----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:10:34]------------------------- 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: P2_1/m (11) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.352640630083399 0.000000000000000 0.000000000000000 b 0.000000000000000 7.459959459999999 0.000000000000000 c -0.246535668792480 0.000000000000000 6.390066106333519 Atomic positions (fractional): *1 Li 0.92948306493793 0.25000000000000 0.08016404141011 6.941 *2 Li 0.65191557951118 0.52094343491647 0.86315806547885 6.941 3 Li 0.65191557951118 0.97905656508353 0.86315806547885 6.941 *4 Li 0.59791153599969 0.25000000000000 0.31664142813896 6.941 5 Li 0.40208846400032 0.75000000000000 0.68335857186104 6.941 6 Li 0.34808442048881 0.02094343491648 0.13684193452114 6.941 7 Li 0.34808442048881 0.47905656508353 0.13684193452114 6.941 8 Li 0.07051693506207 0.75000000000000 0.91983595858989 6.941 *9 H 0.80953520791639 0.53495428604944 0.22909871132254 1.008 10 H 0.80953520791639 0.96504571395056 0.22909871132254 1.008 *11 H 0.84386736219196 0.75000000000000 0.62601600101576 1.008 12 H 0.15613263780804 0.25000000000000 0.37398399898424 1.008 13 H 0.19046479208361 0.03495428604944 0.77090128867746 1.008 14 H 0.19046479208361 0.46504571395056 0.77090128867746 1.008 *15 Br 0.85339721875993 0.25000000000000 0.66506636716472 79.904 16 Br 0.14660278124007 0.75000000000000 0.33493363283528 79.904 *17 O 0.70979918890862 0.05291557617672 0.14863953567622 15.999 18 O 0.70979918890862 0.44708442382328 0.14863953567622 15.999 *19 O 0.75589579250881 0.75000000000000 0.75782637720568 15.999 20 O 0.24410420749119 0.25000000000000 0.24217362279432 15.999 21 O 0.29020081109138 0.55291557617672 0.85136046432378 15.999 22 O 0.29020081109138 0.94708442382328 0.85136046432378 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.352640630083399 0.000000000000000 0.000000000000000 b 0.000000000000000 7.459959459999999 0.000000000000000 c -0.246535668792480 0.000000000000000 6.390066106333519 Atomic positions (fractional): *1 Li 0.92948306493793 0.25000000000000 0.08016404141011 6.941 > 1 *2 Li 0.65191557951118 0.52094343491647 0.86315806547885 6.941 > 2 3 Li 0.65191557951118 0.97905656508353 0.86315806547885 6.941 > 3 *4 Li 0.59791153599969 0.25000000000000 0.31664142813896 6.941 > 4 5 Li 0.40208846400032 0.75000000000000 0.68335857186104 6.941 > 5 6 Li 0.34808442048881 0.02094343491648 0.13684193452114 6.941 > 6 7 Li 0.34808442048881 0.47905656508353 0.13684193452114 6.941 > 7 8 Li 0.07051693506207 0.75000000000000 0.91983595858989 6.941 > 8 *9 H 0.80953520791639 0.53495428604944 0.22909871132254 1.008 > 9 10 H 0.80953520791639 0.96504571395056 0.22909871132254 1.008 > 10 *11 H 0.84386736219196 0.75000000000000 0.62601600101576 1.008 > 11 12 H 0.15613263780804 0.25000000000000 0.37398399898424 1.008 > 12 13 H 0.19046479208361 0.03495428604944 0.77090128867746 1.008 > 13 14 H 0.19046479208361 0.46504571395056 0.77090128867746 1.008 > 14 *15 Br 0.85339721875993 0.25000000000000 0.66506636716472 79.904 > 15 16 Br 0.14660278124007 0.75000000000000 0.33493363283528 79.904 > 16 *17 O 0.70979918890862 0.05291557617672 0.14863953567622 15.999 > 17 18 O 0.70979918890862 0.44708442382328 0.14863953567622 15.999 > 18 *19 O 0.75589579250881 0.75000000000000 0.75782637720568 15.999 > 19 20 O 0.24410420749119 0.25000000000000 0.24217362279432 15.999 > 20 21 O 0.29020081109138 0.55291557617672 0.85136046432378 15.999 > 21 22 O 0.29020081109138 0.94708442382328 0.85136046432378 15.999 > 22 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.705281260166798 0.000000000000000 0.000000000000000 b 0.000000000000000 7.459959459999999 0.000000000000000 c -0.493071337584960 0.000000000000000 12.780132212667038 Atomic positions (fractional): *1 Li 0.46474153246897 0.25000000000000 0.04008202070505 6.941 > 1 2 Li 0.96474153246897 0.25000000000000 0.04008202070505 6.941 > 1 3 Li 0.46474153246897 0.25000000000000 0.54008202070505 6.941 > 1 4 Li 0.96474153246897 0.25000000000000 0.54008202070505 6.941 > 1 *5 Li 0.32595778975559 0.52094343491647 0.43157903273943 6.941 > 2 6 Li 0.82595778975559 0.52094343491647 0.43157903273943 6.941 > 2 7 Li 0.32595778975559 0.52094343491647 0.93157903273943 6.941 > 2 8 Li 0.82595778975559 0.52094343491647 0.93157903273943 6.941 > 2 9 Li 0.32595778975559 0.97905656508353 0.43157903273943 6.941 > 3 10 Li 0.82595778975559 0.97905656508353 0.43157903273943 6.941 > 3 11 Li 0.32595778975559 0.97905656508353 0.93157903273943 6.941 > 3 12 Li 0.82595778975559 0.97905656508353 0.93157903273943 6.941 > 3 *13 Li 0.29895576799984 0.25000000000000 0.15832071406948 6.941 > 4 14 Li 0.79895576799984 0.25000000000000 0.15832071406948 6.941 > 4 15 Li 0.29895576799984 0.25000000000000 0.65832071406948 6.941 > 4 16 Li 0.79895576799984 0.25000000000000 0.65832071406948 6.941 > 4 17 Li 0.20104423200016 0.75000000000000 0.34167928593052 6.941 > 5 18 Li 0.70104423200016 0.75000000000000 0.34167928593052 6.941 > 5 19 Li 0.20104423200016 0.75000000000000 0.84167928593052 6.941 > 5 20 Li 0.70104423200016 0.75000000000000 0.84167928593052 6.941 > 5 21 Li 0.17404221024441 0.02094343491648 0.06842096726057 6.941 > 6 22 Li 0.67404221024441 0.02094343491648 0.06842096726057 6.941 > 6 23 Li 0.17404221024441 0.02094343491648 0.56842096726057 6.941 > 6 24 Li 0.67404221024441 0.02094343491648 0.56842096726057 6.941 > 6 25 Li 0.17404221024441 0.47905656508353 0.06842096726057 6.941 > 7 26 Li 0.67404221024441 0.47905656508353 0.06842096726057 6.941 > 7 27 Li 0.17404221024441 0.47905656508353 0.56842096726057 6.941 > 7 28 Li 0.67404221024441 0.47905656508353 0.56842096726057 6.941 > 7 29 Li 0.03525846753103 0.75000000000000 0.45991797929495 6.941 > 8 30 Li 0.53525846753103 0.75000000000000 0.45991797929495 6.941 > 8 31 Li 0.03525846753103 0.75000000000000 0.95991797929495 6.941 > 8 32 Li 0.53525846753103 0.75000000000000 0.95991797929495 6.941 > 8 *33 H 0.40476760395819 0.53495428604944 0.11454935566127 1.008 > 9 34 H 0.90476760395819 0.53495428604944 0.11454935566127 1.008 > 9 35 H 0.40476760395819 0.53495428604944 0.61454935566127 1.008 > 9 36 H 0.90476760395819 0.53495428604944 0.61454935566127 1.008 > 9 37 H 0.40476760395819 0.96504571395056 0.11454935566127 1.008 > 10 38 H 0.90476760395819 0.96504571395056 0.11454935566127 1.008 > 10 39 H 0.40476760395819 0.96504571395056 0.61454935566127 1.008 > 10 40 H 0.90476760395819 0.96504571395056 0.61454935566127 1.008 > 10 *41 H 0.42193368109598 0.75000000000000 0.31300800050788 1.008 > 11 42 H 0.92193368109598 0.75000000000000 0.31300800050788 1.008 > 11 43 H 0.42193368109598 0.75000000000000 0.81300800050788 1.008 > 11 44 H 0.92193368109598 0.75000000000000 0.81300800050788 1.008 > 11 45 H 0.07806631890402 0.25000000000000 0.18699199949212 1.008 > 12 46 H 0.57806631890402 0.25000000000000 0.18699199949212 1.008 > 12 47 H 0.07806631890402 0.25000000000000 0.68699199949212 1.008 > 12 48 H 0.57806631890402 0.25000000000000 0.68699199949212 1.008 > 12 49 H 0.09523239604181 0.03495428604944 0.38545064433873 1.008 > 13 50 H 0.59523239604181 0.03495428604944 0.38545064433873 1.008 > 13 51 H 0.09523239604181 0.03495428604944 0.88545064433873 1.008 > 13 52 H 0.59523239604181 0.03495428604944 0.88545064433873 1.008 > 13 53 H 0.09523239604181 0.46504571395056 0.38545064433873 1.008 > 14 54 H 0.59523239604181 0.46504571395056 0.38545064433873 1.008 > 14 55 H 0.09523239604181 0.46504571395056 0.88545064433873 1.008 > 14 56 H 0.59523239604181 0.46504571395056 0.88545064433873 1.008 > 14 *57 Br 0.42669860937997 0.25000000000000 0.33253318358236 79.904 > 15 58 Br 0.92669860937997 0.25000000000000 0.33253318358236 79.904 > 15 59 Br 0.42669860937997 0.25000000000000 0.83253318358236 79.904 > 15 60 Br 0.92669860937997 0.25000000000000 0.83253318358236 79.904 > 15 61 Br 0.07330139062003 0.75000000000000 0.16746681641764 79.904 > 16 62 Br 0.57330139062003 0.75000000000000 0.16746681641764 79.904 > 16 63 Br 0.07330139062003 0.75000000000000 0.66746681641764 79.904 > 16 64 Br 0.57330139062003 0.75000000000000 0.66746681641764 79.904 > 16 *65 O 0.35489959445431 0.05291557617672 0.07431976783811 15.999 > 17 66 O 0.85489959445431 0.05291557617672 0.07431976783811 15.999 > 17 67 O 0.35489959445431 0.05291557617672 0.57431976783811 15.999 > 17 68 O 0.85489959445431 0.05291557617672 0.57431976783811 15.999 > 17 69 O 0.35489959445431 0.44708442382328 0.07431976783811 15.999 > 18 70 O 0.85489959445431 0.44708442382328 0.07431976783811 15.999 > 18 71 O 0.35489959445431 0.44708442382328 0.57431976783811 15.999 > 18 72 O 0.85489959445431 0.44708442382328 0.57431976783811 15.999 > 18 *73 O 0.37794789625441 0.75000000000000 0.37891318860284 15.999 > 19 74 O 0.87794789625440 0.75000000000000 0.37891318860284 15.999 > 19 75 O 0.37794789625441 0.75000000000000 0.87891318860284 15.999 > 19 76 O 0.87794789625440 0.75000000000000 0.87891318860284 15.999 > 19 77 O 0.12205210374559 0.25000000000000 0.12108681139716 15.999 > 20 78 O 0.62205210374560 0.25000000000000 0.12108681139716 15.999 > 20 79 O 0.12205210374559 0.25000000000000 0.62108681139716 15.999 > 20 80 O 0.62205210374560 0.25000000000000 0.62108681139716 15.999 > 20 81 O 0.14510040554569 0.55291557617672 0.42568023216189 15.999 > 21 82 O 0.64510040554569 0.55291557617672 0.42568023216189 15.999 > 21 83 O 0.14510040554569 0.55291557617672 0.92568023216189 15.999 > 21 84 O 0.64510040554569 0.55291557617672 0.92568023216189 15.999 > 21 85 O 0.14510040554569 0.94708442382328 0.42568023216189 15.999 > 22 86 O 0.64510040554569 0.94708442382328 0.42568023216189 15.999 > 22 87 O 0.14510040554569 0.94708442382328 0.92568023216189 15.999 > 22 88 O 0.64510040554569 0.94708442382328 0.92568023216189 15.999 > 22 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5154070 0.0000000 -0.0248816 0.0000000 2.5147707 0.0000000 -0.0248811 0.0000000 2.5439189 -------------------------- Born effective charges -------------------------- 1 Li 0.8269494 0.0000000 0.0146853 0.0000000 0.9263993 0.0000000 0.0313447 0.0000000 1.1513962 2 Li 1.0161070 -0.1162167 -0.0556786 -0.0803597 0.9948863 0.0485698 -0.0653087 -0.0053747 0.9132174 3 Li 1.0161070 0.1162167 -0.0556786 0.0803597 0.9948863 -0.0485698 -0.0653087 0.0053747 0.9132174 4 Li 1.0181892 0.0000000 0.1142970 0.0000000 0.8669423 0.0000000 0.1093068 0.0000000 1.0044117 5 Li 1.0181892 0.0000000 0.1142970 0.0000000 0.8669423 0.0000000 0.1093068 0.0000000 1.0044117 6 Li 1.0161070 0.1162167 -0.0556786 0.0803597 0.9948863 -0.0485698 -0.0653087 0.0053747 0.9132174 7 Li 1.0161070 -0.1162167 -0.0556786 -0.0803597 0.9948863 0.0485698 -0.0653087 -0.0053747 0.9132174 8 Li 0.8269494 0.0000000 0.0146853 0.0000000 0.9263993 0.0000000 0.0313447 0.0000000 1.1513962 9 H 0.4557755 0.1418585 0.0609165 0.1703603 0.4467247 0.0112396 0.0736297 0.0031676 0.2831237 10 H 0.4557755 -0.1418585 0.0609165 -0.1703603 0.4467247 -0.0112396 0.0736297 -0.0031676 0.2831237 11 H 0.4263405 0.0000000 -0.1493668 0.0000000 0.3386583 0.0000000 -0.1906288 0.0000000 0.4537086 12 H 0.4263405 0.0000000 -0.1493668 0.0000000 0.3386583 0.0000000 -0.1906288 0.0000000 0.4537086 13 H 0.4557755 -0.1418585 0.0609165 -0.1703603 0.4467247 -0.0112396 0.0736297 -0.0031676 0.2831237 14 H 0.4557755 0.1418585 0.0609165 0.1703603 0.4467247 0.0112396 0.0736297 0.0031676 0.2831237 15 Br -0.9644692 0.0000000 -0.0085203 0.0000000 -0.9344444 0.0000000 -0.0304093 0.0000000 -1.0734049 16 Br -0.9644692 0.0000000 -0.0085203 0.0000000 -0.9344444 0.0000000 -0.0304093 0.0000000 -1.0734049 17 O -1.4143400 -0.0159156 0.0164053 0.0169908 -1.3347383 -0.0636326 -0.0021441 -0.0593719 -1.3603609 18 O -1.4143400 0.0159156 0.0164053 -0.0169908 -1.3347383 0.0636326 -0.0021441 0.0593719 -1.3603609 19 O -1.4220948 0.0000000 -0.0143816 0.0000000 -1.4113010 0.0000000 0.0680328 0.0000000 -1.2080721 20 O -1.4220948 0.0000000 -0.0143816 0.0000000 -1.4113010 0.0000000 0.0680328 0.0000000 -1.2080721 21 O -1.4143400 0.0159156 0.0164053 -0.0169908 -1.3347383 0.0636326 -0.0021441 0.0593719 -1.3603609 22 O -1.4143400 -0.0159156 0.0164053 0.0169908 -1.3347383 -0.0636326 -0.0021441 -0.0593719 -1.3603609 ---------------------------------------------------------------------------- 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: 264/264 Permutation basis: 8976/8976 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2360 Number of blocks in projector: 2360 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: 584 Use submatrix version of eigh solver. (1) Block: 584 / 584 (2) Block: 250 / 584 (2) 235 eigenvectors found. (2) Block: 500 / 584 (2) 237 eigenvectors found. (2) Block: 584 / 584 (2) 75 eigenvectors found. (2) Complementary block size: 37 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 569 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 336 Use standard eigh solver. Tree of FC basis block matrices: - (2360, 2309), data: False |-- (336, 328), data: True |-- (336, 328), data: True |-- (336, 328), data: True |-- (384, 378), data: True |-- (384, 378), data: True |-- (584, 569), data: False |-- (584, 569), data: False |-- (584, 22), data: (584, 37) @ (37, 22) |-- (84, 75), data: True |-- (250, 237), data: True |-- (250, 235), data: True ----- Solver_atoms: 1 -- 88 / 88 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 0.537 Solver_block: 200 / 720 - Time: 0.438 Solver_block: 300 / 720 - Time: 0.443 Solver_block: 400 / 720 - Time: 0.446 Solver_block: 500 / 720 - Time: 0.442 Solver_block: 600 / 720 - Time: 0.442 Solver_block: 700 / 720 - Time: 0.443 Solver_block: 720 / 720 - Time: 0.155 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.446 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 264/264 Permutation basis: 8976/8976 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2360 Number of blocks in projector: 2360 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: 584 Use submatrix version of eigh solver. (1) Block: 584 / 584 (2) Block: 250 / 584 (2) 235 eigenvectors found. (2) Block: 500 / 584 (2) 237 eigenvectors found. (2) Block: 584 / 584 (2) 75 eigenvectors found. (2) Complementary block size: 37 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 569 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 336 Use standard eigh solver. Tree of FC basis block matrices: - (2360, 2309), data: False |-- (336, 328), data: True |-- (336, 328), data: True |-- (336, 328), data: True |-- (384, 378), data: True |-- (384, 378), data: True |-- (584, 569), data: False |-- (584, 569), data: False |-- (584, 22), data: (584, 37) @ (37, 22) |-- (84, 75), data: True |-- (250, 237), data: True |-- (250, 235), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:11:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:11:02]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.352640630083399 0.000000000000000 0.000000000000000 b 0.000000000000000 7.459959459999999 0.000000000000000 c -0.246535668792480 0.000000000000000 6.390066106333519 Atomic positions (fractional): 1 Li 0.92948306493793 0.25000000000000 0.08016404141011 6.941 2 Li 0.65191557951118 0.52094343491647 0.86315806547885 6.941 3 Li 0.65191557951118 0.97905656508353 0.86315806547885 6.941 4 Li 0.59791153599969 0.25000000000000 0.31664142813896 6.941 5 Li 0.40208846400032 0.75000000000000 0.68335857186104 6.941 6 Li 0.34808442048881 0.02094343491648 0.13684193452114 6.941 7 Li 0.34808442048881 0.47905656508353 0.13684193452114 6.941 8 Li 0.07051693506207 0.75000000000000 0.91983595858989 6.941 9 H 0.80953520791639 0.53495428604944 0.22909871132254 1.008 10 H 0.80953520791639 0.96504571395056 0.22909871132254 1.008 11 H 0.84386736219196 0.75000000000000 0.62601600101576 1.008 12 H 0.15613263780804 0.25000000000000 0.37398399898424 1.008 13 H 0.19046479208361 0.03495428604944 0.77090128867746 1.008 14 H 0.19046479208361 0.46504571395056 0.77090128867746 1.008 15 Br 0.85339721875993 0.25000000000000 0.66506636716472 79.904 16 Br 0.14660278124007 0.75000000000000 0.33493363283528 79.904 17 O 0.70979918890862 0.05291557617672 0.14863953567622 15.999 18 O 0.70979918890862 0.44708442382328 0.14863953567622 15.999 19 O 0.75589579250881 0.75000000000000 0.75782637720568 15.999 20 O 0.24410420749119 0.25000000000000 0.24217362279432 15.999 21 O 0.29020081109138 0.55291557617672 0.85136046432378 15.999 22 O 0.29020081109138 0.94708442382328 0.85136046432378 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.705281260166798 0.000000000000000 0.000000000000000 b 0.000000000000000 7.459959459999999 0.000000000000000 c -0.493071337584960 0.000000000000000 12.780132212667038 Atomic positions (fractional): 1 Li 0.46474153246897 0.25000000000000 0.04008202070505 6.941 > 1 2 Li 0.96474153246897 0.25000000000000 0.04008202070505 6.941 > 1 3 Li 0.46474153246897 0.25000000000000 0.54008202070505 6.941 > 1 4 Li 0.96474153246897 0.25000000000000 0.54008202070505 6.941 > 1 5 Li 0.32595778975559 0.52094343491647 0.43157903273943 6.941 > 5 6 Li 0.82595778975559 0.52094343491647 0.43157903273943 6.941 > 5 7 Li 0.32595778975559 0.52094343491647 0.93157903273943 6.941 > 5 8 Li 0.82595778975559 0.52094343491647 0.93157903273943 6.941 > 5 9 Li 0.32595778975559 0.97905656508353 0.43157903273943 6.941 > 9 10 Li 0.82595778975559 0.97905656508353 0.43157903273943 6.941 > 9 11 Li 0.32595778975559 0.97905656508353 0.93157903273943 6.941 > 9 12 Li 0.82595778975559 0.97905656508353 0.93157903273943 6.941 > 9 13 Li 0.29895576799984 0.25000000000000 0.15832071406948 6.941 > 13 14 Li 0.79895576799984 0.25000000000000 0.15832071406948 6.941 > 13 15 Li 0.29895576799984 0.25000000000000 0.65832071406948 6.941 > 13 16 Li 0.79895576799984 0.25000000000000 0.65832071406948 6.941 > 13 17 Li 0.20104423200016 0.75000000000000 0.34167928593052 6.941 > 17 18 Li 0.70104423200016 0.75000000000000 0.34167928593052 6.941 > 17 19 Li 0.20104423200016 0.75000000000000 0.84167928593052 6.941 > 17 20 Li 0.70104423200016 0.75000000000000 0.84167928593052 6.941 > 17 21 Li 0.17404221024441 0.02094343491648 0.06842096726057 6.941 > 21 22 Li 0.67404221024441 0.02094343491648 0.06842096726057 6.941 > 21 23 Li 0.17404221024441 0.02094343491648 0.56842096726057 6.941 > 21 24 Li 0.67404221024441 0.02094343491648 0.56842096726057 6.941 > 21 25 Li 0.17404221024441 0.47905656508353 0.06842096726057 6.941 > 25 26 Li 0.67404221024441 0.47905656508353 0.06842096726057 6.941 > 25 27 Li 0.17404221024441 0.47905656508353 0.56842096726057 6.941 > 25 28 Li 0.67404221024441 0.47905656508353 0.56842096726057 6.941 > 25 29 Li 0.03525846753103 0.75000000000000 0.45991797929495 6.941 > 29 30 Li 0.53525846753103 0.75000000000000 0.45991797929495 6.941 > 29 31 Li 0.03525846753103 0.75000000000000 0.95991797929495 6.941 > 29 32 Li 0.53525846753103 0.75000000000000 0.95991797929495 6.941 > 29 33 H 0.40476760395819 0.53495428604944 0.11454935566127 1.008 > 33 34 H 0.90476760395819 0.53495428604944 0.11454935566127 1.008 > 33 35 H 0.40476760395819 0.53495428604944 0.61454935566127 1.008 > 33 36 H 0.90476760395819 0.53495428604944 0.61454935566127 1.008 > 33 37 H 0.40476760395819 0.96504571395056 0.11454935566127 1.008 > 37 38 H 0.90476760395819 0.96504571395056 0.11454935566127 1.008 > 37 39 H 0.40476760395819 0.96504571395056 0.61454935566127 1.008 > 37 40 H 0.90476760395819 0.96504571395056 0.61454935566127 1.008 > 37 41 H 0.42193368109598 0.75000000000000 0.31300800050788 1.008 > 41 42 H 0.92193368109598 0.75000000000000 0.31300800050788 1.008 > 41 43 H 0.42193368109598 0.75000000000000 0.81300800050788 1.008 > 41 44 H 0.92193368109598 0.75000000000000 0.81300800050788 1.008 > 41 45 H 0.07806631890402 0.25000000000000 0.18699199949212 1.008 > 45 46 H 0.57806631890402 0.25000000000000 0.18699199949212 1.008 > 45 47 H 0.07806631890402 0.25000000000000 0.68699199949212 1.008 > 45 48 H 0.57806631890402 0.25000000000000 0.68699199949212 1.008 > 45 49 H 0.09523239604181 0.03495428604944 0.38545064433873 1.008 > 49 50 H 0.59523239604181 0.03495428604944 0.38545064433873 1.008 > 49 51 H 0.09523239604181 0.03495428604944 0.88545064433873 1.008 > 49 52 H 0.59523239604181 0.03495428604944 0.88545064433873 1.008 > 49 53 H 0.09523239604181 0.46504571395056 0.38545064433873 1.008 > 53 54 H 0.59523239604181 0.46504571395056 0.38545064433873 1.008 > 53 55 H 0.09523239604181 0.46504571395056 0.88545064433873 1.008 > 53 56 H 0.59523239604181 0.46504571395056 0.88545064433873 1.008 > 53 57 Br 0.42669860937997 0.25000000000000 0.33253318358236 79.904 > 57 58 Br 0.92669860937997 0.25000000000000 0.33253318358236 79.904 > 57 59 Br 0.42669860937997 0.25000000000000 0.83253318358236 79.904 > 57 60 Br 0.92669860937997 0.25000000000000 0.83253318358236 79.904 > 57 61 Br 0.07330139062003 0.75000000000000 0.16746681641764 79.904 > 61 62 Br 0.57330139062003 0.75000000000000 0.16746681641764 79.904 > 61 63 Br 0.07330139062003 0.75000000000000 0.66746681641764 79.904 > 61 64 Br 0.57330139062003 0.75000000000000 0.66746681641764 79.904 > 61 65 O 0.35489959445431 0.05291557617672 0.07431976783811 15.999 > 65 66 O 0.85489959445431 0.05291557617672 0.07431976783811 15.999 > 65 67 O 0.35489959445431 0.05291557617672 0.57431976783811 15.999 > 65 68 O 0.85489959445431 0.05291557617672 0.57431976783811 15.999 > 65 69 O 0.35489959445431 0.44708442382328 0.07431976783811 15.999 > 69 70 O 0.85489959445431 0.44708442382328 0.07431976783811 15.999 > 69 71 O 0.35489959445431 0.44708442382328 0.57431976783811 15.999 > 69 72 O 0.85489959445431 0.44708442382328 0.57431976783811 15.999 > 69 73 O 0.37794789625441 0.75000000000000 0.37891318860284 15.999 > 73 74 O 0.87794789625440 0.75000000000000 0.37891318860284 15.999 > 73 75 O 0.37794789625441 0.75000000000000 0.87891318860284 15.999 > 73 76 O 0.87794789625440 0.75000000000000 0.87891318860284 15.999 > 73 77 O 0.12205210374559 0.25000000000000 0.12108681139716 15.999 > 77 78 O 0.62205210374560 0.25000000000000 0.12108681139716 15.999 > 77 79 O 0.12205210374559 0.25000000000000 0.62108681139716 15.999 > 77 80 O 0.62205210374560 0.25000000000000 0.62108681139716 15.999 > 77 81 O 0.14510040554569 0.55291557617672 0.42568023216189 15.999 > 81 82 O 0.64510040554569 0.55291557617672 0.42568023216189 15.999 > 81 83 O 0.14510040554569 0.55291557617672 0.92568023216189 15.999 > 81 84 O 0.64510040554569 0.55291557617672 