.932) 17.003 13.091 ( 7.819 4.864 3.585) 9.881 13.165 ( 1.179 -3.249 8.898) 9.546 13.543 ( 14.983 1.768 -4.839) 15.844 13.591 ( 14.756 -3.613 -2.119) 15.339 13.722 ( 6.350 5.517 -8.583) 12.018 13.842 ( 0.226 -5.788 -6.531) 8.729 14.272 ( 24.976 1.810 11.816) 27.689 14.297 ( 16.658 0.858 12.759) 21.001 14.682 ( 1.252 0.478 1.017) 1.682 14.757 ( 0.111 -6.428 -0.492) 6.447 15.156 ( 13.087 12.588 12.881) 22.263 15.388 ( 6.689 -8.208 12.850) 16.650 15.904 ( -2.045 4.261 -16.654) 17.312 16.001 ( -7.810 -4.110 -9.271) 12.800 16.410 ( -15.060 8.463 -1.144) 17.313 16.550 ( -7.217 -1.647 -8.507) 11.277 16.669 ( -12.710 -2.853 -7.775) 15.170 16.714 ( -9.534 -8.292 -10.172) 16.221 17.515 ( 0.245 8.270 2.225) 8.568 17.633 ( -4.188 -0.351 -0.094) 4.204 17.844 ( -10.850 -7.860 -6.901) 15.071 17.881 ( -14.709 -8.561 -5.477) 17.879 20.102 ( 9.510 7.284 14.618) 18.899 20.199 ( 6.951 -1.795 12.633) 14.530 20.493 ( -4.485 1.668 0.395) 4.802 20.552 ( -5.950 -3.536 -0.811) 6.968 21.198 ( -4.184 4.263 -2.181) 6.359 21.204 ( -3.232 4.784 -4.726) 7.462 21.434 ( -9.399 0.015 -11.076) 14.526 21.496 ( -11.875 -4.876 -13.334) 18.509 ======================= Grid point 247 (90/108) ======================= q-point: (-0.50 0.40 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.102 ( -1.868 0.881 5.757) 6.116 3.102 ( 1.868 0.881 5.757) 6.116 3.133 ( -2.190 -2.114 6.273) 6.972 3.133 ( 2.190 -2.114 6.273) 6.972 3.369 ( -6.385 3.429 -4.678) 8.627 3.369 ( 6.385 3.429 -4.678) 8.627 3.411 ( -6.394 -0.843 -4.978) 8.147 3.411 ( 6.394 -0.843 -4.978) 8.147 3.508 ( -12.174 10.089 5.795) 16.840 3.508 ( 12.174 10.089 5.795) 16.840 3.776 ( -14.186 -14.487 10.662) 22.908 3.776 ( 14.186 -14.487 10.662) 22.908 4.056 ( -11.579 16.809 -18.600) 27.615 4.056 ( 11.579 16.809 -18.600) 27.615 4.419 ( -13.585 -18.092 -19.546) 29.898 4.419 ( 13.585 -18.092 -19.546) 29.898 5.947 ( -10.352 10.323 9.764) 17.580 5.947 ( 10.352 10.323 9.764) 17.580 6.101 ( -5.728 -2.582 4.336) 7.634 6.101 ( 5.728 -2.582 4.336) 7.634 6.427 ( -1.132 2.775 1.690) 3.441 6.427 ( 1.132 2.775 1.690) 3.441 6.521 ( -3.665 -4.454 -0.737) 5.815 6.521 ( 3.665 -4.454 -0.737) 5.815 8.538 ( -11.860 10.691 6.824) 17.364 8.538 ( 11.860 10.691 6.824) 17.364 8.669 ( -11.105 13.156 0.948) 17.242 8.669 ( 11.105 13.156 0.948) 17.242 8.768 ( -11.683 -7.854 8.532) 16.461 8.768 ( 11.683 -7.854 8.532) 16.461 8.996 ( -11.347 -14.755 -2.471) 18.777 8.996 ( 11.347 -14.755 -2.471) 18.777 11.461 ( -3.243 1.322 2.418) 4.255 11.461 ( 3.243 1.322 2.418) 4.255 11.494 ( -2.501 -1.966 0.257) 3.192 11.494 ( 2.501 -1.966 0.257) 3.192 12.043 ( -4.272 3.570 10.934) 12.270 12.043 ( 4.272 3.570 10.934) 12.270 12.122 ( -0.413 -3.766 7.822) 8.691 12.122 ( 0.413 -3.766 7.822) 8.691 13.024 ( -8.073 9.574 14.121) 18.875 13.024 ( 8.073 9.574 14.121) 18.875 13.176 ( -2.434 -4.599 8.294) 9.791 13.176 ( 2.434 -4.599 8.294) 9.791 13.740 ( -4.949 0.894 -6.757) 8.423 13.740 ( 4.949 0.894 -6.757) 8.423 13.786 ( -5.035 -2.732 -8.096) 9.918 13.786 ( 5.035 -2.732 -8.096) 9.918 14.555 ( -5.692 5.712 11.957) 14.422 14.555 ( 5.692 5.712 11.957) 14.422 14.694 ( -4.383 -7.687 5.428) 10.381 14.694 ( 4.383 -7.687 5.428) 10.381 15.583 ( -17.523 6.349 2.323) 18.782 15.583 ( 17.523 6.349 2.323) 18.782 15.714 ( -13.506 -5.233 -0.556) 14.495 15.714 ( 13.506 -5.233 -0.556) 14.495 16.385 ( -11.773 7.283 -6.577) 15.326 16.385 ( 11.773 7.283 -6.577) 15.326 16.548 ( -5.636 -6.810 -12.196) 15.063 16.548 ( 5.636 -6.810 -12.196) 15.063 17.612 ( -7.296 -0.382 -2.066) 7.592 17.612 ( 7.296 -0.382 -2.066) 7.592 17.671 ( -3.842 -5.617 -4.572) 8.199 17.671 ( 3.842 -5.617 -4.572) 8.199 20.275 ( -4.543 8.095 10.789) 14.232 20.275 ( 4.543 8.095 10.789) 14.232 20.428 ( -3.179 -6.743 6.418) 9.837 20.428 ( 3.179 -6.743 6.418) 9.837 21.181 ( -0.799 8.796 -7.602) 11.653 21.181 ( 0.799 8.796 -7.602) 11.653 21.338 ( -2.019 -6.478 -12.631) 14.338 21.338 ( 2.019 -6.478 -12.631) 14.338 ======================= Grid point 275 (91/108) ======================= q-point: ( 0.00 0.00 -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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.807 ( 0.000 0.000 -9.180) 9.180 2.807 ( 0.000 0.000 9.180) 9.180 2.861 ( 0.000 0.000 -18.612) 18.612 2.861 ( 0.000 0.000 18.612) 18.612 2.947 ( 0.000 0.000 -10.776) 10.776 2.947 ( 0.000 0.000 10.776) 10.776 3.566 ( 0.000 0.000 -3.211) 3.211 3.566 ( 0.000 0.000 3.211) 3.211 3.582 ( 0.000 0.000 -15.586) 15.586 3.582 ( 0.000 0.000 15.586) 15.586 4.449 ( 0.000 0.000 -4.311) 4.311 4.449 ( 0.000 0.000 4.311) 4.311 5.273 ( 0.000 0.000 -19.635) 19.635 5.273 ( 0.000 0.000 19.635) 19.635 5.575 ( 0.000 0.000 -31.288) 31.288 5.575 ( 0.000 0.000 31.288) 31.288 5.704 ( 0.000 0.000 -9.463) 9.463 5.704 ( 0.000 0.000 9.463) 9.463 5.898 ( 0.000 0.000 -22.419) 22.419 5.898 ( 0.000 0.000 22.419) 22.419 5.924 ( 0.000 0.000 -5.063) 5.063 5.924 ( 0.000 0.000 5.063) 5.063 6.147 ( 0.000 0.000 -8.976) 8.976 6.147 ( 0.000 0.000 8.976) 8.976 6.923 ( 0.000 0.000 -7.862) 7.862 6.923 ( 0.000 0.000 7.862) 7.862 7.719 ( 0.000 0.000 -15.215) 15.215 7.719 ( 0.000 0.000 15.215) 15.215 9.216 ( 0.000 0.000 -3.920) 3.920 9.216 ( 0.000 0.000 3.920) 3.920 9.291 ( 0.000 0.000 -15.658) 15.658 9.291 ( 0.000 0.000 15.658) 15.658 10.195 ( 0.000 0.000 -7.731) 7.731 10.195 ( 0.000 0.000 7.731) 7.731 10.328 ( 0.000 0.000 -3.417) 3.417 10.328 ( 0.000 0.000 3.417) 3.417 11.259 ( 0.000 0.000 -1.685) 1.685 11.259 ( 0.000 0.000 1.685) 1.685 11.814 ( 0.000 0.000 -9.458) 9.458 11.814 ( 0.000 0.000 9.458) 9.458 12.102 ( 0.000 0.000 -22.713) 22.713 12.102 ( 0.000 0.000 22.713) 22.713 12.611 ( 0.000 0.000 -11.783) 11.783 12.611 ( 0.000 0.000 11.783) 11.783 13.004 ( 0.000 0.000 -2.453) 2.453 13.004 ( 0.000 0.000 2.453) 2.453 13.573 ( 0.000 0.000 -8.872) 8.872 13.573 ( 0.000 0.000 8.872) 8.872 14.238 ( 0.000 0.000 -12.391) 12.391 14.238 ( 0.000 0.000 12.391) 12.391 14.452 ( 0.000 0.000 -4.683) 4.683 14.452 ( 0.000 0.000 4.683) 4.683 15.477 ( 0.000 0.000 -27.073) 27.073 15.477 ( 0.000 0.000 27.073) 27.073 15.803 ( 0.000 0.000 -16.571) 16.571 15.803 ( 0.000 0.000 16.571) 16.571 16.942 ( 0.000 0.000 -27.423) 27.423 16.942 ( 0.000 0.000 27.423) 27.423 17.376 ( 0.000 0.000 -0.377) 0.377 17.376 ( 0.000 0.000 0.377) 0.377 17.734 ( 0.000 0.000 -7.234) 7.234 17.734 ( 0.000 0.000 7.234) 7.234 18.970 ( 0.000 0.000 -10.239) 10.239 18.970 ( 0.000 0.000 10.239) 10.239 20.212 ( 0.000 0.000 -28.555) 28.555 20.212 ( 0.000 0.000 28.555) 28.555 20.295 ( 0.000 0.000 -1.815) 1.815 20.295 ( 0.000 0.000 1.815) 1.815 21.667 ( 0.000 0.000 -3.805) 3.805 21.667 ( 0.000 0.000 3.805) 3.805 22.140 ( 0.000 0.000 -15.848) 15.848 22.140 ( 0.000 0.000 15.848) 15.848 ======================= Grid point 277 (92/108) ======================= q-point: ( 0.10 0.00 -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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.815 ( 2.516 0.000 -3.193) 4.065 2.815 ( 2.516 0.000 3.193) 4.065 2.917 ( 0.400 0.000 -4.172) 4.192 2.917 ( 0.400 0.000 4.172) 4.192 3.012 ( 9.343 0.000 -0.461) 9.354 3.012 ( 9.343 0.000 0.461) 9.354 3.533 ( -2.875 0.000 -4.438) 5.288 3.533 ( -2.875 0.000 4.438) 5.288 3.604 ( 1.410 0.000 -12.967) 13.044 3.604 ( 1.410 0.000 12.967) 13.044 4.375 ( -7.610 0.000 -2.474) 8.002 4.375 ( -7.610 0.000 2.474) 8.002 5.020 ( -21.705 0.000 -13.668) 25.650 5.020 ( -21.705 0.000 13.668) 25.650 5.500 ( -1.842 0.000 -30.730) 30.785 5.500 ( -1.842 0.000 30.730) 30.785 5.603 ( -10.189 0.000 -18.385) 21.019 5.603 ( -10.189 0.000 18.385) 21.019 5.906 ( 4.750 0.000 -7.004) 8.463 5.906 ( 4.750 0.000 7.004) 8.463 6.149 ( 5.477 0.000 -7.716) 9.462 6.149 ( 5.477 0.000 7.716) 9.462 6.189 ( 9.592 0.000 -5.017) 10.825 6.189 ( 9.592 0.000 5.017) 10.825 7.048 ( 12.100 0.000 -6.492) 13.731 7.048 ( 12.100 0.000 6.492) 13.731 7.829 ( 10.610 0.000 -14.224) 17.746 7.829 ( 10.610 0.000 14.224) 17.746 9.066 ( -8.536 0.000 -7.789) 11.556 9.066 ( -8.536 0.000 7.789) 11.556 9.429 ( 6.965 0.000 -10.316) 12.447 9.429 ( 6.965 0.000 10.316) 12.447 10.440 ( 21.651 0.000 -5.126) 22.250 10.440 ( 21.651 0.000 5.126) 22.250 10.545 ( 21.453 0.000 -0.185) 21.454 10.545 ( 21.453 0.000 0.185) 21.454 11.356 ( 9.319 0.000 -1.399) 9.423 11.356 ( 9.319 0.000 1.399) 9.423 11.854 ( 5.277 0.000 -7.515) 9.182 11.854 ( 5.277 0.000 7.515) 9.182 12.165 ( 6.414 0.000 -22.198) 23.106 12.165 ( 6.414 0.000 22.198) 23.106 12.605 ( -0.354 0.000 -10.760) 10.766 12.605 ( -0.354 0.000 10.760) 10.766 12.954 ( -4.706 0.000 -2.590) 5.372 12.954 ( -4.706 0.000 2.590) 5.372 13.603 ( 2.520 0.000 -7.403) 7.821 13.603 ( 2.520 0.000 7.403) 7.821 14.229 ( -0.927 0.000 -12.497) 12.531 14.229 ( -0.927 0.000 12.497) 12.531 14.440 ( -0.773 0.000 -5.634) 5.687 14.440 ( -0.773 0.000 5.634) 5.687 15.420 ( -4.751 0.000 -27.632) 28.038 15.420 ( -4.751 0.000 27.632) 28.038 15.871 ( 5.543 0.000 -15.314) 16.287 15.871 ( 5.543 0.000 15.314) 16.287 16.852 ( -7.600 0.000 -21.580) 22.879 16.852 ( -7.600 0.000 21.580) 22.879 17.392 ( 0.310 0.000 -4.133) 4.144 17.392 ( 0.310 0.000 4.133) 4.144 17.686 ( -4.691 0.000 -7.750) 9.059 17.686 ( -4.691 0.000 7.750) 9.059 18.924 ( -4.775 0.000 -9.424) 10.565 18.924 ( -4.775 0.000 9.424) 10.565 20.162 ( -3.823 0.000 -24.405) 24.702 20.162 ( -3.823 0.000 24.405) 24.702 20.315 ( 1.213 0.000 -6.527) 6.639 20.315 ( 1.213 0.000 6.527) 6.639 21.624 ( -4.216 0.000 -5.143) 6.650 21.624 ( -4.216 0.000 5.143) 6.650 22.066 ( -7.286 0.000 -15.548) 17.171 22.066 ( -7.286 0.000 15.548) 17.171 ======================= Grid point 279 (93/108) ======================= q-point: ( 0.20 0.00 -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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.894 ( 3.733 0.000 -8.169) 8.981 2.894 ( 3.734 0.000 8.169) 8.981 2.929 ( 2.905 0.000 -5.953) 6.624 2.929 ( 2.905 0.000 5.953) 6.624 3.231 ( 10.256 0.000 -6.221) 11.995 3.231 ( 10.256 0.000 6.221) 11.995 3.456 ( -4.468 0.000 -4.618) 6.426 3.456 ( -4.468 0.000 4.618) 6.426 3.630 ( 1.756 0.000 -10.088) 10.239 3.630 ( 1.756 0.000 10.088) 10.239 4.156 ( -13.281 0.000 -0.546) 13.292 4.156 ( -13.281 0.000 0.546) 13.292 4.539 ( -25.056 0.000 -8.864) 26.578 4.539 ( -25.056 0.000 8.864) 26.578 5.404 ( -9.843 0.000 -17.025) 19.666 5.404 ( -9.843 0.000 17.025) 19.666 5.516 ( 2.632 0.000 -27.988) 28.111 5.516 ( 2.632 0.000 27.988) 28.111 5.956 ( 0.780 0.000 -10.973) 11.000 5.956 ( 0.780 0.000 10.973) 11.000 6.208 ( 3.736 0.000 -4.851) 6.123 6.208 ( 3.736 0.000 4.851) 6.123 6.420 ( 10.106 0.000 -2.664) 10.452 6.420 ( 10.106 0.000 2.664) 10.452 7.360 ( 17.948 0.000 -2.942) 18.187 7.360 ( 17.948 0.000 2.942) 18.187 8.111 ( 16.795 0.000 -11.885) 20.575 8.111 ( 16.795 0.000 11.885) 20.575 8.903 ( -7.844 0.000 -5.856) 9.789 8.903 ( -7.844 0.000 5.856) 9.789 9.529 ( 2.915 0.000 -9.500) 9.937 9.529 ( 2.915 0.000 9.500) 9.937 10.858 ( 17.829 0.000 -0.144) 17.830 10.858 ( 17.829 0.000 0.144) 17.830 11.146 ( 34.364 0.000 -4.695) 34.684 11.146 ( 34.364 0.000 4.695) 34.684 11.555 ( 8.669 0.000 -7.163) 11.246 11.555 ( 8.669 0.000 7.163) 11.246 12.114 ( 19.777 0.000 -9.123) 21.780 12.114 ( 19.777 0.000 9.123) 21.780 12.366 ( 14.883 0.000 -13.918) 20.377 12.366 ( 14.883 0.000 13.918) 20.377 12.631 ( 4.971 0.000 -10.305) 11.442 12.631 ( 4.971 0.000 10.305) 11.442 12.845 ( -4.353 0.000 -3.986) 5.902 12.845 ( -4.353 0.000 3.986) 5.902 13.647 ( 1.244 0.000 -3.860) 4.055 13.647 ( 1.244 0.000 3.860) 4.055 14.202 ( -1.480 0.000 -13.754) 13.833 14.202 ( -1.480 0.000 13.754) 13.833 14.452 ( 2.731 0.000 -4.556) 5.312 14.452 ( 2.731 0.000 4.556) 5.312 15.312 ( -5.947 0.000 -27.766) 28.396 15.312 ( -5.947 0.000 27.766) 28.396 15.976 ( 4.252 0.000 -12.168) 12.889 15.976 ( 4.252 0.000 12.168) 12.889 16.694 ( -7.556 0.000 -12.598) 14.690 16.694 ( -7.556 0.000 12.598) 14.690 17.348 ( -5.001 0.000 -7.690) 9.174 17.348 ( -5.001 0.000 7.690) 9.174 17.554 ( -8.393 0.000 -9.562) 12.724 17.554 ( -8.393 0.000 9.562) 12.724 18.772 ( -10.708 0.000 -7.202) 12.905 18.772 ( -10.708 0.000 7.202) 12.905 20.097 ( -2.028 0.000 -22.957) 23.046 20.097 ( -2.028 0.000 22.957) 23.046 20.337 ( 1.125 0.000 -8.793) 8.865 20.337 ( 1.125 0.000 8.793) 8.865 21.509 ( -6.986 0.000 -8.074) 10.676 21.509 ( -6.986 0.000 8.074) 10.676 21.861 ( -12.838 0.000 -14.931) 19.691 21.861 ( -12.838 0.000 14.931) 19.691 ======================= Grid point 281 (94/108) ======================= q-point: ( 0.30 0.00 -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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.951 ( 3.798 0.000 -2.853) 4.750 2.951 ( 3.798 0.000 2.853) 4.750 3.047 ( 7.103 0.000 -3.587) 7.958 3.047 ( 7.103 0.000 3.587) 7.958 3.288 ( -4.044 0.000 -3.095) 5.092 3.288 ( -4.044 0.000 3.095) 5.092 3.409 ( -1.066 0.000 -5.468) 5.571 3.409 ( -1.066 0.000 5.468) 5.571 3.695 ( 0.561 0.000 -3.574) 3.618 3.695 ( 0.561 0.000 3.574) 3.618 3.926 ( -6.702 0.000 -2.766) 7.250 3.926 ( -6.702 0.000 2.766) 7.250 4.076 ( -18.029 0.000 -2.047) 18.145 4.076 ( -18.029 0.000 2.047) 18.145 5.176 ( -13.310 0.000 -18.348) 22.667 5.176 ( -13.310 0.000 18.348) 22.667 5.600 ( 5.333 0.000 -23.490) 24.088 5.600 ( 5.333 0.000 23.490) 24.088 5.950 ( -1.361 0.000 -9.010) 9.113 5.950 ( -1.361 0.000 9.010) 9.113 6.313 ( 6.500 0.000 -1.886) 6.769 6.313 ( 6.500 0.000 1.886) 6.769 6.570 ( 4.904 0.000 -4.327) 6.540 6.570 ( 4.904 0.000 4.327) 6.540 7.723 ( 17.804 0.000 -0.058) 17.804 7.723 ( 17.804 0.000 0.058) 17.804 8.455 ( 15.831 0.000 -8.300) 17.875 8.455 ( 15.831 0.000 8.300) 17.875 8.762 ( -5.117 0.000 -4.339) 6.709 8.762 ( -5.117 0.000 4.339) 6.709 9.539 ( -2.161 0.000 -9.489) 9.732 9.539 ( -2.161 0.000 9.489) 9.732 11.144 ( 11.630 0.000 -0.030) 11.630 11.144 ( 11.630 0.000 0.030) 11.630 11.560 ( 5.102 0.000 -5.681) 7.635 11.560 ( 5.102 0.000 5.681) 7.635 11.861 ( 20.397 0.000 -1.810) 20.477 11.861 ( 20.397 0.000 1.810) 20.477 12.377 ( 9.887 0.000 -16.007) 18.814 12.377 ( 9.887 0.000 16.007) 18.814 12.542 ( -5.220 0.000 -4.061) 6.614 12.542 ( -5.220 0.000 4.061) 6.614 12.936 ( 23.720 0.000 -8.218) 25.103 12.936 ( 23.720 0.000 8.218) 25.103 13.062 ( 26.054 0.000 -4.222) 26.394 13.062 ( 26.054 0.000 4.223) 26.394 13.666 ( 3.657 0.000 -3.246) 4.890 13.666 ( 3.657 0.000 3.246) 4.890 14.198 ( 2.478 0.000 -12.875) 13.112 14.198 ( 2.478 0.000 12.875) 13.112 14.573 ( 10.024 0.000 -3.403) 10.586 14.573 ( 10.024 0.000 3.403) 10.586 15.182 ( -7.261 0.000 -23.419) 24.518 15.182 ( -7.261 0.000 23.419) 24.518 16.029 ( 1.427 0.000 -6.095) 6.260 16.029 ( 1.427 0.000 6.095) 6.260 16.540 ( -9.149 0.000 -4.505) 10.198 16.540 ( -9.149 0.000 4.505) 10.198 17.184 ( -12.771 0.000 -6.604) 14.378 17.184 ( -12.771 0.000 6.604) 14.378 17.398 ( -4.186 0.000 -11.887) 12.603 17.398 ( -4.186 0.000 11.887) 12.603 18.498 ( -16.549 0.000 -3.980) 17.021 18.498 ( -16.549 0.000 3.980) 17.021 20.100 ( 2.555 0.000 -21.011) 21.166 20.100 ( 2.555 0.000 21.011) 21.166 20.362 ( 1.329 0.000 -10.246) 10.332 20.362 ( 1.329 0.000 10.246) 10.332 21.360 ( -7.622 0.000 -10.880) 13.284 21.360 ( -7.622 0.000 10.880) 13.284 21.579 ( -14.794 0.000 -14.569) 20.763 21.579 ( -14.794 0.000 14.569) 20.763 ======================= Grid point 283 (95/108) ======================= q-point: ( 0.40 0.00 -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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.059 ( 6.907 0.000 -2.121) 7.226 3.059 ( 6.907 0.000 2.121) 7.226 3.187 ( 5.310 0.000 -4.377) 6.881 3.187 ( 5.310 0.000 4.377) 6.881 3.222 ( 0.227 0.000 -1.770) 1.784 3.222 ( 0.227 0.000 1.770) 1.784 3.352 ( -3.860 0.000 -2.661) 4.688 3.352 ( -3.860 0.000 2.661) 4.688 3.529 ( -11.739 0.000 -3.867) 12.359 3.529 ( -11.739 0.000 3.867) 12.359 3.643 ( -15.744 0.000 -2.057) 15.878 3.643 ( -15.744 0.000 2.057) 15.878 4.180 ( 16.470 0.000 -17.239) 23.842 4.180 ( 16.470 0.000 17.239) 23.842 4.878 ( -16.437 0.000 -18.312) 24.607 4.878 ( -16.437 0.000 18.312) 24.607 5.713 ( 5.710 0.000 -15.112) 16.155 5.713 ( 5.710 0.000 15.112) 16.155 5.903 ( -3.336 0.000 -3.030) 4.507 5.903 ( -3.336 0.000 3.030) 4.507 6.449 ( 6.756 0.000 -0.031) 6.756 6.449 ( 6.756 0.000 0.031) 6.756 6.615 ( -0.326 0.000 -3.579) 3.594 6.615 ( -0.326 0.000 3.579) 3.594 8.052 ( 15.069 0.000 -1.393) 15.133 8.052 ( 15.069 0.000 1.393) 15.133 8.517 ( -7.605 0.000 -0.058) 7.605 8.517 ( -7.605 0.000 0.058) 7.605 8.897 ( 15.931 0.000 -8.967) 18.281 8.897 ( 15.931 0.000 8.967) 18.281 9.434 ( -8.504 0.000 -9.201) 12.529 9.434 ( -8.504 0.000 9.201) 12.529 11.346 ( 8.980 0.000 -1.454) 9.098 11.346 ( 8.980 0.000 1.454) 9.098 11.587 ( -1.604 0.000 -4.742) 5.005 11.587 ( -1.604 0.000 4.742) 5.005 12.093 ( 5.988 0.000 -5.477) 8.115 12.093 ( 5.988 0.000 5.477) 8.115 12.382 ( -8.875 0.000 -4.538) 9.968 12.382 ( -8.875 0.000 4.538) 9.968 12.663 ( 17.244 0.000 -13.829) 22.104 12.663 ( 17.244 0.000 13.829) 22.104 13.231 ( -7.020 0.000 -9.378) 11.715 13.231 ( -7.020 0.000 9.378) 11.715 13.443 ( 23.730 0.000 -3.679) 24.014 13.443 ( 23.730 0.000 3.679) 24.014 13.854 ( 5.307 0.000 -8.607) 10.112 13.854 ( 5.307 0.000 8.607) 10.112 14.414 ( 19.153 0.000 -1.784) 19.236 14.414 ( 19.153 0.000 1.784) 19.236 14.904 ( 22.889 0.000 -9.214) 24.674 14.904 ( 22.889 0.000 9.214) 24.674 15.021 ( -6.505 0.000 -18.238) 19.363 15.021 ( -6.505 0.000 18.238) 19.363 16.015 ( -7.695 0.000 -9.270) 12.048 16.015 ( -7.695 0.000 9.270) 12.048 16.329 ( -6.911 0.000 -9.641) 11.862 16.329 ( -6.911 0.000 9.641) 11.862 16.833 ( -20.630 0.000 -5.010) 21.230 16.833 ( -20.630 0.000 5.010) 21.230 17.462 ( 9.981 0.000 -8.545) 13.139 17.462 ( 9.981 0.000 8.545) 13.139 18.132 ( -19.629 0.000 -0.131) 19.629 18.132 ( -19.629 0.000 0.131) 19.629 20.193 ( 6.280 0.000 -17.757) 18.835 20.193 ( 6.280 0.000 17.757) 18.835 20.376 ( -0.569 0.000 -11.645) 11.659 20.376 ( -0.569 0.000 11.645) 11.659 21.225 ( -5.303 0.000 -12.925) 13.970 21.225 ( -5.303 0.000 12.925) 13.970 21.311 ( -10.991 0.000 -14.664) 18.326 21.311 ( -10.991 0.000 14.664) 18.326 ======================= Grid point 285 (96/108) ======================= q-point: (-0.50 0.00 -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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.188 ( -3.900 0.000 -3.933) 5.538 3.188 ( 3.900 0.000 -3.933) 5.538 3.188 ( -3.900 0.000 3.933) 5.538 3.188 ( 3.900 0.000 3.933) 5.538 3.303 ( -4.723 0.000 -4.555) 6.562 3.303 ( 4.723 0.000 -4.555) 6.562 3.303 ( -4.723 0.000 4.555) 6.562 3.303 ( 4.723 0.000 4.555) 6.562 3.405 ( -7.098 0.000 -4.177) 8.236 3.405 ( 7.098 0.000 -4.177) 8.236 3.405 ( -7.098 0.000 4.177) 8.236 3.405 ( 7.098 0.000 4.177) 8.236 4.532 ( -18.004 0.000 -17.871) 25.368 4.532 ( 18.004 0.000 -17.871) 25.368 4.532 ( -18.004 0.000 17.871) 25.368 4.532 ( 18.004 0.000 17.871) 25.368 5.820 ( -4.906 0.000 -5.575) 7.426 5.820 ( 4.906 0.000 -5.575) 7.426 5.820 ( -4.906 0.000 5.575) 7.426 5.820 ( 4.906 0.000 5.575) 7.426 6.565 ( -4.466 0.000 -1.858) 4.837 6.565 ( 4.466 0.000 -1.858) 4.837 6.565 ( -4.466 0.000 1.858) 4.837 6.565 ( 4.466 0.000 1.858) 4.837 8.319 ( -11.750 0.000 -1.445) 11.838 8.319 ( -11.750 0.000 1.445) 11.838 8.319 ( 11.750 0.000 -1.445) 11.838 8.319 ( 11.750 0.000 1.445) 11.838 9.206 ( -14.044 0.000 -8.811) 16.579 9.206 ( 14.044 0.000 -8.811) 16.579 9.206 ( -14.044 0.000 8.811) 16.579 9.206 ( 14.044 0.000 8.811) 16.579 11.502 ( -6.476 0.000 -3.072) 7.167 11.502 ( 6.476 0.000 -3.072) 7.167 11.502 ( -6.476 0.000 3.072) 7.167 11.502 ( 6.476 0.000 3.072) 7.167 12.217 ( -7.306 0.000 -5.446) 9.113 12.217 ( 7.306 0.000 -5.446) 9.113 12.217 ( -7.306 0.000 5.446) 9.113 12.217 ( 7.306 0.000 5.446) 9.113 12.993 ( -15.116 0.000 -12.760) 19.782 12.993 ( 15.116 0.000 -12.760) 19.782 12.993 ( -15.116 0.000 12.760) 19.782 12.993 ( 15.116 0.000 12.760) 19.782 13.789 ( -10.464 0.000 -0.512) 10.476 13.789 ( -10.464 0.000 0.512) 10.476 13.789 ( 10.464 0.000 -0.512) 10.476 13.789 ( 10.464 0.000 0.512) 10.476 14.762 ( -14.650 0.000 -12.946) 19.551 14.762 ( 14.651 0.000 -12.946) 19.551 14.762 ( -14.650 0.000 12.946) 19.551 14.762 ( 14.651 0.000 12.946) 19.551 15.564 ( -32.626 0.000 -8.205) 33.641 15.564 ( -32.626 0.000 8.205) 33.641 15.564 ( 32.626 0.000 -8.205) 33.641 15.564 ( 32.626 0.000 8.205) 33.641 16.452 ( -15.440 0.000 -6.680) 16.823 16.452 ( 15.440 0.000 -6.680) 16.823 16.452 ( -15.440 0.000 6.680) 16.823 16.452 ( 15.440 0.000 6.680) 16.823 17.750 ( -17.828 0.000 -3.944) 18.259 17.750 ( -17.828 0.000 3.944) 18.259 17.750 ( 17.828 0.000 -3.944) 18.259 17.750 ( 17.828 0.000 3.944) 18.259 20.318 ( -5.280 0.000 -14.132) 15.086 20.318 ( 5.280 0.000 -14.132) 15.086 20.318 ( -5.280 0.000 14.132) 15.086 20.318 ( 5.280 0.000 14.132) 15.086 21.180 ( -1.712 0.000 -14.289) 14.391 21.180 ( 1.712 0.000 -14.289) 14.391 21.180 ( -1.712 0.000 14.289) 14.391 21.180 ( 1.712 0.000 14.289) 14.391 ======================= Grid point 297 (97/108) ======================= q-point: ( 0.00 0.20 -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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.818 ( 0.000 0.787 -13.082) 13.105 2.818 ( 0.000 0.787 13.082) 13.105 2.848 ( 0.000 -1.059 -17.665) 17.696 2.848 ( 0.000 -1.059 17.665) 17.696 3.014 ( 0.000 6.589 -18.995) 20.105 3.014 ( 0.000 6.589 18.995) 20.105 3.542 ( 0.000 -4.246 -16.619) 17.153 3.542 ( 0.000 -4.246 16.619) 17.153 3.622 ( 0.000 5.738 -2.191) 6.142 3.622 ( 0.000 5.738 2.191) 6.142 4.330 ( 0.000 -10.894 -4.391) 11.746 4.330 ( 0.000 -10.894 4.391) 11.746 5.311 ( 0.000 3.934 -13.598) 14.156 5.311 ( 0.000 3.934 13.598) 14.156 5.624 ( 0.000 4.770 -24.895) 25.348 5.624 ( 0.000 4.770 24.895) 25.348 5.682 ( 0.000 -2.662 -13.005) 13.275 5.682 ( 0.000 -2.662 13.005) 13.275 5.909 ( 0.000 -1.357 -6.086) 6.236 5.909 ( 0.000 -1.357 6.086) 6.236 5.928 ( 0.000 2.275 -21.978) 22.095 5.928 ( 0.000 2.275 21.978) 22.095 6.107 ( 0.000 -3.754 -7.673) 8.542 6.107 ( 0.000 -3.754 7.673) 8.542 7.040 ( 0.000 10.759 -10.531) 15.056 7.040 ( 0.000 10.759 10.531) 15.056 7.677 ( 0.000 -4.330 -15.323) 15.923 7.677 ( 0.000 -4.330 15.323) 15.923 9.228 ( 0.000 1.033 -5.691) 5.784 9.228 ( 0.000 1.033 5.691) 5.784 9.284 ( 0.000 -0.626 -14.063) 14.077 9.284 ( 0.000 -0.626 14.063) 14.077 10.240 ( 0.000 4.055 -8.285) 9.224 10.240 ( 0.000 4.055 8.285) 9.224 10.352 ( 0.000 1.916 -3.958) 4.398 10.352 ( 0.000 1.916 3.958) 4.398 11.293 ( 0.000 3.598 -1.186) 3.789 11.293 ( 0.000 3.598 1.186) 3.789 11.765 ( 0.000 -5.256 -3.352) 6.234 11.765 ( 0.000 -5.256 3.352) 6.234 12.122 ( 0.000 2.767 -20.729) 20.913 12.122 ( 0.000 2.767 20.729) 20.913 12.563 ( 0.000 -5.010 -10.656) 11.775 12.563 ( 0.000 -5.010 10.656) 11.775 13.043 ( 0.000 4.085 -8.561) 9.485 13.043 ( 0.000 4.085 8.561) 9.485 13.503 ( 0.000 -6.439 -11.131) 12.859 13.503 ( 0.000 -6.439 11.131) 12.859 14.282 ( 0.000 3.801 -11.949) 12.539 