0.92568023216189 15.999 > 81 85 O 0.14510040554569 0.94708442382328 0.42568023216189 15.999 > 85 86 O 0.64510040554569 0.94708442382328 0.42568023216189 15.999 > 85 87 O 0.14510040554569 0.94708442382328 0.92568023216189 15.999 > 85 88 O 0.64510040554569 0.94708442382328 0.92568023216189 15.999 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5154070 0.0000000 -0.0248816 0.0000000 2.5147707 0.0000000 -0.0248811 0.0000000 2.5439189 -------------------------- Born effective charges -------------------------- 1 Li 0.8269494 0.0000000 0.0146853 0.0000000 0.9263993 0.0000000 0.0313447 0.0000000 1.1513962 2 Li 1.0161070 -0.1162167 -0.0556786 -0.0803597 0.9948863 0.0485698 -0.0653087 -0.0053747 0.9132174 3 Li 1.0161070 0.1162167 -0.0556786 0.0803597 0.9948863 -0.0485698 -0.0653087 0.0053747 0.9132174 4 Li 1.0181892 0.0000000 0.1142970 0.0000000 0.8669423 0.0000000 0.1093068 0.0000000 1.0044117 5 Li 1.0181892 0.0000000 0.1142970 0.0000000 0.8669423 0.0000000 0.1093068 0.0000000 1.0044117 6 Li 1.0161070 0.1162167 -0.0556786 0.0803597 0.9948863 -0.0485698 -0.0653087 0.0053747 0.9132174 7 Li 1.0161070 -0.1162167 -0.0556786 -0.0803597 0.9948863 0.0485698 -0.0653087 -0.0053747 0.9132174 8 Li 0.8269494 0.0000000 0.0146853 0.0000000 0.9263993 0.0000000 0.0313447 0.0000000 1.1513962 9 H 0.4557755 0.1418585 0.0609165 0.1703603 0.4467247 0.0112396 0.0736297 0.0031676 0.2831237 10 H 0.4557755 -0.1418585 0.0609165 -0.1703603 0.4467247 -0.0112396 0.0736297 -0.0031676 0.2831237 11 H 0.4263405 0.0000000 -0.1493668 0.0000000 0.3386583 0.0000000 -0.1906288 0.0000000 0.4537086 12 H 0.4263405 0.0000000 -0.1493668 0.0000000 0.3386583 0.0000000 -0.1906288 0.0000000 0.4537086 13 H 0.4557755 -0.1418585 0.0609165 -0.1703603 0.4467247 -0.0112396 0.0736297 -0.0031676 0.2831237 14 H 0.4557755 0.1418585 0.0609165 0.1703603 0.4467247 0.0112396 0.0736297 0.0031676 0.2831237 15 Br -0.9644692 0.0000000 -0.0085203 0.0000000 -0.9344444 0.0000000 -0.0304093 0.0000000 -1.0734049 16 Br -0.9644692 0.0000000 -0.0085203 0.0000000 -0.9344444 0.0000000 -0.0304093 0.0000000 -1.0734049 17 O -1.4143400 -0.0159156 0.0164053 0.0169908 -1.3347383 -0.0636326 -0.0021441 -0.0593719 -1.3603609 18 O -1.4143400 0.0159156 0.0164053 -0.0169908 -1.3347383 0.0636326 -0.0021441 0.0593719 -1.3603609 19 O -1.4220948 0.0000000 -0.0143816 0.0000000 -1.4113010 0.0000000 0.0680328 0.0000000 -1.2080721 20 O -1.4220948 0.0000000 -0.0143816 0.0000000 -1.4113010 0.0000000 0.0680328 0.0000000 -1.2080721 21 O -1.4143400 0.0159156 0.0164053 -0.0169908 -1.3347383 0.0636326 -0.0021441 0.0593719 -1.3603609 22 O -1.4143400 -0.0159156 0.0164053 0.0169908 -1.3347383 -0.0636326 -0.0021441 -0.0593719 -1.3603609 ---------------------------------------------------------------------------- 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] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 5, 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] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 13, 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] [-0.0004 0.0000 0.0100] [ 0.0004 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] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 41, 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] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 57, 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] [-0.0004 0.0000 0.0100] [ 0.0004 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] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 73, 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] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000042 (zzz) 0.00000042 (zzz) 0.00000042 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000005 (xy) 0.00000005 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:11:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:11:23]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.352640630083399 0.000000000000000 0.000000000000000 b 0.000000000000000 7.459959459999999 0.000000000000000 c -0.246535668792480 0.000000000000000 6.390066106333519 Atomic positions (fractional): 1 Li 0.92948306493793 0.25000000000000 0.08016404141011 6.941 2 Li 0.65191557951118 0.52094343491647 0.86315806547885 6.941 3 Li 0.65191557951118 0.97905656508353 0.86315806547885 6.941 4 Li 0.59791153599969 0.25000000000000 0.31664142813896 6.941 5 Li 0.40208846400032 0.75000000000000 0.68335857186104 6.941 6 Li 0.34808442048881 0.02094343491648 0.13684193452114 6.941 7 Li 0.34808442048881 0.47905656508353 0.13684193452114 6.941 8 Li 0.07051693506207 0.75000000000000 0.91983595858989 6.941 9 H 0.80953520791639 0.53495428604944 0.22909871132254 1.008 10 H 0.80953520791639 0.96504571395056 0.22909871132254 1.008 11 H 0.84386736219196 0.75000000000000 0.62601600101576 1.008 12 H 0.15613263780804 0.25000000000000 0.37398399898424 1.008 13 H 0.19046479208361 0.03495428604944 0.77090128867746 1.008 14 H 0.19046479208361 0.46504571395056 0.77090128867746 1.008 15 Br 0.85339721875993 0.25000000000000 0.66506636716472 79.904 16 Br 0.14660278124007 0.75000000000000 0.33493363283528 79.904 17 O 0.70979918890862 0.05291557617672 0.14863953567622 15.999 18 O 0.70979918890862 0.44708442382328 0.14863953567622 15.999 19 O 0.75589579250881 0.75000000000000 0.75782637720568 15.999 20 O 0.24410420749119 0.25000000000000 0.24217362279432 15.999 21 O 0.29020081109138 0.55291557617672 0.85136046432378 15.999 22 O 0.29020081109138 0.94708442382328 0.85136046432378 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.705281260166798 0.000000000000000 0.000000000000000 b 0.000000000000000 7.459959459999999 0.000000000000000 c -0.493071337584960 0.000000000000000 12.780132212667038 Atomic positions (fractional): 1 Li 0.46474153246897 0.25000000000000 0.04008202070505 6.941 > 1 2 Li 0.96474153246897 0.25000000000000 0.04008202070505 6.941 > 1 3 Li 0.46474153246897 0.25000000000000 0.54008202070505 6.941 > 1 4 Li 0.96474153246897 0.25000000000000 0.54008202070505 6.941 > 1 5 Li 0.32595778975559 0.52094343491647 0.43157903273943 6.941 > 5 6 Li 0.82595778975559 0.52094343491647 0.43157903273943 6.941 > 5 7 Li 0.32595778975559 0.52094343491647 0.93157903273943 6.941 > 5 8 Li 0.82595778975559 0.52094343491647 0.93157903273943 6.941 > 5 9 Li 0.32595778975559 0.97905656508353 0.43157903273943 6.941 > 9 10 Li 0.82595778975559 0.97905656508353 0.43157903273943 6.941 > 9 11 Li 0.32595778975559 0.97905656508353 0.93157903273943 6.941 > 9 12 Li 0.82595778975559 0.97905656508353 0.93157903273943 6.941 > 9 13 Li 0.29895576799984 0.25000000000000 0.15832071406948 6.941 > 13 14 Li 0.79895576799984 0.25000000000000 0.15832071406948 6.941 > 13 15 Li 0.29895576799984 0.25000000000000 0.65832071406948 6.941 > 13 16 Li 0.79895576799984 0.25000000000000 0.65832071406948 6.941 > 13 17 Li 0.20104423200016 0.75000000000000 0.34167928593052 6.941 > 17 18 Li 0.70104423200016 0.75000000000000 0.34167928593052 6.941 > 17 19 Li 0.20104423200016 0.75000000000000 0.84167928593052 6.941 > 17 20 Li 0.70104423200016 0.75000000000000 0.84167928593052 6.941 > 17 21 Li 0.17404221024441 0.02094343491648 0.06842096726057 6.941 > 21 22 Li 0.67404221024441 0.02094343491648 0.06842096726057 6.941 > 21 23 Li 0.17404221024441 0.02094343491648 0.56842096726057 6.941 > 21 24 Li 0.67404221024441 0.02094343491648 0.56842096726057 6.941 > 21 25 Li 0.17404221024441 0.47905656508353 0.06842096726057 6.941 > 25 26 Li 0.67404221024441 0.47905656508353 0.06842096726057 6.941 > 25 27 Li 0.17404221024441 0.47905656508353 0.56842096726057 6.941 > 25 28 Li 0.67404221024441 0.47905656508353 0.56842096726057 6.941 > 25 29 Li 0.03525846753103 0.75000000000000 0.45991797929495 6.941 > 29 30 Li 0.53525846753103 0.75000000000000 0.45991797929495 6.941 > 29 31 Li 0.03525846753103 0.75000000000000 0.95991797929495 6.941 > 29 32 Li 0.53525846753103 0.75000000000000 0.95991797929495 6.941 > 29 33 H 0.40476760395819 0.53495428604944 0.11454935566127 1.008 > 33 34 H 0.90476760395819 0.53495428604944 0.11454935566127 1.008 > 33 35 H 0.40476760395819 0.53495428604944 0.61454935566127 1.008 > 33 36 H 0.90476760395819 0.53495428604944 0.61454935566127 1.008 > 33 37 H 0.40476760395819 0.96504571395056 0.11454935566127 1.008 > 37 38 H 0.90476760395819 0.96504571395056 0.11454935566127 1.008 > 37 39 H 0.40476760395819 0.96504571395056 0.61454935566127 1.008 > 37 40 H 0.90476760395819 0.96504571395056 0.61454935566127 1.008 > 37 41 H 0.42193368109598 0.75000000000000 0.31300800050788 1.008 > 41 42 H 0.92193368109598 0.75000000000000 0.31300800050788 1.008 > 41 43 H 0.42193368109598 0.75000000000000 0.81300800050788 1.008 > 41 44 H 0.92193368109598 0.75000000000000 0.81300800050788 1.008 > 41 45 H 0.07806631890402 0.25000000000000 0.18699199949212 1.008 > 45 46 H 0.57806631890402 0.25000000000000 0.18699199949212 1.008 > 45 47 H 0.07806631890402 0.25000000000000 0.68699199949212 1.008 > 45 48 H 0.57806631890402 0.25000000000000 0.68699199949212 1.008 > 45 49 H 0.09523239604181 0.03495428604944 0.38545064433873 1.008 > 49 50 H 0.59523239604181 0.03495428604944 0.38545064433873 1.008 > 49 51 H 0.09523239604181 0.03495428604944 0.88545064433873 1.008 > 49 52 H 0.59523239604181 0.03495428604944 0.88545064433873 1.008 > 49 53 H 0.09523239604181 0.46504571395056 0.38545064433873 1.008 > 53 54 H 0.59523239604181 0.46504571395056 0.38545064433873 1.008 > 53 55 H 0.09523239604181 0.46504571395056 0.88545064433873 1.008 > 53 56 H 0.59523239604181 0.46504571395056 0.88545064433873 1.008 > 53 57 Br 0.42669860937997 0.25000000000000 0.33253318358236 79.904 > 57 58 Br 0.92669860937997 0.25000000000000 0.33253318358236 79.904 > 57 59 Br 0.42669860937997 0.25000000000000 0.83253318358236 79.904 > 57 60 Br 0.92669860937997 0.25000000000000 0.83253318358236 79.904 > 57 61 Br 0.07330139062003 0.75000000000000 0.16746681641764 79.904 > 61 62 Br 0.57330139062003 0.75000000000000 0.16746681641764 79.904 > 61 63 Br 0.07330139062003 0.75000000000000 0.66746681641764 79.904 > 61 64 Br 0.57330139062003 0.75000000000000 0.66746681641764 79.904 > 61 65 O 0.35489959445431 0.05291557617672 0.07431976783811 15.999 > 65 66 O 0.85489959445431 0.05291557617672 0.07431976783811 15.999 > 65 67 O 0.35489959445431 0.05291557617672 0.57431976783811 15.999 > 65 68 O 0.85489959445431 0.05291557617672 0.57431976783811 15.999 > 65 69 O 0.35489959445431 0.44708442382328 0.07431976783811 15.999 > 69 70 O 0.85489959445431 0.44708442382328 0.07431976783811 15.999 > 69 71 O 0.35489959445431 0.44708442382328 0.57431976783811 15.999 > 69 72 O 0.85489959445431 0.44708442382328 0.57431976783811 15.999 > 69 73 O 0.37794789625441 0.75000000000000 0.37891318860284 15.999 > 73 74 O 0.87794789625440 0.75000000000000 0.37891318860284 15.999 > 73 75 O 0.37794789625441 0.75000000000000 0.87891318860284 15.999 > 73 76 O 0.87794789625440 0.75000000000000 0.87891318860284 15.999 > 73 77 O 0.12205210374559 0.25000000000000 0.12108681139716 15.999 > 77 78 O 0.62205210374560 0.25000000000000 0.12108681139716 15.999 > 77 79 O 0.12205210374559 0.25000000000000 0.62108681139716 15.999 > 77 80 O 0.62205210374560 0.25000000000000 0.62108681139716 15.999 > 77 81 O 0.14510040554569 0.55291557617672 0.42568023216189 15.999 > 81 82 O 0.64510040554569 0.55291557617672 0.42568023216189 15.999 > 81 83 O 0.14510040554569 0.55291557617672 0.92568023216189 15.999 > 81 84 O 0.64510040554569 0.55291557617672 0.92568023216189 15.999 > 81 85 O 0.14510040554569 0.94708442382328 0.42568023216189 15.999 > 85 86 O 0.64510040554569 0.94708442382328 0.42568023216189 15.999 > 85 87 O 0.14510040554569 0.94708442382328 0.92568023216189 15.999 > 85 88 O 0.64510040554569 0.94708442382328 0.92568023216189 15.999 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.5154070 0.0000000 -0.0248816 0.0000000 2.5147707 0.0000000 -0.0248811 0.0000000 2.5439189 -------------------------- Born effective charges -------------------------- 1 Li 0.8269494 0.0000000 0.0146853 0.0000000 0.9263993 0.0000000 0.0313447 0.0000000 1.1513962 2 Li 1.0161070 -0.1162167 -0.0556786 -0.0803597 0.9948863 0.0485698 -0.0653087 -0.0053747 0.9132174 3 Li 1.0161070 0.1162167 -0.0556786 0.0803597 0.9948863 -0.0485698 -0.0653087 0.0053747 0.9132174 4 Li 1.0181892 0.0000000 0.1142970 0.0000000 0.8669423 0.0000000 0.1093068 0.0000000 1.0044117 5 Li 1.0181892 0.0000000 0.1142970 0.0000000 0.8669423 0.0000000 0.1093068 0.0000000 1.0044117 6 Li 1.0161070 0.1162167 -0.0556786 0.0803597 0.9948863 -0.0485698 -0.0653087 0.0053747 0.9132174 7 Li 1.0161070 -0.1162167 -0.0556786 -0.0803597 0.9948863 0.0485698 -0.0653087 -0.0053747 0.9132174 8 Li 0.8269494 0.0000000 0.0146853 0.0000000 0.9263993 0.0000000 0.0313447 0.0000000 1.1513962 9 H 0.4557755 0.1418585 0.0609165 0.1703603 0.4467247 0.0112396 0.0736297 0.0031676 0.2831237 10 H 0.4557755 -0.1418585 0.0609165 -0.1703603 0.4467247 -0.0112396 0.0736297 -0.0031676 0.2831237 11 H 0.4263405 0.0000000 -0.1493668 0.0000000 0.3386583 0.0000000 -0.1906288 0.0000000 0.4537086 12 H 0.4263405 0.0000000 -0.1493668 0.0000000 0.3386583 0.0000000 -0.1906288 0.0000000 0.4537086 13 H 0.4557755 -0.1418585 0.0609165 -0.1703603 0.4467247 -0.0112396 0.0736297 -0.0031676 0.2831237 14 H 0.4557755 0.1418585 0.0609165 0.1703603 0.4467247 0.0112396 0.0736297 0.0031676 0.2831237 15 Br -0.9644692 0.0000000 -0.0085203 0.0000000 -0.9344444 0.0000000 -0.0304093 0.0000000 -1.0734049 16 Br -0.9644692 0.0000000 -0.0085203 0.0000000 -0.9344444 0.0000000 -0.0304093 0.0000000 -1.0734049 17 O -1.4143400 -0.0159156 0.0164053 0.0169908 -1.3347383 -0.0636326 -0.0021441 -0.0593719 -1.3603609 18 O -1.4143400 0.0159156 0.0164053 -0.0169908 -1.3347383 0.0636326 -0.0021441 0.0593719 -1.3603609 19 O -1.4220948 0.0000000 -0.0143816 0.0000000 -1.4113010 0.0000000 0.0680328 0.0000000 -1.2080721 20 O -1.4220948 0.0000000 -0.0143816 0.0000000 -1.4113010 0.0000000 0.0680328 0.0000000 -1.2080721 21 O -1.4143400 0.0159156 0.0164053 -0.0169908 -1.3347383 0.0636326 -0.0021441 0.0593719 -1.3603609 22 O -1.4143400 -0.0159156 0.0164053 0.0169908 -1.3347383 -0.0636326 -0.0021441 -0.0593719 -1.3603609 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000042 (zzz) 0.00000042 (zzz) 0.00000042 (zzz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 7 8 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.65, Number of G-points: 313, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/148) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 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 2.091 ( 0.000 0.000 0.000) 0.000 2.179 ( 0.000 0.000 0.000) 0.000 2.387 ( 0.000 0.000 0.000) 0.000 2.973 ( 0.000 0.000 0.000) 0.000 3.087 ( 0.000 0.000 0.000) 0.000 3.813 ( 0.000 0.000 0.000) 0.000 4.350 ( 0.000 0.000 0.000) 0.000 4.474 ( 0.000 0.000 0.000) 0.000 4.665 ( 0.000 0.000 0.000) 0.000 5.365 ( 0.000 0.000 0.000) 0.000 5.979 ( 0.000 0.000 0.000) 0.000 6.107 ( 0.000 0.000 0.000) 0.000 6.536 ( 0.000 0.000 0.000) 0.000 7.686 ( 0.000 0.000 0.000) 0.000 8.154 ( 0.000 0.000 0.000) 0.000 8.549 ( 0.000 0.000 0.000) 0.000 9.019 ( 0.000 0.000 0.000) 0.000 9.120 ( 0.000 0.000 0.000) 0.000 9.294 ( 0.000 0.000 0.000) 0.000 9.368 ( 0.000 0.000 0.000) 0.000 9.803 ( 0.000 0.000 0.000) 0.000 10.437 ( 0.000 0.000 0.000) 0.000 10.515 ( 0.000 0.000 0.000) 0.000 10.821 ( 0.000 0.000 0.000) 0.000 11.286 ( 0.000 0.000 0.000) 0.000 11.403 ( 0.000 0.000 0.000) 0.000 11.602 ( 0.000 0.000 0.000) 0.000 12.022 ( 0.000 0.000 0.000) 0.000 12.178 ( 0.000 0.000 0.000) 0.000 12.468 ( 0.000 0.000 0.000) 0.000 12.698 ( 0.000 0.000 0.000) 0.000 13.265 ( 0.000 0.000 0.000) 0.000 13.298 ( 0.000 0.000 0.000) 0.000 13.791 ( 0.000 0.000 0.000) 0.000 14.232 ( 0.000 0.000 0.000) 0.000 14.381 ( 0.000 0.000 0.000) 0.000 14.508 ( 0.000 0.000 0.000) 0.000 14.525 ( 0.000 0.000 0.000) 0.000 15.286 ( 0.000 0.000 0.000) 0.000 15.866 ( 0.000 0.000 0.000) 0.000 15.886 ( 0.000 0.000 0.000) 0.000 16.425 ( 0.000 0.000 0.000) 0.000 16.574 ( 0.000 0.000 0.000) 0.000 17.389 ( 0.000 0.000 0.000) 0.000 17.769 ( 0.000 0.000 0.000) 0.000 18.378 ( 0.000 0.000 0.000) 0.000 19.088 ( 0.000 0.000 0.000) 0.000 20.469 ( 0.000 0.000 0.000) 0.000 20.798 ( 0.000 0.000 0.000) 0.000 20.916 ( 0.000 0.000 0.000) 0.000 21.163 ( 0.000 0.000 0.000) 0.000 21.210 ( 0.000 0.000 0.000) 0.000 21.680 ( 0.000 0.000 0.000) 0.000 22.184 ( 0.000 0.000 0.000) 0.000 22.508 ( 0.000 0.000 0.000) 0.000 24.227 ( 0.000 0.000 0.000) 0.000 24.504 ( 0.000 0.000 0.000) 0.000 107.986 ( 0.000 0.000 0.000) 0.000 108.074 ( 0.000 0.000 0.000) 0.000 108.868 ( 0.000 0.000 0.000) 0.000 108.981 ( 0.000 0.000 0.000) 0.000 109.104 ( 0.000 0.000 0.000) 0.000 109.188 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/148) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.504 ( 24.814 0.000 -14.562) 28.771 0.542 ( 26.010 0.000 2.626) 26.142 1.041 ( 45.811 0.000 5.456) 46.134 2.078 ( -1.280 0.000 0.559) 1.397 2.198 ( 1.694 0.000 1.166) 2.057 2.423 ( 3.200 0.000 -3.440) 4.698 2.969 ( -0.371 0.000 -1.355) 1.404 3.401 ( 5.913 0.000 -5.265) 7.917 3.839 ( 2.685 0.000 0.109) 2.687 4.200 ( -13.040 0.000 0.310) 13.043 4.506 ( 2.400 0.000 2.103) 3.191 4.656 ( -1.041 0.000 0.382) 1.109 5.321 ( -3.987 0.000 0.011) 3.987 5.927 ( -5.779 0.000 -0.421) 5.794 6.082 ( -2.185 0.000 0.005) 2.185 6.478 ( -5.355 0.000 1.313) 5.514 7.654 ( -3.156 0.000 0.307) 3.171 8.136 ( -1.309 0.000 -0.548) 1.419 8.544 ( 0.217 0.000 0.639) 0.675 8.919 ( -7.886 0.000 3.247) 8.528 9.101 ( -3.436 0.000 -2.825) 4.448 9.323 ( 1.747 0.000 0.122) 1.752 9.362 ( -2.675 0.000 3.804) 4.650 9.891 ( 6.794 0.000 -0.881) 6.851 10.451 ( 3.665 0.000 0.008) 3.665 10.632 ( 8.699 0.000 -0.473) 8.711 10.685 ( -10.297 0.000 -0.590) 10.314 11.318 ( 0.146 0.000 2.068) 2.073 11.402 ( -0.062 0.000 1.322) 1.324 11.617 ( 0.662 0.000 0.612) 0.902 11.798 ( -14.873 0.000 -4.971) 15.682 12.316 ( 10.133 0.000 -1.403) 10.230 12.482 ( 1.335 0.000 -0.744) 1.528 12.817 ( 6.919 0.000 -3.501) 7.754 13.218 ( -4.572 0.000 -0.160) 4.575 13.694 ( -10.925 0.000 -32.319) 34.116 13.718 ( -6.167 0.000 -0.041) 6.167 14.302 ( -2.112 0.000 0.192) 2.120 14.432 ( 10.330 0.000 -4.203) 11.153 14.576 ( 5.716 0.000 -0.642) 5.752 15.300 ( 1.418 0.000 1.583) 2.125 15.800 ( -5.307 0.000 -0.576) 5.338 15.817 ( 7.334 0.000 4.275) 8.489 16.302 ( -5.357 0.000 0.407) 5.373 16.830 ( 16.983 0.000 -0.199) 16.984 17.444 ( 0.038 0.000 67.708) 67.708 17.481 ( 8.143 0.000 -1.047) 8.210 17.954 ( 3.366 0.000 -39.488) 39.631 18.407 ( 2.685 0.000 1.679) 3.167 19.065 ( -2.439 0.000 1.774) 3.016 20.518 ( 4.456 0.000 0.783) 4.525 20.819 ( 2.097 0.000 -0.628) 2.189 20.913 ( 0.118 0.000 -3.696) 3.698 21.193 ( -1.612 0.000 0.556) 1.705 21.533 ( -1.209 0.000 -36.053) 36.073 21.727 ( 2.836 0.000 6.486) 7.078 22.149 ( -3.324 0.000 0.460) 3.355 22.786 ( -9.417 0.000 26.516) 28.138 24.427 ( -1.809 0.000 -6.018) 6.284 24.504 ( -0.737 0.000 2.512) 2.618 107.987 ( 0.070 0.000 0.014) 0.071 108.105 ( -0.254 0.000 -7.226) 7.231 108.870 ( 0.123 0.000 0.253) 0.282 108.976 ( -0.495 0.000 -0.011) 0.495 109.111 ( 0.626 0.000 -0.237) 0.669 109.436 ( -0.685 0.000 5.661) 5.702 ======================= Grid point 2 (3/148) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 23.981 0.000 -13.255) 27.401 1.079 ( 25.319 0.000 2.626) 25.455 1.813 ( 26.052 0.000 5.274) 26.581 2.043 ( -1.619 0.000 1.475) 2.190 2.240 ( 1.758 0.000 1.778) 2.501 2.483 ( 1.964 0.000 -4.516) 4.924 2.952 ( -1.217 0.000 -2.122) 2.446 3.620 ( 15.333 0.000 -4.139) 15.882 3.887 ( -15.235 0.000 0.383) 15.240 3.937 ( 7.169 0.000 1.231) 7.274 4.573 ( 4.155 0.000 0.015) 4.155 4.624 ( -1.884 0.000 0.836) 2.062 5.209 ( -6.752 0.000 0.157) 6.754 5.723 ( -13.190 0.000 -1.003) 13.228 6.032 ( -2.354 0.000 -0.075) 2.355 6.347 ( -6.375 0.000 1.566) 6.565 7.562 ( -5.215 0.000 0.140) 5.217 8.119 ( -0.045 0.000 -0.838) 0.839 8.575 ( 2.546 0.000 1.032) 2.748 8.711 ( -13.549 0.000 2.837) 13.843 8.999 ( -4.734 0.000 0.437) 4.754 9.295 ( -3.673 0.000 1.645) 4.024 9.332 ( -1.047 0.000 -0.177) 1.062 9.992 ( 1.335 0.000 0.188) 1.348 10.561 ( 0.922 0.000 -1.968) 2.173 10.596 ( 9.301 0.000 0.058) 9.301 10.826 ( 9.333 0.000 -0.354) 9.340 11.143 ( -19.004 0.000 0.110) 19.004 11.412 ( 1.175 0.000 1.923) 2.254 11.478 ( -5.916 0.000 -0.392) 5.929 11.750 ( 5.098 0.000 -3.836) 6.380 12.496 ( 5.545 0.000 -10.333) 11.726 12.520 ( 2.375 0.000 -1.051) 2.597 12.966 ( 8.720 0.000 -2.120) 8.974 13.078 ( -8.647 0.000 -0.235) 8.650 13.448 ( -10.643 0.000 -5.455) 11.959 13.576 ( -6.719 0.000 0.058) 6.719 14.221 ( -4.486 0.000 2.592) 5.181 14.672 ( 11.139 0.000 -1.168) 11.200 14.705 ( 5.993 0.000 -1.088) 6.091 15.354 ( 3.878 0.000 0.866) 3.974 15.693 ( -4.089 0.000 -0.868) 4.180 15.991 ( 8.293 0.000 1.293) 8.393 16.222 ( -2.803 0.000 0.102) 2.805 17.196 ( 17.566 0.000 -0.226) 17.568 17.511 ( 2.504 0.000 25.010) 25.135 17.684 ( 9.508 0.000 5.164) 10.820 18.028 ( 6.622 0.000 -19.173) 20.284 18.490 ( 4.932 0.000 2.353) 5.465 18.983 ( -5.658 0.000 3.521) 6.664 20.627 ( 4.615 0.000 1.812) 4.958 20.888 ( 4.663 0.000 -1.576) 4.922 20.941 ( 4.138 0.000 -7.663) 8.709 21.149 ( -2.437 0.000 1.646) 2.940 21.493 ( -0.266 0.000 -20.179) 20.181 21.774 ( 0.722 0.000 8.405) 8.436 22.047 ( -6.572 0.000 1.015) 6.650 22.543 ( -14.802 0.000 10.825) 18.338 24.391 ( -1.113 0.000 -3.776) 3.936 24.469 ( -2.709 0.000 2.261) 3.528 107.989 ( 0.150 0.000 0.024) 0.152 108.090 ( -0.753 0.000 -2.688) 2.791 108.874 ( 0.232 0.000 0.417) 0.477 108.962 ( -0.818 0.000 -0.048) 0.820 109.128 ( 1.016 0.000 -0.344) 1.073 109.423 ( -0.832 0.000 1.878) 2.054 ======================= Grid point 3 (4/148) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 20.281 0.000 -10.625) 22.896 1.576 ( 21.535 0.000 2.424) 21.671 1.993 ( -0.394 0.000 1.354) 1.410 2.173 ( 7.794 0.000 4.376) 8.939 2.251 ( -1.191 0.000 1.378) 1.822 2.468 ( -3.385 0.000 -3.165) 4.634 2.919 ( -1.559 0.000 -1.859) 2.426 3.629 ( -8.810 0.000 0.401) 8.819 3.901 ( 9.277 0.000 -3.393) 9.878 4.144 ( 9.682 0.000 2.744) 10.063 4.584 ( -2.069 0.000 0.600) 2.155 4.734 ( 13.477 0.000 -0.771) 13.499 5.045 ( -8.665 0.000 0.223) 8.668 5.438 ( -12.316 0.000 -1.015) 12.358 5.974 ( -3.536 0.000 -0.155) 3.540 6.265 ( -0.938 0.000 0.761) 1.208 7.470 ( -2.655 0.000 -0.302) 2.672 8.127 ( 0.604 0.000 -0.829) 1.025 8.339 ( -21.318 0.000 2.479) 21.461 8.637 ( 2.929 0.000 0.998) 3.094 8.950 ( -0.202 