14.282 ( 0.000 3.801 11.949) 12.539 14.450 ( 0.000 -0.419 -6.927) 6.939 14.450 ( 0.000 -0.419 6.927) 6.940 15.505 ( 0.000 2.741 -26.646) 26.787 15.505 ( 0.000 2.741 26.646) 26.787 15.768 ( 0.000 -3.208 -18.406) 18.683 15.768 ( 0.000 -3.208 18.406) 18.683 17.038 ( 0.000 8.223 -23.709) 25.095 17.038 ( 0.000 8.223 23.709) 25.095 17.339 ( 0.000 -3.296 -1.113) 3.479 17.339 ( 0.000 -3.296 1.113) 3.479 17.727 ( 0.000 0.805 -7.312) 7.356 17.727 ( 0.000 0.805 7.312) 7.356 18.743 ( 0.000 -20.218 -10.178) 22.635 18.743 ( 0.000 -20.218 10.178) 22.635 20.251 ( 0.000 3.452 -27.221) 27.439 20.251 ( 0.000 3.452 27.221) 27.439 20.333 ( 0.000 2.635 -10.033) 10.373 20.333 ( 0.000 2.635 10.033) 10.373 21.748 ( 0.000 7.211 -8.447) 11.106 21.748 ( 0.000 7.211 8.447) 11.106 22.118 ( 0.000 -2.270 -15.671) 15.835 22.118 ( 0.000 -2.270 15.671) 15.835 ======================= Grid point 299 (98/108) ======================= q-point: ( 0.10 0.20 -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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.827 ( 2.628 1.110 -3.879) 4.815 2.827 ( 2.628 1.110 3.879) 4.815 2.936 ( 4.601 -0.024 -4.878) 6.705 2.936 ( 4.601 -0.024 4.878) 6.705 3.041 ( 4.391 4.668 -14.939) 16.255 3.041 ( 4.391 4.668 14.939) 16.255 3.530 ( -2.014 -2.831 -11.838) 12.337 3.530 ( -2.014 -2.831 11.838) 12.337 3.615 ( -0.166 3.615 -4.825) 6.032 3.615 ( -0.166 3.615 4.825) 6.032 4.263 ( -6.766 -10.203 -3.194) 12.653 4.263 ( -6.766 -10.203 3.194) 12.653 5.084 ( -20.260 5.927 -13.414) 25.011 5.084 ( -20.260 5.927 13.414) 25.011 5.538 ( -5.119 0.291 -21.822) 22.416 5.538 ( -5.119 0.291 21.822) 22.416 5.555 ( -8.179 -0.826 -22.857) 24.291 5.555 ( -8.179 -0.826 22.857) 24.291 5.951 ( 3.984 2.591 -8.590) 9.817 5.951 ( 3.984 2.591 8.590) 9.817 6.078 ( 6.756 -4.293 -11.684) 14.163 6.078 ( 6.756 -4.293 11.684) 14.163 6.210 ( 9.644 0.220 -4.265) 10.547 6.210 ( 9.644 0.220 4.265) 10.547 7.161 ( 11.616 10.376 -8.930) 17.953 7.161 ( 11.616 10.376 8.930) 17.953 7.786 ( 10.536 -4.403 -14.242) 18.255 7.786 ( 10.536 -4.403 14.242) 18.255 9.107 ( -7.041 3.769 -7.617) 11.037 9.107 ( -7.041 3.769 7.617) 11.037 9.393 ( 5.340 -3.391 -9.357) 11.295 9.393 ( 5.340 -3.391 9.357) 11.295 10.487 ( 22.201 4.107 -5.974) 23.355 10.487 ( 22.201 4.107 5.974) 23.355 10.574 ( 21.560 2.469 -2.693) 21.867 10.574 ( 21.560 2.469 2.693) 21.867 11.379 ( 8.416 2.473 -1.097) 8.840 11.379 ( 8.416 2.473 1.097) 8.840 11.801 ( 4.708 -5.512 -2.490) 7.665 11.801 ( 4.708 -5.512 2.490) 7.665 12.168 ( 4.554 1.425 -17.858) 18.484 12.168 ( 4.554 1.425 17.858) 18.484 12.565 ( 0.392 -4.558 -8.954) 10.055 12.565 ( 0.392 -4.558 8.954) 10.055 13.011 ( -2.795 5.725 -8.392) 10.536 13.011 ( -2.795 5.725 8.392) 10.536 13.530 ( 2.453 -6.626 -9.866) 12.135 13.530 ( 2.453 -6.626 9.866) 12.135 14.273 ( -0.953 3.843 -12.168) 12.796 14.273 ( -0.953 3.843 12.168) 12.796 14.440 ( -0.604 -0.235 -6.779) 6.810 14.440 ( -0.604 -0.235 6.779) 6.810 15.460 ( -3.785 3.824 -26.917) 27.449 15.460 ( -3.785 3.824 26.917) 27.449 15.823 ( 4.475 -4.432 -17.362) 18.469 15.823 ( 4.475 -4.432 17.362) 18.469 16.929 ( -8.847 6.748 -17.286) 20.557 16.929 ( -8.847 6.748 17.286) 20.557 17.344 ( -1.329 -4.704 -3.917) 6.264 17.344 ( -1.329 -4.704 3.917) 6.264 17.700 ( -2.545 2.898 -7.768) 8.673 17.700 ( -2.545 2.898 7.768) 8.673 18.709 ( -3.663 -19.134 -9.339) 21.604 18.709 ( -3.663 -19.134 9.339) 21.604 20.217 ( -2.813 4.528 -24.686) 25.255 20.217 ( -2.813 4.528 24.686) 25.255 20.340 ( 0.449 1.787 -11.748) 11.892 20.340 ( 0.449 1.787 11.748) 11.892 21.698 ( -4.910 6.625 -8.273) 11.681 21.698 ( -4.910 6.625 8.273) 11.681 22.045 ( -7.177 -2.161 -15.292) 17.030 22.045 ( -7.177 -2.161 15.292) 17.030 ======================= Grid point 301 (99/108) ======================= q-point: ( 0.20 0.20 -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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.910 ( 4.860 1.563 -5.597) 7.576 2.910 ( 4.860 1.563 5.597) 7.576 2.984 ( 2.278 4.802 -9.174) 10.602 2.984 ( 2.278 4.802 9.174) 10.602 3.198 ( 8.075 -2.648 -5.037) 9.879 3.198 ( 8.075 -2.648 5.037) 9.879 3.462 ( -3.394 -0.131 -7.435) 8.174 3.462 ( -3.394 -0.131 7.435) 8.174 3.620 ( 0.686 -0.023 -8.328) 8.356 3.620 ( 0.686 -0.023 8.328) 8.356 4.073 ( -11.487 -7.557 -1.063) 13.790 4.073 ( -11.487 -7.557 1.063) 13.790 4.624 ( -24.373 7.841 -10.281) 27.590 4.624 ( -24.373 7.841 10.281) 27.590 5.296 ( -13.010 -9.460 -14.646) 21.754 5.296 ( -13.010 -9.460 14.646) 21.754 5.575 ( 3.644 5.846 -28.095) 28.928 5.575 ( 3.644 5.846 28.095) 28.928 6.016 ( 2.741 2.882 -10.132) 10.884 6.016 ( 2.741 2.882 10.132) 10.884 6.178 ( 4.467 -1.288 -10.164) 11.176 6.178 ( 4.467 -1.288 10.164) 11.176 6.413 ( 9.249 -1.012 -3.026) 9.784 6.413 ( 9.249 -1.012 3.026) 9.784 7.461 ( 17.371 9.446 -5.538) 20.534 7.461 ( 17.371 9.446 5.538) 20.534 8.067 ( 16.812 -4.476 -11.787) 21.014 8.067 ( 16.812 -4.476 11.787) 21.014 8.966 ( -7.123 5.959 -6.041) 11.079 8.966 ( -7.123 5.959 6.041) 11.079 9.464 ( 1.718 -6.027 -8.926) 10.907 9.464 ( 1.718 -6.027 8.926) 10.907 10.919 ( 17.888 5.531 -0.880) 18.744 10.919 ( 17.888 5.531 0.880) 18.744 11.158 ( 32.098 0.765 -3.815) 32.333 11.158 ( 32.098 0.765 3.815) 32.333 11.579 ( 10.316 2.542 -5.451) 11.942 11.579 ( 10.316 2.542 5.451) 11.942 12.054 ( 22.001 -7.122 -2.747) 23.288 12.054 ( 22.001 -7.122 2.747) 23.288 12.291 ( 7.433 -2.475 -5.612) 9.637 12.291 ( 7.433 -2.475 5.612) 9.637 12.603 ( 4.903 -4.421 -11.860) 13.574 12.603 ( 4.903 -4.421 11.860) 13.574 12.973 ( 1.151 10.998 -8.445) 13.914 12.973 ( 1.151 10.998 8.445) 13.914 13.582 ( 2.250 -6.011 -7.180) 9.631 13.582 ( 2.250 -6.011 7.180) 9.631 14.243 ( -1.810 3.764 -13.566) 14.194 14.243 ( -1.810 3.764 13.566) 14.194 14.451 ( 2.369 -0.410 -4.434) 5.043 14.451 ( 2.369 -0.410 4.434) 5.043 15.372 ( -4.874 5.796 -26.888) 27.934 15.372 ( -4.874 5.796 26.888) 27.934 15.908 ( 3.375 -6.470 -15.869) 17.466 15.908 ( 3.375 -6.470 15.869) 17.466 16.747 ( -8.800 4.854 -9.704) 13.970 16.747 ( -8.800 4.854 9.704) 13.970 17.249 ( -7.982 -8.577 -4.894) 12.698 17.249 ( -7.982 -8.577 4.894) 12.698 17.626 ( -5.154 6.991 -9.142) 12.610 17.626 ( -5.154 6.991 9.142) 12.610 18.585 ( -8.974 -16.550 -7.181) 20.149 18.585 ( -8.974 -16.550 7.181) 20.149 20.167 ( -1.569 5.787 -22.405) 23.194 20.167 ( -1.569 5.787 22.405) 23.194 20.351 ( 0.783 0.906 -12.428) 12.485 20.351 ( 0.783 0.906 12.428) 12.485 21.564 ( -8.173 4.999 -8.654) 12.910 21.564 ( -8.173 4.999 8.654) 12.910 21.843 ( -12.622 -1.822 -14.456) 19.277 21.843 ( -12.622 -1.822 14.456) 19.277 ======================= Grid point 303 (100/108) ======================= q-point: ( 0.30 0.20 -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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.991 ( 3.966 2.812 -4.197) 6.422 2.991 ( 3.966 2.812 4.197) 6.422 3.078 ( 6.567 3.983 -8.263) 11.281 3.078 ( 6.567 3.983 8.263) 11.281 3.236 ( -3.074 -3.876 -3.889) 6.293 3.236 ( -3.074 -3.876 3.889) 6.293 3.446 ( -0.656 2.743 -4.979) 5.722 3.446 ( -0.656 2.743 4.979) 5.722 3.667 ( 1.873 -2.990 -5.705) 6.708 3.667 ( 1.873 -2.990 5.705) 6.708 3.867 ( -4.934 -6.071 -5.378) 9.493 3.867 ( -4.934 -6.071 5.378) 9.493 4.154 ( -21.808 8.510 -5.472) 24.041 4.154 ( -21.808 8.510 5.472) 24.041 5.022 ( -14.599 -13.273 -15.561) 25.129 5.022 ( -14.599 -13.273 15.561) 25.129 5.674 ( 5.954 7.026 -22.531) 24.340 5.674 ( 5.954 7.026 22.531) 24.340 6.044 ( -0.317 6.624 -7.739) 10.192 6.044 ( -0.317 6.624 7.739) 10.192 6.289 ( 6.751 -1.767 -6.369) 9.448 6.289 ( 6.751 -1.767 6.369) 9.448 6.553 ( 4.649 -1.953 -4.489) 6.751 6.553 ( 4.649 -1.953 4.489) 6.751 7.815 ( 17.483 8.771 -3.166) 19.814 7.815 ( 17.483 8.771 3.166) 19.814 8.420 ( 17.579 -4.071 -8.917) 20.127 8.420 ( 17.579 -4.071 8.917) 20.127 8.825 ( -6.798 6.393 -4.062) 10.177 8.825 ( -6.798 6.393 4.062) 10.177 9.456 ( -2.745 -7.815 -8.763) 12.058 9.456 ( -2.745 -7.815 8.763) 12.058 11.190 ( 10.369 4.289 -0.876) 11.255 11.190 ( 10.369 4.289 0.876) 11.255 11.529 ( 5.462 -3.228 -3.317) 7.159 11.529 ( 5.462 -3.228 3.317) 7.159 11.899 ( 17.581 3.890 -5.774) 18.910 11.899 ( 17.581 3.890 5.774) 18.910 12.370 ( 4.925 -3.976 -8.272) 10.416 12.370 ( 4.925 -3.976 8.272) 10.416 12.478 ( 10.019 -1.011 -16.828) 19.610 12.478 ( 10.019 -1.011 16.828) 19.610 12.890 ( 24.510 -4.934 -11.918) 27.697 12.890 ( 24.510 -4.934 11.918) 27.697 13.181 ( 18.833 9.770 -10.665) 23.746 13.181 ( 18.833 9.770 10.665) 23.746 13.623 ( 3.742 -3.802 -6.580) 8.471 13.623 ( 3.742 -3.802 6.580) 8.471 14.235 ( 2.571 3.638 -12.589) 13.354 14.235 ( 2.571 3.638 12.589) 13.354 14.553 ( 8.371 -2.353 -3.094) 9.229 14.553 ( 8.371 -2.353 3.094) 9.229 15.266 ( -5.680 8.064 -22.720) 24.768 15.266 ( -5.680 8.064 22.720) 24.768 15.952 ( 1.396 -7.444 -12.472) 14.592 15.952 ( 1.396 -7.444 12.472) 14.592 16.571 ( -9.849 3.050 -4.097) 11.095 16.571 ( -9.849 3.050 4.097) 11.095 17.051 ( -11.639 -10.319 -4.372) 16.158 17.051 ( -11.639 -10.319 4.372) 16.158 17.504 ( -5.691 8.588 -9.572) 14.062 17.504 ( -5.691 8.588 9.572) 14.062 18.349 ( -14.632 -13.432 -4.201) 20.301 18.349 ( -14.632 -13.432 4.201) 20.301 20.173 ( 2.378 6.145 -19.662) 20.737 20.173 ( 2.378 6.145 19.662) 20.737 20.376 ( 1.620 0.858 -11.944) 12.084 20.376 ( 1.620 0.858 11.944) 12.084 21.389 ( -8.991 2.717 -9.916) 13.658 21.389 ( -8.991 2.717 9.916) 13.658 21.565 ( -14.588 -1.341 -13.698) 20.056 21.565 ( -14.588 -1.341 13.698) 20.056 ======================= Grid point 305 (101/108) ======================= q-point: ( 0.40 0.20 -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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.090 ( 5.547 1.510 -2.015) 6.092 3.090 ( 5.547 1.510 2.015) 6.092 3.189 ( 2.005 -0.217 -3.962) 4.446 3.189 ( 2.005 -0.217 3.962) 4.446 3.216 ( 4.339 2.473 -5.062) 7.111 3.216 ( 4.339 2.473 5.062) 7.111 3.391 ( -3.276 2.792 -3.373) 5.469 3.391 ( -3.276 2.792 3.373) 5.469 3.532 ( -9.910 -0.096 -2.969) 10.345 3.532 ( -9.910 -0.096 2.969) 10.345 3.739 ( -16.131 9.581 -7.737) 20.294 3.739 ( -16.131 9.581 7.737) 20.294 4.061 ( 14.587 -10.774 -17.303) 25.065 4.061 ( 14.587 -10.774 17.303) 25.065 4.715 ( -16.163 -14.375 -16.993) 27.507 4.715 ( -16.163 -14.375 16.993) 27.507 5.799 ( 6.300 7.932 -14.767) 17.908 5.799 ( 6.300 7.932 14.767) 17.908 6.005 ( -3.370 8.273 -3.856) 9.730 6.005 ( -3.370 8.273 3.856) 9.730 6.430 ( 6.914 -1.982 -3.471) 7.986 6.430 ( 6.914 -1.982 3.471) 7.986 6.596 ( -0.307 -2.209 -3.962) 4.546 6.596 ( -0.307 -2.209 3.962) 4.546 8.140 ( 14.977 8.517 -2.301) 17.382 8.140 ( 14.977 8.517 2.301) 17.382 8.596 ( -5.678 7.203 -1.533) 9.299 8.596 ( -5.678 7.203 1.533) 9.299 8.840 ( 13.507 -5.225 -8.153) 16.620 8.840 ( 13.507 -5.225 8.153) 16.620 9.347 ( -8.304 -8.289 -8.329) 14.388 9.347 ( -8.304 -8.289 8.329) 14.388 11.365 ( 7.632 1.910 -1.242) 7.965 11.365 ( 7.632 1.910 1.242) 7.965 11.562 ( -1.096 -2.380 -2.810) 3.842 11.562 ( -1.096 -2.380 2.810) 3.842 12.098 ( 5.399 0.848 -5.881) 8.028 12.098 ( 5.399 0.848 5.881) 8.028 12.327 ( -5.832 -4.499 -2.723) 7.853 12.327 ( -5.832 -4.499 2.723) 7.853 12.761 ( 16.271 8.535 -11.520) 21.687 12.761 ( 16.271 8.535 11.520) 21.687 13.252 ( -1.017 0.425 -6.643) 6.734 13.252 ( -1.017 0.425 6.643) 6.734 13.455 ( 17.775 2.039 -2.967) 18.136 13.455 ( 17.775 2.039 2.967) 18.136 13.800 ( 6.346 -4.775 -8.257) 11.457 13.800 ( 6.346 -4.775 8.257) 11.457 14.434 ( 17.175 2.270 -1.685) 17.406 14.434 ( 17.175 2.270 1.685) 17.406 14.791 ( 12.094 -7.109 -7.568) 15.940 14.791 ( 12.094 -7.109 7.568) 15.940 15.193 ( 3.300 12.429 -16.965) 21.288 15.193 ( 3.300 12.429 16.965) 21.288 15.952 ( -4.706 -6.435 -9.511) 12.410 15.952 ( -4.706 -6.435 9.511) 12.410 16.351 ( -8.699 2.484 -8.164) 12.186 16.351 ( -8.699 2.484 8.164) 12.186 16.763 ( -17.418 -6.619 -4.373) 19.140 16.763 ( -17.418 -6.619 4.373) 19.140 17.486 ( 5.141 2.810 -7.195) 9.278 17.486 ( 5.141 2.810 7.195) 9.278 18.022 ( -17.391 -9.834 -0.921) 20.000 18.022 ( -17.391 -9.834 0.921) 20.000 20.258 ( 5.706 5.610 -15.715) 17.635 20.258 ( 5.706 5.610 15.715) 17.635 20.402 ( 0.461 2.096 -10.815) 11.025 20.402 ( 0.461 2.096 10.815) 11.025 21.228 ( -6.428 0.374 -10.943) 12.696 21.228 ( -6.428 0.374 10.943) 12.696 21.300 ( -10.997 -1.064 -12.876) 16.966 21.300 ( -10.997 -1.064 12.876) 16.966 ======================= Grid point 307 (102/108) ======================= q-point: (-0.50 0.20 -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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.188 ( -4.329 0.302 -4.607) 6.329 3.188 ( 4.213 0.302 -4.595) 6.241 3.188 ( -4.213 0.302 4.595) 6.241 3.188 ( 4.329 0.302 4.607) 6.329 3.316 ( -7.347 0.123 -5.963) 9.463 3.316 ( 6.111 0.123 -5.806) 8.430 3.316 ( -6.111 0.123 5.806) 8.430 3.316 ( 7.347 0.123 5.963) 9.463 3.482 ( -8.496 8.263 -9.904) 15.445 3.482 ( 8.366 8.263 -9.892) 15.366 3.482 ( -8.366 8.263 9.892) 15.366 3.482 ( 8.496 8.263 9.904) 15.445 4.384 ( -16.724 -13.308 -17.997) 27.941 4.384 ( 16.379 -13.308 -17.962) 27.713 4.384 ( -16.379 -13.308 17.962) 27.713 4.384 ( 16.724 -13.308 17.997) 27.941 5.917 ( -5.316 8.463 -7.032) 12.221 5.917 ( 5.250 8.463 -7.027) 12.189 5.917 ( -5.250 8.463 7.027) 12.189 5.917 ( 5.316 8.463 7.032) 12.221 6.546 ( -4.184 -2.111 -3.239) 5.697 6.546 ( 3.001 -2.111 -3.090) 4.798 6.546 ( -3.001 -2.111 3.090) 4.798 6.546 ( 4.184 -2.111 3.239) 5.697 8.406 ( -11.695 8.476 -1.660) 14.539 8.406 ( -11.593 8.476 1.579) 14.448 8.406 ( 11.593 8.476 -1.579) 14.448 8.406 ( 11.695 8.476 1.660) 14.539 9.129 ( -13.374 -7.540 -8.036) 17.329 9.129 ( 13.373 -7.540 -8.036) 17.328 9.129 ( -13.373 -7.540 8.036) 17.328 9.129 ( 13.374 -7.540 8.036) 17.329 11.496 ( -5.136 -0.496 -2.270) 5.637 11.496 ( 1.877 -0.496 -1.616) 2.526 11.496 ( -1.877 -0.496 1.616) 2.526 11.496 ( 5.136 -0.496 2.270) 5.637 12.204 ( -5.895 -1.164 -5.107) 7.886 12.204 ( 5.895 -1.164 -5.107) 7.886 12.204 ( -5.895 -1.164 5.107) 7.886 12.204 ( 5.895 -1.164 5.107) 7.886 13.065 ( -13.476 6.575 -10.472) 18.289 13.065 ( 12.992 6.575 -10.404) 17.896 13.065 ( -12.992 6.575 10.404) 17.896 13.065 ( 13.476 6.575 10.472) 18.289 13.756 ( -9.230 -3.239 -1.559) 9.905 13.756 ( -8.286 -3.239 0.771) 8.930 13.756 ( 8.286 -3.239 -0.771) 8.930 13.756 ( 9.230 -3.239 1.559) 9.905 14.751 ( -11.940 -0.806 -10.410) 15.861 14.751 ( 10.641 -0.806 -10.252) 14.798 14.751 ( -10.641 -0.806 10.252) 14.798 14.751 ( 11.940 -0.806 10.410) 15.861 15.594 ( -27.259 2.631 -8.444) 28.658 15.594 ( -10.497 2.631 0.994) 10.867 15.594 ( 10.497 2.631 -0.994) 10.867 15.594 ( 27.259 2.631 8.444) 28.658 16.425 ( -13.288 -2.481 -8.188) 15.804 16.425 ( 8.718 -2.481 -7.474) 11.748 16.425 ( -8.718 -2.481 7.474) 11.748 16.425 ( 13.288 -2.481 8.188) 15.804 17.693 ( -14.341 -4.746 -3.479) 15.501 17.693 ( -10.500 -4.746 1.227) 11.588 17.693 ( 10.500 -4.746 -1.227) 11.588 17.693 ( 14.341 -4.746 3.479) 15.501 20.367 ( -4.045 4.211 -12.199) 13.525 20.367 ( 3.933 4.211 -12.195) 13.488 20.367 ( -3.933 4.211 12.195) 13.488 20.367 ( 4.045 4.211 12.199) 13.525 21.170 ( -1.381 -0.971 -12.261) 12.377 21.170 ( 1.364 -0.971 -12.261) 12.375 21.170 ( -1.364 -0.971 12.261) 12.375 21.170 ( 1.381 -0.971 12.261) 12.377 ======================= Grid