0.000 2.367) 2.376 9.229 ( -2.446 0.000 0.607) 2.520 9.293 ( -2.175 0.000 -0.373) 2.206 9.967 ( -2.423 0.000 0.651) 2.509 10.619 ( -10.479 0.000 -4.994) 11.608 10.771 ( -0.272 0.000 0.498) 0.567 10.792 ( 8.775 0.000 -0.045) 8.775 10.986 ( 5.230 0.000 0.065) 5.230 11.406 ( -2.563 0.000 1.077) 2.780 11.470 ( 4.510 0.000 1.687) 4.815 11.815 ( -0.212 0.000 -4.403) 4.408 12.554 ( 3.806 0.000 -12.660) 13.220 12.573 ( 2.576 0.000 -0.859) 2.716 12.878 ( -9.828 0.000 -0.294) 9.832 13.119 ( -1.624 0.000 3.943) 4.264 13.306 ( 3.067 0.000 0.005) 3.067 13.456 ( -4.637 0.000 0.108) 4.638 14.126 ( -5.096 0.000 3.182) 6.008 14.802 ( 3.246 0.000 -0.901) 3.369 14.860 ( 6.695 0.000 -0.076) 6.696 15.459 ( 5.649 0.000 -0.340) 5.659 15.642 ( -0.945 0.000 -0.957) 1.345 16.141 ( 5.793 0.000 0.540) 5.818 16.177 ( -1.681 0.000 -0.061) 1.682 17.533 ( 14.274 0.000 -0.598) 14.287 17.577 ( 2.248 0.000 10.490) 10.728 17.833 ( 4.528 0.000 2.281) 5.070 18.194 ( 9.042 0.000 -7.615) 11.822 18.601 ( 5.140 0.000 1.316) 5.306 18.845 ( -7.513 0.000 4.644) 8.833 20.671 ( -0.124 0.000 0.682) 0.693 21.010 ( 7.043 0.000 -2.724) 7.551 21.077 ( 3.161 0.000 -10.750) 11.205 21.129 ( 6.359 0.000 5.316) 8.288 21.494 ( 1.694 0.000 -10.968) 11.098 21.765 ( -2.112 0.000 7.214) 7.517 21.879 ( -9.619 0.000 1.693) 9.767 22.222 ( -15.766 0.000 4.679) 16.446 24.376 ( -0.211 0.000 -1.137) 1.156 24.407 ( -3.044 0.000 0.471) 3.080 107.993 ( 0.214 0.000 0.025) 0.216 108.072 ( -0.792 0.000 -1.070) 1.332 108.880 ( 0.311 0.000 0.428) 0.529 108.944 ( -0.843 0.000 -0.105) 0.849 109.149 ( 0.977 0.000 -0.284) 1.017 109.406 ( -0.762 0.000 0.589) 0.964 ======================= Grid point 4 (5/148) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 6.836 0.000 -3.848) 7.845 1.930 ( 10.794 0.000 1.413) 10.886 2.057 ( 8.003 0.000 -2.560) 8.402 2.199 ( -3.067 0.000 0.153) 3.070 2.232 ( -2.953 0.000 5.938) 6.632 2.358 ( -4.784 0.000 -2.570) 5.431 2.893 ( -0.770 0.000 -0.709) 1.047 3.523 ( -2.047 0.000 0.179) 2.055 4.020 ( 2.906 0.000 -1.361) 3.209 4.240 ( 0.913 0.000 1.440) 1.705 4.542 ( -1.543 0.000 0.042) 1.544 4.892 ( -4.584 0.000 0.147) 4.587 5.050 ( 11.319 0.000 -0.288) 11.323 5.262 ( -4.240 0.000 -0.360) 4.255 5.905 ( -2.168 0.000 -0.078) 2.169 6.280 ( 0.991 0.000 0.068) 0.993 7.487 ( 4.054 0.000 -0.683) 4.111 7.922 ( -15.661 0.000 1.668) 15.749 8.136 ( 0.266 0.000 -0.353) 0.442 8.683 ( 1.236 0.000 0.423) 1.306 8.967 ( 0.896 0.000 1.267) 1.552 9.199 ( -0.502 0.000 0.125) 0.518 9.257 ( -1.021 0.000 -0.194) 1.039 9.917 ( -1.997 0.000 0.190) 2.006 10.326 ( -8.488 0.000 -1.745) 8.666 10.940 ( 5.131 0.000 -0.007) 5.131 10.941 ( 7.221 0.000 -0.325) 7.228 11.028 ( -0.822 0.000 0.052) 0.824 11.358 ( -1.917 0.000 0.916) 2.124 11.574 ( 3.851 0.000 0.742) 3.921 11.747 ( -3.645 0.000 -2.717) 4.546 12.612 ( 0.895 0.000 -0.325) 0.952 12.694 ( 9.756 0.000 -9.038) 13.299 12.714 ( -4.664 0.000 -0.205) 4.669 12.939 ( -11.062 0.000 6.980) 13.080 13.389 ( -1.714 0.000 0.059) 1.715 13.474 ( 6.698 0.000 -0.411) 6.711 14.024 ( -3.864 0.000 1.667) 4.209 14.841 ( 0.811 0.000 -0.317) 0.871 14.950 ( 2.125 0.000 0.009) 2.125 15.554 ( 2.756 0.000 -0.329) 2.775 15.637 ( 0.176 0.000 -0.450) 0.483 16.153 ( -0.588 0.000 -0.045) 0.590 16.225 ( 2.101 0.000 0.159) 2.107 17.615 ( 0.850 0.000 2.996) 3.114 17.756 ( 6.300 0.000 -0.508) 6.321 17.893 ( 1.381 0.000 0.329) 1.419 18.332 ( 3.750 0.000 -1.737) 4.133 18.682 ( 2.121 0.000 -3.809) 4.359 18.715 ( -4.111 0.000 6.528) 7.714 20.657 ( -0.611 0.000 -0.090) 0.617 21.061 ( -0.767 0.000 -0.798) 1.107 21.143 ( 4.519 0.000 -2.165) 5.011 21.377 ( 13.063 0.000 -2.724) 13.344 21.546 ( 3.347 0.000 -3.402) 4.773 21.655 ( -11.829 0.000 2.337) 12.057 21.712 ( -2.839 0.000 3.869) 4.799 21.949 ( -8.738 0.000 1.025) 8.797 24.357 ( -1.370 0.000 1.605) 2.110 24.377 ( 0.100 0.000 -1.781) 1.784 107.997 ( 0.131 0.000 0.012) 0.131 108.059 ( -0.363 0.000 -0.284) 0.461 108.886 ( 0.208 0.000 0.213) 0.297 108.930 ( -0.422 0.000 -0.086) 0.430 109.165 ( 0.418 0.000 -0.107) 0.431 109.395 ( -0.325 0.000 0.115) 0.345 ======================= Grid point 9 (6/148) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.225 ( 0.000 15.679 0.000) 15.679 0.507 ( 0.000 26.490 0.000) 26.490 0.851 ( 0.000 43.114 0.000) 43.114 2.084 ( 0.000 -1.308 0.000) 1.308 2.250 ( 0.000 6.656 0.000) 6.656 2.280 ( 0.000 -10.337 0.000) 10.337 3.035 ( 0.000 -5.004 0.000) 5.004 3.062 ( 0.000 -2.512 0.000) 2.512 3.717 ( 0.000 -8.635 0.000) 8.635 4.092 ( 0.000 -16.534 0.000) 16.534 4.701 ( 0.000 13.012 0.000) 13.012 4.856 ( 0.000 2.574 0.000) 2.574 5.496 ( 0.000 11.663 0.000) 11.663 5.994 ( 0.000 1.579 0.000) 1.579 6.143 ( 0.000 3.567 0.000) 3.567 6.526 ( 0.000 -1.075 0.000) 1.075 7.720 ( 0.000 3.250 0.000) 3.250 8.059 ( 0.000 -8.795 0.000) 8.795 8.409 ( 0.000 -12.454 0.000) 12.454 9.017 ( 0.000 -1.417 0.000) 1.417 9.054 ( 0.000 -6.654 0.000) 6.654 9.210 ( 0.000 -8.324 0.000) 8.324 9.476 ( 0.000 10.120 0.000) 10.120 9.936 ( 0.000 11.562 0.000) 11.562 10.421 ( 0.000 -0.149 0.000) 0.149 10.549 ( 0.000 -1.852 0.000) 1.852 10.922 ( 0.000 8.946 0.000) 8.946 11.241 ( 0.000 -5.001 0.000) 5.001 11.394 ( 0.000 -1.418 0.000) 1.418 11.639 ( 0.000 3.021 0.000) 3.021 11.990 ( 0.000 -2.308 0.000) 2.308 12.198 ( 0.000 2.051 0.000) 2.051 12.528 ( 0.000 2.580 0.000) 2.580 12.694 ( 0.000 -0.443 0.000) 0.443 13.247 ( 0.000 -4.901 0.000) 4.901 13.365 ( 0.000 -2.942 0.000) 2.942 13.806 ( 0.000 1.542 0.000) 1.542 14.205 ( 0.000 -2.847 0.000) 2.847 14.373 ( 0.000 -0.652 0.000) 0.652 14.494 ( 0.000 -2.872 0.000) 2.872 15.266 ( 0.000 -1.758 0.000) 1.758 15.697 ( 0.000 -10.128 0.000) 10.128 16.011 ( 0.000 2.663 0.000) 2.663 16.019 ( 0.000 6.744 0.000) 6.744 16.683 ( 0.000 10.177 0.000) 10.177 16.925 ( 0.000 5.298 0.000) 5.298 17.394 ( 0.000 0.407 0.000) 0.407 17.743 ( 0.000 -2.759 0.000) 2.759 18.434 ( 0.000 5.939 0.000) 5.939 19.861 ( 0.000 -1.259 0.000) 1.259 20.467 ( 0.000 -17.710 0.000) 17.710 20.991 ( 0.000 -11.100 0.000) 11.100 21.222 ( 0.000 17.093 0.000) 17.093 21.329 ( 0.000 5.781 0.000) 5.781 21.637 ( 0.000 -0.743 0.000) 0.743 21.735 ( 0.000 5.163 0.000) 5.163 22.151 ( 0.000 -3.301 0.000) 3.301 22.498 ( 0.000 -1.325 0.000) 1.325 24.232 ( 0.000 0.615 0.000) 0.615 24.487 ( 0.000 -1.792 0.000) 1.792 107.990 ( 0.000 0.418 0.000) 0.418 108.069 ( 0.000 -0.480 0.000) 0.480 108.986 ( 0.000 0.539 0.000) 0.539 109.088 ( 0.000 -0.959 0.000) 0.959 109.121 ( 0.000 0.768 0.000) 0.768 109.186 ( 0.000 -0.304 0.000) 0.304 ======================= Grid point 10 (7/148) ======================= q-point: ( 0.11 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( 22.836 7.191 -13.053) 27.269 0.728 ( 17.980 16.102 -0.951) 24.155 1.322 ( 33.944 25.668 5.441) 42.902 2.060 ( -2.176 -2.186 0.700) 3.163 2.235 ( -0.211 0.117 2.077) 2.091 2.345 ( 4.661 -4.292 -4.059) 7.525 2.992 ( -1.815 -0.807 -1.671) 2.596 3.251 ( 12.164 -8.882 -3.976) 15.577 3.692 ( -1.733 -11.311 -0.322) 11.448 4.152 ( 4.441 -8.925 3.596) 10.598 4.580 ( -9.059 9.461 -2.113) 13.268 4.763 ( -4.858 6.523 0.927) 8.185 5.429 ( -5.719 9.897 -0.147) 11.432 5.930 ( -6.990 0.450 -0.332) 7.013 6.106 ( -3.117 2.503 0.299) 4.009 6.471 ( -5.067 -0.859 0.991) 5.234 7.671 ( -4.335 1.710 -0.062) 4.661 8.060 ( 0.399 -6.907 -0.468) 6.934 8.432 ( 2.770 -8.869 1.374) 9.392 8.953 ( -6.007 0.526 1.997) 6.353 9.006 ( -4.585 -8.811 -1.735) 10.083 9.261 ( 4.328 -5.101 0.341) 6.699 9.469 ( -1.675 10.084 1.442) 10.324 10.012 ( 4.990 11.027 -0.281) 12.107 10.472 ( 5.244 1.688 0.181) 5.512 10.559 ( 0.964 -4.285 -1.056) 4.517 10.762 ( -8.755 4.927 0.069) 10.046 11.229 ( -2.080 -5.556 0.920) 6.004 11.457 ( 1.727 0.783 1.082) 2.183 11.618 ( -3.436 -1.565 0.820) 3.864 11.809 ( -7.221 3.627 -6.885) 10.616 12.268 ( 2.303 -1.940 0.310) 3.027 12.542 ( 5.725 3.841 -2.502) 7.334 12.797 ( 5.196 -2.070 -3.270) 6.479 13.230 ( -3.938 0.327 0.658) 4.006 13.511 ( 0.843 -12.415 -13.254) 18.180 13.766 ( -7.133 1.862 -3.586) 8.198 14.108 ( 0.175 -12.252 -4.070) 12.912 14.317 ( 4.085 0.219 -0.559) 4.129 14.744 ( 10.285 1.848 3.665) 11.074 15.278 ( 0.954 -1.495 -0.103) 1.776 15.743 ( 3.392 -5.506 0.443) 6.482 15.939 ( 0.699 8.518 -0.612) 8.568 16.154 ( 0.466 -6.892 7.700) 10.344 16.883 ( 15.879 5.993 -2.223) 17.118 17.218 ( 17.481 -6.778 23.583) 30.128 17.470 ( 6.660 -1.087 -2.076) 7.060 17.790 ( 5.109 -5.606 -9.840) 12.424 18.473 ( 3.371 6.434 3.804) 8.199 19.569 ( -21.353 18.044 4.715) 28.351 20.475 ( 0.617 -16.645 -1.069) 16.691 20.738 ( -8.275 10.714 3.469) 13.975 21.117 ( -3.818 -1.659 -4.438) 6.085 21.229 ( -0.434 14.531 -6.597) 15.964 21.574 ( -1.382 3.451 -23.713) 24.002 21.760 ( 1.615 3.419 5.357) 6.557 22.127 ( -2.970 -2.351 1.073) 3.937 22.658 ( -1.106 -9.361 18.716) 20.956 24.346 ( 3.996 -4.678 -2.047) 6.485 24.477 ( -0.767 -1.944 0.124) 2.094 107.990 ( 0.051 0.399 0.064) 0.407 108.084 ( 0.532 -1.375 -3.483) 3.782 108.950 ( -3.946 5.208 -0.809) 6.584 108.982 ( -0.520 0.699 -0.037) 0.872 109.109 ( 0.588 -0.081 -0.220) 0.633 109.344 ( 3.878 -6.185 3.649) 8.162 ======================= Grid point 11 (8/148) ======================= q-point: ( 0.22 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( 23.545 4.171 -13.633) 27.525 1.148 ( 21.342 6.855 1.952) 22.501 1.939 ( 19.207 11.297 4.560) 22.745 2.011 ( -0.486 -3.038 1.532) 3.437 2.245 ( 0.717 -1.227 1.562) 2.112 2.430 ( 3.003 -3.531 -4.353) 6.360 2.974 ( 0.645 1.959 -1.642) 2.637 3.504 ( 8.535 -8.847 -4.325) 13.032 3.707 ( 7.562 -8.410 2.145) 11.511 4.196 ( -2.258 13.190 1.568) 13.474 4.462 ( 0.640 -7.486 -0.120) 7.514 4.697 ( -1.209 4.626 0.090) 4.782 5.277 ( -8.591 6.253 -0.207) 10.628 5.693 ( -14.966 -2.499 -1.068) 15.211 6.032 ( -3.776 0.047 0.199) 3.782 6.338 ( -6.876 -1.313 1.121) 7.089 7.569 ( -4.750 1.149 -0.208) 4.891 8.084 ( 1.985 -3.070 -0.735) 3.729 8.522 ( 4.520 -3.585 1.787) 6.040 8.730 ( -13.898 -2.199 0.762) 14.091 8.955 ( -1.341 -2.405 1.310) 3.049 9.302 ( -1.168 -0.995 0.951) 1.805 9.413 ( -3.496 9.291 0.213) 9.929 10.063 ( -0.839 7.362 0.406) 7.421 10.489 ( -2.239 -5.784 -2.044) 6.530 10.644 ( 10.152 3.420 0.311) 10.717 10.789 ( 6.558 -3.242 0.068) 7.316 11.098 ( -13.480 -3.605 0.780) 13.975 11.331 ( -5.453 -5.298 -2.055) 7.876 11.567 ( -0.393 3.362 1.309) 3.630 11.830 ( 4.613 8.317 -4.328) 10.449 12.293 ( 1.112 -10.087 -3.583) 10.762 12.672 ( 4.181 5.548 -8.219) 10.761 12.907 ( 6.531 -5.622 -1.875) 8.819 13.109 ( -6.926 2.757 0.626) 7.481 13.399 ( -7.875 -4.113 -1.482) 9.008 13.597 ( -6.813 1.648 -0.561) 7.031 14.053 ( -4.840 -13.190 -1.044) 14.089 14.533 ( 12.256 -2.887 0.608) 12.606 14.930 ( 8.190 6.436 0.092) 10.416 15.302 ( 1.380 -1.728 -0.313) 2.233 15.780 ( 1.137 4.457 -0.525) 4.629 16.040 ( 7.330 5.147 0.015) 8.957 16.132 ( -1.659 -5.000 2.947) 6.036 17.230 ( 16.715 3.401 -1.081) 17.091 17.495 ( 7.726 -1.064 20.794) 22.208 17.619 ( 7.582 -4.876 -0.534) 9.030 17.931 ( 8.418 -7.693 -11.109) 15.921 18.570 ( 5.547 7.767 4.499) 10.552 19.207 ( -13.662 16.556 3.702) 21.782 20.497 ( 1.708 -14.120 -0.777) 14.244 20.770 ( 7.520 1.219 -1.429) 7.751 21.048 ( -3.127 -6.242 -0.616) 7.009 21.221 ( 0.408 12.093 -9.848) 15.601 21.541 ( -0.185 4.995 -12.859) 13.797 21.783 ( -0.317 1.023 7.659) 7.733 22.036 ( -5.849 -1.075 1.462) 6.124 22.513 ( -11.714 -3.049 9.364) 15.304 24.369 ( -0.170 -1.893 -2.363) 3.032 24.449 ( -2.224 -1.866 1.138) 3.118 107.992 ( 0.119 0.350 0.052) 0.373 108.080 ( -0.481 -0.900 -2.013) 2.257 108.909 ( -0.785 3.179 0.155) 3.279 108.969 ( -0.772 0.703 -0.034) 1.045 109.126 ( 0.989 -0.157 -0.333) 1.056 109.380 ( 0.285 -3.940 1.533) 4.237 ======================= Grid point 12 (9/148) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 19.717 2.816 -11.075) 22.790 1.584 ( 19.737 1.053 2.831) 19.966 1.960 ( -0.454 -3.442 1.217) 3.679 2.198 ( 3.809 1.947 1.902) 4.681 2.246 ( -1.021 -1.328 1.198) 2.060 2.431 ( -3.101 -2.463 -2.527) 4.697 3.014 ( 2.638 9.354 -0.410) 9.728 3.531 ( -1.212 -6.299 -0.561) 6.439 4.003 ( 12.785 0.220 1.038) 12.829 4.146 ( -0.348 7.037 -0.615) 7.073 4.509 ( 0.510 -6.321 1.571) 6.533 4.783 ( 10.962 2.846 -0.901) 11.362 5.088 ( -8.935 4.114 -0.031) 9.836 5.374 ( -13.528 -5.643 -1.089) 14.698 5.941 ( -5.253 -3.119 -0.070) 6.109 6.243 ( -1.431 -2.529 0.550) 2.958 7.500 ( -1.201 3.511 -0.324) 3.725 8.134 ( 2.433 0.854 -0.803) 2.701 8.336 ( -19.695 -1.057 1.723) 19.798 8.640 ( 2.470 -0.282 1.063) 2.703 8.947 ( 0.669 -0.049 2.027) 2.135 9.253 ( -2.443 0.318 0.890) 2.619 9.330 ( -4.007 6.049 -0.358) 7.265 10.002 ( -3.849 3.998 0.769) 5.602 10.509 ( -2.320 -10.256 -3.706) 11.149 10.686 ( -6.212 -3.510 -0.182) 7.138 10.887 ( 7.074 2.261 -0.477) 7.442 10.958 ( 2.735 -0.941 0.625) 2.959 11.347 ( 4.932 -2.521 -0.040) 5.538 11.554 ( -0.811 3.450 1.098) 3.710 11.866 ( -1.786 5.418 -4.380) 7.193 12.350 ( 5.382 -10.187 -3.882) 12.158 12.712 ( 2.076 3.985 -8.569) 9.676 12.888 ( -8.311 0.374 -0.988) 8.377 13.072 ( -0.980 -4.039 2.768) 4.994 13.273 ( -1.569 -1.528 2.986) 3.703 13.505 ( -1.175 3.131 -0.344) 3.362 13.942 ( -5.774 -13.842 0.949) 15.028 14.735 ( 6.637 -1.359 0.842) 6.827 15.086 ( 6.632 10.260 -0.722) 12.238 15.333 ( 1.499 -4.678 -0.342) 4.924 15.824 ( 3.003 10.871 -0.888) 11.313 16.099 ( -1.072 -4.708 0.555) 4.860 16.187 ( 5.676 4.983 0.518) 7.570 17.543 ( 12.319 0.712 -0.570) 12.352 17.607 ( 3.834 2.721 7.177) 8.579 17.770 ( 5.811 -5.333 4.128) 8.902 18.091 ( 7.193 -9.087 -5.910) 13.009 18.698 ( 5.884 8.724 2.595) 10.837 18.973 ( -9.704 11.389 3.720) 15.418 20.535 ( 1.734 -11.847 -0.654) 11.992 20.962 ( 8.265 0.549 -5.821) 10.124 20.993 ( -0.559 -11.750 4.187) 12.486 21.245 ( 3.159 7.686 -10.385) 13.301 21.551 ( 1.964 5.932 -6.261) 8.846 21.752 ( -3.320 -0.747 7.822) 8.530 21.895 ( -7.413 1.453 1.556) 7.713 22.246 ( -13.367 1.779 4.133) 14.104 24.363 ( -0.165 -1.251 -0.693) 1.440 24.393 ( -2.787 -1.287 0.050) 3.070 107.995 ( 0.174 0.273 0.040) 0.326 108.066 ( -0.674 -0.570 -0.886) 1.251 108.902 ( -0.049 2.154 0.325) 2.179 108.952 ( -0.797 0.798 -0.077) 1.130 109.147 ( 0.946 -0.217 -0.280) 1.011 109.378 ( -0.367 -2.841 0.489) 2.906 ======================= Grid point 13 (10/148) ======================= q-point: ( 0.44 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 6.414 1.704 -3.660) 7.579 1.937 ( 13.199 -0.356 2.974) 13.535 2.029 ( 7.838 -2.614 -3.153) 8.844 2.153 ( -6.148 -2.134 1.023) 6.588 2.239 ( -0.354 -3.531 -0.026) 3.549 2.302 ( -8.154 -0.829 0.319) 8.202 3.058 ( 1.228 14.105 0.100) 14.159 3.518 ( 0.035 0.586 -0.004) 0.587 4.125 ( 1.754 10.044 -1.315) 10.280 4.183 ( 1.456 -6.219 1.757) 6.624 4.494 ( -0.953 -4.461 0.455) 4.584 4.884 ( -4.014 -0.848 -0.350) 4.118 5.048 ( 2.916 -1.353 -0.294) 3.228 5.232 ( 1.468 -2.229 -0.242) 2.680 5.845 ( -2.848 -5.276 -0.091) 5.996 6.252 ( 0.869 -2.965 0.051) 3.090 7.540 ( 4.772 5.372 -0.591) 7.210 7.932 ( -15.211 1.068 1.474) 15.319 8.187 ( 1.320 4.288 -0.484) 4.513 8.660 ( -0.139 -2.701 0.359) 2.729 8.978 ( 1.429 1.191 1.111) 2.167 9.221 ( -0.689 -0.179 0.350) 0.793 9.266 ( -1.767 3.751 -0.264) 4.154 9.929 ( -2.651 1.521 0.209) 3.063 10.325 ( -6.458 -0.624 -1.588) 6.680 10.764 ( 6.227 -10.474 -0.279) 12.189 10.912 ( -2.641 -6.868 -0.264) 7.363 11.075 ( 5.228 2.941 0.575) 6.026 11.415 ( -0.366 4.532 0.077) 4.548 11.570 ( 2.435 -1.141 0.247) 2.701 11.797 ( -2.612 5.590 -1.979) 6.479 12.473 ( 4.609 -8.511 -1.445) 9.786 12.731 ( -4.499 2.692 -0.925) 5.323 12.777 ( 4.204 0.623 -6.156) 7.480 12.946 ( -7.704 1.688 5.707) 9.735 13.280 ( -0.224 -6.656 0.757) 6.702 13.569 ( 5.316 4.658 -0.861) 7.120 13.821 ( -5.244 -15.214 1.240) 16.140 14.817 ( 1.633 -0.209 0.340) 1.681 15.187 ( 2.673 16.287 -0.409) 16.510 15.358 ( 0.718 -10.067 -0.087) 10.093 15.880 ( 1.761 13.021 -0.489) 13.148 16.084 ( -0.377 -3.940 0.111) 3.960 16.270 ( 2.048 4.936 0.160) 5.347 17.637 ( 0.977 0.982 2.128) 2.539 17.765 ( 6.058 0.705 -1.740) 6.342 17.848 ( 1.391 -3.397 2.660) 4.533 18.198 ( 2.919 -11.280 -1.567) 11.757 18.790 ( 2.159 9.213 -1.924) 9.656 18.822 ( -4.075 9.769 4.502) 11.503 20.559 ( 0.533 -9.105 -0.309) 9.126 20.953 ( -0.784 -10.561 -0.475) 10.601 21.125 ( 3.991 -1.961 -0.559) 4.482 21.345 ( 5.984 -2.789 -6.311) 9.133 21.601 ( 1.659 4.943 -1.817) 5.522 21.667 ( -3.951 3.826 5.947) 8.100 21.768 ( -3.622 3.181 0.441) 4.840 22.013 ( -7.613 5.385 0.988) 9.378 24.347 ( -1.277 -0.968 1.575) 2.246 24.364 ( 0.044 -1.322 -1.766) 2.206 107.999 ( 0.108 0.200 0.018) 0.228 108.055 ( -0.322 -0.409 -0.242) 0.574 108.904 ( 0.102 1.734 0.178) 1.746 108.938 ( -0.398 0.874 -0.068) 0.963 109.162 ( 0.401 -0.269 -0.107) 0.495 109.371 ( -0.211 -2.392 0.091) 2.403 ======================= Grid point 18 (11/148) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( 0.000 22.576 0.000) 22.576 1.013 ( 0.000 26.191 0.000) 26.191 1.620 ( 0.000 35.536 0.000) 35.536 1.939 ( 0.000 -15.536 0.000) 15.536 2.096 ( 0.000 -6.922 0.000) 6.922 2.392 ( 0.000 6.919 0.000) 6.919 2.899 ( 0.000 -8.091 0.000) 8.091 2.996 ( 0.000 -4.347 0.000) 4.347 3.544 ( 0.000 -8.255 0.000) 8.255 3.768 ( 0.000 -16.842 0.000) 16.842 4.906 ( 0.000 7.846 0.000) 7.846 4.917 ( 0.000 3.584 0.000) 3.584 5.759 ( 0.000 14.219 0.000) 14.219 6.037 ( 0.000 2.648 0.000) 2.648 6.232 ( 0.000 5.321 0.000) 5.321 6.493 ( 0.000 -2.426 0.000) 2.426 7.777 ( 0.000 0.953 0.000) 0.953 7.873 ( 0.000 -9.346 0.000) 9.346 8.216 ( 0.000 -4.265 0.000) 4.265 8.877 ( 0.000 -12.260 0.000) 12.260 8.959 ( 0.000 -4.057 0.000) 4.057 9.013 ( 0.000 -10.009 0.000) 10.009 9.702 ( 0.000 12.292 0.000) 12.292 10.108 ( 0.000 3.035 0.000) 3.035 10.469 ( 0.000 5.448 0.000) 5.448 10.596 ( 0.000 8.929 0.000) 8.929 11.093 ( 0.000 -10.059 0.000) 10.059 11.114 ( 0.000 10.236 0.000) 10.236 11.328 ( 0.000 -5.773 0.000) 5.773 11.647 ( 0.000 -3.702 0.000) 3.702 12.001 ( 0.000 4.647 0.000) 4.647 12.243 ( 0.000 1.842 0.000) 1.842 12.582 ( 0.000 2.823 0.000) 2.823 12.683 ( 0.000 -0.662 0.000) 0.662 13.143 ( 0.000 -4.731 0.000) 4.731 13.285 ( 0.000 -5.217 0.000) 5.217 13.850 ( 0.000 3.116 0.000) 3.116 14.127 ( 0.000 -5.055 0.000) 5.055 14.363 ( 0.000 -0.284 0.000) 0.284 14.434 ( 0.000 -2.966 0.000) 2.966 15.237 ( 0.000 -0.736 0.000) 0.736 15.504 ( 0.000 -9.599 0.000) 9.599 16.076 ( 0.000 3.742 0.000) 3.742 16.126 ( 0.000 4.059 0.000) 4.059 16.906 ( 0.000 11.715 0.000) 11.715 17.050 ( 0.000 6.934 0.000) 6.934 17.405 ( 0.000 0.911 0.000) 0.911 17.666 ( 0.000 -5.196 0.000) 5.196 18.613 ( 0.000 12.965 0.000) 12.965 19.715 ( 0.000 -15.701 0.000) 15.701 20.267 ( 0.000 -1.227 0.000) 1.227 20.767 ( 0.000 -11.995 0.000) 11.995 21.415 ( 0.000 3.419 0.000) 3.419 21.466 ( 0.000 6.550 0.000) 6.550 21.656 ( 0.000 4.215 0.000) 4.215 21.884 ( 0.000 10.482 0.000) 10.482 22.063 ( 0.000 -5.793 0.000) 5.793 22.445 ( 0.000 -4.543 0.000) 4.543 24.254 ( 0.000 1.817 0.000) 1.817 24.438 ( 0.000 -3.182 0.000) 3.182 108.001 ( 0.000 0.768 0.000) 0.768 108.056 ( 0.000 -0.845 0.000) 0.845 109.001 ( 0.000 0.960 0.000) 0.960 109.068 ( 0.000 -1.131 0.000) 1.131 109.135 ( 0.000 0.780 0.000) 0.780 109.177 ( 0.000 -0.555 0.000) 0.555 ======================= Grid point 19 (12/148) ======================= q-point: ( 0.11 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( 16.157 16.464 -9.438) 24.924 1.091 ( 8.161 20.965 -1.945) 22.581 1.851 ( 15.335 18.342 2.445) 24.033 1.945 ( 2.021 -4.277 0.905) 4.817 2.092 ( 0.717 -8.797 -0.675) 8.852 2.402 ( 0.908 5.148 -0.786) 5.286 2.909 ( 2.691 -5.044 -1.867) 6.014 3.146 ( 12.156 -3.983 -2.668) 13.067 3.498 ( -2.343 -7.745 0.308) 8.097 3.893 ( 9.993 -16.301 5.846) 19.994 4.780 ( -10.088 9.235 -2.614) 13.924 4.864 ( -4.869 4.130 0.007) 6.385 5.646 ( -9.443 11.730 -0.499) 15.067 5.946 ( -9.422 1.082 -0.344) 9.490 6.170 ( -5.400 3.936 0.544) 6.704 6.438 ( -5.419 -2.853 0.502) 6.145 7.713 ( -4.736 2.472 -1.010) 5.437 7.917 ( 3.985 -7.052 -0.501) 8.116 8.294 ( 6.810 -4.051 1.803) 8.127 8.768 ( -8.033 -13.976 -1.057) 16.155 8.941 ( 0.654 -1.787 1.221) 2.261 9.149 ( 7.316 -6.438 0.455) 9.755 9.703 ( -0.721 13.202 -0.133) 13.223 10.194 ( 5.978 3.411 0.977) 6.952 10.514 ( 2.484 4.268 1.095) 5.058 10.563 ( -0.917 7.147 -2.349) 7.578 10.835 ( -12.787 1.415 0.247) 12.868 11.143 ( -2.471 -2.318 -0.096) 3.389 11.402 ( 0.598 -5.995 0.263) 6.030 11.496 ( -9.601 -10.362 -1.630) 14.220 11.971 ( 1.944 11.564 -5.484) 12.946 12.283 ( -2.887 2.894 1.756) 4.449 12.588 ( 6.658 0.577 -4.187) 7.886 12.737 ( 0.922 -4.207 -2.588) 5.024 13.209 ( 1.103 -2.201 1.096) 2.694 13.324 ( 3.813 -6.517 -0.727) 7.585 13.799 ( -6.872 1.686 -1.116) 7.163 13.955 ( -7.706 -5.279 -6.973) 11.656 14.338 ( 3.990 2.218 -0.317) 4.576 14.677 ( 11.910 -6.825 4.945) 14.590 15.270 ( 3.195 0.975 -0.964) 3.477 15.584 ( 6.610 -9.226 -0.281) 11.353 16.086 ( 2.257 6.193 0.904) 6.654 16.152 ( 1.101 3.777 4.122) 5.698 17.039 ( 11.658 9.252 -2.208) 15.046 17.214 ( 12.999 3.451 8.332) 15.821 17.445 ( 3.728 -1.240 -1.385) 4.166 17.686 ( 2.262 -5.975 -1.751) 6.625 18.658 ( 3.948 12.952 4.056) 14.135 19.639 ( -7.678 -8.946 5.319) 12.934 20.258 ( -0.593 -2.979 -0.784) 3.137 20.724 ( -3.221 -9.158 5.785) 11.301 21.204 ( -11.970 8.254 -11.434) 18.497 21.423 ( -3.001 4.062 -12.729) 13.694 21.670 ( 1.004 6.682 -0.441) 6.771 21.869 ( -1.459 7.970 0.583) 8.123 22.063 ( -1.127 -3.808 3.264) 5.141 22.494 ( 0.580 -8.105 9.137) 12.227 24.300 ( 2.958 -0.387 -0.273) 2.996 24.430 ( -0.730 -2.922 -0.406) 3.039 108.002 ( 0.018 0.761 0.052) 0.763 108.061 ( 0.268 -1.126 -1.164) 1.642 108.996 ( -0.437 1.059 0.027) 1.146 109.023 ( -3.008 1.989 -0.683) 3.670 109.113 ( 0.138 0.749 -0.253) 0.802 109.249 ( 3.257 -3.888 1.624) 5.325 ======================= Grid point 20 (13/148) ======================= q-point: ( 0.22 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 19.626 9.002 -12.152) 24.776 1.332 ( 14.070 12.054 0.531) 18.535 1.884 ( -2.245 -9.578 0.470) 9.849 2.088 ( 2.882 -7.568 -1.411) 8.220 2.231 ( 8.020 9.234 1.370) 12.307 2.422 ( 0.926 1.715 -0.903) 2.148 3.044 ( 10.245 6.516 -0.231) 12.143 3.368 ( 5.010 -4.811 -3.820) 7.928 3.571 ( 13.273 -5.417 3.484) 14.753 4.143 ( 12.533 -14.859 7.176) 20.721 4.546 ( -10.629 11.922 -3.475) 16.346 4.771 ( -2.759 2.799 -1.222) 4.116 5.412 ( -12.355 7.216 -0.484) 14.316 5.654 ( -17.598 -1.331 -1.080) 17.682 6.038 ( -6.887 0.826 0.583) 6.961 6.283 ( -8.357 -4.507 0.566) 9.512 7.631 ( -2.513 5.721 -1.126) 6.349 8.024 ( 5.990 -3.046 -1.093) 6.808 8.450 ( 5.347 -4.263 1.659) 7.037 8.593 ( -7.874 -9.838 0.329) 12.605 8.952 ( 0.234 1.736 1.512) 2.314 9.250 ( 1.523 -4.327 0.665) 4.635 9.647 ( -4.772 13.952 -0.040) 