point 319 (103/108) ======================= q-point: ( 0.00 0.40 -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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.827 ( 0.000 0.117 -15.023) 15.024 2.827 ( 0.000 0.117 15.023) 15.024 2.831 ( 0.000 -0.461 -16.040) 16.047 2.831 ( 0.000 -0.461 16.040) 16.047 3.195 ( 0.000 10.630 -22.165) 24.582 3.195 ( 0.000 10.630 22.165) 24.582 3.404 ( 0.000 -9.245 -19.672) 21.736 3.404 ( 0.000 -9.245 19.672) 21.736 3.797 ( 0.000 11.466 -3.132) 11.886 3.797 ( 0.000 11.466 3.132) 11.887 4.064 ( 0.000 -14.277 -4.000) 14.827 4.064 ( 0.000 -14.277 4.000) 14.827 5.430 ( 0.000 7.495 -7.971) 10.942 5.430 ( 0.000 7.495 7.971) 10.942 5.583 ( 0.000 -6.939 -13.148) 14.867 5.583 ( 0.000 -6.939 13.148) 14.867 5.750 ( 0.000 6.951 -18.208) 19.490 5.750 ( 0.000 6.951 18.208) 19.490 5.865 ( 0.000 -3.699 -18.232) 18.603 5.865 ( 0.000 -3.699 18.232) 18.603 5.969 ( 0.000 1.896 -18.891) 18.985 5.969 ( 0.000 1.896 18.891) 18.985 6.021 ( 0.000 -3.793 -11.302) 11.922 6.021 ( 0.000 -3.793 11.302) 11.922 7.299 ( 0.000 13.463 -13.844) 19.311 7.299 ( 0.000 13.463 13.844) 19.311 7.537 ( 0.000 -9.633 -15.238) 18.027 7.537 ( 0.000 -9.633 15.238) 18.027 9.250 ( 0.000 1.052 -8.406) 8.471 9.250 ( 0.000 1.052 8.406) 8.471 9.269 ( 0.000 -0.864 -11.097) 11.131 9.269 ( 0.000 -0.864 11.097) 11.131 10.330 ( 0.000 4.037 -7.946) 8.913 10.330 ( 0.000 4.037 7.946) 8.913 10.376 ( 0.000 -0.258 -5.761) 5.767 10.376 ( 0.000 -0.258 5.761) 5.767 11.413 ( 0.000 8.322 -1.539) 8.463 11.413 ( 0.000 8.322 1.539) 8.463 11.606 ( 0.000 -9.809 -2.327) 10.082 11.606 ( 0.000 -9.809 2.327) 10.082 12.232 ( 0.000 7.945 -16.083) 17.938 12.232 ( 0.000 7.945 16.083) 17.938 12.414 ( 0.000 -9.160 -11.396) 14.621 12.414 ( 0.000 -9.160 11.396) 14.621 13.167 ( 0.000 7.947 -14.300) 16.360 13.167 ( 0.000 7.947 14.300) 16.360 13.342 ( 0.000 -8.909 -14.207) 16.769 13.342 ( 0.000 -8.909 14.207) 16.769 14.365 ( 0.000 3.962 -11.311) 11.985 14.365 ( 0.000 3.962 11.311) 11.985 14.427 ( 0.000 -2.045 -9.895) 10.104 14.427 ( 0.000 -2.045 9.895) 10.104 15.583 ( 0.000 4.792 -25.073) 25.527 15.583 ( 0.000 4.792 25.073) 25.527 15.684 ( 0.000 -4.905 -22.002) 22.542 15.684 ( 0.000 -4.905 22.002) 22.542 17.189 ( 0.000 5.230 -13.301) 14.292 17.189 ( 0.000 5.230 13.301) 14.292 17.266 ( 0.000 -3.526 -4.794) 5.951 17.266 ( 0.000 -3.526 4.794) 5.951 17.862 ( 0.000 14.317 -9.615) 17.246 17.862 ( 0.000 14.317 9.615) 17.246 18.271 ( 0.000 -24.187 -10.621) 26.417 18.271 ( 0.000 -24.187 10.621) 26.417 20.325 ( 0.000 3.228 -23.568) 23.788 20.325 ( 0.000 3.228 23.568) 23.788 20.362 ( 0.000 -0.186 -17.870) 17.871 20.362 ( 0.000 -0.186 17.870) 17.871 21.911 ( 0.000 7.931 -12.901) 15.144 21.911 ( 0.000 7.931 12.901) 15.144 22.044 ( 0.000 -5.140 -14.940) 15.799 22.044 ( 0.000 -5.140 14.940) 15.799 ======================= Grid point 321 (104/108) ======================= q-point: ( 0.10 0.40 -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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.858 ( 3.832 1.967 -4.046) 5.910 2.858 ( 3.832 1.967 4.046) 5.910 2.903 ( 5.744 -2.393 -4.689) 7.791 2.903 ( 5.744 -2.393 4.689) 7.791 3.202 ( 0.572 10.064 -20.456) 22.805 3.202 ( 0.572 10.064 20.456) 22.805 3.402 ( -0.514 -8.979 -18.202) 20.303 3.402 ( -0.514 -8.979 18.202) 20.303 3.766 ( -2.855 10.604 -3.014) 11.388 3.766 ( -2.855 10.604 3.014) 11.388 4.014 ( -4.767 -13.327 -3.616) 14.608 4.014 ( -4.767 -13.327 3.616) 14.608 5.236 ( -17.695 8.669 -12.964) 23.587 5.236 ( -17.695 8.669 12.964) 23.587 5.410 ( -15.013 -8.111 -13.365) 21.675 5.410 ( -15.013 -8.111 13.365) 21.675 5.684 ( -0.165 8.704 -25.259) 26.717 5.684 ( -0.165 8.704 25.259) 26.717 5.869 ( 1.247 -8.790 -17.695) 19.797 5.869 ( 1.247 -8.790 17.695) 19.797 6.103 ( 9.388 4.623 -11.159) 15.298 6.103 ( 9.388 4.623 11.159) 15.298 6.183 ( 9.990 -2.836 -8.413) 13.365 6.183 ( 9.990 -2.836 8.413) 13.365 7.412 ( 10.869 13.140 -12.212) 20.975 7.412 ( 10.869 13.140 12.212) 20.975 7.646 ( 10.522 -9.552 -13.894) 19.874 7.646 ( 10.522 -9.552 13.894) 19.874 9.202 ( -3.188 5.239 -7.435) 9.638 9.202 ( -3.188 5.239 7.435) 9.638 9.306 ( 1.451 -4.961 -7.951) 9.484 9.306 ( 1.451 -4.961 7.951) 9.484 10.574 ( 22.677 3.747 -6.261) 23.822 10.574 ( 22.677 3.747 6.261) 23.822 10.611 ( 22.302 0.382 -4.958) 22.849 10.611 ( 22.302 0.382 4.958) 22.849 11.471 ( 5.998 6.893 -1.374) 9.240 11.471 ( 5.998 6.893 1.374) 9.240 11.643 ( 4.319 -9.326 -2.309) 10.534 11.643 ( 4.319 -9.326 2.309) 10.534 12.254 ( 2.277 7.020 -12.084) 14.159 12.254 ( 2.277 7.020 12.084) 14.159 12.423 ( 1.019 -8.744 -8.639) 12.333 12.423 ( 1.019 -8.744 8.639) 12.333 13.169 ( 0.496 9.352 -13.264) 16.237 13.169 ( 0.496 9.352 13.264) 16.237 13.363 ( 2.062 -9.454 -13.086) 16.275 13.363 ( 2.062 -9.454 13.086) 16.275 14.358 ( -0.741 4.061 -11.389) 12.114 14.358 ( -0.741 4.061 11.389) 12.114 14.420 ( -0.489 -1.963 -9.437) 9.651 14.420 ( -0.489 -1.963 9.437) 9.651 15.567 ( -1.379 6.545 -24.879) 25.762 15.567 ( -1.379 6.545 24.879) 25.762 15.706 ( 1.746 -6.830 -21.427) 22.556 15.706 ( 1.746 -6.830 21.427) 22.556 17.076 ( -9.227 7.130 -8.158) 14.231 17.076 ( -9.227 7.130 8.158) 14.231 17.218 ( -5.690 -7.123 -3.445) 9.746 17.218 ( -5.690 -7.123 3.445) 9.746 17.871 ( 0.299 14.766 -9.718) 17.680 17.871 ( 0.299 14.766 9.718) 17.680 18.264 ( -1.192 -22.743 -9.939) 24.848 18.264 ( -1.192 -22.743 9.939) 24.848 20.308 ( -1.486 3.861 -22.587) 22.963 20.308 ( -1.486 3.861 22.587) 22.963 20.356 ( -0.559 -0.722 -18.007) 18.031 20.356 ( -0.559 -0.722 18.007) 18.031 21.849 ( -6.058 7.445 -12.196) 15.520 21.849 ( -6.058 7.445 12.196) 15.520 21.975 ( -6.810 -4.884 -14.360) 16.626 21.975 ( -6.810 -4.884 14.360) 16.626 ======================= Grid point 323 (105/108) ======================= q-point: ( 0.20 0.40 -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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.959 ( 5.532 3.305 -5.044) 8.183 2.959 ( 5.532 3.305 5.044) 8.183 3.028 ( 5.948 -2.377 -3.789) 7.443 3.028 ( 5.948 -2.377 3.789) 7.443 3.220 ( 1.399 6.791 -13.630) 15.293 3.220 ( 1.399 6.791 13.630) 15.293 3.383 ( -0.353 -7.495 -14.845) 16.634 3.383 ( -0.353 -7.495 14.845) 16.634 3.698 ( -3.767 7.674 -2.709) 8.968 3.698 ( -3.767 7.674 2.709) 8.968 3.886 ( -7.704 -10.174 -2.561) 13.016 3.886 ( -7.704 -10.174 2.561) 13.016 4.826 ( -22.017 11.665 -11.510) 27.446 4.826 ( -22.017 11.665 11.510) 27.446 5.071 ( -18.037 -12.186 -12.235) 24.971 5.071 ( -18.037 -12.186 12.235) 24.971 5.738 ( 4.888 9.815 -23.638) 26.057 5.738 ( 4.888 9.815 23.638) 26.057 5.937 ( 5.160 -8.885 -16.645) 19.560 5.937 ( 5.160 -8.885 16.645) 19.560 6.252 ( 5.633 6.423 -7.700) 11.501 6.252 ( 5.633 6.423 7.700) 11.501 6.363 ( 7.675 -4.125 -5.082) 10.087 6.363 ( 7.675 -4.125 5.082) 10.087 7.696 ( 16.701 12.627 -8.904) 22.752 7.696 ( 16.701 12.627 8.904) 22.752 7.926 ( 16.694 -9.528 -11.031) 22.162 7.926 ( 16.694 -9.528 11.031) 22.162 9.123 ( -4.772 9.028 -6.730) 12.230 9.123 ( -4.772 9.028 6.730) 12.230 9.308 ( -1.319 -8.941 -7.814) 11.947 9.308 ( -1.319 -8.941 7.814) 11.947 11.049 ( 19.515 6.447 -0.533) 20.559 11.049 ( 19.515 6.447 0.533) 20.559 11.146 ( 25.240 -2.661 -1.319) 25.414 11.146 ( 25.240 -2.661 1.319) 25.414 11.672 ( 15.289 7.051 -4.254) 17.365 11.672 ( 15.289 7.051 4.254) 17.365 11.856 ( 19.530 -10.650 -4.503) 22.696 11.856 ( 19.530 -10.650 4.503) 22.696 12.328 ( 5.729 5.301 -6.318) 10.042 12.328 ( 5.729 5.301 6.318) 10.042 12.470 ( 4.927 -7.837 -9.407) 13.198 12.470 ( 4.927 -7.837 9.407) 13.198 13.211 ( 4.580 11.649 -11.088) 16.722 13.211 ( 4.580 11.649 11.088) 16.722 13.424 ( 4.085 -9.385 -10.900) 14.953 13.424 ( 4.085 -9.385 10.900) 14.953 14.336 ( -1.189 4.972 -12.095) 13.131 14.336 ( -1.189 4.972 12.095) 13.131 14.420 ( 0.787 -2.924 -8.176) 8.719 14.420 ( 0.787 -2.924 8.176) 8.719 15.532 ( -2.171 9.597 -24.859) 26.735 15.532 ( -2.171 9.597 24.859) 26.735 15.736 ( 0.969 -10.023 -21.374) 23.628 15.736 ( 0.969 -10.023 21.374) 23.628 16.873 ( -10.432 7.621 -4.192) 13.583 16.873 ( -10.432 7.621 4.192) 13.583 17.052 ( -10.217 -9.971 -2.837) 14.555 17.052 ( -10.217 -9.971 2.837) 14.555 17.843 ( -3.648 14.706 -9.491) 17.878 17.843 ( -3.648 14.706 9.491) 17.878 18.200 ( -5.713 -19.850 -8.223) 22.232 18.200 ( -5.713 -19.850 8.223) 22.232 20.282 ( -0.598 4.926 -20.558) 21.148 20.282 ( -0.598 4.926 20.558) 21.148 20.349 ( 0.183 -1.561 -17.170) 17.242 20.349 ( 0.183 -1.561 17.170) 17.242 21.682 ( -10.328 5.971 -10.748) 16.057 21.682 ( -10.328 5.971 10.748) 16.057 21.785 ( -11.866 -4.067 -13.019) 18.079 21.785 ( -11.866 -4.067 13.019) 18.079 ======================= Grid point 325 (106/108) ======================= q-point: ( 0.30 0.40 -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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.044 ( 3.097 3.022 -4.197) 6.028 3.044 ( 3.097 3.022 4.197) 6.028 3.116 ( 2.156 -3.417 -2.427) 4.713 3.116 ( 2.156 -3.417 2.427) 4.713 3.263 ( 4.249 9.010 -11.293) 15.059 3.263 ( 4.249 9.010 11.293) 15.059 3.444 ( 4.793 -5.968 -12.950) 15.044 3.444 ( 4.793 -5.968 12.950) 15.044 3.625 ( -2.808 1.916 -3.773) 5.078 3.625 ( -2.808 1.916 3.773) 5.078 3.726 ( -7.222 -6.797 -2.544) 10.239 3.726 ( -7.222 -6.797 2.544) 10.239 4.395 ( -20.725 14.567 -9.981) 27.228 4.395 ( -20.725 14.567 9.981) 27.228 4.713 ( -17.700 -16.383 -12.356) 27.099 4.713 ( -17.700 -16.383 12.356) 27.099 5.858 ( 6.741 10.442 -18.837) 22.568 5.858 ( 6.741 10.442 18.837) 22.568 6.050 ( 5.423 -7.010 -13.107) 15.822 6.050 ( 5.423 -7.010 13.107) 15.822 6.339 ( 3.549 7.135 -7.333) 10.829 6.339 ( 3.549 7.135 7.333) 10.829 6.479 ( 3.823 -5.600 -5.638) 8.818 6.479 ( 3.823 -5.600 5.638) 8.818 8.042 ( 17.353 12.645 -6.147) 22.334 8.042 ( 17.353 12.645 6.147) 22.334 8.278 ( 17.956 -9.931 -8.365) 22.159 8.278 ( 17.956 -9.931 8.365) 22.159 9.010 ( -6.602 11.379 -5.127) 14.119 9.010 ( -6.602 11.379 5.127) 14.119 9.251 ( -4.518 -11.817 -7.079) 14.497 9.251 ( -4.518 -11.817 7.079) 14.497 11.302 ( 7.913 6.432 -0.465) 10.208 11.302 ( 7.913 6.432 0.465) 10.208 11.432 ( 6.160 -6.091 -0.658) 8.688 11.432 ( 6.160 -6.091 0.658) 8.688 12.019 ( 12.485 7.943 -8.304) 16.968 12.019 ( 12.485 7.943 8.304) 16.968 12.203 ( 7.181 -9.779 -7.460) 14.242 12.203 ( 7.181 -9.779 7.460) 14.242 12.570 ( 20.317 7.778 -14.942) 26.393 12.570 ( 20.317 7.778 14.942) 26.393 12.746 ( 23.915 -8.801 -12.224) 28.263 12.746 ( 23.915 -8.801 12.224) 28.263 13.380 ( 11.876 9.008 -10.854) 18.439 13.380 ( 11.876 9.008 10.854) 18.439 13.527 ( 6.591 -5.750 -9.944) 13.243 13.527 ( 6.591 -5.750 9.944) 13.243 14.340 ( 2.902 6.435 -10.565) 12.706 14.340 ( 2.902 6.435 10.565) 12.706 14.469 ( 4.980 -5.789 -6.450) 9.996 14.469 ( 4.980 -5.789 6.450) 9.996 15.484 ( -2.356 12.774 -21.303) 24.951 15.484 ( -2.356 12.774 21.303) 24.951 15.746 ( 0.357 -12.437 -18.675) 22.440 15.746 ( 0.357 -12.437 18.675) 22.440 16.666 ( -10.808 6.483 -2.413) 12.833 16.666 ( -10.808 6.483 2.413) 12.833 16.835 ( -11.301 -10.191 -2.450) 15.413 16.835 ( -11.301 -10.191 2.450) 15.413 17.725 ( -7.631 13.337 -7.817) 17.239 17.725 ( -7.631 13.337 7.817) 17.239 18.031 ( -10.947 -16.566 -5.630) 20.639 18.031 ( -10.947 -16.566 5.630) 20.639 20.298 ( 2.396 5.446 -17.268) 18.264 20.298 ( 2.396 5.446 17.268) 18.264 20.372 ( 2.198 -1.725 -14.749) 15.011 20.372 ( 2.198 -1.725 14.749) 15.011 21.457 ( -11.709 3.671 -9.368) 15.439 21.457 ( -11.709 3.671 9.368) 15.439 21.524 ( -13.715 -2.786 -11.415) 18.060 21.524 ( -13.715 -2.786 11.415) 18.060 ======================= Grid point 327 (107/108) ======================= q-point: ( 0.40 0.40 -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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.112 ( 3.999 1.425 -3.013) 5.206 3.112 ( 3.999 1.425 3.013) 5.206 3.152 ( 3.192 -2.316 -3.874) 5.529 3.152 ( 3.192 -2.316 3.874) 5.529 3.350 ( -0.406 7.169 -9.542) 11.942 3.350 ( -0.406 7.169 9.542) 11.942 3.429 ( -4.830 -0.491 -8.237) 9.561 3.429 ( -4.830 -0.491 8.237) 9.561 3.563 ( 0.228 5.757 -6.970) 9.043 3.563 ( 0.228 5.757 6.970) 9.043 3.782 ( 11.221 -13.413 -14.574) 22.765 3.782 ( 11.221 -13.413 14.574) 22.765 4.020 ( -16.425 15.576 -11.228) 25.268 4.020 ( -16.425 15.576 11.228) 25.268 4.373 ( -16.386 -18.320 -14.671) 28.624 4.373 ( -16.386 -18.320 14.671) 28.624 5.991 ( 6.216 9.884 -12.262) 16.932 5.991 ( 6.216 9.884 12.262) 16.932 6.121 ( 1.117 -0.297 -5.169) 5.296 6.121 ( 1.117 -0.297 5.169) 5.296 6.409 ( 3.671 2.338 -3.797) 5.776 6.409 ( 3.671 2.338 3.797) 5.776 6.515 ( -0.147 -5.755 -4.843) 7.523 6.515 ( -0.147 -5.755 4.843) 7.523 8.368 ( 15.168 13.143 -4.465) 20.561 8.368 ( 15.168 13.143 4.465) 20.561 8.618 ( 15.566 -9.864 -6.480) 19.535 8.618 ( 15.566 -9.864 6.480) 19.535 8.858 ( -8.511 11.476 -3.902) 14.810 8.858 ( -8.511 11.476 3.902) 14.810 9.124 ( -8.408 -13.157 -6.203) 16.801 9.124 ( -8.408 -13.157 6.203) 16.801 11.421 ( 4.618 3.512 -0.601) 5.832 11.421 ( 4.618 3.512 0.601) 5.832 11.497 ( 1.225 -3.798 -0.303) 4.002 11.497 ( 1.225 -3.798 0.303) 4.002 12.139 ( 2.481 3.339 -4.803) 6.354 12.139 ( 2.481 3.339 4.803) 6.354 12.227 ( -1.811 -5.057 -1.095) 5.482 12.227 ( -1.811 -5.057 1.095) 5.482 12.966 ( 16.469 11.081 -8.568) 21.620 12.966 ( 16.469 11.081 8.568) 21.620 13.172 ( 13.247 -8.286 -5.572) 16.589 13.172 ( 13.247 -8.286 5.572) 16.589 13.553 ( 5.452 6.852 -4.824) 9.997 13.553 ( 5.452 6.852 4.824) 9.997 13.688 ( 5.575 -6.138 -6.923) 10.802 13.688 ( 5.575 -6.138 6.923) 10.802 14.512 ( 13.837 5.462 -3.161) 15.208 14.512 ( 13.837 5.462 3.161) 15.208 14.644 ( 11.301 -7.304 -4.488) 14.185 14.644 ( 11.301 -7.304 4.488) 14.185 15.472 ( 2.955 14.738 -15.493) 21.586 15.472 ( 2.955 14.738 15.493) 21.586 15.756 ( -0.086 -12.636 -12.398) 17.703 15.756 ( -0.086 -12.636 12.398) 17.703 16.439 ( -10.758 6.342 -3.824) 13.061 16.439 ( -10.758 6.342 3.824) 13.061 16.597 ( -12.834 -8.887 -1.222) 15.659 16.597 ( -12.834 -8.887 1.222) 15.659 17.592 ( -4.038 7.862 -4.637) 9.981 17.592 ( -4.038 7.862 4.637) 9.981 17.793 ( -11.877 -11.635 -2.430) 16.803 17.793 ( -11.877 -11.635 2.430) 16.803 20.373 ( 4.620 4.844 -11.820) 13.584 20.373 ( 4.620 4.844 11.820) 13.584 20.427 ( 2.772 -0.384 -9.936) 10.322 20.427 ( 2.772 -0.384 9.936) 10.323 21.243 ( -8.888 1.124 -7.016) 11.379 21.243 ( -8.888 1.124 7.016) 11.379 21.272 ( -10.593 -1.582 -8.496) 13.671 21.272 ( -10.593 -1.582 8.496) 13.671 ======================= Grid point 329 (108/108) ======================= q-point: (-0.50 0.40 -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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.200 ( -3.211 0.636 -2.739) 4.268 3.200 ( 3.149 0.636 -2.731) 4.217 3.200 ( -3.149 0.636 2.731) 4.217 3.200 ( 3.211 0.636 2.739) 4.268 3.308 ( -4.038 -0.531 -2.888) 4.992 3.308 ( 3.691 -0.531 -2.836) 4.685 3.308 ( -3.691 -0.531 2.836) 4.685 3.308 ( 4.038 -0.531 2.888) 4.992 3.722 ( -11.883 14.819 -14.461) 23.874 3.722 ( 11.266 14.819 -14.406) 23.539 3.722 ( -11.266 14.819 14.406) 23.539 3.722 ( 11.883 14.819 14.461) 23.874 4.062 ( -14.424 -17.286 -16.915) 28.160 4.062 ( 13.739 -17.286 -16.852) 27.777 4.062 ( -13.739 -17.286 16.852) 27.777 4.062 ( 14.424 -17.286 16.915) 28.160 