14.746 10.234 ( -3.049 5.543 1.492) 6.500 10.392 ( -8.078 0.193 -1.870) 8.294 10.708 ( 4.481 2.124 0.599) 4.995 10.728 ( 5.284 -1.672 -0.480) 5.563 11.041 ( -8.007 -1.817 0.334) 8.218 11.221 ( -3.810 -6.006 -3.335) 7.856 11.501 ( 1.864 -10.601 -0.635) 10.782 12.042 ( 2.741 12.430 -4.068) 13.363 12.194 ( -2.779 0.568 -1.147) 3.060 12.694 ( 0.511 -3.730 -8.838) 9.607 12.781 ( 5.403 -6.623 -1.363) 8.656 13.173 ( -4.119 3.795 2.262) 6.040 13.332 ( -2.947 -2.323 2.638) 4.587 13.624 ( -7.084 1.109 -1.220) 7.273 13.837 ( -5.014 -8.681 -4.968) 11.189 14.522 ( 11.530 1.241 1.694) 11.720 14.881 ( 8.072 -8.352 1.467) 11.707 15.356 ( 4.549 5.279 -0.940) 7.032 15.724 ( 6.053 -7.796 -0.162) 9.871 16.174 ( 1.912 7.297 3.482) 8.309 16.187 ( 6.176 8.690 -0.641) 10.680 17.314 ( 13.493 4.983 -2.169) 14.546 17.487 ( 11.057 0.225 11.548) 15.990 17.538 ( 4.600 -3.270 0.219) 5.649 17.773 ( 6.377 -8.494 -4.487) 11.531 18.769 ( 5.951 12.676 5.502) 15.045 19.426 ( -12.072 3.622 6.415) 14.142 20.263 ( 1.556 -7.144 -2.055) 7.595 20.702 ( 0.862 -10.255 5.531) 11.683 21.032 ( -4.001 5.968 -11.751) 13.774 21.349 ( -2.560 1.048 -15.813) 16.053 21.686 ( 0.529 8.449 3.081) 9.009 21.824 ( -3.013 3.518 3.093) 5.569 22.018 ( -3.285 0.042 2.523) 4.142 22.428 ( -6.860 -5.806 6.363) 11.011 24.337 ( 0.566 -1.160 -0.719) 1.477 24.406 ( -1.692 -2.470 -0.059) 2.994 108.002 ( 0.040 0.698 0.050) 0.701 108.060 ( -0.224 -1.128 -1.013) 1.533 108.973 ( -1.506 3.000 -0.019) 3.357 108.987 ( -0.733 1.137 -0.026) 1.353 109.126 ( 0.889 0.330 -0.305) 0.996 109.294 ( 1.169 -4.627 0.851) 4.848 ======================= Grid point 21 (14/148) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( 17.613 3.366 -10.813) 20.940 1.638 ( 14.482 5.316 2.942) 15.704 1.866 ( 1.257 -6.119 0.246) 6.251 2.132 ( 1.375 -8.012 -2.438) 8.487 2.268 ( -2.658 3.209 -0.203) 4.172 2.411 ( -2.793 -0.322 0.199) 2.819 3.247 ( 6.802 13.562 1.267) 15.225 3.456 ( 6.462 -0.732 -1.476) 6.668 3.888 ( 11.792 -7.615 5.345) 15.020 4.330 ( 1.802 -6.961 -1.368) 7.319 4.408 ( -0.407 10.121 2.283) 10.384 4.806 ( 6.820 -0.555 -2.079) 7.151 5.160 ( -11.140 1.945 -0.556) 11.322 5.283 ( -15.653 -2.576 -0.975) 15.894 5.886 ( -7.456 -1.477 0.124) 7.602 6.164 ( -2.137 -5.621 0.318) 6.022 7.614 ( 0.980 8.274 -0.640) 8.356 8.150 ( 5.719 -0.922 -1.446) 5.971 8.289 ( -14.993 -2.266 1.317) 15.220 8.597 ( 1.544 -4.573 1.115) 4.954 8.968 ( 1.574 2.640 1.464) 3.404 9.226 ( -2.706 -2.807 0.652) 3.953 9.523 ( -6.233 12.792 0.068) 14.230 10.125 ( -7.184 8.571 0.863) 11.217 10.283 ( -1.939 -12.497 -2.038) 12.810 10.621 ( -6.631 -4.221 -0.141) 7.862 10.840 ( -0.148 -2.425 -1.451) 2.830 11.003 ( 4.841 2.252 0.024) 5.339 11.314 ( 9.938 -1.219 -0.624) 10.032 11.521 ( 0.308 -7.019 -1.147) 7.118 12.006 ( -3.811 8.229 -2.575) 9.427 12.237 ( 5.043 -0.976 -1.587) 5.376 12.705 ( 1.878 -3.845 -6.531) 7.808 12.838 ( -0.080 -6.038 -2.730) 6.627 13.040 ( -7.840 1.913 2.172) 8.358 13.266 ( -3.860 -0.391 4.772) 6.150 13.532 ( -1.439 0.091 -2.095) 2.543 13.741 ( -3.644 -6.044 -1.387) 7.193 14.732 ( 7.524 0.846 1.599) 7.738 15.036 ( 6.804 -9.075 0.247) 11.345 15.439 ( 3.298 9.011 -0.475) 9.607 15.823 ( 3.402 -7.294 -0.236) 8.051 16.221 ( 2.832 13.775 0.290) 14.066 16.328 ( 6.101 9.047 0.183) 10.914 17.531 ( 6.047 -2.601 -2.867) 7.179 17.639 ( 6.242 -2.190 2.502) 7.073 17.696 ( 8.100 0.388 8.474) 11.729 17.903 ( 5.520 -9.063 -3.626) 11.214 18.896 ( 5.377 11.426 4.027) 13.254 19.193 ( -10.143 9.418 4.570) 14.576 20.315 ( 3.113 -9.176 -1.752) 9.847 20.718 ( -0.868 -15.609 3.339) 15.986 21.020 ( 3.536 4.625 -7.819) 9.748 21.300 ( -1.074 -1.374 -12.691) 12.810 21.705 ( 1.216 8.149 1.767) 8.427 21.756 ( -3.374 1.313 6.536) 7.472 21.937 ( -4.451 3.457 0.708) 5.680 22.258 ( -9.010 -1.152 3.051) 9.582 24.336 ( -0.262 -1.288 -0.187) 1.327 24.362 ( -2.231 -1.779 -0.409) 2.883 108.003 ( 0.064 0.568 0.045) 0.574 108.052 ( -0.451 -0.882 -0.522) 1.120 108.952 ( -0.600 2.714 0.175) 2.785 108.972 ( -0.700 1.192 -0.009) 1.382 109.145 ( 0.870 0.198 -0.271) 0.933 109.307 ( 0.243 -4.218 0.252) 4.233 ======================= Grid point 22 (15/148) ======================= q-point: ( 0.44 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 6.010 2.448 -4.390) 7.835 1.887 ( 8.569 -3.504 3.855) 10.028 1.967 ( 8.128 -3.586 -2.321) 9.182 2.133 ( -0.999 -5.045 -2.423) 5.685 2.172 ( -5.527 2.925 0.036) 6.254 2.317 ( -4.931 0.515 1.360) 5.141 3.322 ( 1.384 11.304 0.791) 11.416 3.606 ( 5.598 9.887 -0.896) 11.397 4.002 ( 0.666 -11.637 3.548) 12.184 4.355 ( 2.384 6.899 -6.175) 9.561 4.401 ( -1.858 0.627 5.676) 6.005 4.863 ( -3.133 -1.221 -1.200) 3.570 4.977 ( -5.330 -5.015 -0.492) 7.335 5.170 ( 3.580 -6.023 0.205) 7.010 5.776 ( -2.333 0.146 -0.175) 2.344 6.165 ( 0.799 -6.084 -0.007) 6.137 7.678 ( 5.317 8.529 -0.462) 10.061 7.961 ( -13.441 1.510 1.154) 13.575 8.260 ( 3.541 2.949 -0.686) 4.659 8.574 ( -2.319 -6.195 0.267) 6.621 9.011 ( 1.682 2.143 0.784) 2.835 9.181 ( -1.250 -3.051 0.207) 3.304 9.425 ( -2.626 11.921 0.012) 12.207 9.987 ( -4.358 4.502 0.042) 6.266 10.260 ( -0.735 -7.143 -1.036) 7.256 10.568 ( 0.735 -9.991 0.248) 10.021 10.798 ( -2.271 -2.756 -0.654) 3.630 11.078 ( 1.557 -2.946 -0.117) 3.334 11.493 ( 3.331 3.107 -0.355) 4.569 11.538 ( 3.002 -1.351 -0.198) 3.298 11.945 ( -1.502 8.938 -0.843) 9.103 12.335 ( 3.385 -5.767 -0.655) 6.719 12.726 ( -0.152 -3.784 -2.636) 4.615 12.798 ( -2.824 3.450 -0.849) 4.538 12.942 ( -0.202 -3.733 0.297) 3.750 13.172 ( -4.296 -5.157 2.761) 7.257 13.540 ( 1.136 -3.924 -1.925) 4.516 13.687 ( -1.462 0.096 0.717) 1.631 14.830 ( 2.101 1.504 0.660) 2.667 15.144 ( 2.968 -9.693 -0.023) 10.137 15.486 ( 1.203 11.253 -0.114) 11.318 15.867 ( 1.010 -7.265 -0.144) 7.336 16.274 ( 1.666 16.917 -0.239) 17.001 16.417 ( 2.206 9.931 0.126) 10.173 17.592 ( 1.182 -5.380 -0.626) 5.543 17.754 ( 3.213 -4.663 1.045) 5.758 17.823 ( 3.182 1.638 2.521) 4.378 17.983 ( 2.190 -8.704 -1.242) 9.061 18.980 ( 2.273 9.964 1.006) 10.269 19.038 ( -4.434 11.311 2.160) 12.340 20.369 ( 1.676 -9.167 -0.626) 9.340 20.685 ( -1.407 -15.843 0.542) 15.915 21.110 ( 3.605 0.637 -2.239) 4.291 21.280 ( -0.322 -3.797 -5.407) 6.615 21.691 ( -1.449 4.081 1.291) 4.519 21.763 ( 2.349 3.177 5.226) 6.552 21.850 ( -3.230 7.049 -2.158) 8.048 22.100 ( -5.105 2.689 0.811) 5.827 24.324 ( -1.032 -1.236 1.369) 2.114 24.333 ( -0.139 -1.651 -1.590) 2.297 108.005 ( 0.047 0.442 0.020) 0.445 108.044 ( -0.230 -0.686 -0.150) 0.739 108.946 ( -0.099 2.368 0.115) 2.372 108.960 ( -0.349 1.283 -0.027) 1.330 109.158 ( 0.363 0.116 -0.107) 0.396 109.309 ( 0.009 -3.833 0.030) 3.833 ======================= Grid point 27 (16/148) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 0.000 24.795 0.000) 24.795 1.497 ( 0.000 23.825 0.000) 23.825 1.524 ( 0.000 -23.153 0.000) 23.153 1.890 ( 0.000 -16.055 0.000) 16.055 2.232 ( 0.000 23.290 0.000) 23.290 2.461 ( 0.000 -1.556 0.000) 1.556 2.798 ( 0.000 -0.515 0.000) 0.515 2.888 ( 0.000 -7.112 0.000) 7.112 3.432 ( 0.000 -2.646 0.000) 2.646 3.493 ( 0.000 -9.912 0.000) 9.912 4.979 ( 0.000 2.477 0.000) 2.477 4.994 ( 0.000 1.488 0.000) 1.488 5.989 ( 0.000 8.652 0.000) 8.652 6.070 ( 0.000 -0.249 0.000) 0.249 6.334 ( 0.000 5.250 0.000) 5.250 6.429 ( 0.000 -4.340 0.000) 4.340 7.737 ( 0.000 -2.915 0.000) 2.915 7.739 ( 0.000 -3.814 0.000) 3.814 8.305 ( 0.000 11.775 0.000) 11.775 8.589 ( 0.000 -16.373 0.000) 16.373 8.889 ( 0.000 -2.471 0.000) 2.471 8.889 ( 0.000 -2.951 0.000) 2.951 9.914 ( 0.000 9.478 0.000) 9.478 10.062 ( 0.000 -5.879 0.000) 5.879 10.627 ( 0.000 10.633 0.000) 10.633 10.814 ( 0.000 1.773 0.000) 1.773 10.911 ( 0.000 1.092 0.000) 1.092 11.135 ( 0.000 -11.264 0.000) 11.264 11.333 ( 0.000 9.625 0.000) 9.625 11.516 ( 0.000 -8.836 0.000) 8.836 12.130 ( 0.000 7.247 0.000) 7.247 12.236 ( 0.000 -3.089 0.000) 3.089 12.631 ( 0.000 2.194 0.000) 2.194 12.665 ( 0.000 -1.352 0.000) 1.352 13.105 ( 0.000 1.245 0.000) 1.245 13.178 ( 0.000 -5.465 0.000) 5.465 13.924 ( 0.000 4.604 0.000) 4.604 14.023 ( 0.000 -5.526 0.000) 5.526 14.366 ( 0.000 0.590 0.000) 0.590 14.388 ( 0.000 -1.786 0.000) 1.786 15.254 ( 0.000 2.719 0.000) 2.719 15.345 ( 0.000 -6.731 0.000) 6.731 16.141 ( 0.000 2.714 0.000) 2.714 16.167 ( 0.000 0.223 0.000) 0.223 17.091 ( 0.000 6.813 0.000) 6.813 17.145 ( 0.000 1.575 0.000) 1.575 17.445 ( 0.000 3.888 0.000) 3.888 17.551 ( 0.000 -6.405 0.000) 6.405 18.927 ( 0.000 19.442 0.000) 19.442 19.332 ( 0.000 -21.942 0.000) 21.942 20.354 ( 0.000 8.168 0.000) 8.168 20.543 ( 0.000 -11.121 0.000) 11.121 21.467 ( 0.000 2.090 0.000) 2.090 21.497 ( 0.000 -0.933 0.000) 0.933 21.788 ( 0.000 7.894 0.000) 7.894 21.935 ( 0.000 -7.327 0.000) 7.327 22.110 ( 0.000 12.062 0.000) 12.062 22.316 ( 0.000 -8.932 0.000) 8.932 24.303 ( 0.000 3.169 0.000) 3.169 24.371 ( 0.000 -3.735 0.000) 3.735 108.019 ( 0.000 0.987 0.000) 0.987 108.038 ( 0.000 -1.021 0.000) 1.021 109.022 ( 0.000 1.195 0.000) 1.195 109.045 ( 0.000 -1.237 0.000) 1.237 109.150 ( 0.000 0.783 0.000) 0.783 109.165 ( 0.000 -0.717 0.000) 0.717 ======================= Grid point 28 (17/148) ======================= q-point: ( 0.11 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 8.969 20.990 -5.734) 23.535 1.500 ( 1.559 19.751 -1.298) 19.855 1.569 ( 3.737 -19.517 -3.202) 20.128 1.863 ( -1.670 -15.553 -1.082) 15.680 2.323 ( 5.896 15.148 0.867) 16.278 2.456 ( -0.463 -0.601 -0.232) 0.793 2.902 ( 11.028 5.357 -0.802) 12.287 3.047 ( 13.020 -6.962 -1.856) 14.880 3.429 ( 1.233 1.551 2.755) 3.394 3.585 ( 7.775 -14.013 6.118) 17.154 4.901 ( -7.285 3.384 -1.884) 8.251 4.919 ( -5.901 1.284 -1.016) 6.124 5.845 ( -12.131 8.325 -0.479) 14.720 5.946 ( -11.658 -2.089 -0.319) 11.847 6.256 ( -7.044 5.152 0.400) 8.736 6.359 ( -6.722 -5.152 0.278) 8.474 7.758 ( 1.571 2.192 -1.550) 3.110 7.811 ( 6.014 -3.898 -1.027) 7.240 8.309 ( 1.687 5.816 1.487) 6.236 8.499 ( -5.579 -13.078 0.128) 14.219 8.939 ( 4.935 2.199 0.677) 5.445 9.024 ( 7.706 -6.139 0.567) 9.869 9.943 ( 1.472 11.332 -0.365) 11.433 10.127 ( 4.445 -7.688 0.393) 8.890 10.630 ( 0.885 7.143 0.545) 7.218 10.759 ( -4.663 -2.841 0.379) 5.473 10.847 ( -5.206 13.789 -1.158) 14.784 11.139 ( -2.492 -6.877 0.422) 7.327 11.225 ( -5.325 -3.992 -1.945) 6.933 11.319 ( -13.796 -7.274 -1.747) 15.694 12.193 ( 4.869 10.430 -3.718) 12.096 12.319 ( 1.771 -1.483 -0.057) 2.310 12.583 ( 0.197 0.585 -3.325) 3.382 12.644 ( -2.829 -4.925 -1.392) 5.847 13.189 ( 5.304 0.843 1.751) 5.649 13.235 ( 4.833 -3.519 1.302) 6.119 13.833 ( -8.242 1.950 -2.027) 8.709 13.879 ( -9.417 -3.003 -4.736) 10.960 14.408 ( 5.752 5.170 0.678) 7.764 14.532 ( 8.730 -7.496 2.729) 11.826 15.318 ( 5.851 4.071 -0.668) 7.159 15.426 ( 6.858 -7.071 -0.429) 9.860 16.178 ( 3.783 3.420 1.679) 5.369 16.206 ( 3.521 0.818 1.792) 4.034 17.199 ( 9.479 6.708 -0.068) 11.613 17.269 ( 10.676 0.193 2.799) 11.039 17.450 ( 0.644 3.087 -0.461) 3.187 17.559 ( 0.979 -6.951 -0.478) 7.035 18.962 ( 2.992 18.369 3.971) 19.030 19.335 ( -0.057 -19.549 4.088) 19.972 20.330 ( -2.272 8.111 1.592) 8.572 20.519 ( -2.159 -10.976 3.278) 11.657 21.341 ( -8.873 5.748 -11.503) 15.623 21.424 ( -5.381 -2.702 -13.517) 14.798 21.800 ( 0.409 6.645 6.263) 9.141 21.918 ( -2.081 -4.970 3.013) 6.173 22.118 ( 0.203 10.703 2.170) 10.922 22.325 ( -0.210 -9.904 3.923) 10.655 24.319 ( 1.127 2.063 -0.047) 2.351 24.371 ( -0.092 -3.132 -0.253) 3.143 108.019 ( 0.015 1.005 -0.078) 1.008 108.039 ( 0.074 -1.105 -0.388) 1.173 109.018 ( -0.395 1.093 0.003) 1.162 109.034 ( -0.971 -0.459 -0.174) 1.088 109.142 ( -0.062 2.057 -0.129) 2.062 109.187 ( 1.298 -2.702 0.494) 3.038 ======================= Grid point 29 (18/148) ======================= q-point: ( 0.22 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 11.995 12.981 -7.855) 19.341 1.592 ( 7.383 13.675 -0.759) 15.560 1.648 ( 3.890 -13.207 -3.555) 14.220 1.867 ( 2.926 -13.413 -2.242) 13.910 2.383 ( -0.421 5.237 -0.469) 5.275 2.440 ( -1.286 -0.739 0.190) 1.495 3.211 ( 16.109 8.142 -2.296) 18.195 3.307 ( 9.141 -2.786 -3.769) 10.273 3.555 ( 12.117 6.497 8.079) 15.947 3.817 ( 13.454 -17.637 9.148) 23.995 4.728 ( -7.607 6.373 -3.082) 10.392 4.793 ( -4.912 -0.812 -2.365) 5.512 5.539 ( -16.503 5.874 -0.631) 17.529 5.624 ( -18.167 -2.648 -0.806) 18.376 6.079 ( -9.028 3.809 0.639) 9.819 6.178 ( -9.316 -5.930 0.492) 11.054 7.782 ( 1.073 9.409 -2.118) 9.704 7.945 ( 6.022 -6.309 -2.150) 8.983 8.377 ( 1.503 -1.657 1.542) 2.717 8.427 ( 0.416 -6.409 1.403) 6.574 9.022 ( 2.380 5.446 1.091) 6.043 9.143 ( 2.959 -6.543 0.800) 7.225 9.913 ( -4.749 13.226 -0.083) 14.053 10.138 ( -4.261 -9.957 0.465) 10.840 10.565 ( -10.667 9.259 0.259) 14.127 10.666 ( -5.685 -3.056 0.824) 6.507 10.819 ( 5.496 9.220 -2.147) 10.947 11.006 ( -5.826 -5.021 -2.014) 7.951 11.129 ( 1.883 -1.196 -1.898) 2.929 11.244 ( 2.365 -12.636 -0.476) 12.865 12.248 ( -2.816 7.040 -2.010) 7.844 12.265 ( -1.438 4.641 -2.198) 5.333 12.597 ( 0.119 -3.092 -3.919) 4.993 12.651 ( 3.881 -6.850 -4.130) 8.891 13.246 ( -1.580 3.505 3.073) 4.922 13.298 ( -0.505 -1.907 3.191) 3.752 13.650 ( -7.006 2.027 -3.345) 8.024 13.713 ( -5.361 -4.667 -5.487) 8.979 14.580 ( 9.759 4.935 2.185) 11.152 14.710 ( 8.172 -8.393 2.138) 11.907 15.459 ( 6.834 5.585 -0.757) 8.858 15.577 ( 6.809 -6.924 -0.398) 9.720 16.299 ( 7.098 4.598 1.846) 8.656 16.316 ( 7.066 3.290 0.313) 7.800 17.408 ( 7.873 4.439 -1.878) 9.231 17.471 ( 2.969 -2.233 0.503) 3.749 17.526 ( 10.858 2.348 6.020) 12.635 17.619 ( 6.115 -7.078 -0.769) 9.386 19.043 ( 3.912 15.374 5.753) 16.875 19.323 ( -1.870 -12.368 6.340) 14.024 20.275 ( -2.421 7.219 0.678) 7.644 20.472 ( -2.336 -12.154 3.577) 12.883 21.177 ( -4.946 7.670 -13.490) 16.288 21.302 ( -4.369 -5.061 -15.310) 16.707 21.801 ( -0.831 4.175 7.652) 8.756 21.860 ( -3.412 -1.390 3.564) 5.126 22.105 ( -1.751 9.094 1.657) 9.408 22.288 ( -3.663 -8.827 3.441) 10.158 24.332 ( -0.010 0.705 -0.253) 0.749 24.360 ( -0.965 -2.112 -0.291) 2.341 108.018 ( -0.049 0.967 -0.077) 0.972 108.039 ( -0.125 -1.113 -0.394) 1.187 109.006 ( -0.663 0.886 0.056) 1.108 109.011 ( -1.120 0.669 -0.015) 1.305 109.149 ( 0.684 2.312 -0.177) 2.417 109.211 ( 0.924 -3.915 0.235) 4.029 ======================= Grid point 30 (19/148) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 11.820 4.764 -5.898) 14.043 1.737 ( 5.585 -6.240 -1.339) 8.480 1.782 ( 9.616 8.297 -1.703) 12.814 1.958 ( 4.920 -9.468 -2.828) 11.038 2.333 ( -3.832 3.344 -0.480) 5.109 2.388 ( -3.709 -2.204 0.302) 4.325 3.432 ( 4.586 5.562 -0.193) 7.211 3.501 ( 12.016 0.829 -3.082) 12.433 3.838 ( 10.198 6.637 8.873) 15.059 4.085 ( 9.572 -15.002 6.163) 18.833 4.632 ( -0.857 9.623 -2.864) 10.076 4.762 ( 2.825 -4.205 -3.143) 5.962 5.184 ( -16.874 2.162 -0.888) 17.035 5.243 ( -16.977 -2.947 -0.549) 17.240 5.917 ( -5.713 4.761 0.279) 7.442 6.039 ( -3.297 -7.042 0.293) 7.781 7.806 ( 1.357 11.333 -1.113) 11.468 8.024 ( 0.782 -10.554 -1.462) 10.683 8.337 ( -2.682 6.121 1.028) 6.762 8.475 ( 0.502 -7.531 1.021) 7.617 9.047 ( 0.524 5.232 0.963) 5.345 9.149 ( -1.575 -5.017 0.672) 5.301 9.783 ( -6.208 13.725 -0.034) 15.064 10.037 ( -3.753 -12.842 -0.527) 13.390 10.315 ( -10.793 10.221 0.193) 14.866 10.497 ( -8.444 -8.449 -0.092) 11.945 10.871 ( -1.113 5.430 -1.956) 5.878 10.988 ( 0.429 -4.458 -1.491) 4.720 11.304 ( 12.445 0.561 -0.384) 12.464 11.364 ( 9.104 -6.589 -0.710) 11.261 12.157 ( -3.504 7.170 -0.955) 8.038 12.246 ( -1.069 -1.047 -1.586) 2.181 12.641 ( 3.484 -0.542 -3.632) 5.062 12.708 ( 2.122 -6.368 -3.371) 7.511 13.113 ( -9.348 4.927 1.836) 10.726 13.212 ( -7.493 -4.879 2.837) 9.381 13.572 ( -0.827 4.217 -2.980) 5.229 13.658 ( -0.473 -4.162 -2.320) 4.789 14.771 ( 7.544 3.434 2.022) 8.532 14.872 ( 6.982 -7.183 1.643) 10.151 15.578 ( 4.491 5.941 -0.644) 7.475 15.689 ( 3.967 -6.167 -0.423) 7.345 16.448 ( 6.717 7.877 0.294) 10.356 16.478 ( 7.425 4.603 -0.173) 8.737 17.481 ( 1.630 -0.671 -2.112) 2.751 17.540 ( 2.868 -6.061 1.307) 6.832 17.739 ( 8.664 2.491 3.704) 9.746 17.788 ( 7.759 -3.277 1.229) 8.512 19.116 ( 2.448 10.840 4.856) 12.128 19.263 ( -4.042 -2.864 5.506) 7.406 20.253 ( 0.328 3.711 -0.946) 3.843 20.431 ( -1.821 -13.383 1.450) 13.584 21.123 ( 0.272 5.825 -9.367) 11.034 21.231 ( -1.595 -5.119 -11.180) 12.399 21.783 ( -1.517 1.752 6.737) 7.125 21.798 ( -2.264 0.894 3.593) 4.340 22.053 ( -2.992 8.006 0.220) 8.549 22.192 ( -5.236 -5.674 1.672) 7.900 24.322 ( -0.773 -0.138 -0.175) 0.804 24.332 ( -1.526 -1.201 -0.385) 1.979 108.017 ( -0.084 0.819 -0.029) 0.824 108.034 ( -0.253 -0.944 -0.215) 1.000 108.991 ( -0.758 1.030 0.082) 1.282 108.992 ( -0.649 0.778 0.090) 1.017 109.165 ( 0.724 2.143 -0.209) 2.272 109.226 ( 0.539 -3.996 -0.012) 4.032 ======================= Grid point 31 (20/148) ======================= q-point: ( 0.44 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 6.453 -0.182 -3.160) 7.187 1.851 ( 4.043 -2.104 -0.230) 4.563 1.948 ( 5.418 2.971 -0.728) 6.222 2.033 ( 1.828 -5.067 -0.575) 5.418 2.247 ( -3.304 3.858 -0.394) 5.095 2.304 ( -3.497 -1.904 0.460) 4.008 3.505 ( 2.047 9.551 0.428) 9.777 3.705 ( 6.854 -9.394 -2.066) 11.811 3.935 ( 0.034 12.963 4.916) 13.864 4.202 ( 2.218 -12.208 1.535) 12.502 4.656 ( 1.836 14.222 -1.007) 14.375 4.834 ( 0.898 -2.758 -2.288) 3.694 4.902 ( -8.156 -1.622 -0.337) 8.322 4.989 ( -5.310 -10.766 0.949) 12.042 5.863 ( -0.188 7.667 -0.164) 7.671 6.024 ( 0.628 -8.358 -0.081) 8.382 7.843 ( 2.646 7.984 -0.237) 8.414 7.955 ( -5.810 -3.025 0.447) 6.566 8.322 ( 1.040 4.446 -0.305) 4.576 8.439 ( -2.655 -7.257 0.170) 7.729 9.058 ( 0.455 2.796 0.454) 2.869 9.118 ( -0.955 -3.330 0.271) 3.474 9.697 ( -1.939 15.596 -0.264) 15.718 9.980 ( -1.911 -11.560 -0.923) 11.753 10.181 ( -2.166 6.133 0.487) 6.522 10.365 ( -3.732 -10.983 0.380) 11.606 10.837 ( -1.243 5.753 -0.846) 5.946 10.972 ( -0.942 -7.327 -0.722) 7.423 11.526 ( 6.650 0.695 -0.002) 6.687 11.532 ( 5.063 0.179 -0.417) 5.083 12.112 ( -0.897 7.983 -0.278) 8.038 12.237 ( 0.207 -5.187 -0.364) 5.204 12.686 ( 0.669 0.580 -1.470) 1.716 12.761 ( 2.912 -6.375 -1.762) 7.227 12.943 ( -5.409 5.010 0.741) 7.410 13.057 ( -5.699 -6.411 1.272) 8.671 13.568 ( 0.124 4.895 -1.088) 5.017 13.659 ( 0.247 -3.542 -0.391) 3.572 14.878 ( 2.542 3.703 0.830) 4.567 14.980 ( 2.815 -7.065 0.631) 7.631 15.642 ( 1.622 5.853 -0.283) 6.081 15.744 ( 1.335 -5.472 -0.239) 5.638 16.553 ( 2.832 9.931 -0.178) 10.329 16.590 ( 2.910 5.690 -0.065) 6.391 17.503 ( 0.569 -1.724 -0.588) 1.908 17.583 ( 1.077 -9.460 0.418) 9.531 17.868 ( 3.205 2.225 1.138) 4.064 17.902 ( 2.936 -1.723 0.788) 3.494 19.149 ( 0.645 6.777 1.858) 7.056 19.192 ( -2.365 3.290 2.154) 4.589 20.271 ( 0.867 0.481 -0.605) 1.161 20.402 ( -0.843 -12.269 0.052) 12.298 21.144 ( 1.355 2.678 -3.222) 4.404 21.206 ( -0.434 -3.697 -4.144) 5.571 21.754 ( -0.871 2.443 2.148) 3.368 21.782 ( -0.194 -0.445 2.685) 2.729 22.001 ( -1.520 7.249 -0.436) 7.420 22.100 ( -2.910 -2.731 0.369) 4.008 24.306 ( -0.721 -0.512 0.568) 1.051 24.308 ( -0.424 -0.785 -0.807) 1.203 108.016 ( -0.036 0.666 -0.002) 0.667 108.030 ( -0.129 -0.770 -0.061) 0.783 108.981 ( -0.225 0.974 0.059) 1.002 108.982 ( -0.308 0.808 0.029) 0.865 109.176 ( 0.297 1.975 -0.093) 1.999 109.234 ( 0.179 -3.787 -0.040) 3.791 ======================= Grid point 63 (21/148) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.354 ( 2.719 0.000 17.127) 17.341 0.462 ( -7.222 0.000 23.370) 24.460 0.896 ( 0.684 0.000 44.700) 44.706 2.094 ( 0.267 0.000 0.396) 0.478 2.150 ( 1.292 0.000 -2.761) 3.048 2.443 ( -3.033 0.000 5.435) 6.224 2.919 ( -1.124 0.000 -5.343) 5.460 3.026 ( -5.844 0.000 -6.495) 8.737 3.800 ( 0.427 0.000 -1.491) 1.551 4.353 ( 0.460 0.000 0.360) 0.584 4.620 ( 2.704 0.000 -8.306) 8.735 4.676 ( 0.068 0.000 0.996) 0.998 5.367 ( -0.063 0.000 0.207) 0.217 5.988 ( -0.277 0.000 0.880) 0.922 6.110 ( 0.026 0.000 0.328) 0.329 6.539 ( 1.276 0.000 0.200) 1.292 7.682 ( 0.009 0.000 -0.429) 0.429 8.128 ( -0.420 0.000 -2.514) 2.549 8.546 ( 0.559 0.000 -0.280) 0.626 9.015 ( 5.149 0.000 -0.267) 5.156 9.163 ( -5.379 0.000 2.304) 5.852 9.294 ( 0.239 0.000 0.073) 0.250 9.432 ( 4.719 0.000 -1.283) 4.890 9.793 ( -1.972 0.000 -0.969) 2.198 10.441 ( 0.198 0.000 0.397) 0.443 10.529 ( -0.832 0.000 1.424) 1.649 10.817 ( 0.238 0.000 -0.502) 0.556 11.289 ( 2.401 0.000 0.220) 2.411 11.394 ( 1.294 0.000 -0.902) 1.577 11.599 ( 0.354 0.000 -0.060) 0.359 11.973 ( -8.089 0.000 -3.699) 8.895 12.244 ( 1.079 0.000 5.184) 5.295 12.464 ( -0.690 0.000 -0.321) 0.761 12.744 ( 6.557 0.000 -0.440) 6.572 13.264 ( -0.150 0.000 -0.108) 0.185 13.776 ( -59.656 0.000 -0.656) 59.660 13.798 ( -0.120 0.000 0.725) 0.735 14.238 ( -0.397 0.000 0.519) 0.653 14.381 ( -0.596 0.000 0.002) 0.596 14.514 ( -0.554 0.000 0.539) 0.773 15.321 ( 0.378 0.000 3.519) 3.539 15.853 ( -0.525 0.000 -1.224) 1.331 15.875 ( -5.736 0.000 -0.173) 5.739 16.234 ( 57.187 0.000 0.240) 57.188 16.442 ( 1.651 0.000 1.668) 2.347 16.566 ( -1.408 0.000 -0.775) 1.607 17.380 ( -2.123 0.000 -0.864) 2.293 18.381 ( 1.703 0.000 0.748) 1.860 18.621 ( -0.868 0.000 -0.441) 0.973 19.138 ( 1.165 0.000 4.086) 4.249 20.440 ( 0.716 0.000 -2.380) 2.485 20.800 ( -4.566 0.000 -1.657) 4.857 20.887 ( -2.676 0.000 -2.187) 3.456 21.190 ( -25.487 0.000 -7.288) 26.508 21.280 ( -0.134 0.000 6.245) 6.247 21.828 ( 0.663 0.000 10.576) 10.597 22.158 ( 0.483 0.000 -2.581) 2.626 22.850 ( 27.185 0.000 -7.775) 28.275 24.254 ( -4.056 0.000 1.528) 4.334 24.505 ( -1.119 0.000 0.041) 1.120 107.988 ( -0.165 0.000 0.155) 0.227 108.278 ( -11.119 0.000 0.150) 11.120 108.871 ( 0.226 0.000 0.245) 0.334 108.976 ( 0.007 0.000 -0.498) 0.498 109.106 ( -0.318 0.000 0.171) 0.361 109.221 ( 9.938 0.000 -0.786) 9.969 ======================= Grid point 64 (22/148) ======================= q-point: ( 0.11 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( 11.338 0.000 17.283) 20.670 0.680 ( 21.699 0.000 9.862) 23.835 1.389 ( 34.792 0.000 28.404) 44.914 2.088 ( -0.731 0.000 0.464) 0.866 2.193 ( 2.798 0.000 -1.544) 3.196 2.415 ( 0.150 0.000 2.703) 2.708 2.893 ( -0.916 0.000 -6.230) 6.297 3.165 ( 12.777 0.000 -13.440) 18.544 3.834 ( 2.822 0.000 -1.453) 3.174 4.213 ( -12.708 0.000 0.979) 12.746 4.538 ( -3.228 0.000 -2.417) 4.033 4.671 ( -0.742 0.000 1.038) 1.276 5.323 ( -3.923 0.000 0.132) 3.925 5.925 ( -6.572 0.000 0.313) 6.580 6.086 ( -2.258 0.000 0.376) 2.289 6.503 ( -4.611 0.000 1.003) 4.719 7.654 ( -2.885 0.000 -0.315) 2.903 8.102 ( -1.458 0.000 -2.705) 3.073 8.549 ( 0.442 0.000 -0.219) 0.493 8.977 ( -10.247 0.000 1.914) 10.424 9.071 ( -0.310 0.000 0.507) 0.594 9.327 ( 1.665 0.000 0.195) 1.676 9.411 ( -4.583 0.000 -0.317) 4.594 9.859 ( 6.764 0.000 -2.063) 7.072 10.462 ( 3.809 0.000 1.066) 3.956 10.632 ( 8.314 0.000 0.362) 8.322 10.670 ( -10.493 0.000 0.029) 10.493 11.342 ( 0.014 0.000 -0.123) 0.124 11.419 ( 1.071 0.000 0.295) 1.111 11.555 ( -6.276 0.000 -4.550) 7.752 11.698 ( -7.692 0.000 -0.912) 7.746 12.292 ( 3.929 0.000 -1.798) 4.321 12.464 ( 0.764 0.000 -0.943) 1.214 12.865 ( -0.334 0.000 5.512) 5.522 13.214 ( -4.667 0.000 -0.217) 4.672 13.485 ( 7.411 0.000 4.769) 8.813 13.722 ( -6.322 0.000 0.441) 6.337 14.329 ( 1.339 0.000 1.758) 2.210 14.371 ( 8.246 0.000 -2.327) 8.568 14.573 ( 5.290 0.000 0.303) 5.299 15.357 ( 1.759 0.000 4.206) 4.559 15.777 ( -5.647 0.000 -1.599) 5.869 15.864 ( 4.109 0.000 1.280) 4.304 16.312 ( -5.936 0.000 0.515) 5.958 16.833 ( 17.586 0.000 0.510) 17.593 17.111 ( 24.688 0.000 -32.988) 41.203 17.461 ( 8.879 0.000 -2.440) 9.208 18.324 ( -16.478 0.000 21.171) 26.827 18.439 ( 3.593 0.000 2.046) 4.134 19.151 ( -0.461 0.000 5.721) 5.739 20.493 ( 4.538 0.000 -2.899) 5.384 20.707 ( 0.747 0.000 -12.016) 12.039 20.823 ( -3.159 0.000 -4.254) 5.299 21.092 ( 4.490 0.000 -3.898) 5.946 21.273 ( -1.025 0.000 6.426) 6.508 21.908 ( 3.646 0.000 10.032) 10.674 22.133 ( -2.742 0.000 -2.171) 3.497 22.957 ( -10.636 0.000 -6.011) 12.217 24.308 ( 3.462 0.000 -2.187) 4.095 24.505 ( 0.673 0.000 -1.287) 1.452 107.986 ( 0.097 0.000 -0.049) 0.108 108.109 ( -3.081 0.000 4.332) 5.315 108.876 ( 0.266 0.000 0.397) 0.478 108.970 ( -0.511 0.000 -0.539) 0.743 109.108 ( 0.486 0.000 -0.036) 0.487 109.392 ( 3.235 0.000 -5.832) 6.670 ======================= Grid point 65 (23/148) ======================= q-point: ( 0.22 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( 18.556 0.000 5.399) 19.325 1.166 ( 23.621 0.000 5.615) 24.280 2.018 ( 14.611 0.000 12.807) 19.430 2.080 ( 5.343 0.000 4.593) 7.046 2.249 ( 2.267 0.000 -0.657) 2.360 2.443 ( 1.779 0.000 0.690) 1.908 2.870 ( -0.777 0.000 -5.960) 6.010 3.470 ( 17.716 0.000 -10.151) 20.418 3.906 ( -15.149 0.000 1.378) 15.211 3.937 ( 8.153 0.000 -1.482) 8.287 4.553 ( 4.299 0.000 -2.164) 4.814 4.643 ( -1.975 0.000 0.976) 2.204 5.214 ( -6.565 0.000 0.295) 6.572 5.705 ( -13.844 0.000 -0.698) 13.861 6.029 ( -2.979 0.000 -0.155) 2.983 6.378 ( -6.478 0.000 1.390) 6.625 7.562 ( -5.447 0.000 -0.116) 5.448 8.081 ( -0.232 0.000 -2.920) 2.929 8.582 ( 2.720 0.000 -0.278) 2.734 8.737 ( -13.934 0.000 -0.225) 13.936 9.033 ( -2.619 0.000 2.861) 3.878 9.305 ( -5.080 0.000 -1.302) 5.244 9.330 ( -1.320 0.000 0.055) 1.321 9.972 ( 2.252 0.000 -1.927) 2.964 10.534 ( -0.273 0.000 -0.320) 0.421 10.607 ( 9.146 0.000 1.126) 9.215 10.827 ( 9.676 0.000 0.286) 9.680 11.070 ( -20.806 0.000 -5.927) 21.634 11.443 ( 1.517 0.000 1.175) 1.919 11.488 ( -0.916 0.000 1.492) 1.751 11.715 ( 5.032 0.000 0.651) 5.074 12.330 ( -0.002 0.000 -5.364) 5.364 12.495 ( 2.296 0.000 -1.337) 2.656 12.955 ( 8.451 0.000 1.085) 8.521 13.073 ( -8.677 0.000 -0.254) 8.680 13.512 ( -3.863 0.000 8.282) 9.139 13.579 ( -6.744 0.000 0.214) 6.747 14.277 ( -3.258 0.000 2.779) 4.282 14.648 ( 12.694 0.000 -1.041) 12.737 14.696 ( 5.833 0.000 0.174) 5.835 15.393 ( 1.936 0.000 3.130) 3.681 15.662 ( -4.499 0.000 -2.105) 4.967 15.996 ( 7.473 0.000 -0.512) 7.490 16.222 ( -3.196 0.000 -0.178) 3.201 17.210 ( 17.829 0.000 1.355) 17.880 17.428 ( 10.663 0.000 -24.813) 27.007 17.645 ( 7.779 0.000 -3.330) 8.462 18.169 ( -0.346 0.000 20.236) 20.239 18.527 ( 4.504 0.000 2.265) 5.041 19.115 ( -3.835 0.000 8.355) 9.193 20.617 ( 6.990 0.000 -3.618) 7.871 20.756 ( 4.348 0.000 -13.039) 13.745 20.759 ( -1.821 0.000 -7.637) 7.851 21.197 ( 5.752 0.000 -5.716) 8.109 21.256 ( -0.834 0.000 7.321) 7.368 21.955 ( -0.068 0.000 8.708) 8.709 22.043 ( -5.733 0.000 -1.463) 5.917 22.645 ( -17.315 0.000 -0.657) 17.327 24.338 ( 0.402 0.000 -0.313) 0.509 24.499 ( -1.329 0.000 0.001) 1.329 107.990 ( 0.212 0.000 -0.025) 0.213 108.082 ( -0.646 0.000 1.712) 1.830 108.882 ( 0.248 0.000 0.407) 0.477 108.955 ( -0.862 0.000 -0.612) 1.057 109.124 ( 1.031 0.000 -0.035) 1.032 109.406 ( -0.430 0.000 -3.063) 3.093 ======================= Grid point 66 (24/148) ======================= q-point: ( 0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 18.667 0.000 -2.822) 18.879 1.634 ( 20.102 0.000 3.097) 20.339 2.027 ( -0.961 0.000 1.728) 1.977 2.261 ( -1.481 0.000 -0.218) 1.497 2.311 ( 5.946 0.000 9.552) 11.251 2.457 ( -1.308 0.000 1.999) 2.389 2.855 ( -0.083 0.000 -4.456) 4.456 3.646 ( -9.164 0.000 1.185) 9.240 3.778 ( 10.615 0.000 -8.404) 13.540 4.167 ( 10.547 0.000 -0.141) 10.548 4.594 ( -2.614 0.000 0.485) 2.659 4.735 ( 14.510 0.000 0.419) 14.516 5.050 ( -8.994 0.000 0.206) 8.997 5.418 ( -11.856 0.000 -0.973) 11.896 5.960 ( -3.733 0.000 -1.084) 3.887 6.285 ( -1.851 0.000 1.118) 2.162 7.462 ( -3.143 0.000 -0.461) 3.176 8.085 ( 0.685 0.000 -3.267) 3.338 8.368 ( -20.997 0.000 0.327) 20.999 8.645 ( 2.836 0.000 -0.226) 2.845 8.999 ( -0.772 0.000 2.474) 2.592 9.214 ( -3.168 0.000 -2.518) 4.047 9.288 ( -2.251 0.000 -0.121) 2.254 9.957 ( -2.141 0.000 -1.354) 2.534 10.519 ( -11.553 0.000 -4.188) 12.288 10.776 ( 2.970 0.000 0.218) 2.978 10.800 ( 8.616 0.000 0.847) 8.657 10.995 ( 5.477 0.000 0.757) 5.529 11.469 ( -0.744 0.000 5.048) 5.103 11.500 ( 4.126 0.000 1.265) 4.316 11.778 ( -1.039 0.000 0.674) 1.238 12.359 ( 5.477 0.000 -6.492) 8.494 12.551 ( 2.952 0.000 -1.227) 3.197 12.872 ( -9.881 0.000 -0.288) 9.885 13.141 ( 6.258 0.000 -1.735) 6.494 13.415 ( -3.513 0.000 9.728) 10.343 13.459 ( -4.665 0.000 0.130) 4.667 14.191 ( -5.634 0.000 3.394) 6.577 14.796 ( 3.571 0.000 0.287) 3.583 14.847 ( 6.576 0.000 -1.059) 6.661 15.462 ( 4.412 0.000 0.677) 4.464 15.602 ( -1.097 0.000 -2.779) 2.988 16.139 ( 5.838 0.000 -0.618) 5.871 16.170 ( -1.816 0.000 -0.565) 1.902 17.536 ( 1.967 0.000 -15.697) 15.820 17.551 ( 14.404 0.000 1.950) 14.536 17.777 ( 5.367 0.000 -2.167) 5.788 18.278 ( 7.322 0.000 11.826) 13.910 18.612 ( 2.962 0.000 1.570) 3.352 19.006 ( -6.902 0.000 9.714) 11.917 20.667 ( -1.470 0.000 -0.851) 1.699 20.831 ( 8.136 0.000 -12.868) 15.224 20.862 ( 6.674 0.000 -11.701) 13.471 21.269 ( 2.276 0.000 7.535) 7.871 21.324 ( 6.967 0.000 -4.678) 8.392 21.895 ( -8.359 0.000 -0.142) 8.361 21.923 ( -3.318 0.000 7.447) 8.153 22.277 ( -17.314 0.000 0.878) 17.337 24.332 ( -1.120 0.000 -0.673) 1.306 24.471 ( -0.805 0.000 3.317) 3.414 107.994 ( 0.228 0.000 0.078) 0.241 108.072 ( -0.505 0.000 1.033) 1.150 108.887 ( 0.173 0.000 0.278) 0.327 108.936 ( -0.863 0.000 -0.685) 1.102 109.147 ( 1.100 0.000 0.095) 1.104 109.390 ( -0.683 0.000 -2.082) 2.191 ======================= Grid point 67 (25/148) ======================= q-point: ( 0.44 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 10.755 0.000 -6.918) 12.788 1.950 ( 8.377 0.000 0.542) 8.395 2.045 ( 3.168 0.000 0.621) 3.228 2.198 ( -3.403 0.000 -0.166) 3.407 2.377 ( -5.665 0.000 4.550) 7.266 2.396 ( 1.981 0.000 9.572) 9.775 2.863 ( 0.963 0.000 -2.249) 2.446 3.530 ( -2.555 0.000 0.507) 2.605 3.925 ( 4.938 0.000 -7.023) 8.586 4.264 ( -0.240 0.000 0.525) 0.577 4.545 ( -1.647 0.000 0.218) 1.662 4.886 ( -5.115 0.000 -0.784) 5.174 5.063 ( 11.574 0.000 1.217) 11.638 5.257 ( -3.450 0.000 -0.064) 3.450 5.892 ( -1.940 0.000 -1.059) 2.210 6.284 ( 0.613 0.000 0.373) 0.717 7.470 ( 4.085 0.000 -0.954) 4.195 7.942 ( -17.087 0.000 0.206) 17.088 8.099 ( 0.825 0.000 -3.278) 3.380 8.684 ( 0.696 0.000 -0.380) 0.793 8.984 ( -1.421 0.000 0.405) 1.477 9.176 ( -0.359 0.000 -2.472) 2.498 9.254 ( -0.770 0.000 -0.112) 0.778 9.906 ( -2.132 0.000 -1.051) 2.377 10.286 ( -5.249 0.000 -1.904) 5.584 10.941 ( 6.621 0.000 0.181) 6.624 10.947 ( 5.128 0.000 0.729) 5.180 11.037 ( -0.975 0.000 0.871) 1.308 11.462 ( -1.627 0.000 9.617) 9.753 11.590 ( 2.775 0.000 0.754) 2.876 11.723 ( -0.308 0.000 -0.174) 0.354 12.548 ( 11.663 0.000 -5.069) 12.717 12.601 ( 1.492 0.000 -0.770) 1.679 12.709 ( -4.434 0.000 -0.280) 4.443 13.088 ( -8.384 0.000 5.501) 10.028 13.390 ( -1.805 0.000 0.064) 1.806 13.481 ( 5.527 0.000 2.705) 6.154 14.056 ( -6.504 0.000 1.553) 6.687 14.845 ( 1.299 0.000 0.663) 1.459 14.931 ( 1.927 0.000 -1.880) 2.693 15.548 ( 2.951 0.000 -0.308) 2.967 15.601 ( 0.769 0.000 -3.011) 3.108 16.146 ( -0.527 0.000 -0.678) 0.859 16.223 ( 2.027 0.000 -0.291) 2.048 17.514 ( -2.607 0.000 -13.908) 14.150 17.786 ( 7.256 0.000 2.802) 7.779 17.861 ( 2.659 0.000 -0.079) 2.660 18.413 ( 3.949 0.000 7.407) 8.394 18.630 ( -1.374 0.000 0.268) 1.400 18.876 ( -5.444 0.000 8.337) 9.957 20.642 ( -0.506 0.000 -1.379) 1.469 20.956 ( 4.168 0.000 -8.947) 9.870 20.995 ( 6.101 0.000 -10.787) 12.393 21.387 ( 8.515 0.000 3.030) 9.038 21.473 ( 7.249 0.000 -3.667) 8.124 21.702 ( -10.028 0.000 2.216) 10.270 21.842 ( -5.628 0.000 7.437) 9.326 21.974 ( -9.645 0.000 1.371) 9.742 24.298 ( -1.466 0.000 -1.894) 2.395 24.476 ( 0.628 0.000 6.024) 6.056 107.998 ( 0.117 0.000 0.118) 0.166 108.066 ( -0.044 0.000 0.975) 0.976 108.888 ( -0.175 0.000 -0.051) 0.183 108.923 ( -0.244 0.000 -0.604) 0.651 109.166 ( 0.589 0.000 0.267) 0.647 109.378 ( -0.316 0.000 -1.743) 1.771 ======================= Grid point 68 (26/148) ======================= q-point: (-0.44 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 1.069 0.000 -4.365) 4.494 1.904 ( -11.603 0.000 -0.978) 11.644 2.099 ( -2.116 0.000 -0.430) 2.159 2.189 ( 1.607 0.000 -0.960) 1.872 2.237 ( -4.978 0.000 7.552) 9.046 2.472 ( 4.281 0.000 8.315) 9.352 2.889 ( 1.623 0.000 -1.079) 1.949 3.523 ( 1.948 0.000 0.219) 1.960 3.979 ( 0.443 0.000 -4.005) 4.030 4.210 ( -4.376 0.000 -2.126) 4.865 4.543 ( 1.090 0.000 0.013) 1.090 4.882 ( 4.934 0.000 -0.829) 5.003 5.073 ( -10.590 0.000 1.703) 10.726 5.270 ( 4.667 0.000 0.428) 4.687 5.895 ( 2.198 0.000 -0.985) 2.409 6.282 ( -1.075 0.000 0.267) 1.107 7.494 ( -3.705 0.000 -0.007) 3.705 7.883 ( 13.766 0.000 -2.106) 13.926 8.111 ( 0.508 0.000 -2.827) 2.873 8.669 ( -1.956 0.000 -0.920) 2.162 8.935 ( -2.639 0.000 -1.966) 3.290 9.182 ( 0.833 0.000 -1.317) 1.558 9.261 ( 1.361 0.000 0.172) 1.372 9.898 ( 1.272 0.000 -1.543) 2.000 10.341 ( 10.477 0.000 -0.169) 10.478 10.948 ( -5.115 0.000 0.772) 5.173 10.953 ( -5.669 0.000 0.709) 5.713 11.035 ( 0.693 0.000 0.726) 1.003 11.412 ( -1.851 0.000 5.522) 5.824 11.564 ( -5.078 0.000 -0.288) 5.086 11.839 ( 8.423 0.000 6.673) 10.746 12.612 ( -0.363 0.000 -0.313) 0.480 12.716 ( 4.969 0.000 0.024) 4.969 12.752 ( 4.439 0.000 -3.218) 5.483 12.962 ( 0.340 0.000 7.178) 7.186 13.388 ( 1.634 0.000 -0.011) 1.634 13.494 ( -5.159 0.000 3.138) 6.039 13.997 ( 1.751 0.000 -0.835) 1.940 14.856 ( -0.293 0.000 1.113) 1.151 14.929 ( -2.022 0.000 -2.230) 3.010 15.558 ( -2.217 0.000 -0.128) 2.220 15.615 ( 0.753 0.000 -2.499) 2.610 16.147 ( 0.735 0.000 -0.573) 0.932 16.217 ( -2.648 0.000 -0.622) 2.720 17.407 ( -6.669 0.000 -17.141) 18.393 17.811 ( -5.809 0.000 4.324) 7.241 17.883 ( -0.655 0.000 1.499) 1.636 18.442 ( -1.589 0.000 6.744) 6.929 18.590 ( -1.748 0.000 -3.336) 3.767 18.812 ( -0.896 0.000 7.042) 7.099 20.640 ( 0.197 0.000 -1.858) 1.869 21.004 ( 1.436 0.000 -5.616) 5.797 21.054 ( -0.427 0.000 -9.323) 9.332 21.468 ( -8.728 0.000 5.214) 10.167 21.586 ( 2.780 0.000 0.416) 2.811 21.622 ( 9.548 0.000 -0.690) 9.573 21.724 ( -2.441 0.000 3.619) 4.365 21.944 ( 4.708 0.000 0.728) 4.764 24.286 ( 0.585 0.000 -2.532) 2.599 24.495 ( 0.553 0.000 6.897) 6.920 107.998 ( -0.149 0.000 0.118) 0.190 108.076 ( 0.943 0.000 1.337) 1.636 108.880 ( -0.463 0.000 -0.404) 0.615 108.926 ( 0.527 0.000 -0.429) 0.680 109.170 ( -0.240 0.000 0.454) 0.514 109.373 ( -0.020 0.000 -1.938) 1.938 ======================= Grid point 69 (27/148) ======================= q-point: (-0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( -20.978 0.000 0.126) 20.978 1.650 ( -11.569 0.000 6.037) 13.050 2.002 ( -2.186 0.000 2.489) 3.313 2.153 ( -7.612 0.000 3.472) 8.367 2.207 ( -0.108 0.000 -3.007) 3.009 2.565 ( 3.290 0.000 6.064) 6.899 2.925 ( 1.770 0.000 -1.285) 2.187 3.631 ( 8.950 0.000 0.586) 8.969 3.917 ( -7.206 0.000 -0.856) 7.257 4.061 ( -9.990 0.000 -5.417) 11.364 4.572 ( 1.654 0.000 -0.601) 1.760 4.763 ( -14.751 0.000 1.637) 14.841 5.044 ( 8.918 0.000 0.114) 8.918 5.453 ( 12.614 0.000 0.473) 12.623 5.963 ( 3.725 0.000 -1.166) 3.903 6.260 ( 0.154 0.000 0.233) 0.279 7.470 ( 2.210 0.000 -0.339) 2.236 8.113 ( -0.050 0.000 -2.168) 2.168 8.282 ( 20.860 0.000 -3.078) 21.086 8.610 ( -3.300 0.000 -1.529) 3.637 8.910 ( 1.312 0.000 -1.687) 2.137 9.210 ( 2.050 0.000 -0.991) 2.277 9.301 ( 2.211 0.000 0.419) 2.250 9.932 ( 1.947 0.000 -2.518) 3.183 10.674 ( 17.878 0.000 -0.115) 17.878 10.774 ( -7.956 0.000 1.574) 8.110 10.801 ( -8.811 0.000 0.853) 8.852 10.993 ( -5.093 0.000 0.664) 5.136 11.419 ( 1.844 0.000 2.020) 2.735 11.440 ( -5.118 0.000 -1.130) 5.241 11.942 ( -0.831 0.000 8.035) 8.078 12.582 ( -2.239 0.000 -0.009) 2.239 12.747 ( -1.423 0.000 4.623) 4.837 12.883 ( 9.800 0.000 0.149) 9.802 13.048 ( -0.583 0.000 -3.633) 3.679 13.435 ( 6.002 0.000 13.556) 14.826 13.455 ( 4.667 0.000 -0.011) 4.667 14.085 ( 5.642 0.000 0.129) 5.644 14.827 ( -2.846 0.000 1.562) 3.246 14.843 ( -6.074 0.000 -1.939) 6.376 15.466 ( -5.924 0.000 0.016) 5.924 15.634 ( 1.516 0.000 -1.701) 2.278 16.114 ( -7.004 0.000 -2.268) 7.362 16.174 ( 1.776 0.000 -0.351) 1.811 17.196 ( -12.538 0.000 -23.869) 26.962 17.580 ( -15.384 0.000 3.930) 15.878 17.836 ( -4.113 0.000 2.474) 4.800 18.380 ( -4.081 0.000 8.302) 9.250 18.525 ( -4.395 0.000 -4.491) 6.284 18.871 ( 5.453 0.000 5.628) 7.836 20.627 ( -1.772 0.000 -3.960) 4.338 20.977 ( -5.134 0.000 -5.702) 7.673 21.010 ( -0.602 0.000 -4.718) 4.757 21.304 ( -5.863 0.000 10.275) 11.830 21.612 ( 0.699 0.000 1.115) 1.316 21.759 ( 3.860 0.000 5.921) 7.068 21.833 ( 9.693 0.000 -2.873) 10.110 22.105 ( 9.547 0.000 -6.638) 11.627 24.316 ( 2.299 0.000 -3.010) 3.788 24.510 ( 0.425 0.000 6.543) 6.556 107.994 ( -0.204 0.000 0.129) 0.241 108.108 ( 2.018 0.000 2.284) 3.048 108.871 ( -0.309 0.000 -0.433) 0.532 108.940 ( 0.825 0.000 -0.429) 0.930 109.158 ( -0.880 0.000 0.607) 1.069 109.369 ( -0.380 0.000 -2.953) 2.977 ======================= Grid point 70 (28/148) ======================= q-point: (-0.22 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( -23.849 0.000 2.528) 23.982 1.321 ( -19.177 0.000 15.608) 24.726 1.840 ( -23.920 0.000 8.371) 25.343 2.021 ( 2.436 0.000 -0.233) 2.447 2.181 ( -1.766 0.000 -4.071) 4.437 2.594 ( -1.280 0.000 5.954) 6.091 2.950 ( 0.575 0.000 -2.282) 2.353 3.622 ( -17.347 0.000 -3.530) 17.702 3.892 ( 15.186 0.000 0.798) 15.207 3.902 ( -4.663 0.000 -1.668) 4.953 4.552 ( -6.269 0.000 -2.423) 6.721 4.613 ( 2.291 0.000 -0.297) 2.310 5.209 ( 6.756 0.000 0.208) 6.759 5.740 ( 13.125 0.000 0.708) 13.144 6.028 ( 2.760 0.000 -0.570) 2.819 6.326 ( 5.911 0.000 -0.397) 5.925 7.555 ( 5.001 0.000 -0.645) 5.043 8.110 ( 0.115 0.000 -1.760) 1.764 8.547 ( -2.282 0.000 -1.655) 2.819 8.641 ( 13.065 0.000 -3.797) 13.605 9.012 ( 7.978 0.000 1.526) 8.122 9.265 ( 3.196 0.000 -1.158) 3.399 9.337 ( 0.737 0.000 0.315) 0.801 9.962 ( 0.174 0.000 -2.505) 2.511 10.600 ( -3.442 0.000 2.008) 3.985 10.603 ( -9.379 0.000 0.806) 9.414 10.841 ( -8.916 0.000 1.040) 8.976 11.091 ( 16.630 0.000 -3.680) 17.032 11.375 ( -1.278 0.000 -1.623) 2.066 11.483 ( 4.272 0.000 0.369) 4.288 11.859 ( -4.958 0.000 6.460) 8.144 12.532 ( -2.321 0.000 0.142) 2.326 12.613 ( -12.712 0.000 1.183) 12.767 12.988 ( -2.246 0.000 -0.087) 2.247 13.082 ( 8.595 0.000 0.096) 8.595 13.577 ( 6.879 0.000 0.132) 6.880 13.766 ( 20.308 0.000 19.075) 27.862 14.228 ( 8.381 0.000 7.098) 10.983 14.684 ( -8.374 0.000 0.008) 8.374 14.734 ( -6.167 0.000 1.707) 6.399 15.346 ( -4.840 0.000 -0.759) 4.900 15.691 ( 4.246 0.000 -1.127) 4.393 15.926 ( -10.835 0.000 -6.134) 12.451 16.220 ( 2.777 0.000 -0.127) 2.780 16.833 ( -20.491 0.000 -33.195) 39.010 17.222 ( -18.592 0.000 2.262) 18.729 17.710 ( -8.256 0.000 2.577) 8.649 18.334 ( 0.024 0.000 10.693) 10.693 18.428 ( -3.931 0.000 -3.018) 4.956 18.999 ( 5.630 0.000 4.347) 7.113 20.555 ( -4.411 0.000 -5.316) 6.908 20.876 ( -3.719 0.000 -2.502) 4.483 20.977 ( -1.908 0.000 -1.405) 2.369 21.254 ( -0.433 0.000 9.406) 9.416 21.614 ( -0.537 0.000 -3.597) 3.637 21.873 ( 6.183 0.000 13.019) 14.412 22.006 ( 7.019 0.000 -3.112) 7.678 22.274 ( 6.414 0.000 -14.628) 15.972 24.361 ( 1.884 0.000 -3.630) 4.090 24.525 ( 0.522 0.000 4.991) 5.019 107.991 ( -0.110 0.000 0.187) 0.217 108.166 ( 3.493 0.000 4.070) 5.363 108.867 ( -0.079 0.000 -0.265) 0.277 108.957 ( 0.803 0.000 -0.460) 0.925 109.137 ( -1.076 0.000 0.623) 1.244 109.344 ( -2.040 0.000 -5.146) 5.536 ======================= Grid point 71 (29/148) ======================= q-point: (-0.11 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.602 ( -21.234 0.000 7.863) 22.643 0.903 ( -23.492 0.000 17.521) 29.306 1.227 ( -31.100 0.000 24.978) 39.889 2.071 ( 1.948 0.000 0.041) 1.949 2.147 ( -0.779 0.000 -3.808) 3.887 2.528 ( -4.874 0.000 6.548) 8.162 2.944 ( -0.770 0.000 -3.820) 3.897 3.308 ( -13.483 0.000 -9.404) 16.438 3.829 ( -2.656 0.000 -0.952) 2.822 4.201 ( 12.797 0.000 0.433) 12.805 4.495 ( 2.401 0.000 -3.088) 3.912 4.658 ( 1.725 0.000 0.573) 1.818 5.323 ( 4.067 0.000 0.166) 4.070 5.940 ( 5.518 0.000 0.884) 5.588 6.083 ( 2.360 0.000 0.036) 2.361 6.460 ( 5.934 0.000 -0.444) 5.950 7.646 ( 3.388 0.000 -0.479) 3.422 8.121 ( 0.932 0.000 -1.984) 2.192 8.527 ( 0.535 0.000 -1.019) 1.150 8.858 ( 9.265 0.000 -2.703) 9.651 9.161 ( 4.469 0.000 3.219) 5.508 9.322 ( -1.911 0.000 0.032) 1.911 9.333 ( 3.471 0.000 -0.078) 3.472 9.895 ( -5.836 0.000 -0.280) 5.843 10.459 ( -3.768 0.000 0.699) 3.833 10.652 ( -8.741 0.000 1.433) 8.857 10.674 ( 9.043 0.000 -0.987) 9.097 11.279 ( 1.781 0.000 -1.634) 2.417 11.371 ( 0.773 0.000 -1.651) 1.823 11.558 ( 2.193 0.000 -2.729) 3.501 11.893 ( 8.731 0.000 5.330) 10.229 12.325 ( -12.278 0.000 -0.509) 12.289 12.490 ( -1.699 0.000 0.084) 1.701 12.885 ( -8.802 0.000 2.290) 9.095 13.220 ( 4.467 0.000 0.015) 4.467 13.723 ( 6.391 0.000 0.484) 6.409 14.142 ( 11.107 0.000 2.198) 11.322 14.396 ( 0.474 0.000 5.059) 5.081 14.595 ( -6.425 0.000 1.222) 6.540 14.610 ( 2.784 0.000 11.560) 11.890 15.300 ( 2.265 0.000 2.752) 3.564 15.653 ( -12.575 0.000 -10.875) 16.625 15.796 ( 5.140 0.000 -0.951) 5.227 16.292 ( -27.226 0.000 -30.127) 40.607 16.300 ( 5.468 0.000 0.156) 5.470 16.841 ( -17.486 0.000 0.931) 17.510 17.517 ( -9.427 0.000 1.232) 9.507 18.373 ( -1.069 0.000 -1.164) 1.581 18.431 ( 9.000 0.000 10.710) 13.989 19.093 ( 3.049 0.000 3.893) 4.945 20.467 ( -2.963 0.000 -3.857) 4.864 20.825 ( -1.123 0.000 0.234) 1.147 20.936 ( -2.017 0.000 -0.627) 2.112 21.268 ( 0.645 0.000 7.142) 7.171 21.579 ( -3.563 0.000 -9.554) 10.197 21.968 ( -3.554 0.000 2.109) 4.133 22.116 ( 3.810 0.000 -2.895) 4.785 22.369 ( 9.304 0.000 -3.936) 10.102 24.364 ( -2.159 0.000 -4.697) 5.169 24.531 ( -0.594 0.000 1.988) 2.075 107.989 ( -0.058 0.000 0.240) 0.247 108.269 ( 6.149 0.000 4.949) 7.894 108.867 ( 0.108 0.000 -0.005) 0.109 108.971 ( 0.500 0.000 -0.478) 0.692 109.118 ( -0.813 0.000 0.494) 0.951 109.257 ( -6.231 0.000 -6.977) 9.355 ======================= Grid point 72 (30/148) ======================= q-point: ( 0.00 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( -9.129 19.782 13.734) 25.754 0.688 ( -3.912 12.519 21.664) 25.325 1.087 ( 5.793 25.761 26.304) 37.271 2.089 ( 0.548 -0.990 0.522) 1.246 2.212 ( 2.422 3.542 -2.254) 4.847 2.355 ( -3.944 -6.463 6.021) 9.674 2.927 ( -1.740 -1.822 -7.442) 7.857 3.004 ( -3.771 -2.237 -6.285) 7.663 3.693 ( -0.925 -9.578 -2.235) 9.879 4.107 ( 4.091 -17.281 0.095) 17.759 4.699 ( -2.912 8.913 -0.787) 9.410 4.810 ( 1.867 6.074 -4.309) 7.677 5.497 ( -0.109 12.049 0.188) 12.051 6.010 ( -0.031 1.789 1.057) 2.078 6.145 ( 0.295 3.639 0.373) 3.670 6.531 ( 0.930 -0.819 0.492) 1.334 7.714 ( -0.069 3.154 -0.503) 3.195 8.045 ( -0.364 -8.098 -1.643) 8.271 8.396 ( 1.103 -12.410 -0.953) 12.495 9.010 ( 2.710 -2.447 -0.175) 3.655 9.098 ( -3.519 -6.143 3.094) 7.726 9.209 ( 0.886 -8.360 -0.145) 8.408 9.473 ( 1.726 6.718 -1.042) 7.014 9.926 ( -0.600 11.499 -0.825) 11.544 10.423 ( 0.230 -0.400 0.120) 0.476 10.535 ( -1.071 0.057 -0.322) 1.120 10.922 ( 0.431 9.075 -0.132) 9.086 11.211 ( 0.502 -6.687 -1.093) 6.795 11.395 ( 1.480 -0.731 -0.099) 1.653 11.626 ( 0.725 2.267 -0.572) 2.448 11.943 ( -10.458 -1.626 -3.190) 11.054 12.231 ( 5.195 0.458 1.555) 5.442 12.539 ( -3.601 5.069 1.836) 6.484 12.730 ( 2.620 -0.805 1.045) 2.933 13.288 ( 1.775 0.635 0.840) 2.064 13.546 ( -23.838 -15.849 11.377) 30.803 13.811 ( -0.188 1.344 0.542) 1.461 14.139 ( -9.744 -4.227 -4.409) 11.501 14.310 ( -2.896 -0.544 -1.034) 3.123 14.691 ( 6.047 0.238 10.043) 11.726 15.299 ( -0.423 -2.948 3.245) 4.405 15.681 ( 2.727 -9.327 -1.554) 9.841 15.875 ( 2.900 1.716 -5.710) 6.630 16.127 ( 14.666 1.936 4.108) 15.353 16.610 ( -4.710 9.517 -4.403) 11.495 16.823 ( 11.239 14.133 -4.004) 18.496 17.387 ( -1.846 0.690 -0.610) 2.063 18.007 ( -2.810 -19.113 13.422) 23.523 18.504 ( 3.784 5.513 7.094) 9.749 19.722 ( 6.199 15.248 -12.173) 20.472 20.460 ( -0.608 -15.689 -0.386) 15.706 20.640 ( 5.335 2.654 -19.160) 20.065 21.114 ( -16.162 15.056 -15.523) 26.997 21.305 ( -5.389 4.317 2.281) 7.272 21.384 ( -10.536 13.781 0.222) 17.348 21.839 ( 1.769 1.395 9.211) 9.483 22.138 ( 0.816 -2.183 -2.111) 3.144 22.695 ( 18.362 -11.036 1.773) 21.497 24.250 ( -1.587 0.047 1.585) 2.244 24.487 ( -0.923 -1.833 0.001) 2.053 107.991 ( -0.103 0.393 0.195) 0.451 108.164 ( -4.171 -5.554 5.199) 8.676 108.982 ( 0.017 0.584 -0.452) 0.738 108.992 ( -2.738 5.826 -5.328) 8.356 109.104 ( -0.225 -0.108 0.049) 0.254 109.205 ( 6.456 -1.281 -0.099) 6.583 ======================= Grid point 73 (31/148) ======================= q-point: ( 0.11 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( 7.349 8.695 15.685) 19.382 0.849 ( 15.907 12.354 12.818) 23.874 1.558 ( 29.867 17.395 18.196) 39.061 2.078 ( -1.583 -1.445 1.028) 2.377 2.269 ( 1.754 6.744 0.293) 6.974 2.313 ( 0.916 -9.745 2.577) 10.122 2.890 ( -0.911 -1.968 -7.827) 8.122 3.104 ( 11.457 -4.149 -9.596) 15.510 3.674 ( -0.120 -11.695 -1.703) 11.819 4.216 ( 5.604 -6.543 2.569) 8.990 4.538 ( -11.000 6.526 -3.267) 13.201 4.757 ( -3.862 5.116 -1.204) 6.522 5.426 ( -6.025 9.502 -0.157) 11.252 5.933 ( -8.116 0.643 0.478) 8.155 6.116 ( -3.011 2.947 0.593) 4.255 6.494 ( -4.460 -0.955 1.199) 4.716 7.666 ( -4.249 1.197 -0.389) 4.431 8.036 ( -0.051 -6.310 -2.032) 6.629 8.439 ( 3.549 -8.608 -0.599) 9.331 8.958 ( -8.662 -6.372 -1.090) 10.808 9.026 ( -1.733 -2.361 3.311) 4.421 9.269 ( 4.500 -4.826 0.514) 6.618 9.470 ( -2.358 6.875 -1.882) 7.508 9.995 ( 5.014 12.223 -1.266) 13.272 