6.093 ( -3.618 6.828 -4.747) 9.069 6.093 ( 3.558 6.828 -4.742) 9.042 6.093 ( -3.558 6.828 4.742) 9.042 6.093 ( 3.618 6.828 4.747) 9.069 6.480 ( -2.938 -3.527 -3.148) 5.566 6.480 ( 2.607 -3.527 -3.115) 5.379 6.480 ( -2.607 -3.527 3.115) 5.379 6.480 ( 2.938 -3.527 3.148) 5.566 8.638 ( -11.684 13.680 -3.489) 18.326 8.638 ( -10.330 13.680 2.977) 17.399 8.638 ( 10.330 13.680 -2.977) 17.399 8.638 ( 11.684 13.680 3.489) 18.326 8.916 ( -12.208 -12.999 -6.023) 18.822 8.916 ( 12.207 -12.999 -6.023) 18.822 8.916 ( -12.207 -12.999 6.023) 18.822 8.916 ( 12.208 -12.999 6.023) 18.822 11.489 ( -1.906 -0.161 -0.730) 2.047 11.489 ( -0.368 -0.161 -0.380) 0.553 11.489 ( 0.368 -0.161 0.381) 0.553 11.489 ( 1.906 -0.161 0.730) 2.047 12.181 ( -2.256 -0.789 -2.314) 3.327 12.181 ( 2.255 -0.789 -2.314) 3.327 12.181 ( -2.255 -0.789 2.314) 3.327 12.181 ( 2.256 -0.789 2.314) 3.327 13.208 ( -7.210 5.650 -4.691) 10.291 13.208 ( 6.649 5.650 -4.598) 9.863 13.208 ( -6.649 5.650 4.598) 9.863 13.208 ( 7.210 5.650 4.691) 10.291 13.673 ( -5.340 -3.775 -1.715) 6.761 13.673 ( -1.497 -3.775 -0.153) 4.064 13.673 ( 1.497 -3.775 0.153) 4.064 13.673 ( 5.340 -3.775 1.715) 6.761 14.739 ( -4.654 -0.278 -3.928) 6.096 14.739 ( 3.643 -0.278 -3.807) 5.277 14.739 ( -3.643 -0.278 3.807) 5.277 14.739 ( 4.654 -0.278 3.928) 6.096 15.647 ( -11.399 1.924 -4.679) 12.471 15.647 ( 4.233 1.924 -3.073) 5.573 15.647 ( -4.233 1.924 3.073) 5.573 15.647 ( 11.399 1.924 4.679) 12.471 16.372 ( -6.116 -1.998 -5.031) 8.167 16.372 ( 4.677 -1.998 -4.857) 7.032 16.372 ( -4.677 -1.998 4.857) 7.032 16.372 ( 6.116 -1.998 5.031) 8.168 17.607 ( -5.418 -2.732 -1.554) 6.264 17.607 ( -2.868 -2.732 -0.257) 3.969 17.607 ( 2.868 -2.732 0.257) 3.969 17.607 ( 5.418 -2.732 1.554) 6.264 20.446 ( -1.430 2.597 -5.248) 6.027 20.446 ( 1.332 2.597 -5.245) 6.002 20.446 ( -1.332 2.597 5.245) 6.002 20.446 ( 1.430 2.597 5.248) 6.027 21.150 ( -0.525 -0.717 -5.237) 5.312 21.150 ( 0.505 -0.717 -5.237) 5.310 21.150 ( -0.505 -0.717 5.237) 5.310 21.150 ( 0.525 -0.717 5.237) 5.312 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/36000 10.0 7710.406 6162.325 7143.891 0.000 0.000 0.000 3/36000 20.0 2337.785 2338.380 2416.708 0.000 0.000 0.000 3/36000 30.0 873.907 822.068 903.206 0.000 0.000 0.000 3/36000 40.0 437.712 399.116 453.254 0.000 0.000 0.000 3/36000 50.0 268.389 241.613 277.318 0.000 0.000 0.000 3/36000 60.0 185.817 166.139 191.677 0.000 0.000 -0.000 3/36000 70.0 138.415 123.106 142.695 0.000 0.000 -0.000 3/36000 80.0 108.141 95.704 111.475 0.000 0.000 -0.000 3/36000 90.0 87.412 76.978 90.099 0.000 0.000 -0.000 3/36000 100.0 72.520 63.554 74.730 0.000 0.000 -0.000 3/36000 110.0 61.439 53.589 63.276 0.000 0.000 -0.000 3/36000 120.0 52.963 45.987 54.503 0.000 0.000 -0.000 3/36000 130.0 46.330 40.056 47.630 0.000 0.000 -0.000 3/36000 140.0 41.040 35.340 42.143 0.000 0.000 -0.000 3/36000 150.0 36.749 31.528 37.690 0.000 0.000 -0.000 3/36000 160.0 33.217 28.399 34.024 0.000 0.000 -0.000 3/36000 170.0 30.272 25.798 30.967 0.000 0.000 -0.000 3/36000 180.0 27.787 23.610 28.389 0.000 0.000 -0.000 3/36000 190.0 25.668 21.750 26.190 0.000 0.000 -0.000 3/36000 200.0 23.843 20.153 24.299 0.000 0.000 -0.000 3/36000 210.0 22.257 18.769 22.656 0.000 0.000 -0.000 3/36000 220.0 20.869 17.561 21.220 0.000 0.000 -0.000 3/36000 230.0 19.644 16.498 19.954 0.000 0.000 -0.000 3/36000 240.0 18.556 15.556 18.830 0.000 0.000 -0.000 3/36000 250.0 17.584 14.717 17.828 0.000 0.000 -0.000 3/36000 260.0 16.711 13.965 16.928 0.000 0.000 -0.000 3/36000 270.0 15.923 13.287 16.116 0.000 0.000 -0.000 3/36000 280.0 15.207 12.674 15.381 0.000 0.000 -0.000 3/36000 290.0 14.555 12.115 14.711 0.000 0.000 -0.000 3/36000 300.0 13.958 11.606 14.098 0.000 0.000 -0.000 3/36000 310.0 13.410 11.138 13.536 0.000 0.000 -0.000 3/36000 320.0 12.904 10.708 13.019 0.000 0.000 -0.000 3/36000 330.0 12.437 10.311 12.541 0.000 0.000 -0.000 3/36000 340.0 12.003 9.944 12.098 0.000 0.000 -0.000 3/36000 350.0 11.600 9.602 11.686 0.000 0.000 -0.000 3/36000 360.0 11.224 9.285 11.302 0.000 0.000 -0.000 3/36000 370.0 10.873 8.988 10.944 0.000 0.000 -0.000 3/36000 380.0 10.543 8.710 10.608 0.000 0.000 -0.000 3/36000 390.0 10.234 8.450 10.294 0.000 0.000 -0.000 3/36000 400.0 9.943 8.205 9.998 0.000 0.000 -0.000 3/36000 410.0 9.668 7.975 9.719 0.000 0.000 -0.000 3/36000 420.0 9.409 7.757 9.456 0.000 0.000 -0.000 3/36000 430.0 9.164 7.552 9.207 0.000 0.000 -0.000 3/36000 440.0 8.932 7.357 8.971 0.000 0.000 -0.000 3/36000 450.0 8.712 7.173 8.748 0.000 0.000 -0.000 3/36000 460.0 8.502 6.998 8.536 0.000 0.000 -0.000 3/36000 470.0 8.303 6.832 8.334 0.000 0.000 -0.000 3/36000 480.0 8.113 6.673 8.142 0.000 0.000 -0.000 3/36000 490.0 7.932 6.522 7.959 0.000 0.000 -0.000 3/36000 500.0 7.759 6.378 7.784 0.000 0.000 -0.000 3/36000 510.0 7.594 6.241 7.617 0.000 0.000 -0.000 3/36000 520.0 7.436 6.109 7.457 0.000 0.000 -0.000 3/36000 530.0 7.284 5.983 7.304 0.000 0.000 -0.000 3/36000 540.0 7.139 5.862 7.157 0.000 0.000 -0.000 3/36000 550.0 6.999 5.747 7.016 0.000 0.000 -0.000 3/36000 560.0 6.865 5.635 6.881 0.000 0.000 -0.000 3/36000 570.0 6.737 5.529 6.751 0.000 0.000 -0.000 3/36000 580.0 6.613 5.426 6.626 0.000 0.000 -0.000 3/36000 590.0 6.493 5.327 6.506 0.000 0.000 -0.000 3/36000 600.0 6.378 5.232 6.390 0.000 0.000 -0.000 3/36000 610.0 6.267 5.140 6.278 0.000 0.000 -0.000 3/36000 620.0 6.160 5.051 6.170 0.000 0.000 -0.000 3/36000 630.0 6.057 4.966 6.066 0.000 0.000 -0.000 3/36000 640.0 5.957 4.883 5.965 0.000 0.000 -0.000 3/36000 650.0 5.861 4.803 5.868 0.000 0.000 -0.000 3/36000 660.0 5.767 4.726 5.774 0.000 0.000 -0.000 3/36000 670.0 5.677 4.651 5.683 0.000 0.000 -0.000 3/36000 680.0 5.589 4.579 5.595 0.000 0.000 -0.000 3/36000 690.0 5.504 4.509 5.510 0.000 0.000 -0.000 3/36000 700.0 5.422 4.441 5.427 0.000 0.000 -0.000 3/36000 710.0 5.342 4.375 5.347 0.000 0.000 -0.000 3/36000 720.0 5.265 4.311 5.269 0.000 0.000 -0.000 3/36000 730.0 5.190 4.249 5.193 0.000 0.000 -0.000 3/36000 740.0 5.117 4.189 5.120 0.000 0.000 -0.000 3/36000 750.0 5.046 4.131 5.049 0.000 0.000 -0.000 3/36000 760.0 4.977 4.074 4.980 0.000 0.000 -0.000 3/36000 770.0 4.910 4.019 4.912 0.000 0.000 -0.000 3/36000 780.0 4.844 3.965 4.847 0.000 0.000 -0.000 3/36000 790.0 4.781 3.913 4.783 0.000 0.000 -0.000 3/36000 800.0 4.719 3.862 4.721 0.000 0.000 -0.000 3/36000 810.0 4.659 3.812 4.660 0.000 0.000 -0.000 3/36000 820.0 4.600 3.764 4.601 0.000 0.000 -0.000 3/36000 830.0 4.543 3.717 4.544 0.000 0.000 -0.000 3/36000 840.0 4.487 3.671 4.488 0.000 0.000 -0.000 3/36000 850.0 4.432 3.626 4.433 0.000 0.000 -0.000 3/36000 860.0 4.379 3.582 4.380 0.000 0.000 -0.000 3/36000 870.0 4.327 3.540 4.328 0.000 0.000 -0.000 3/36000 880.0 4.277 3.498 4.277 0.000 0.000 -0.000 3/36000 890.0 4.227 3.458 4.228 0.000 0.000 -0.000 3/36000 900.0 4.179 3.418 4.179 0.000 0.000 -0.000 3/36000 910.0 4.132 3.379 4.132 0.000 0.000 -0.000 3/36000 920.0 4.086 3.341 4.086 0.000 0.000 -0.000 3/36000 930.0 4.041 3.304 4.040 0.000 0.000 -0.000 3/36000 940.0 3.997 3.268 3.996 0.000 0.000 -0.000 3/36000 950.0 3.954 3.233 3.953 0.000 0.000 -0.000 3/36000 960.0 3.911 3.198 3.911 0.000 0.000 -0.000 3/36000 970.0 3.870 3.164 3.869 0.000 0.000 -0.000 3/36000 980.0 3.830 3.131 3.829 0.000 0.000 -0.000 3/36000 990.0 3.790 3.098 3.789 0.000 0.000 -0.000 3/36000 1000.0 3.751 3.067 3.750 0.000 0.000 -0.000 3/36000 Thermal conductivity related properties were written into "kappa-m10510.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:04:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|