10.476 ( 4.776 1.365 0.468) 4.989 10.536 ( 0.452 -4.624 -0.965) 4.746 10.768 ( -7.583 5.061 0.868) 9.158 11.243 ( -0.044 -6.549 0.521) 6.570 11.461 ( -5.466 -0.359 -1.194) 5.607 11.562 ( -2.089 -0.613 -3.394) 4.032 11.711 ( -2.381 3.579 -1.950) 4.720 12.283 ( -2.197 0.728 0.806) 2.450 12.492 ( 3.061 1.795 -2.388) 4.277 12.828 ( 1.138 -2.891 4.302) 5.307 13.261 ( -5.993 2.908 1.238) 6.775 13.437 ( 7.194 -4.410 5.029) 9.823 13.739 ( -6.819 1.551 -0.271) 6.999 14.059 ( 1.638 -15.729 -1.398) 15.875 14.332 ( 5.256 0.208 1.350) 5.430 14.803 ( 5.572 7.263 2.752) 9.559 15.301 ( 0.188 -4.400 2.319) 4.977 15.740 ( 2.715 -5.935 -0.450) 6.542 15.907 ( 2.583 6.306 -2.242) 7.174 16.263 ( -3.647 -3.628 3.977) 6.502 16.796 ( 19.768 2.750 -7.317) 21.257 17.171 ( 18.218 3.947 -12.735) 22.575 17.447 ( 7.049 -0.903 -0.716) 7.143 17.972 ( -1.169 -14.614 14.544) 20.651 18.608 ( 4.796 7.848 9.370) 13.130 19.587 ( -14.953 23.244 -3.164) 27.818 20.452 ( 0.125 -17.426 -0.487) 17.433 20.647 ( -4.550 13.697 -12.347) 18.994 20.799 ( 1.755 -4.185 -16.130) 16.756 21.191 ( -4.078 2.748 2.922) 5.720 21.403 ( 1.843 14.824 1.408) 15.004 21.914 ( 3.058 0.515 8.921) 9.444 22.119 ( -2.418 -1.366 -1.759) 3.287 22.832 ( -5.031 -10.728 -1.499) 11.943 24.299 ( 3.245 -0.598 -0.770) 3.389 24.478 ( 0.089 -2.373 -0.580) 2.444 107.990 ( 0.099 0.470 -0.002) 0.480 108.096 ( -1.853 -1.070 3.413) 4.028 108.930 ( -1.714 4.289 -0.905) 4.707 108.977 ( -0.467 0.653 -0.501) 0.946 109.106 ( 0.476 -0.142 -0.083) 0.503 109.337 ( 3.749 -4.562 -3.152) 6.694 ======================= Grid point 74 (32/148) ======================= q-point: ( 0.22 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( 17.944 3.423 4.164) 18.736 1.249 ( 20.477 7.392 7.864) 23.147 2.034 ( -2.465 -2.912 1.681) 4.169 2.089 ( 16.106 4.895 8.593) 18.900 2.275 ( -0.012 -1.528 2.251) 2.721 2.391 ( 4.337 -1.425 0.937) 4.660 2.900 ( 2.636 2.948 -5.469) 6.749 3.376 ( 12.842 -7.466 -8.444) 17.087 3.731 ( 7.811 -7.423 0.574) 10.791 4.201 ( -8.094 15.335 -1.322) 17.391 4.452 ( 5.564 -8.379 -0.978) 10.106 4.695 ( -1.574 3.010 -0.140) 3.399 5.272 ( -8.419 5.552 -0.277) 10.089 5.674 ( -15.810 -2.568 -0.748) 16.035 6.036 ( -4.456 0.598 0.159) 4.499 6.367 ( -6.970 -1.480 1.617) 7.307 7.563 ( -4.802 0.658 -0.237) 4.852 8.051 ( 1.659 -2.743 -2.526) 4.081 8.534 ( 4.511 -3.604 -0.542) 5.799 8.726 ( -12.941 -3.604 -0.953) 13.467 9.002 ( -1.014 -1.796 3.227) 3.829 9.312 ( -1.556 -1.055 0.024) 1.880 9.398 ( -3.698 8.145 -2.088) 9.186 10.053 ( -0.102 8.360 -1.135) 8.437 10.447 ( -2.670 -6.491 -1.638) 7.207 10.660 ( 9.886 3.315 1.326) 10.511 10.799 ( 5.938 -2.678 0.713) 6.553 11.056 ( -17.111 -1.595 -4.476) 17.759 11.300 ( -0.111 -7.492 0.070) 7.493 11.613 ( 1.097 2.927 3.287) 4.536 11.777 ( 5.392 7.407 -1.278) 9.251 12.218 ( -1.996 -6.576 -2.759) 7.406 12.563 ( 2.425 3.420 -3.296) 5.333 12.887 ( 4.296 -5.711 -0.182) 7.149 13.132 ( -6.091 4.632 1.593) 7.817 13.482 ( -2.538 -2.704 7.734) 8.578 13.591 ( -6.596 0.870 -0.100) 6.654 14.050 ( -2.591 -16.961 0.440) 17.164 14.548 ( 12.148 -1.524 0.931) 12.278 14.935 ( 6.685 8.217 0.529) 10.606 15.306 ( 0.290 -3.891 0.596) 3.947 15.767 ( 0.856 5.070 -0.643) 5.181 16.024 ( 7.418 3.298 -1.355) 8.231 16.178 ( -3.520 -1.457 1.688) 4.167 17.193 ( 17.855 0.142 -4.148) 18.331 17.469 ( 10.970 2.725 -14.438) 18.336 17.622 ( 8.654 -1.862 -0.536) 8.868 18.003 ( 3.483 -11.132 12.853) 17.356 18.702 ( 3.603 11.735 8.362) 14.853 19.299 ( -11.538 16.073 4.749) 20.347 20.469 ( 1.649 -16.046 -2.301) 16.294 20.664 ( 5.398 4.393 -6.838) 9.757 20.864 ( 4.275 -1.922 -18.542) 19.126 21.118 ( -2.746 -3.359 2.424) 4.970 21.440 ( 2.011 14.109 1.207) 14.303 21.950 ( -0.455 -0.538 8.158) 8.188 22.039 ( -5.095 -0.325 -1.087) 5.220 22.610 ( -14.125 -3.531 0.200) 14.561 24.331 ( 0.397 -0.605 -0.185) 0.747 24.472 ( -0.972 -2.513 0.224) 2.704 107.994 ( 0.169 0.407 0.025) 0.441 108.077 ( -0.583 -0.540 1.554) 1.745 108.911 ( -0.415 2.692 0.052) 2.725 108.963 ( -0.801 0.764 -0.560) 1.241 109.122 ( 1.005 -0.190 -0.070) 1.025 109.368 ( 0.257 -3.563 -2.402) 4.305 ======================= Grid point 75 (33/148) ======================= q-point: ( 0.33 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 18.399 1.752 -3.586) 18.826 1.673 ( 18.943 3.655 5.416) 20.039 1.994 ( -1.038 -3.541 1.896) 4.149 2.237 ( 0.001 -2.147 1.231) 2.474 2.274 ( -0.096 -4.473 3.056) 5.418 2.442 ( -0.383 -0.020 3.394) 3.416 2.975 ( 4.079 11.032 -3.368) 12.235 3.504 ( 1.375 -7.750 -2.483) 8.254 3.960 ( 6.560 10.098 -4.300) 12.786 4.136 ( 5.210 -1.549 -0.347) 5.447 4.538 ( -0.032 -3.822 0.888) 3.924 4.776 ( 11.008 1.781 0.128) 11.152 5.089 ( -8.565 3.785 0.090) 9.364 5.348 ( -13.270 -6.089 -1.434) 14.671 5.931 ( -5.560 -2.718 -0.813) 6.242 6.262 ( -2.341 -2.654 1.246) 3.752 7.493 ( -1.445 3.506 -0.386) 3.811 8.094 ( 2.515 1.045 -2.986) 4.042 8.355 ( -19.150 -1.855 0.031) 19.239 8.646 ( 2.336 -0.453 -0.537) 2.439 8.992 ( -0.103 -0.400 2.415) 2.450 9.247 ( -3.160 1.075 -1.849) 3.816 9.317 ( -3.739 5.214 -0.970) 6.489 10.001 ( -3.773 4.726 -0.689) 6.086 10.437 ( -4.325 -8.372 -2.913) 9.863 10.672 ( -3.658 -4.265 -1.029) 5.712 10.883 ( 6.356 0.360 0.148) 6.368 10.978 ( 4.931 0.157 1.311) 5.105 11.374 ( 6.625 -3.582 2.648) 7.983 11.610 ( -1.377 2.845 4.640) 5.614 11.819 ( -1.869 5.379 -0.807) 5.751 12.262 ( 6.902 -6.328 -3.914) 10.148 12.608 ( 2.797 2.907 -2.885) 4.960 12.862 ( -6.981 -1.742 -1.537) 7.357 13.101 ( 1.418 -2.700 0.546) 3.098 13.405 ( -4.042 -0.577 9.028) 9.908 13.490 ( -2.190 1.819 -0.942) 2.999 13.972 ( -5.028 -16.417 1.937) 17.279 14.744 ( 6.111 -0.814 0.131) 6.167 15.070 ( 6.121 9.632 -0.839) 11.443 15.318 ( 0.856 -4.258 -1.107) 4.482 15.806 ( 3.006 11.236 -0.679) 11.651 16.103 ( -1.166 -3.631 -0.165) 3.817 16.188 ( 5.154 4.950 -0.394) 7.157 17.510 ( 12.346 -1.316 -5.521) 13.588 17.595 ( 2.942 2.460 -6.554) 7.593 17.785 ( 6.811 0.954 -0.138) 6.879 18.127 ( 6.575 -11.948 8.147) 15.886 18.773 ( 2.411 12.416 5.109) 13.640 19.096 ( -8.980 8.901 7.710) 14.809 20.509 ( 2.060 -12.860 -2.127) 13.197 20.792 ( 6.119 0.256 -9.194) 11.046 20.941 ( 4.452 -0.844 -13.809) 14.533 21.111 ( 2.972 -7.882 1.472) 8.551 21.499 ( 3.613 11.618 0.910) 12.201 21.896 ( -6.274 0.448 2.913) 6.932 21.926 ( -4.197 0.162 4.408) 6.089 22.300 ( -14.873 1.653 1.174) 15.011 24.324 ( -1.113 -0.713 -0.670) 1.482 24.450 ( -0.673 -2.040 3.089) 3.762 107.997 ( 0.178 0.311 0.107) 0.374 108.067 ( -0.475 -0.465 0.971) 1.177 108.907 ( -0.092 1.924 0.127) 1.930 108.945 ( -0.816 0.883 -0.626) 1.355 109.145 ( 1.068 -0.255 0.060) 1.100 109.363 ( -0.353 -2.697 -1.850) 3.290 ======================= Grid point 76 (34/148) ======================= q-point: ( 0.44 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( 10.665 1.125 -7.190) 12.911 1.986 ( 8.486 1.169 1.075) 8.633 2.015 ( 2.704 -0.552 0.802) 2.874 2.184 ( -2.418 -1.802 1.457) 3.349 2.278 ( 0.952 -8.038 5.356) 9.706 2.382 ( -5.300 -0.198 6.693) 8.540 3.036 ( 1.601 14.396 -2.303) 14.667 3.510 ( 0.113 -0.788 -0.778) 1.113 4.024 ( 2.760 8.630 -6.793) 11.324 4.224 ( 0.146 -4.195 1.326) 4.402 4.509 ( -1.506 -2.963 0.661) 3.389 4.868 ( -3.685 -1.562 -1.062) 4.141 5.059 ( 2.547 -2.042 1.042) 3.426 5.223 ( 2.657 -2.115 -0.555) 3.441 5.834 ( -2.668 -5.082 -0.869) 5.805 6.255 ( 0.441 -3.180 0.230) 3.219 7.526 ( 4.769 5.658 -0.719) 7.434 7.946 ( -16.261 0.710 -0.131) 16.277 8.153 ( 1.885 4.524 -2.786) 5.638 8.662 ( -0.390 -2.526 -0.181) 2.562 8.991 ( -0.741 0.792 0.142) 1.094 9.200 ( -1.134 0.835 -2.607) 2.963 9.262 ( -1.103 2.832 0.012) 3.039 9.923 ( -2.923 1.884 -0.661) 3.540 10.292 ( -3.542 0.142 -1.359) 3.797 10.761 ( 6.227 -10.687 -0.060) 12.369 10.913 ( -1.760 -6.885 0.376) 7.117 11.098 ( 4.162 3.006 1.607) 5.380 11.490 ( 0.949 2.651 7.388) 7.906 11.589 ( 0.735 -1.169 1.698) 2.189 11.780 ( 0.322 6.433 -0.094) 6.442 12.432 ( 7.333 -6.902 -2.061) 10.279 12.677 ( 3.522 2.733 -2.631) 5.177 12.733 ( -2.380 2.156 -0.721) 3.291 13.045 ( -6.071 -3.814 3.272) 7.881 13.342 ( -2.752 -2.980 5.343) 6.708 13.539 ( 5.399 2.792 -1.225) 6.201 13.849 ( -6.285 -15.399 1.361) 16.688 14.811 ( 0.963 -0.414 -0.866) 1.360 15.172 ( 3.266 14.928 -1.098) 15.320 15.332 ( 0.435 -8.998 -2.377) 9.317 15.870 ( 2.504 13.594 -0.298) 13.826 16.080 ( -0.627 -3.483 -0.477) 3.571 16.268 ( 1.933 4.888 -0.349) 5.268 17.572 ( -2.164 5.174 -11.361) 12.670 17.721 ( 6.131 -5.525 -0.312) 8.259 17.890 ( 2.556 1.887 2.982) 4.357 18.240 ( 3.141 -13.184 4.990) 14.442 18.789 ( -1.291 11.845 2.265) 12.129 18.948 ( -5.334 6.888 7.135) 11.261 20.542 ( 1.115 -9.182 -1.372) 9.351 20.868 ( 2.091 -7.404 -7.451) 10.710 21.024 ( 4.065 -0.011 -9.463) 10.300 21.253 ( 9.494 -7.831 -2.157) 12.494 21.581 ( 3.614 7.179 0.240) 8.041 21.738 ( -8.099 3.665 1.524) 9.019 21.861 ( -2.764 1.288 6.988) 7.625 22.037 ( -9.005 5.463 1.382) 10.623 24.293 ( -1.320 -0.486 -1.711) 2.215 24.455 ( 0.545 -2.129 5.539) 5.959 108.000 ( 0.084 0.219 0.132) 0.269 108.061 ( -0.057 -0.440 0.906) 1.009 108.904 ( -0.212 1.635 -0.119) 1.653 108.932 ( -0.253 0.930 -0.564) 1.117 109.163 ( 0.574 -0.308 0.231) 0.691 109.355 ( -0.194 -2.264 -1.595) 2.776 ======================= Grid point 77 (35/148) ======================= q-point: (-0.44 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( -0.141 0.159 -4.897) 4.902 1.911 ( -10.984 0.152 -0.103) 10.986 2.085 ( -0.693 -0.858 0.089) 1.107 2.176 ( 0.337 -1.003 2.021) 2.282 2.258 ( -4.264 1.373 4.757) 6.535 2.399 ( 7.425 -5.342 8.892) 12.757 3.033 ( -1.446 12.510 -2.354) 12.812 3.512 ( 0.289 0.018 -0.466) 0.549 4.060 ( 0.041 4.211 -4.852) 6.425 4.172 ( -3.672 -1.080 -1.273) 4.034 4.495 ( -0.101 -4.271 0.217) 4.277 4.880 ( 5.031 -0.239 -0.668) 5.081 5.070 ( -2.305 -1.812 1.570) 3.326 5.231 ( -1.439 -2.753 -0.346) 3.126 5.838 ( 2.946 -4.963 -0.689) 5.813 6.252 ( -0.821 -3.134 0.084) 3.241 7.547 ( -4.663 5.402 0.105) 7.137 7.895 ( 13.793 1.238 -2.093) 14.006 8.169 ( -0.397 4.980 -2.232) 5.472 8.650 ( -0.693 -2.302 -0.601) 2.478 8.950 ( -2.610 1.575 -1.658) 3.471 9.192 ( 0.513 0.067 -2.322) 2.379 9.274 ( 2.026 2.815 0.484) 3.502 9.914 ( 1.974 1.931 -1.117) 2.978 10.343 ( 8.371 -0.356 0.226) 8.381 10.771 ( -5.406 -11.102 0.334) 12.353 10.923 ( 2.707 -6.754 0.834) 7.324 11.079 ( -5.780 3.140 0.932) 6.643 11.467 ( -2.775 4.278 4.429) 6.754 11.583 ( -2.336 1.047 1.648) 3.044 11.867 ( 7.162 3.428 5.167) 9.473 12.479 ( -2.831 -8.708 -0.549) 9.173 12.736 ( 5.695 2.416 -0.028) 6.186 12.848 ( 9.023 1.850 -3.372) 9.809 12.931 ( -3.602 -0.231 6.468) 7.407 13.311 ( -0.697 -6.174 4.099) 7.443 13.562 ( -4.670 4.524 -1.007) 6.580 13.813 ( 4.615 -14.086 0.701) 14.839 14.797 ( -2.182 -1.229 -1.646) 2.997 15.188 ( -1.911 17.073 -0.237) 17.181 15.331 ( -0.159 -11.533 -2.814) 11.872 15.887 ( -1.107 13.901 0.310) 13.949 16.075 ( 0.114 -3.953 -0.771) 4.029 16.261 ( -2.521 4.848 -0.698) 5.509 17.475 ( -6.224 6.059 -14.418) 16.833 17.780 ( -0.957 -4.660 1.080) 4.878 17.860 ( -5.742 -0.590 4.295) 7.195 18.258 ( -1.525 -13.032 3.420) 13.559 18.759 ( -1.701 11.453 -0.410) 11.586 18.884 ( -0.666 6.892 5.749) 9.000 20.550 ( -0.289 -8.408 -1.268) 8.508 20.890 ( 0.736 -10.789 -6.063) 12.397 21.064 ( -0.245 0.776 -6.455) 6.506 21.428 ( 4.142 -4.903 1.319) 6.552 21.585 ( -1.226 1.293 -0.659) 1.899 21.646 ( 0.180 5.196 2.104) 5.609 21.816 ( -0.723 5.301 4.307) 6.868 22.001 ( 4.715 5.263 -0.154) 7.068 24.282 ( 0.589 -0.281 -2.253) 2.346 24.472 ( 0.538 -2.287 6.331) 6.753 108.000 ( -0.135 0.204 0.124) 0.274 108.070 ( 0.812 -0.578 1.215) 1.572 108.898 ( -0.307 1.752 -0.417) 1.827 108.935 ( 0.480 0.864 -0.423) 1.075 109.167 ( -0.228 -0.312 0.413) 0.566 109.352 ( -0.064 -2.176 -1.752) 2.794 ======================= Grid point 78 (36/148) ======================= q-point: (-0.33 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( -17.098 1.226 0.624) 17.153 1.697 ( -11.546 3.586 6.492) 13.723 1.977 ( -3.462 -2.439 3.796) 5.687 2.187 ( -5.330 3.055 1.796) 6.400 2.210 ( 0.624 0.203 -2.159) 2.257 2.528 ( 3.477 -3.372 6.548) 8.145 2.989 ( -2.179 6.713 -2.853) 7.613 3.536 ( 2.210 -6.165 0.249) 6.554 3.937 ( -12.251 -5.251 -4.870) 14.190 4.140 ( 0.812 11.915 -1.071) 11.991 4.486 ( -1.402 -7.700 -0.939) 7.883 4.803 ( -11.897 2.654 0.748) 12.213 5.092 ( 8.858 4.423 0.366) 9.908 5.385 ( 14.134 -5.849 0.020) 15.297 5.932 ( 5.216 -2.920 -0.835) 6.036 6.242 ( 1.148 -2.180 0.474) 2.509 7.503 ( 1.051 3.796 -0.139) 3.942 8.121 ( -1.630 1.172 -1.990) 2.827 8.296 ( 19.482 0.239 -2.169) 19.604 8.609 ( -3.459 -0.614 -1.871) 3.980 8.918 ( 0.289 0.968 -0.840) 1.314 9.220 ( 2.354 0.278 -2.198) 3.232 9.336 ( 3.634 4.700 0.206) 5.944 9.974 ( 3.441 4.533 -1.851) 5.985 10.561 ( 3.260 -11.633 1.444) 12.167 10.679 ( 4.663 -3.498 -0.531) 5.853 10.898 ( -8.281 4.159 0.755) 9.297 10.955 ( -2.035 -2.611 0.354) 3.329 11.366 ( -4.953 -1.518 1.604) 5.423 11.558 ( -0.209 6.132 1.313) 6.275 11.991 ( 1.760 4.546 7.795) 9.194 12.382 ( -4.456 -12.325 -0.419) 13.112 12.870 ( 2.400 3.210 2.267) 4.605 12.918 ( 5.448 4.396 3.993) 8.059 13.009 ( 1.860 -3.160 -3.212) 4.874 13.327 ( 5.030 -8.124 8.558) 12.827 13.503 ( 1.661 2.807 -0.325) 3.278 13.955 ( 7.804 -9.898 3.377) 13.049 14.708 ( -6.551 -2.843 -1.933) 7.398 15.095 ( -6.631 9.851 0.147) 11.876 15.324 ( -0.375 -5.142 -1.459) 5.358 15.835 ( -3.239 11.888 0.288) 12.325 16.077 ( -0.264 -5.426 -1.896) 5.753 16.166 ( -6.139 5.010 -1.537) 8.072 17.282 ( -11.231 7.445 -19.960) 24.083 17.600 ( -14.587 1.829 3.291) 15.065 17.772 ( -3.719 -6.035 2.927) 7.669 18.198 ( -4.004 -12.690 3.662) 13.802 18.668 ( -6.391 9.468 -0.202) 11.425 18.973 ( 7.856 9.070 3.308) 12.447 20.526 ( -1.788 -9.379 -1.928) 9.741 20.857 ( -4.590 -10.455 -6.971) 13.378 21.036 ( -0.111 2.530 -0.975) 2.713 21.387 ( -3.757 6.531 5.104) 9.100 21.661 ( 1.538 4.135 2.023) 4.854 21.690 ( 6.697 -4.500 2.846) 8.556 21.867 ( 4.781 2.221 -0.307) 5.281 22.148 ( 8.261 3.485 -5.441) 10.487 24.310 ( 2.014 -0.506 -2.636) 3.356 24.487 ( 0.409 -2.321 5.908) 6.361 107.996 ( -0.170 0.269 0.135) 0.346 108.097 ( 1.653 -1.032 2.014) 2.803 108.894 ( 0.091 2.236 -0.439) 2.281 108.948 ( 0.784 0.773 -0.427) 1.181 109.155 ( -0.858 -0.277 0.552) 1.057 109.345 ( -0.547 -2.351 -2.579) 3.532 ======================= Grid point 79 (37/148) ======================= q-point: (-0.22 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( -18.819 8.311 3.925) 20.943 1.372 ( -19.009 4.914 16.602) 25.712 1.936 ( -20.455 9.874 4.806) 23.216 1.990 ( 2.847 -3.229 0.066) 4.305 2.199 ( -0.994 0.949 -3.008) 3.307 2.541 ( -2.556 -4.387 6.318) 8.105 2.955 ( -0.531 0.413 -3.475) 3.540 3.551 ( -10.608 -6.665 0.401) 12.534 3.642 ( -3.815 -10.513 -3.919) 11.850 4.158 ( -1.426 6.981 -1.803) 7.349 4.449 ( 1.876 -3.407 -1.820) 4.294 4.691 ( 0.356 5.069 -0.485) 5.104 5.279 ( 8.568 6.348 0.082) 10.664 5.711 ( 15.052 -2.438 0.629) 15.261 6.026 ( 4.049 -0.092 -0.448) 4.074 6.330 ( 6.462 -0.295 0.339) 6.478 7.569 ( 4.670 1.940 -0.234) 5.063 8.076 ( -1.860 -2.828 -1.543) 3.720 8.477 ( -4.503 -3.941 -2.347) 6.428 8.697 ( 14.157 0.141 -2.327) 14.347 8.956 ( 2.985 -3.691 1.282) 4.918 9.274 ( 2.109 -0.166 -1.867) 2.822 9.406 ( 2.527 7.668 -0.333) 8.080 10.037 ( 1.874 7.503 -1.936) 7.972 10.518 ( 0.237 -6.887 1.086) 6.976 10.644 ( -9.890 3.100 0.246) 10.368 10.798 ( -6.163 -3.489 0.872) 7.136 11.059 ( 12.026 -2.400 -2.310) 12.479 11.349 ( 3.836 -2.869 0.243) 4.797 11.553 ( -0.696 4.433 -0.087) 4.488 11.945 ( -4.265 8.441 6.584) 11.524 12.318 ( -2.569 -11.760 -0.599) 12.053 12.772 ( -11.057 6.786 0.287) 12.977 12.952 ( -0.192 -3.216 1.713) 3.648 13.115 ( 7.391 2.770 1.212) 7.986 13.544 ( 9.268 -7.870 6.138) 13.620 13.647 ( 13.801 -5.598 7.591) 16.716 14.134 ( 8.732 -7.968 9.537) 15.189 14.525 ( -10.131 -4.645 0.024) 11.145 14.924 ( -9.878 4.279 -0.671) 10.786 15.311 ( -0.788 -0.370 0.156) 0.884 15.782 ( -1.707 5.353 -0.356) 5.630 15.981 ( -8.329 3.683 -7.287) 11.664 16.084 ( -1.787 -4.890 -1.211) 5.345 16.985 ( -14.860 11.300 -24.538) 30.833 17.260 ( -17.479 3.667 1.766) 17.947 17.667 ( -6.791 -4.031 2.964) 8.435 18.118 ( -3.761 -14.502 6.116) 16.182 18.536 ( -5.476 7.760 1.098) 9.561 19.177 ( 11.406 12.753 0.636) 17.122 20.485 ( -1.654 -8.855 -2.574) 9.369 20.718 ( -6.857 -8.375 -4.324) 11.656 21.073 ( 3.128 5.056 -0.357) 5.956 21.334 ( -1.855 7.391 4.344) 8.771 21.683 ( 0.452 6.872 -0.161) 6.889 21.835 ( 6.551 -3.857 11.619) 13.885 21.979 ( 5.392 -2.477 -4.266) 7.308 22.292 ( 5.420 1.261 -11.411) 12.695 24.345 ( 1.077 -1.405 -2.785) 3.300 24.499 ( 0.362 -2.453 4.303) 4.967 107.994 ( -0.095 0.335 0.195) 0.399 108.140 ( 2.279 -2.228 3.442) 4.691 108.904 ( 1.020 3.310 -0.351) 3.481 108.964 ( 0.771 0.704 -0.448) 1.136 109.135 ( -1.062 -0.244 0.550) 1.220 109.317 ( -2.188 -2.565 -4.186) 5.375 ======================= Grid point 80 (38/148) ======================= q-point: (-0.11 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( -12.313 17.401 9.362) 23.282 0.979 ( -19.494 7.108 20.274) 29.009 1.391 ( -28.618 18.461 14.714) 37.098 2.054 ( 2.718 -1.914 0.131) 3.327 2.186 ( 0.281 1.949 -2.936) 3.535 2.454 ( -5.541 -5.500 6.648) 10.254 2.952 ( -0.039 -1.142 -5.136) 5.261 3.231 ( -14.511 -5.523 -4.955) 16.298 3.686 ( 2.234 -11.421 -0.702) 11.659 4.083 ( -2.471 -12.684 -3.628) 13.422 4.609 ( 10.385 10.358 -0.572) 14.679 4.734 ( 2.833 5.947 -1.419) 6.738 5.432 ( 5.724 10.141 0.171) 11.646 5.946 ( 6.775 0.588 1.034) 6.879 6.105 ( 3.285 2.312 0.131) 4.019 6.462 ( 5.383 -0.058 0.115) 5.385 7.668 ( 4.183 2.276 -0.338) 4.775 8.052 ( -0.421 -6.519 -1.418) 6.685 8.398 ( -1.864 -9.603 -1.711) 9.931 8.916 ( 6.622 2.191 -1.666) 7.171 9.051 ( 6.003 -10.144 2.506) 12.050 9.257 ( -3.781 -4.858 -0.063) 6.157 9.441 ( 1.380 9.437 -1.299) 9.625 10.007 ( -4.495 10.016 -0.634) 10.997 10.467 ( -4.900 0.433 -0.263) 4.926 10.578 ( -1.544 -3.038 1.031) 3.560 10.753 ( 7.742 4.496 -0.585) 8.972 11.211 ( 2.799 -4.386 -0.783) 5.262 11.435 ( -1.344 2.433 -1.004) 2.955 11.556 ( 3.928 -1.151 -3.187) 5.188 11.939 ( 4.305 5.192 6.161) 9.135 12.241 ( -4.672 -3.905 -2.370) 6.534 12.574 ( -5.643 4.933 0.618) 7.520 12.878 ( -7.802 -0.614 3.048) 8.399 13.237 ( 4.006 1.190 0.883) 4.271 13.695 ( 5.516 -6.410 2.926) 8.948 13.926 ( 3.734 -19.543 6.337) 20.881 14.205 ( -3.760 -6.646 2.626) 8.074 14.479 ( 9.537 -5.267 19.641) 22.461 14.649 ( -18.088 -1.986 -6.015) 19.165 15.302 ( 0.018 -0.285 2.064) 2.083 15.693 ( -6.559 2.746 -6.690) 9.763 15.866 ( -1.187 -1.295 -7.872) 8.066 16.023 ( -2.625 1.911 -1.825) 3.725 16.709 ( -7.091 16.750 -17.139) 24.992 16.913 ( -14.925 7.117 0.758) 16.552 17.505 ( -8.159 -1.214 1.355) 8.360 18.057 ( -2.918 -18.557 10.234) 21.392 18.468 ( -0.960 6.307 3.440) 7.249 19.455 ( 15.498 17.086 -5.460) 23.705 20.465 ( -0.019 -8.999 -2.859) 9.443 20.610 ( -2.328 -5.439 -5.359) 7.983 21.150 ( 3.933 12.627 -2.210) 13.409 21.308 ( -1.012 4.346 4.578) 6.393 21.672 ( -2.505 8.687 -5.075) 10.368 21.916 ( -3.745 -4.789 4.792) 7.741 22.077 ( 4.969 -3.919 -2.352) 6.751 22.374 ( 6.858 0.252 -4.609) 8.267 24.328 ( -2.991 -2.611 -1.968) 4.432 24.503 ( -0.387 -2.447 1.793) 3.058 107.992 ( -0.072 0.354 0.257) 0.443 108.188 ( 1.385 -5.402 4.948) 7.456 108.948 ( 3.603 5.284 -1.119) 6.493 108.978 ( 0.525 0.743 -0.481) 1.030 109.115 ( -0.827 -0.223 0.379) 0.937 109.237 ( -5.140 -1.736 -4.906) 7.315 ======================= Grid point 81 (39/148) ======================= q-point: ( 0.00 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( -6.825 13.092 22.946) 27.286 1.086 ( -4.226 23.444 7.258) 24.903 1.694 ( 3.515 29.453 6.892) 30.452 1.989 ( -0.039 -10.271 5.069) 11.454 2.113 ( -0.247 -7.470 1.988) 7.734 2.403 ( -0.628 6.459 1.403) 6.639 2.834 ( -3.286 -6.640 -5.765) 9.388 2.944 ( -1.017 -4.001 -5.352) 6.759 3.504 ( -1.346 -8.722 -3.637) 9.546 3.781 ( 6.843 -16.629 0.611) 17.992 4.857 ( -2.348 6.383 -3.140) 7.491 4.909 ( 0.196 4.560 -2.515) 5.211 5.765 ( -0.804 14.383 0.571) 14.417 6.052 ( 0.009 2.443 1.178) 2.712 6.239 ( 0.526 5.738 0.791) 5.816 6.505 ( 0.436 -2.089 1.106) 2.403 7.768 ( -1.019 0.682 -0.832) 1.481 7.867 ( -0.301 -9.221 -0.670) 9.250 8.205 ( 1.775 -3.996 -1.061) 4.499 8.871 ( -2.069 -11.963 -0.444) 12.149 8.988 ( 1.673 -5.193 2.648) 6.064 9.014 ( 0.598 -9.788 0.005) 9.806 9.664 ( -0.113 11.617 -3.508) 12.136 10.091 ( 0.749 2.526 -1.372) 2.970 10.467 ( 0.677 5.216 -0.359) 5.272 10.603 ( -1.464 9.354 0.575) 9.485 11.049 ( 1.956 -9.759 -3.194) 10.453 11.114 ( -2.745 9.847 -0.067) 10.222 11.337 ( 1.361 -5.634 0.814) 5.853 11.626 ( 0.326 -3.600 -1.345) 3.857 11.974 ( -10.016 5.557 -2.334) 11.690 12.250 ( 5.052 0.649 -0.458) 5.115 12.634 ( -3.297 4.623 4.814) 7.444 12.724 ( -1.276 0.168 2.492) 2.805 13.250 ( -0.606 -5.618 8.024) 9.814 13.298 ( -1.959 -8.388 2.827) 9.066 13.850 ( -0.345 2.758 0.020) 2.779 14.072 ( -10.625 -3.487 -4.662) 12.115 14.314 ( -3.204 0.916 -1.397) 3.613 14.582 ( 9.793 -8.295 10.153) 16.365 15.253 ( -1.292 -1.007 1.384) 2.145 15.504 ( -0.395 -8.949 0.130) 8.959 15.994 ( 3.726 7.898 -5.741) 10.451 16.177 ( 3.959 2.007 3.007) 5.361 16.828 ( -1.768 12.225 -5.628) 13.574 17.025 ( 5.170 7.675 -2.191) 9.510 17.408 ( -1.212 1.560 0.211) 1.987 17.757 ( -0.798 -9.792 6.748) 11.918 18.684 ( 3.771 13.047 6.808) 15.192 19.744 ( 5.302 -11.760 1.845) 13.031 20.230 ( -0.501 -3.270 -3.066) 4.511 20.589 ( 4.223 -6.563 -14.622) 16.574 21.302 ( -10.037 5.332 -8.831) 14.393 21.426 ( -15.679 5.256 -10.493) 19.585 21.634 ( 3.883 11.401 6.533) 13.702 21.904 ( 0.849 5.840 2.991) 6.616 22.077 ( 2.634 -3.585 0.225) 4.454 22.510 ( 9.052 -8.637 2.540) 12.766 24.264 ( -0.142 1.441 0.938) 1.726 24.438 ( -0.625 -3.198 -0.060) 3.259 108.004 ( -0.050 0.948 0.327) 1.004 108.094 ( -1.264 -2.432 3.083) 4.125 108.997 ( 0.030 1.015 -0.347) 1.073 109.048 ( -1.305 0.606 -2.162) 2.598 109.111 ( -0.581 1.000 -1.148) 1.630 109.181 ( 2.820 -1.199 -0.224) 3.072 ======================= Grid point 82 (40/148) ======================= q-point: ( 0.11 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( 3.651 14.275 15.318) 21.255 1.142 ( 9.492 18.440 7.430) 22.030 1.897 ( 6.835 -1.077 2.117) 7.236 2.026 ( 5.820 7.175 5.914) 10.969 2.114 ( 1.938 -6.776 3.797) 8.005 2.407 ( 0.903 6.277 1.738) 6.575 2.817 ( 3.831 -3.309 -6.850) 8.518 3.044 ( 9.510 -2.983 -7.386) 12.405 3.489 ( 1.426 -6.325 -1.303) 6.614 3.989 ( 12.044 -14.957 3.420) 19.505 4.714 ( -10.795 8.887 -3.947) 14.529 4.836 ( -5.305 3.079 -2.622) 6.671 5.638 ( -9.910 11.606 -0.330) 15.265 5.949 ( -10.540 0.922 0.481) 10.591 6.188 ( -5.126 4.371 1.238) 6.850 6.460 ( -5.014 -2.793 1.679) 5.980 7.694 ( -4.917 1.591 -0.863) 5.240 7.898 ( 3.316 -7.135 -1.378) 7.987 8.308 ( 7.424 -3.674 -0.511) 8.299 8.750 ( -7.833 -13.291 -0.729) 15.444 8.972 ( 0.961 -2.935 1.793) 3.571 9.165 ( 7.260 -6.140 1.080) 9.569 9.659 ( -0.704 11.874 -4.041) 12.562 10.190 ( 6.504 2.655 -1.336) 7.151 10.524 ( -6.428 8.296 -1.228) 10.566 10.535 ( 6.224 4.093 0.680) 7.480 10.834 ( -10.560 0.833 0.127) 10.593 11.143 ( -0.802 -2.624 0.183) 2.750 11.401 ( -15.110 -5.234 -2.423) 16.174 11.437 ( 2.621 -11.188 -0.805) 11.519 11.887 ( 2.749 12.426 -3.197) 13.122 12.331 ( -3.868 2.912 2.395) 5.401 12.513 ( 1.195 0.804 -2.511) 2.895 12.766 ( -0.746 -3.725 3.721) 5.318 13.276 ( -0.671 -1.306 4.240) 4.487 13.347 ( 6.760 -4.423 3.973) 9.003 13.770 ( -8.939 1.383 -1.840) 9.231 13.858 ( -5.024 -5.713 -2.748) 8.089 14.351 ( 6.041 2.246 1.159) 6.549 14.771 ( 7.415 -8.241 4.807) 12.084 15.264 ( 2.425 0.926 0.161) 2.600 15.582 ( 6.589 -9.055 0.015) 11.199 16.064 ( 3.678 8.377 -2.016) 9.369 16.242 ( 0.566 0.879 4.089) 4.221 16.944 ( 12.650 10.504 -6.790) 17.789 17.238 ( 13.787 2.775 -3.946) 14.606 17.440 ( 4.346 0.409 0.992) 4.477 17.761 ( 0.758 -9.176 6.942) 11.532 18.802 ( 6.300 12.864 9.843) 17.380 19.762 ( -4.765 -6.452 5.800) 9.899 20.211 ( -0.989 -2.918 -3.479) 4.647 20.663 ( 3.649 -8.576 -13.200) 16.159 20.923 ( -15.369 12.092 -13.496) 23.761 21.213 ( -7.348 0.154 -4.434) 8.584 21.713 ( 1.725 15.180 2.169) 15.431 21.929 ( 1.043 1.188 5.381) 5.608 22.091 ( -1.040 -0.835 0.123) 1.340 22.616 ( -0.486 -11.365 1.810) 11.519 24.296 ( 2.160 0.462 0.250) 2.223 24.425 ( -0.464 -3.009 -0.325) 3.062 108.004 ( 0.037 0.897 0.198) 0.920 108.073 ( -0.803 -1.263 2.102) 2.580 108.993 ( -0.394 1.115 -0.342) 1.231 109.002 ( -2.062 2.675 -1.279) 3.611 109.107 ( 0.345 0.423 -0.340) 0.643 109.251 ( 2.803 -4.043 -1.193) 5.062 ======================= Grid point 83 (41/148) ======================= q-point: ( 0.22 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 13.795 10.042 3.220) 17.364 1.421 ( 15.369 10.476 8.342) 20.385 1.906 ( -1.891 -11.109 1.718) 11.399 2.087 ( 1.358 -9.127 1.891) 9.419 2.251 ( 4.065 5.665 0.474) 6.989 2.444 ( 1.723 3.134 2.967) 4.647 2.992 ( 12.168 6.797 -4.579) 14.671 3.257 ( 9.093 -4.416 -7.483) 12.577 3.632 ( 13.952 -2.191 2.727) 14.384 4.247 ( 10.325 -13.034 2.272) 16.783 4.473 ( -9.139 12.224 -3.156) 15.585 4.734 ( -3.323 0.926 -2.364) 4.181 5.397 ( -12.494 6.890 -0.934) 14.299 5.635 ( -18.383 -1.196 -0.704) 18.435 6.053 ( -7.554 1.421 0.879) 7.737 6.310 ( -8.468 -4.476 2.082) 9.802 7.612 ( -2.240 4.883 -0.671) 5.414 7.992 ( 5.493 -3.309 -2.002) 6.718 8.460 ( 4.357 -4.364 -0.697) 6.206 8.587 ( -6.416 -9.209 -0.873) 11.258 8.992 ( 0.486 0.926 2.371) 2.591 9.263 ( 1.203 -4.076 0.454) 4.274 9.609 ( -3.982 12.967 -3.696) 14.059 10.241 ( -2.284 3.630 -0.834) 4.369 10.344 ( -8.522 2.435 -2.367) 9.174 10.717 ( 9.392 2.636 0.823) 9.790 10.739 ( -1.719 -3.018 0.813) 3.567 11.018 ( -10.756 -2.051 -2.599) 11.254 11.180 ( 1.659 -5.006 0.305) 5.282 11.514 ( 2.464 -11.888 1.941) 12.295 11.985 ( 4.707 12.543 -2.216) 13.579 12.186 ( -5.700 3.181 0.854) 6.583 12.583 ( 2.081 -1.378 -3.613) 4.391 12.755 ( 1.108 -7.946 -0.604) 8.046 13.226 ( -4.812 4.960 2.951) 7.515 13.427 ( 0.090 -2.693 6.457) 6.996 13.599 ( -6.770 -0.140 -1.223) 6.882 13.772 ( -3.323 -11.122 -1.811) 11.748 14.551 ( 11.259 1.699 1.280) 11.458 14.906 ( 5.754 -7.821 1.126) 9.775 15.342 ( 4.558 5.363 -0.374) 7.049 15.721 ( 5.975 -7.432 -0.129) 9.537 16.165 ( 5.560 9.733 -1.267) 11.281 16.238 ( 0.493 6.153 2.913) 6.825 17.237 ( 13.948 3.992 -5.514) 15.520 17.497 ( 9.513 -0.291 -6.850) 11.726 17.598 ( 10.615 -0.224 2.986) 11.029 17.804 ( 2.961 -9.447 6.865) 12.047 18.933 ( 4.999 12.938 10.316) 17.286 19.562 ( -13.078 7.071 6.069) 16.058 20.212 ( 1.803 -7.916 -2.750) 8.572 20.716 ( 2.520 -10.966 -7.013) 13.258 20.779 ( 0.278 6.484 -11.616) 13.305 21.077 ( -4.465 -2.002 -8.319) 9.651 21.725 ( -0.113 14.065 1.417) 14.137 21.938 ( -0.851 -0.548 6.829) 6.904 22.041 ( -3.653 1.247 0.111) 3.862 22.511 ( -8.506 -6.806 1.598) 11.011 24.321 ( 0.224 -0.255 0.008) 0.340 24.415 ( -0.677 -3.088 0.321) 3.178 108.005 ( 0.055 0.770 0.181) 0.793 108.063 ( -0.442 -0.930 1.196) 1.578 108.969 ( -1.112 2.922 -0.383) 3.150 108.982 ( -0.669 1.184 -0.430) 1.426 109.121 ( 0.926 0.217 -0.213) 0.974 109.287 ( 0.900 -4.534 -1.449) 4.845 ======================= Grid point 84 (42/148) ======================= q-point: ( 0.33 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 16.042 4.827 -3.948) 17.212 1.758 ( 15.721 5.017 8.266) 18.457 1.885 ( 0.571 -7.875 1.596) 8.055 2.117 ( 0.951 -7.954 1.650) 8.179 2.258 ( -2.217 1.935 -0.609) 3.005 2.444 ( -2.045 -0.624 2.779) 3.506 3.218 ( 8.149 12.668 -4.112) 15.614 3.402 ( 7.066 -2.591 -4.049) 8.546 3.978 ( 13.988 -3.717 3.735) 14.947 4.227 ( -5.151 4.891 -6.300) 9.495 4.490 ( 2.344 0.420 3.083) 3.896 4.767 ( 7.587 -2.597 -1.517) 8.161 5.145 ( -11.158 0.462 -1.006) 11.213 5.260 ( -14.829 -1.410 -1.111) 14.938 5.885 ( -8.068 -0.945 -0.138) 8.124 6.179 ( -3.238 -5.815 1.212) 6.765 7.603 ( 1.305 8.010 -0.345) 8.123 8.112 ( 5.958 -0.711 -2.179) 6.383 8.298 ( -14.416 -2.540 -0.425) 14.644 8.601 ( 1.411 -4.601 -0.760) 4.872 9.003 ( 0.651 1.959 1.845) 2.769 9.228 ( -3.242 -2.484 -0.576) 4.125 9.498 ( -5.602 12.310 -2.485) 13.751 10.134 ( -8.233 8.658 0.041) 11.948 10.236 ( -0.718 -11.548 -2.127) 11.764 10.607 ( -6.218 -3.789 -1.177) 7.376 10.819 ( 0.073 -3.133 -0.634) 3.198 11.011 ( 5.609 1.056 1.014) 5.797 11.334 ( 11.200 -1.062 2.626) 11.552 11.545 ( 0.624 -8.163 3.390) 8.861 11.982 ( -3.092 10.061 -0.173) 10.527 12.204 ( 5.611 0.642 -1.254) 5.785 12.619 ( 2.777 -1.646 -2.606) 4.148 12.779 ( 0.222 -6.697 -3.018) 7.349 13.092 ( -7.441 2.027 3.011) 8.279 13.388 ( -4.696 -2.654 6.745) 8.637 13.492 ( -2.174 -0.774 -1.487) 2.745 13.722 ( -1.748 -8.208 -0.769) 8.427 14.747 ( 6.636 1.096 0.003) 6.726 15.023 ( 5.418 -7.918 -1.554) 9.719 15.430 ( 3.539 8.896 -0.348) 9.580 15.818 ( 3.394 -6.837 -0.188) 7.636 16.228 ( 2.080 13.620 0.482) 13.786 16.329 ( 5.857 9.010 0.029) 10.747 17.471 ( 8.678 -2.583 -3.106) 9.572 17.635 ( 4.598 0.948 -5.178) 6.989 17.807 ( 8.061 0.906 2.261) 8.422 17.892 ( 4.573 -11.172 5.301) 13.184 19.014 ( 2.011 12.479 7.393) 14.644 19.300 ( -11.656 10.309 5.654) 16.556 20.275 ( 3.989 -9.770 -2.130) 10.766 20.709 ( -2.611 -13.509 -5.411) 14.784 20.866 ( 7.602 1.271 -6.872) 10.326 21.049 ( 2.578 -1.688 -10.572) 11.012 21.722 ( -0.279 10.249 1.135) 10.315 21.911 ( -1.971 -0.037 6.932) 7.207 21.945 ( -5.326 3.615 0.367) 6.447 22.309 ( -10.217 -1.344 1.918) 10.482 24.311 ( -1.064 -0.424 -0.477) 1.241 24.401 ( -0.563 -2.922 2.362) 3.799 108.006 ( 0.049 0.615 0.198) 0.648 108.055 ( -0.390 -0.804 0.802) 1.200 108.952 ( -0.540 2.521 -0.163) 2.583 108.967 ( -0.717 1.320 -0.479) 1.577 109.141 ( 0.993 0.091 -0.074) 1.000 109.295 ( 0.206 -4.071 -1.362) 4.298 ======================= Grid point 85 (43/148) ======================= q-point: ( 0.44 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 9.979 2.023 -6.989) 12.350 1.920 ( 2.961 -4.700 0.297) 5.562 2.078 ( 12.473 0.821 7.949) 14.814 2.109 ( -1.933 -3.377 1.571) 4.196 2.191 ( -2.959 -0.017 1.846) 3.488 2.374 ( -4.667 -0.927 4.592) 6.613 3.303 ( 0.978 11.343 -2.864) 11.740 3.552 ( 6.133 5.937 -4.036) 9.442 4.055 ( -4.494 -7.630 1.146) 8.929 4.226 ( 3.549 4.797 -5.796) 8.319 4.487 ( -1.504 2.859 2.683) 4.199 4.834 ( -1.815 -1.880 -1.389) 2.959 4.965 ( -4.388 -6.203 -0.901) 7.652 5.175 ( 3.538 -5.102 0.227) 6.213 5.768 ( -2.288 0.150 -0.621) 2.375 6.162 ( 0.369 -6.415 -0.237) 6.430 7.669 ( 5.272 8.696 -0.398) 10.177 7.969 ( -14.268 1.189 -0.331) 14.321 8.233 ( 4.437 3.546 -1.932) 5.999 8.580 ( -2.120 -6.017 0.269) 6.385 9.016 ( -0.004 1.757 -0.351) 1.792 9.172 ( -1.631 -2.799 -1.255) 3.474 9.410 ( -2.192 11.646 -1.344) 11.926 9.983 ( -4.410 4.152 -0.322) 6.066 10.245 ( 1.025 -6.131 -0.272) 6.222 10.568 ( 0.779 -9.605 -0.234) 9.640 10.790 ( -1.298 -3.299 -0.168) 3.550 11.095 ( 1.858 -3.511 1.774) 4.351 11.541 ( 5.784 1.853 4.392) 7.495 11.561 ( 1.197 -0.564 2.928) 3.213 11.942 ( -0.345 9.463 0.404) 9.478 12.318 ( 4.348 -4.862 -0.665) 6.557 12.681 ( 2.422 -1.743 -1.809) 3.489 12.774 ( 0.873 1.188 -1.684) 2.238 12.968 ( -3.491 -3.298 2.428) 5.382 13.262 ( -6.575 -7.009 5.393) 11.020 13.516 ( 3.597 -2.136 -0.176) 4.188 13.682 ( -2.211 -2.114 -1.233) 3.298 14.821 ( 0.923 1.372 -1.459) 2.205 15.110 ( 2.603 -9.023 -3.327) 9.963 15.481 ( 1.370 11.142 -0.255) 11.229 15.864 ( 1.188 -7.072 -0.119) 7.173 16.276 ( 1.937 16.858 0.558) 16.978 16.415 ( 2.042 10.036 -0.243) 10.245 17.593 ( 3.181 -6.176 0.894) 7.005 17.677 ( 0.117 3.151 -8.538) 9.101 17.914 ( 1.470 -0.015 4.929) 5.144 17.978 ( 2.943 -12.274 2.174) 12.808 19.021 ( -1.740 11.602 3.040) 12.120 19.112 ( -6.314 9.437 4.862) 12.352 20.350 ( 2.757 -9.306 -1.249) 9.786 20.650 ( -1.841 -14.451 -4.152) 15.147 21.016 ( 6.104 0.262 -7.014) 9.302 21.150 ( 7.536 -3.637 -6.251) 10.445 21.705 ( -1.767 5.189 0.698) 5.526 21.815 ( -5.852 2.482 -0.396) 6.369 21.909 ( 0.617 5.288 6.898) 8.713 22.128 ( -6.302 3.005 1.940) 7.246 24.286 ( -0.959 -0.038 -1.030) 1.408 24.401 ( 0.295 -3.249 4.176) 5.299 108.007 ( 0.010 0.483 0.189) 0.519 108.050 ( -0.081 -0.748 0.729) 1.047 108.944 ( -0.285 2.263 -0.269) 2.297 108.955 ( -0.281 1.357 -0.472) 1.464 109.158 ( 0.541 0.005 0.097) 0.550 109.297 ( 0.063 -3.631 -1.222) 3.832 ======================= Grid point 86 (44/148) ======================= q-point: (-0.44 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( -1.513 1.280 -5.044) 5.420 1.894 ( -6.814 -1.795 1.081) 7.129 2.072 ( -3.733 -0.840 3.481) 5.173 2.151 ( 2.165 -2.303 0.596) 3.217 2.264 ( -2.028 -0.037 8.336) 8.580 2.340 ( 7.096 -0.549 5.138) 8.778 3.278 ( -2.867 11.171 -3.612) 12.086 3.585 ( -3.311 9.070 -2.485) 9.970 3.934 ( -6.003 -12.179 -3.273) 13.967 4.285 ( 2.358 1.517 -5.393) 6.078 4.446 ( -2.368 4.831 2.725) 6.031 4.872 ( 5.100 -0.471 -0.224) 5.127 4.984 ( 6.080 -5.703 0.015) 8.336 5.165 ( -3.990 -6.093 -0.340) 7.292 5.775 ( 2.528 0.283 -0.287) 2.560 6.162 ( -0.526 -6.263 -0.302) 6.292 7.685 ( -5.402 8.411 0.189) 9.998 7.929 ( 12.802 1.931 -1.912) 13.087 8.256 ( -2.492 3.539 -1.114) 4.470 8.572 ( 1.272 -5.843 0.095) 5.980 8.992 ( -1.969 2.584 -0.993) 3.397 9.162 ( 0.823 -2.719 -1.795) 3.360 9.412 ( 2.409 11.394 -1.110) 11.698 9.981 ( 4.015 5.053 -0.442) 6.469 10.279 ( 1.832 -7.790 0.781) 8.041 10.560 ( -0.887 -10.525 -0.545) 10.577 10.813 ( 3.110 -2.426 0.807) 4.026 11.096 ( -1.996 -1.989 1.564) 3.223 11.526 ( -6.380 1.580 1.821) 6.821 11.592 ( 0.317 0.258 5.701) 5.716 11.975 ( 3.454 7.367 2.024) 8.385 12.341 ( -2.354 -5.407 0.313) 5.905 12.753 ( 5.581 -3.299 -0.133) 6.485 12.825 ( 3.690 1.733 1.238) 4.260 12.947 ( -0.132 -1.964 1.155) 2.282 13.178 ( -0.635 -6.758 3.195) 7.502 13.584 ( -0.348 -2.825 2.025) 3.493 13.660 ( 3.492 0.218 -1.262) 3.720 14.796 ( -3.053 0.938 -2.639) 4.143 15.110 ( -2.458 -10.441 -3.466) 11.272 15.485 ( -0.986 11.695 -0.181) 11.738 15.869 ( -0.817 -7.142 0.006) 7.188 16.284 ( -1.589 17.044 0.816) 17.138 16.409 ( -2.515 10.219 -0.669) 10.545 17.585 ( -4.397 3.175 -5.344) 7.613 17.656 ( -0.788 -5.970 -3.051) 6.750 17.860 ( -7.040 -0.286 4.525) 8.373 18.002 ( -0.850 -12.455 1.140) 12.536 18.973 ( -3.542 10.332 0.223) 10.925 19.047 ( 0.503 9.096 2.788) 9.527 20.371 ( -0.703 -8.889 -0.539) 8.933 20.634 ( 0.094 -14.736 -4.545) 15.422 21.091 ( 1.889 2.237 -4.091) 5.031 21.325 ( 8.792 -5.282 -0.739) 10.283 21.643 ( -3.709 3.815 -1.455) 5.516 21.735 ( -1.267 2.869 0.719) 3.217 21.923 ( -0.083 6.401 4.897) 8.060 22.096 ( 3.061 3.552 0.342) 4.701 24.281 ( 0.597 0.282 -1.329) 1.484 24.414 ( 0.526 -3.519 4.759) 5.942 108.006 ( -0.075 0.494 0.175) 0.530 108.055 ( 0.530 -0.922 0.920) 1.407 108.940 ( -0.019 2.369 -0.464) 2.414 108.956 ( 0.373 1.267 -0.408) 1.382 109.162 ( -0.196 -0.003 0.266) 0.330 109.296 ( -0.127 -3.498 -1.281) 3.727 ======================= Grid point 87 (45/148) ======================= q-point: (-0.33 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( -11.869 3.518 0.652) 12.397 1.754 ( -7.298 1.941 4.509) 8.795 1.925 ( -7.450 -2.073 8.245) 11.303 2.168 ( -1.357 -4.046 0.441) 4.290 2.273 ( 1.406 4.338 1.143) 4.701 2.463 ( 3.175 -2.962 5.669) 7.140 3.176 ( -6.962 12.189 -5.577) 15.105 3.466 ( -5.622 -0.128 -0.037) 5.624 3.780 ( -9.919 -9.477 -5.336) 14.720 4.245 ( -7.649 -11.415 -5.460) 14.786 4.447 ( 3.554 12.234 2.078) 12.908 4.832 ( -7.057 0.137 0.325) 7.066 5.167 ( 10.731 2.061 0.121) 10.928 5.292 ( 16.700 -2.791 -0.160) 16.932 5.881 ( 7.174 -1.309 -0.327) 7.299 6.167 ( 2.431 -5.607 0.614) 6.142 7.625 ( -0.434 8.854 0.427) 8.875 8.159 ( -5.938 1.441 -0.657) 6.146 8.256 ( 16.258 -3.424 -1.723) 16.704 8.564 ( -3.226 -4.487 -2.033) 5.888 8.955 ( -1.146 3.154 0.298) 3.369 9.202 ( 2.853 -2.186 -1.823) 4.030 9.500 ( 5.772 11.757 -2.057) 13.258 10.105 ( 6.151 8.709 -0.918) 10.702 10.304 ( 1.781 -13.907 0.196) 14.022 10.614 ( 6.160 -4.297 -0.688) 7.542 10.869 ( 0.811 -1.711 1.267) 2.278 11.007 ( -5.846 3.449 0.439) 6.802 11.343 ( -8.675 -1.125 2.003) 8.974 11.582 ( -1.928 -5.479 4.481) 7.336 12.074 ( 5.064 3.973 3.377) 7.268 12.264 ( -4.163 1.503 1.660) 4.727 12.831 ( 0.063 -7.183 3.113) 7.829 12.887 ( 1.930 -6.006 2.651) 6.842 13.021 ( 7.374 3.140 1.324) 8.123 13.221 ( 3.610 -1.927 0.374) 4.109 13.558 ( 0.508 3.085 0.194) 3.132 13.800 ( 8.111 -5.794 5.424) 11.348 14.686 ( -7.589 0.111 -3.029) 8.172 15.011 ( -6.406 -10.752 -2.294) 12.724 15.444 ( -2.747 9.601 0.082) 9.987 15.825 ( -3.501 -7.339 -0.027) 8.131 16.214 ( -4.813 14.101 -0.370) 14.905 16.317 ( -5.939 9.934 -1.002) 11.617 17.424 ( -9.801 6.464 -12.751) 17.333 17.621 ( -5.527 -3.722 0.853) 6.718 17.655 ( -9.554 -1.561 3.927) 10.447 17.951 ( -3.889 -12.495 1.543) 13.177 18.861 ( -6.537 10.711 0.117) 12.549 19.145 ( 7.845 7.211 -0.046) 10.656 20.334 ( -2.412 -8.934 -0.078) 9.254 20.614 ( -2.083 -13.837 -6.685) 15.508 21.121 ( 2.144 6.015 1.334) 6.523 21.478 ( 3.971 0.348 4.585) 6.076 21.605 ( 2.237 -0.794 -3.729) 4.421 21.754 ( 2.601 2.430 2.623) 4.422 21.932 ( 0.746 5.642 1.014) 5.781 22.198 ( 5.662 0.988 -2.905) 6.440 24.304 ( 1.457 0.035 -1.582) 2.151 24.429 ( 0.498 -3.465 4.254) 5.509 108.005 ( -0.052 0.652 0.203) 0.685 108.072 ( 1.002 -1.428 1.427) 2.254 108.945 ( 0.658 2.736 -0.486) 2.856 108.967 ( 0.701 1.156 -0.422) 1.417 109.151 ( -0.807 0.043 0.365) 0.887 109.286 ( -0.742 -3.573 -1.743) 4.043 ======================= Grid point 88 (46/148) ======================= q-point: (-0.22 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( -11.863 9.505 4.965) 15.991 1.501 ( -16.229 8.766 15.934) 24.374 1.893 ( 2.283 -6.935 1.648) 7.485 2.111 ( -4.781 -1.027 0.611) 4.929 2.228 ( -6.747 8.444 1.846) 10.964 2.478 ( -1.594 -1.671 4.604) 5.150 2.993 ( -8.456 5.232 -5.301) 11.269 3.412 ( -0.325 -6.209 0.858) 6.276 3.497 ( -15.288 -5.638 -3.882) 16.751 3.997 ( -13.116 -17.359 -7.264) 22.937 4.591 ( 9.658 11.523 0.921) 15.064 4.776 ( 1.548 3.461 -0.697) 3.855 5.415 ( 12.451 7.186 -0.204) 14.377 5.671 ( 17.661 -1.506 0.549) 17.734 6.032 ( 7.127 1.050 0.012) 7.204 6.290 ( 8.288 -3.998 1.293) 9.293 7.651 ( 2.679 6.943 0.803) 7.485 8.028 ( -6.237 -1.946 -0.723) 6.573 8.407 ( -6.996 -3.862 -2.371) 8.335 8.577 ( 10.807 -10.599 -1.184) 15.183 8.941 ( -0.518 1.798 0.478) 1.932 9.236 ( -0.841 -3.830 -0.938) 4.032 9.616 ( 4.620 13.152 -2.844) 14.227 10.190 ( 2.457 3.695 -2.591) 5.138 10.411 ( 7.471 0.231 0.202) 7.477 10.693 ( -0.837 0.082 -0.643) 1.059 10.752 ( -8.675 0.878 1.371) 8.826 11.027 ( 7.260 -0.573 -0.760) 7.322 11.272 ( 3.232 -4.829 1.990) 6.142 11.524 ( -3.740 -9.223 1.445) 10.056 12.142 ( -1.183 10.078 5.062) 11.340 12.206 ( 0.834 2.585 0.371) 2.742 12.783 ( -6.191 -5.771 -1.130) 8.538 12.894 ( -0.327 -3.900 7.976) 8.885 13.161 ( 5.320 1.829 1.966) 5.959 13.330 ( 5.784 -7.784 2.228) 9.950 13.646 ( 7.750 2.331 1.056) 8.161 13.978 ( 7.562 -7.900 9.548) 14.517 14.491 ( -9.508 0.487 -0.997) 9.573 14.846 ( -9.765 -9.208 -2.208) 13.602 15.376 ( -3.746 5.230 1.005) 6.511 15.726 ( -5.843 -7.771 -0.026) 9.723 16.089 ( -6.870 9.677 -5.009) 12.882 16.195 ( -4.749 8.826 0.048) 10.023 17.185 ( -11.433 9.206 -15.038) 21.014 17.344 ( -14.793 4.526 -0.248) 15.472 17.578 ( -3.954 -4.611 3.527) 7.024 17.858 ( -4.686 -12.329 3.418) 13.626 18.728 ( -5.643 12.227 0.994) 13.503 19.343 ( 10.803 2.743 -1.891) 11.305 20.284 ( -2.183 -8.689 0.110) 8.960 20.551 ( -2.405 -9.833 -8.964) 13.521 21.211 ( 6.398 9.194 4.936) 12.240 21.483 ( -1.606 7.551 -1.970) 7.967 21.732 ( 7.120 -6.504 8.303) 12.725 21.827 ( 3.864 4.074 2.250) 6.049 21.941 ( -0.088 1.708 -4.452) 4.769 22.296 ( 3.784 -1.329 -6.210) 7.392 24.323 ( 0.121 -0.560 -1.359) 1.475 24.441 ( 0.363 -3.410 2.741) 4.390 108.005 ( -0.013 0.826 0.291) 0.875 108.095 ( 0.948 -2.276 2.249) 3.337 108.969 ( 1.660 2.903 -0.469) 3.377 108.983 ( 0.825 1.201 -0.416) 1.515 109.132 ( -0.999 0.111 0.301) 1.049 109.258 ( -1.947 -3.342 -2.517) 4.615 ======================= Grid point 89 (47/148) ======================= q-point: (-0.11 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( -13.558 11.566 16.920) 24.574 1.212 ( -9.446 17.818 11.303) 23.119 1.846 ( -14.225 19.469 2.670) 24.260 1.976 ( 0.498 -2.626 3.765) 4.618 2.125 ( -1.895 -6.906 2.566) 7.607 2.434 ( -2.323 3.045 2.569) 4.611 2.879 ( -2.336 -4.757 -4.701) 7.083 3.143 ( -15.112 -4.217 -2.634) 15.909 3.481 ( 3.781 -8.881 -1.336) 9.744 3.775 ( -6.369 -17.941 -6.098) 19.990 4.803 ( 9.183 8.270 -0.684) 12.377 4.839 ( 3.282 4.797 -2.066) 6.168 5.655 ( 9.834 11.973 0.395) 15.499 5.962 ( 9.200 0.866 0.964) 9.291 6.170 ( 5.589 4.324 0.588) 7.091 6.444 ( 5.380 -2.147 1.139) 5.904 7.727 ( 3.972 3.469 0.239) 5.279 7.915 ( -4.176 -6.664 -0.687) 7.894 8.251 ( -5.808 -4.283 -2.224) 7.551 8.785 ( 8.807 -14.767 0.435) 17.199 8.931 ( -0.286 -1.467 0.356) 1.536 9.147 ( -6.924 -6.437 0.144) 9.455 9.668 ( 0.741 13.089 -3.347) 13.530 10.161 ( -4.917 2.110 -2.056) 5.732 10.495 ( -2.110 4.616 -0.834) 5.144 10.605 ( -0.390 6.958 1.640) 7.160 10.815 ( 11.945 0.823 -1.510) 12.068 11.146 ( 3.067 -1.469 0.238) 3.409 11.408 ( -3.307 -5.469 0.796) 6.441 11.476 ( 9.148 -6.948 -2.347) 11.725 12.088 ( -2.635 9.609 5.753) 11.506 12.241 ( -0.079 3.331 -3.031) 4.504 12.634 ( -4.782 1.251 0.876) 5.020 12.860 ( -4.912 -1.886 6.431) 8.309 13.240 ( 1.973 -1.395 3.165) 3.982 13.379 ( -2.588 -16.281 5.399) 17.347 13.816 ( 5.338 1.263 0.656) 5.525 14.088 ( 3.562 -6.546 4.579) 8.747 14.410 ( 3.206 -1.550 8.728) 9.427 14.577 ( -15.670 -4.866 -5.201) 17.213 15.301 ( -3.258 0.747 2.054) 3.923 15.592 ( -6.601 -8.783 0.535) 11.000 15.970 ( -2.349 9.467 -8.655) 13.040 16.138 ( -0.603 5.369 0.954) 5.486 16.960 ( -8.658 10.832 -10.593) 17.450 17.073 ( -9.427 8.197 -1.749) 12.614 17.479 ( -5.102 -1.113 1.837) 5.535 17.785 ( -2.554 -11.084 5.910) 12.818 18.653 ( -1.333 12.983 3.287) 13.458 19.570 ( 10.596 -5.004 -2.025) 11.892 20.248 ( -1.222 -6.740 -1.160) 6.947 20.532 ( 1.651 -6.274 -11.657) 13.341 21.379 ( 6.792 9.214 6.933) 13.383 21.437 ( -0.699 10.010 -7.911) 12.778 21.792 ( -6.223 -5.465 4.399) 9.378 21.884 ( 0.804 10.255 1.375) 10.378 21.975 ( 6.086 -6.536 -2.435) 9.257 22.359 ( 4.067 -2.406 -3.588) 5.933 24.298 ( -2.208 -0.213 -0.239) 2.231 24.446 ( -0.096 -3.422 0.984) 3.563 108.005 ( -0.043 0.922 0.371) 0.995 108.108 ( -0.102 -3.084 3.061) 4.347 108.992 ( 0.491 1.089 -0.374) 1.252 109.022 ( 2.930 1.990 -0.912) 3.657 109.115 ( -0.494 0.437 -0.067) 0.663 109.201 ( -3.036 -1.843 -2.551) 4.373 ======================= Grid point 90 (48/148) ======================= q-point: ( 0.00 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( -4.912 19.462 13.915) 24.424 1.529 ( -1.828 19.957 3.628) 20.367 1.605 ( -3.302 -17.440 7.252) 19.174 1.909 ( -1.238 -15.419 1.936) 15.590 2.279 ( 0.978 20.852 4.533) 21.361 2.474 ( -0.319 -0.793 1.165) 1.445 2.751 ( -1.289 -0.002 -4.343) 4.530 2.844 ( -0.467 -6.790 -4.233) 8.015 3.399 ( 1.477 -1.098 -2.932) 3.462 3.499 ( 6.375 -11.309 0.149) 12.983 4.943 ( -1.241 2.888 -3.324) 4.575 4.965 ( -1.046 0.853 -3.054) 3.338 5.996 ( -0.820 8.727 0.729) 8.796 6.080 ( -0.213 -0.460 0.921) 1.052 6.350 ( 0.390 5.561 1.516) 5.777 6.445 ( 0.195 -4.181 1.615) 4.486 7.725 ( -1.169 -2.809 -1.081) 3.229 7.732 ( -0.638 -4.064 -0.777) 4.187 8.299 ( 1.251 11.916 -0.652) 11.999 8.584 ( -0.394 -16.413 -0.507) 16.425 8.894 ( 1.612 -2.509 0.528) 3.028 8.904 ( -0.411 -3.146 1.412) 3.473 9.876 ( -0.308 9.945 -3.583) 10.576 10.036 ( 0.383 -6.467 -2.470) 6.934 10.613 ( 0.464 9.742 -1.337) 9.844 10.803 ( 0.284 -3.981 -1.327) 4.206 10.898 ( -0.581 7.715 -0.588) 7.760 11.143 ( 0.696 -11.063 0.720) 11.108 11.330 ( -1.897 9.060 -0.267) 9.260 11.504 ( -1.550 -8.304 -1.011) 8.508 12.114 ( -5.010 7.605 -1.548) 9.238 12.227 ( 0.504 -3.597 -1.271) 3.848 12.702 ( 0.031 2.438 6.164) 6.629 12.730 ( -3.822 -0.214 5.480) 6.684 13.150 ( 1.498 -1.427 4.651) 5.091 13.193 ( 0.527 -4.533 1.913) 4.949 13.916 ( -1.709 3.989 -0.858) 4.424 13.997 ( -5.626 -4.262 -2.435) 7.466 14.350 ( -0.825 3.054 -0.350) 3.183 14.437 ( 4.776 -6.178 3.551) 8.579 15.268 ( -0.938 2.647 1.350) 3.116 15.355 ( -0.595 -6.357 1.017) 6.465 16.123 ( 2.399 5.119 -1.312) 5.803 16.185 ( 2.172 -1.363 1.359) 2.902 17.034 ( 0.235 8.177 -4.697) 9.433 17.110 ( 2.024 0.515 -3.143) 3.774 17.462 ( -0.560 4.614 1.445) 4.867 17.587 ( -0.333 -8.064 2.985) 8.605 18.997 ( 3.581 19.200 6.575) 20.608 19.393 ( 3.639 -21.292 5.678) 22.334 20.289 ( 1.813 6.705 -5.949) 9.145 20.439 ( 2.950 -8.356 -9.143) 12.733 21.390 ( -10.054 4.136 -6.146) 12.489 21.451 ( -13.831 -1.770 -6.738) 15.486 21.808 ( 6.635 7.377 3.360) 10.476 21.932 ( 2.754 -5.053 -0.413) 5.769 22.134 ( 2.095 10.377 2.135) 10.799 22.337 ( 3.947 -9.883 1.368) 10.729 24.306 ( 0.002 2.925 0.344) 2.946 24.371 ( -0.278 -3.644 0.010) 3.655 108.026 ( -0.139 1.377 0.762) 1.579 108.056 ( -0.438 -1.726 1.595) 2.391 109.019 ( -0.007 1.188 -0.285) 1.222 109.040 ( -0.245 -0.965 -0.512) 1.119 109.134 ( -0.260 1.296 -1.304) 1.857 109.158 ( 0.855 -1.189 -0.754) 1.647 ======================= Grid point 91 (49/148) ======================= q-point: ( 0.11 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( 2.522 19.411 9.733) 21.860 1.521 ( 2.194 19.907 3.624) 20.353 1.589 ( 0.876 -20.084 5.190) 20.762 1.872 ( -1.534 -15.483 2.008) 15.688 2.349 ( 3.135 11.884 1.432) 12.374 2.466 ( -0.378 -0.987 1.263) 1.647 2.839 ( 10.639 5.632 -5.182) 13.106 2.963 ( 10.294 -5.735 -6.506) 13.460 3.474 ( 6.563 5.618 1.722) 8.809 3.689 ( 11.598 -15.136 4.155) 19.516 4.837 ( -8.223 3.895 -4.299) 10.064 4.870 ( -6.724 0.282 -3.740) 7.699 5.838 ( -12.668 8.566 -0.230) 15.294 5.944 ( -12.477 -2.393 0.096) 12.705 6.281 ( -6.799 5.306 1.959) 8.844 6.384 ( -6.417 -5.051 2.111) 8.435 7.728 ( 0.822 2.109 -1.411) 2.667 7.786 ( 5.144 -4.327 -1.376) 6.861 8.323 ( 2.302 5.241 -0.211) 5.728 8.496 ( -5.142 -12.150 -0.452) 13.202 8.957 ( 5.305 1.948 1.040) 5.746 9.041 ( 7.889 -6.188 1.061) 10.082 9.892 ( 1.138 11.867 -4.353) 12.691 10.097 ( 4.008 -9.067 -3.171) 10.408 10.639 ( 2.609 6.687 0.409) 7.190 10.766 ( -2.864 -3.459 0.389) 4.508 10.821 ( -6.842 15.178 -1.153) 16.689 11.138 ( -4.091 -9.987 -0.548) 10.807 11.194 ( -8.113 -1.663 -0.963) 8.337 11.293 ( -10.752 -6.283 -0.409) 12.460 12.127 ( 4.331 11.818 -3.006) 12.941 12.308 ( 3.764 -6.156 -1.596) 7.390 12.570 ( -6.687 5.323 2.379) 8.872 12.679 ( -4.991 -5.372 3.897) 8.304 13.251 ( 5.632 -0.321 4.252) 7.065 13.276 ( 6.721 -2.797 3.177) 7.943 13.788 ( -10.781 0.653 -2.948) 11.196 13.803 ( -8.876 -1.151 -2.230) 9.224 14.431 ( 7.268 6.194 1.340) 9.643 14.586 ( 7.789 -9.661 2.638) 12.688 15.316 ( 5.218 4.277 0.384) 6.758 15.425 ( 6.476 -7.040 0.324) 9.571 16.195 ( 4.468 5.000 0.365) 6.715 16.251 ( 3.535 -0.863 2.347) 4.330 17.141 ( 9.342 8.903 -5.051) 13.858 17.251 ( 10.507 -2.246 -3.718) 11.369 17.478 ( 2.565 4.007 2.669) 5.455 17.596 ( 1.204 -7.898 3.537) 8.737 19.100 ( 5.224 17.926 9.315) 20.866 19.466 ( 2.408 -19.430 8.487) 21.338 20.301 ( -0.742 8.504 -4.414) 9.610 20.481 ( 1.456 -9.870 -6.932) 12.149 21.102 ( -13.747 6.778 -12.212) 19.597 21.191 ( -10.520 -2.699 -9.204) 14.236 21.903 ( 2.166 4.256 3.631) 5.999 21.946 ( -0.690 -0.612 1.021) 1.376 22.165 ( 0.277 10.118 2.395) 10.401 22.393 ( 0.361 -12.072 2.290) 12.293 24.319 ( 0.872 1.942 0.174) 2.136 24.367 ( -0.121 -2.927 -0.147) 2.934 108.024 ( -0.109 1.197 0.592) 1.340 108.048 ( -0.350 -1.316 1.202) 1.816 109.014 ( -0.380 1.026 -0.319) 1.140 109.027 ( -0.880 -0.004 -0.554) 1.040 109.132 ( 0.219 2.169 -0.811) 2.326 109.183 ( 1.239 -3.129 -0.857) 3.473 ======================= Grid point 92 (50/148) ======================= q-point: ( 0.22 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 8.034 15.069 2.482) 17.256 1.624 ( 3.292 -13.811 1.653) 14.294 1.648 ( 7.983 9.868 6.255) 14.150 1.884 ( 2.805 -11.777 3.602) 12.631 2.368 ( -1.009 5.751 -0.918) 5.911 2.452 ( -1.449 -2.441 0.875) 2.971 3.119 ( 14.798 5.278 -6.711) 17.085 3.194 ( 11.034 -2.955 -7.624) 13.734 3.699 ( 14.477 9.980 6.232) 18.656 3.965 ( 13.317 -15.685 5.330) 21.254 4.651 ( -7.554 6.346 -4.331) 10.775 4.727 ( -5.591 -1.869 -4.106) 7.184 5.522 ( -16.936 5.918 -0.993) 17.968 5.608 ( -18.625 -2.647 -0.765) 18.828 6.104 ( -9.481 4.166 1.748) 10.502 6.206 ( -9.570 -5.945 2.220) 11.483 7.748 ( 1.500 8.742 -1.199) 8.950 7.905 ( 5.789 -6.494 -1.672) 8.859 8.388 ( 0.822 -1.602 -0.422) 1.849 8.433 ( 0.999 -5.936 -0.753) 6.067 9.048 ( 2.614 4.899 1.413) 5.730 9.161 ( 2.811 -6.168 0.842) 6.831 9.866 ( -3.796 13.347 -4.256) 14.515 10.103 ( -3.878 -10.938 -3.629) 12.160 10.561 ( -11.835 10.537 -0.587) 15.857 10.679 ( -8.206 -3.433 0.232) 8.898 10.798 ( 5.983 7.092 0.218) 9.281 10.957 ( -3.852 -5.997 -1.849) 7.364 11.130 ( 3.732 1.094 1.677) 4.235 11.257 ( 2.566 -12.082 1.621) 12.457 12.208 ( 2.385 9.467 -1.745) 9.918 12.272 ( -5.353 3.271 1.895) 6.554 12.534 ( 1.389 -1.898 -2.691) 3.574 12.597 ( -0.630 -7.654 -0.866) 7.728 13.315 ( -2.108 4.182 3.805) 6.034 13.380 ( 0.922 -2.595 4.908) 5.628 13.592 ( -7.222 -0.040 -2.477) 7.635 13.627 ( -4.924 -4.297 -3.100) 7.233 14.616 ( 9.538 5.112 1.379) 10.909 14.744 ( 7.264 -8.054 1.282) 10.921 15.450 ( 6.680 5.834 -0.169) 8.870 15.573 ( 6.754 -7.207 0.006) 9.877 16.316 ( 7.084 5.064 0.167) 8.709 16.339 ( 5.112 2.781 1.866) 6.111 17.334 ( 7.874 6.042 -4.490) 10.893 17.449 ( 7.186 -4.872 -3.898) 9.517 17.610 ( 9.867 1.302 3.550) 10.566 17.661 ( 5.090 -4.833 4.121) 8.139 19.204 ( 3.505 15.143 9.900) 18.428 19.484 ( -1.944 -12.519 9.177) 15.644 20.248 ( -3.203 9.595 -3.477) 10.696 20.477 ( -1.661 -13.001 -3.640) 13.603 20.910 ( -3.090 6.582 -12.448) 14.416 21.017 ( -4.346 -4.396 -12.381) 13.838 21.902 ( -2.027 3.591 1.339) 4.335 21.930 ( -1.110 -0.504 4.456) 4.620 22.143 ( -2.450 9.979 2.302) 10.530 22.349 ( -4.426 -10.096 2.400) 11.282 24.328 ( -0.169 1.036 0.099) 1.055 24.361 ( -0.517 -2.403 0.194) 2.466 108.022 ( -0.102 1.024 0.444) 1.120 108.043 ( -0.274 -1.094 0.798) 1.381 109.003 ( -0.654 0.893 -0.359) 1.163 109.007 ( -0.912 0.790 -0.355) 1.258 109.142 ( 0.744 2.240 -0.558) 2.425 109.204 ( 0.810 -3.983 -0.922) 4.168 ======================= Grid point 93 (51/148) ======================= q-point: ( 0.33 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 10.987 8.304 -2.707) 14.036 1.704 ( 4.995 -10.234 -0.704) 11.410 1.862 ( 10.719 5.701 7.750) 14.404 1.978 ( 5.184 -6.511 4.416) 9.421 2.322 ( -3.130 4.340 -0.467) 5.372 2.403 ( -3.170 -3.585 1.194) 4.932 3.377 ( 7.183 3.284 -5.474) 9.609 3.402 ( 12.415 1.121 -6.795) 14.197 3.985 ( 8.946 6.128 5.728) 12.264 4.161 ( 3.908 -9.342 1.122) 10.188 4.583 ( 1.332 6.693 -1.900) 7.084 4.693 ( 3.792 -4.779 -3.408) 6.988 5.162 ( -16.729 2.780 -1.161) 16.998 5.231 ( -15.867 -3.137 -0.560) 16.184 5.925 ( -6.819 5.053 0.484) 8.501 6.051 ( -4.566 -7.219 0.875) 8.587 7.789 ( 2.262 10.967 -0.487) 11.208 7.999 ( 2.387 -9.997 -0.920) 10.319 8.338 ( -3.432 6.013 -0.924) 6.985 8.477 ( 0.350 -7.661 -0.780) 7.709 9.068 ( -0.307 4.524 0.911) 4.625 9.159 ( -2.232 -4.527 0.084) 5.048 9.752 ( -5.566 13.532 -2.846) 14.906 10.002 ( -3.863 -12.548 -2.601) 13.384 10.317 ( -9.864 9.569 0.011) 13.743 10.489 ( -7.653 -8.132 -0.697) 11.189 10.846 ( -0.746 5.652 -0.453) 5.719 10.973 ( 1.051 -5.474 0.282) 5.581 11.329 ( 12.901 0.848 2.821) 13.233 11.389 ( 9.477 -6.065 2.836) 11.604 12.159 ( -3.681 7.557 1.033) 8.469 12.234 ( -0.400 0.225 0.310) 0.554 12.582 ( 4.024 -0.494 -2.239) 4.632 12.643 ( 3.352 -6.320 -3.047) 7.776 13.163 ( -10.054 5.072 3.172) 11.699 13.279 ( -9.109 -6.820 3.603) 11.936 13.528 ( 0.519 3.959 -1.214) 4.173 13.614 ( 1.304 -4.684 -2.199) 5.336 14.790 ( 6.406 3.449 -0.132) 7.277 14.882 ( 5.686 -6.232 -0.630) 8.459 15.569 ( 4.579 6.088 -0.207) 7.620 15.685 ( 3.937 -6.434 0.003) 7.543 16.452 ( 5.842 7.644 0.169) 9.622 16.478 ( 7.154 4.686 0.408) 8.562 17.449 ( 4.026 1.640 -1.404) 4.569 17.555 ( 3.771 -8.178 -0.678) 9.031 17.791 ( 5.873 0.356 1.879) 6.176 17.810 ( 7.723 -0.700 1.801) 7.961 19.245 ( -0.395 11.126 7.638) 13.502 19.393 ( -6.923 -2.321 6.938) 10.072 20.214 ( 0.613 4.742 -2.938) 5.612 20.419 ( -2.844 -14.630 -2.826) 15.169 20.927 ( 4.489 3.925 -9.598) 11.299 21.000 ( 2.871 -3.385 -11.131) 11.984 21.848 ( -3.066 3.492 1.553) 4.900 21.893 ( -2.793 -1.576 3.282) 4.589 22.082 ( -3.128 9.147 2.924) 10.099 22.237 ( -5.947 -6.242 2.638) 9.016 24.315 ( -0.922 0.929 0.181) 1.321 24.348 ( -0.699 -2.391 1.258) 2.791 108.020 ( -0.111 0.852 0.359) 0.931 108.038 ( -0.264 -0.935 0.576) 1.129 108.988 ( -0.682 0.980 -0.352) 1.245 108.990 ( -0.702 0.861 -0.301) 1.151 109.158 ( 0.832 1.976 -0.404) 2.182 109.217 ( 0.563 -3.868 -0.870) 4.004 ======================= Grid point 94 (52/148) ======================= q-point: ( 0.44 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( 8.017 3.672 -4.630) 9.959 1.819 ( 5.331 -5.517 -1.761) 7.871 2.047 ( 3.980 0.111 7.328) 8.340 2.077 ( 3.802 -2.308 4.343) 6.217 2.258 ( -1.603 4.879 1.917) 5.482 2.337 ( -2.822 -3.104 3.170) 5.258 3.473 ( 2.235 8.110 -3.618) 9.157 3.615 ( 7.897 -4.138 -6.448) 11.002 4.009 ( -5.380 6.682 2.215) 8.860 4.186 ( -0.437 -7.958 -2.652) 8.400 4.644 ( 3.364 10.441 -0.598) 10.985 4.785 ( 2.699 -4.120 -2.529) 5.537 4.893 ( -7.435 0.648 -0.340) 7.471 5.013 ( -4.725 -10.035 1.276) 11.165 5.854 ( -0.352 7.638 -0.721) 7.680 6.016 ( 0.289 -8.530 -0.672) 8.561 7.836 ( 2.533 8.094 -0.450) 8.493 7.954 ( -5.874 -3.578 -0.534) 6.898 8.313 ( 1.421 5.571 -0.540) 5.774 8.444 ( -2.193 -7.589 0.345) 7.907 9.057 ( -0.609 2.540 -0.688) 2.701 9.112 ( -1.542 -3.175 -0.902) 3.643 9.678 ( -1.179 15.408 -1.500) 15.526 9.956 ( -0.341 -11.494 -1.249) 11.566 10.189 ( -2.775 5.969 0.327) 6.591 10.369 ( -3.955 -10.896 -0.054) 11.592 10.831 ( 0.097 6.318 0.286) 6.326 10.977 ( 0.252 -7.905 1.283) 8.012 11.557 ( 6.496 0.893 2.752) 7.111 11.569 ( 5.809 -0.007 4.035) 7.073 12.114 ( -0.800 7.945 0.513) 8.001 12.233 ( 0.453 -4.674 0.125) 4.697 12.659 ( 2.694 0.651 -1.162) 3.005 12.723 ( 4.642 -5.240 -1.830) 7.236 12.983 ( -6.064 4.662 3.170) 8.280 13.106 ( -6.534 -7.719 3.244) 10.620 13.552 ( 1.658 4.398 -0.479) 4.725 13.637 ( 0.862 -3.611 -1.900) 4.171 14.867 ( 1.075 3.490 -1.930) 4.130 14.960 ( 1.575 -6.395 -2.566) 7.068 15.637 ( 1.974 5.957 -0.074) 6.276 15.741 ( 1.600 -5.578 0.074) 5.803 16.549 ( 2.932 9.701 -0.018) 10.134 16.589 ( 2.971 5.531 0.125) 6.279 17.510 ( 1.952 -0.550 1.042) 2.280 17.608 ( 1.076 -9.047 0.872) 9.152 17.868 ( 1.190 1.541 -0.511) 2.013 17.909 ( 1.407 -1.635 0.542) 2.224 19.207 ( -3.202 7.093 3.676) 8.607 19.252 ( -6.014 3.224 3.623) 7.726 20.248 ( 2.030 0.302 -1.662) 2.641 20.379 ( -0.738 -12.178 -2.516) 12.457 21.040 ( 6.126 2.076 -6.632) 9.264 21.089 ( 6.069 -2.892 -6.805) 9.566 21.781 ( -3.409 2.934 0.670) 4.547 21.820 ( -4.084 -1.145 0.674) 4.295 22.041 ( -0.769 6.797 4.128) 7.989 22.134 ( -3.443 -2.442 2.858) 5.097 24.298 ( -0.520 1.413 0.341) 1.543 24.340 ( -0.085 -2.884 2.256) 3.662 108.019 ( -0.056 0.730 0.315) 0.797 108.034 ( -0.086 -0.845 0.509) 0.990 108.978 ( -0.269 0.881 -0.364) 0.990 108.978 ( -0.380 0.918 -0.388) 1.066 109.172 ( 0.471 1.749 -0.235) 1.826 109.225 ( 0.299 -3.550 -0.740) 3.638 ======================= Grid point 95 (53/148) ======================= q-point: (-0.44 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( -1.820 2.666 -3.150) 4.510 1.850 ( -3.456 -2.718 -0.480) 4.423 2.059 ( -3.208 0.107 5.855) 6.677 2.090 ( 0.052 -2.987 3.648) 4.715 2.294 ( 1.601 2.408 5.622) 6.322 2.330 ( 3.302 -1.123 3.992) 5.301 3.463 ( -2.532 9.703 -3.499) 10.621 3.678 ( -2.452 -12.454 -4.416) 13.440 3.850 ( -8.155 15.572 -3.237) 17.874 4.136 ( -4.654 -12.849 -4.522) 14.395 4.679 ( -0.436 14.301 0.762) 14.328 4.863 ( 1.516 -1.423 0.442) 2.126 4.898 ( 9.283 -2.441 -0.958) 9.646 4.981 ( 4.165 -11.309 0.191) 12.053 5.860 ( 0.543 7.483 -0.442) 7.516 6.019 ( -0.246 -8.359 -0.556) 8.381 7.842 ( -2.338 7.304 -0.348) 7.677 7.937 ( 6.252 -2.028 -1.316) 6.703 8.323 ( -1.204 4.526 -0.094) 4.685 8.441 ( 1.543 -7.205 0.400) 7.379 9.045 ( -0.399 2.909 -0.825) 3.050 9.103 ( 0.808 -3.193 -1.187) 3.501 9.685 ( 1.685 16.220 -1.333) 16.362 9.986 ( 2.584 -12.430 -0.309) 12.700 10.172 ( 1.415 5.893 -0.243) 6.065 10.355 ( 3.504 -10.864 -0.583) 11.430 10.860 ( 2.383 6.187 1.376) 6.771 11.000 ( 1.559 -7.285 1.943) 7.699 11.554 ( -7.001 1.748 2.484) 7.631 11.585 ( -4.751 -1.156 4.591) 6.707 12.124 ( 1.805 7.682 0.928) 7.946 12.250 ( 1.294 -5.167 1.163) 5.452 12.707 ( 2.054 0.345 0.523) 2.148 12.780 ( -0.242 -6.244 0.047) 6.249 12.961 ( 3.790 4.875 2.563) 6.685 13.066 ( 3.127 -5.555 2.100) 6.712 13.594 ( 2.069 3.056 1.421) 3.955 13.652 ( 1.198 -2.076 -1.084) 2.630 14.836 ( -3.651 3.436 -3.269) 5.985 14.937 ( -3.490 -7.242 -3.599) 8.808 15.646 ( -1.162 6.043 0.223) 6.158 15.749 ( -0.989 -5.364 0.295) 5.463 16.555 ( -2.687 9.476 0.101) 9.850 16.590 ( -2.888 5.897 0.019) 6.566 17.534 ( 0.286 -1.704 2.419) 2.973 17.595 ( -2.447 -5.761 0.324) 6.268 17.836 ( -4.358 0.091 -0.844) 4.440 17.869 ( -4.713 -2.383 -2.312) 5.765 19.138 ( -3.452 6.291 0.586) 7.200 19.177 ( -1.081 2.960 0.655) 3.218 20.268 ( -0.202 -0.372 -0.971) 1.059 20.376 ( 0.216 -10.840 -2.708) 11.175 21.149 ( 4.800 3.703 -2.611) 6.601 21.230 ( 7.443 -4.646 -1.643) 8.927 21.711 ( -3.009 3.026 -1.305) 4.463 21.751 ( -1.980 -0.865 -0.515) 2.221 22.046 ( 0.572 5.674 3.609) 6.749 22.118 ( 1.539 -1.437 1.878) 2.822 24.299 ( 0.587 1.751 0.346) 1.879 24.348 ( 0.552 -3.204 2.564) 4.141 108.019 ( 0.052 0.800 0.325) 0.866 108.036 ( 0.256 -0.979 0.589) 1.171 108.975 ( 0.174 1.052 -0.468) 1.164 108.977 ( 0.259 0.738 -0.419) 0.888 109.176 ( -0.160 1.686 -0.098) 1.696 109.227 ( -0.143 -3.423 -0.686) 3.494 ======================= Grid point 96 (54/148) ======================= q-point: (-0.33 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( -7.917 3.822 0.928) 8.840 1.745 ( -4.542 -2.832 0.391) 5.366 1.946 ( -8.399 4.450 10.830) 14.409 2.060 ( -3.748 -6.563 5.633) 9.426 2.348 ( 3.182 3.547 1.795) 5.092 2.410 ( 3.102 -2.882 3.278) 5.354 3.388 ( -3.911 8.612 -4.580) 10.509 3.522 ( -10.837 -1.863 -0.944) 11.036 3.669 ( -10.320 6.425 -7.301) 14.180 3.953 ( -13.185 -17.079 -6.504) 22.535 4.676 ( 1.347 9.665 1.169) 9.828 4.801 ( -2.963 -3.688 0.597) 4.768 5.192 ( 16.878 2.037 -0.181) 17.001 5.248 ( 17.711 -2.981 -0.062) 17.961 5.915 ( 5.649 4.892 0.070) 7.473 6.040 ( 3.593 -7.224 0.382) 8.078 7.827 ( 0.066 11.674 0.827) 11.704 8.048 ( 1.710 -10.621 0.775) 10.786 8.304 ( 0.865 6.522 -2.028) 6.884 8.444 ( -2.120 -7.440 -1.845) 7.953 9.039 ( -0.383 5.220 0.210) 5.238 9.137 ( 1.806 -4.563 -0.659) 4.951 9.753 ( 5.237 13.956 -2.873) 15.181 10.021 ( 1.818 -13.958 -1.867) 14.199 10.310 ( 11.273 10.269 -0.366) 15.253 10.492 ( 8.568 -8.321 -0.595) 11.959 10.910 ( 1.526 5.627 1.746) 6.086 11.017 ( -0.891 -3.224 1.383) 3.620 11.334 ( -11.803 0.937 2.331) 12.067 11.415 ( -9.905 -8.131 3.924) 13.403 12.191 ( 4.274 7.712 2.134) 9.072 12.302 ( 3.295 -1.572 4.119) 5.504 12.705 ( -2.597 -2.073 2.294) 4.038 12.765 ( -0.088 -6.097 2.033) 6.428 13.098 ( 7.545 4.577 0.571) 8.844 13.180 ( 5.797 -3.389 -0.310) 6.723 13.631 ( 1.955 4.408 2.498) 5.431 13.713 ( 4.674 -4.068 3.703) 7.219 14.715 ( -7.576 3.258 -3.462) 8.944 14.822 ( -6.828 -8.056 -3.253) 11.050 15.590 ( -4.232 6.018 0.521) 7.376 15.698 ( -3.959 -5.802 0.422) 7.036 16.441 ( -7.824 8.097 -0.364) 11.265 16.478 ( -7.459 4.548 -0.130) 8.737 17.504 ( -6.220 1.499 -3.701) 7.391 17.527 ( -1.300 -2.798 2.203) 3.791 17.677 ( -10.083 1.889 -0.963) 10.304 17.753 ( -5.698 -7.153 -1.613) 9.286 19.065 ( -3.599 9.918 -0.415) 10.559 19.197 ( 2.455 -2.533 -1.123) 3.702 20.247 ( -1.320 1.005 -1.551) 2.271 20.369 ( -0.566 -10.700 -4.695) 11.698 21.251 ( 5.556 7.308 2.672) 9.561 21.390 ( 7.982 -6.895 3.953) 11.264 21.667 ( -1.088 4.655 -3.681) 6.033 21.743 ( 1.031 -2.835 -1.247) 3.264 22.067 ( 1.094 7.126 1.677) 7.401 22.174 ( 3.140 -3.576 -0.241) 4.765 24.318 ( 1.021 1.579 0.056) 1.881 24.364 ( 0.728 -3.079 2.124) 3.810 108.022 ( 0.167 1.063 0.427) 1.158 108.045 ( 0.500 -1.363 0.847) 1.681 108.985 ( 0.775 1.112 -0.501) 1.445 108.987 ( 0.682 0.697 -0.434) 1.068 109.166 ( -0.735 1.731 -0.087) 1.883 109.217 ( -0.727 -3.407 -0.854) 3.587 ======================= Grid point 97 (55/148) ======================= q-point: (-0.22 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( -6.830 9.085 5.520) 12.635 1.670 ( -4.757 0.779 4.898) 6.872 1.770 ( -6.766 2.011 10.173) 12.382 1.963 ( -5.010 -10.822 6.475) 13.570 2.394 ( 0.241 5.614 1.165) 5.739 2.455 ( 1.164 -1.538 1.856) 2.677 3.195 ( -17.067 14.214 -4.238) 22.612 3.342 ( -4.491 -1.836 -0.152) 4.854 3.416 ( -12.335 -1.011 -4.853) 13.294 3.629 ( -13.632 -19.374 -9.505) 25.525 4.761 ( 6.502 5.605 0.148) 8.586 4.811 ( 3.626 -0.075 -0.546) 3.668 5.544 ( 16.561 6.127 -0.126) 17.659 5.635 ( 18.160 -3.063 0.245) 18.418 6.081 ( 9.455 4.329 0.839) 10.433 6.188 ( 9.652 -6.135 1.421) 11.525 7.823 ( -0.870 10.095 1.770) 10.286 7.979 ( -6.966 -4.754 1.028) 8.496 8.336 ( -2.904 -2.102 -2.235) 4.225 8.386 ( 2.269 -7.378 -2.427) 8.092 9.013 ( -2.480 5.541 0.248) 6.076 9.134 ( -2.821 -6.426 -0.139) 7.020 9.871 ( 4.928 12.811 -3.905) 14.271 10.091 ( 3.778 -9.825 -3.766) 11.180 10.554 ( 9.625 8.113 -0.693) 12.607 10.652 ( 5.353 -3.176 -0.642) 6.257 10.858 ( -5.556 9.883 1.402) 11.424 11.022 ( 4.203 -2.305 -0.005) 4.794 11.185 ( -0.632 -2.786 3.115) 4.227 11.274 ( -3.244 -12.654 2.301) 13.264 12.286 ( 3.849 7.436 1.983) 8.605 12.350 ( -0.311 4.516 5.084) 6.807 12.663 ( -1.201 -2.759 2.048) 3.640 12.755 ( -0.974 -8.897 5.862) 10.699 13.207 ( 1.894 2.950 -0.536) 3.546 13.258 ( 1.219 -2.232 -0.900) 2.698 13.717 ( 6.487 5.084 3.392) 8.912 13.835 ( 6.170 -6.965 6.660) 11.443 14.539 ( -8.183 4.547 -1.671) 9.509 14.665 ( -7.982 -8.530 -2.203) 11.889 15.477 ( -6.517 5.334 0.902) 8.470 15.587 ( -6.598 -6.414 0.560) 9.219 16.260 ( -8.565 6.684 -2.011) 11.049 16.309 ( -7.895 1.981 -0.381) 8.149 17.334 ( -9.387 6.186 -7.838) 13.705 17.403 ( -11.334 0.017 -4.565) 12.219 17.530 ( -2.700 1.581 4.217) 5.251 17.649 ( -3.841 -9.320 1.951) 10.267 18.993 ( -3.085 14.830 0.548) 15.158 19.255 ( 2.958 -10.947 -0.590) 11.355 20.230 ( 0.171 3.064 -3.593) 4.726 20.360 ( 0.548 -9.318 -7.347) 11.879 21.397 ( 7.993 9.679 7.391) 14.567 21.562 ( 7.157 -5.688 9.485) 13.173 21.651 ( -0.000 4.503 -6.361) 7.793 21.771 ( 1.433 -6.038 -4.622) 7.738 22.086 ( 0.588 9.035 0.136) 9.055 22.230 ( 2.249 -5.633 -2.105) 6.420 24.331 ( 0.059 1.492 -0.138) 1.500 24.377 ( 0.310 -3.070 1.174) 3.301 108.026 ( 0.146 1.347 0.615) 1.488 108.056 ( 0.397 -1.823 1.256) 2.249 109.002 ( 0.757 0.935 -0.404) 1.269 109.007 ( 1.256 0.622 -0.437) 1.468 109.148 ( -0.873 1.745 -0.286) 1.972 109.196 ( -1.246 -3.025 -1.217) 3.491 ======================= Grid point 98 (56/148) ======================= q-point: (-0.11 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( -9.517 14.927 12.964) 21.942 1.567 ( -3.049 15.001 5.555) 16.284 1.689 ( -4.333 -11.847 8.067) 14.973 1.911 ( -0.216 -13.625 3.774) 14.140 2.338 ( -5.088 15.510 2.874) 16.575 2.472 ( 0.427 -0.727 1.240) 1.500 2.868 ( -11.012 5.771 -3.949) 13.044 3.040 ( -16.064 -7.803 -1.971) 17.967 3.370 ( 2.027 -2.006 -3.335) 4.388 3.460 ( -2.982 -12.379 -6.565) 14.326 4.902 ( 5.239 2.516 -1.829) 6.093 4.910 ( 5.280 1.911 -1.792) 5.894 5.856 ( 12.506 8.281 0.571) 15.010 5.956 ( 11.679 -2.233 0.677) 11.910 6.267 ( 7.168 5.645 1.412) 9.232 6.374 ( 6.713 -5.033 1.664) 8.554 7.780 ( -3.253 1.856 0.469) 3.775 7.820 ( -7.086 -3.150 -0.184) 7.756 8.274 ( -0.343 7.019 -1.766) 7.246 8.493 ( 6.417 -14.557 -0.443) 15.915 8.935 ( -4.525 2.403 0.297) 5.132 9.022 ( -7.208 -6.159 0.307) 9.486 9.906 ( -1.049 11.245 -3.722) 11.891 10.088 ( -3.480 -7.537 -3.194) 8.895 10.615 ( -0.798 6.982 -0.975) 7.095 10.745 ( 4.695 -4.951 -1.128) 6.916 10.859 ( 3.590 14.833 0.121) 15.262 11.125 ( 2.660 -7.365 -0.804) 7.872 11.265 ( 4.107 -2.282 1.928) 5.078 11.345 ( 11.946 -6.414 0.998) 13.596 12.262 ( -6.457 7.101 2.578) 9.938 12.312 ( -4.253 2.104 -1.030) 4.856 12.652 ( 0.965 2.359 3.758) 4.541 12.764 ( 0.598 -7.793 8.879) 11.829 13.189 ( -3.160 -0.685 1.965) 3.783 13.225 ( -2.956 -3.267 0.480) 4.432 13.868 ( 5.987 3.921 1.416) 7.295 13.964 ( 5.685 -6.008 3.356) 8.926 14.418 ( -2.921 2.118 2.045) 4.147 14.483 ( -9.144 -4.470 -2.123) 10.397 15.342 ( -5.780 3.630 1.651) 7.022 15.441 ( -6.771 -6.672 1.114) 9.571 16.126 ( -3.278 6.031 -3.084) 7.525 16.188 ( -3.045 -0.316 -0.272) 3.074 17.133 ( -8.297 6.553 -6.248) 12.281 17.182 ( -8.000 2.012 -4.404) 9.352 17.487 ( -1.883 2.910 2.552) 4.305 17.601 ( -1.310 -8.271 2.957) 8.881 18.956 ( -0.191 18.206 3.138) 18.476 19.318 ( 3.188 -18.288 2.097) 18.682 20.251 ( 2.004 5.159 -5.775) 7.999 20.386 ( 2.528 -8.103 -9.015) 12.383 21.524 ( -1.255 7.170 5.340) 9.028 21.646 ( 6.327 10.309 -4.764) 13.000 21.662 ( -4.000 -7.122 4.652) 9.400 21.827 ( 6.003 -8.585 -4.307) 11.327 22.099 ( 0.950 10.628 0.563) 10.685 22.270 ( 2.222 -6.917 -1.421) 7.403 24.319 ( -0.987 2.270 0.069) 2.476 24.377 ( -0.267 -3.532 0.385) 3.563 108.028 ( -0.027 1.469 0.777) 1.662 108.061 ( -0.087 -2.028 1.611) 2.591 109.014 ( 0.460 1.155 -0.308) 1.281 109.032 ( 1.023 -0.529 -0.386) 1.215 109.135 ( -0.167 1.540 -0.740) 1.716 109.167 ( -1.229 -1.740 -1.366) 2.530 ======================= Grid point 126 (57/148) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( 2.057 0.000 12.507) 12.675 0.907 ( -6.161 0.000 21.801) 22.654 1.709 ( 4.575 0.000 35.498) 35.792 2.089 ( 2.342 0.000 -2.817) 3.663 2.121 ( -0.488 0.000 4.458) 4.484 2.577 ( -3.345 0.000 7.180) 7.921 2.779 ( -2.010 0.000 -8.416) 8.653 2.866 ( -6.223 0.000 -8.604) 10.618 3.748 ( -1.164 0.000 -3.946) 4.115 4.364 ( 0.738 0.000 0.731) 1.039 4.389 ( 2.973 0.000 -14.832) 15.127 4.698 ( 0.021 0.000 1.116) 1.116 5.373 ( -0.107 0.000 0.320) 0.337 6.010 ( -0.375 0.000 1.206) 1.263 6.119 ( 0.272 0.000 0.566) 0.628 6.543 ( 1.468 0.000 0.193) 1.480 7.673 ( 0.110 0.000 -0.382) 0.398 8.066 ( -0.541 0.000 -3.488) 3.530 8.539 ( 0.699 0.000 -0.431) 0.822 9.013 ( 6.464 0.000 0.082) 6.464 9.217 ( -5.664 0.000 3.003) 6.411 9.297 ( 0.331 0.000 0.149) 0.363 9.402 ( 2.478 0.000 -1.637) 2.970 9.767 ( -2.851 0.000 -1.583) 3.261 10.451 ( 0.599 0.000 0.646) 0.881 10.564 ( -1.543 0.000 1.936) 2.475 10.805 ( 0.825 0.000 -0.707) 1.086 11.287 ( 2.185 0.000 -0.558) 2.255 11.371 ( 1.895 0.000 -1.370) 2.339 11.609 ( 2.657 0.000 1.180) 2.907 11.898 ( -9.618 0.000 -3.876) 10.370 12.347 ( -2.136 0.000 4.973) 5.412 12.456 ( -0.951 0.000 -0.477) 1.064 12.732 ( 4.108 0.000 -0.725) 4.171 13.262 ( -0.217 0.000 -0.115) 0.246 13.760 ( -23.187 0.000 -0.911) 23.204 13.816 ( -0.150 0.000 0.979) 0.991 14.250 ( -0.735 0.000 0.608) 0.954 14.383 ( -0.384 0.000 0.183) 0.426 14.527 ( -0.799 0.000 0.733) 1.084 15.413 ( 0.771 0.000 5.411) 5.466 15.824 ( -0.638 0.000 -1.543) 1.670 15.871 ( -2.941 0.000 -0.307) 2.957 16.238 ( 26.138 0.000 0.171) 26.139 16.481 ( 3.663 0.000 2.097) 4.221 16.548 ( -3.511 0.000 -0.949) 3.637 17.360 ( -2.988 0.000 -1.144) 3.199 18.425 ( 2.832 0.000 3.896) 4.817 18.609 ( 0.850 0.000 -0.744) 1.129 19.195 ( 1.164 0.000 0.639) 1.328 20.410 ( 1.340 0.000 -0.036) 1.340 20.660 ( -10.028 0.000 -11.073) 14.939 20.847 ( -3.741 0.000 -1.796) 4.150 21.203 ( -6.475 0.000 8.091) 10.363 21.423 ( -0.540 0.000 7.862) 7.881 22.015 ( 2.428 0.000 7.902) 8.267 22.083 ( 0.800 0.000 -5.039) 5.102 22.635 ( 12.377 0.000 -13.704) 18.466 24.295 ( -0.802 0.000 2.510) 2.635 24.504 ( -1.680 0.000 -0.258) 1.700 107.991 ( -0.238 0.000 0.216) 0.322 108.282 ( -4.359 0.000 0.219) 4.364 108.878 ( 0.354 0.000 0.465) 0.585 108.963 ( -0.025 0.000 -0.823) 0.824 109.111 ( -0.596 0.000 0.407) 0.721 109.200 ( 4.226 0.000 -1.277) 4.414 ======================= Grid point 127 (58/148) ======================= q-point: ( 0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( 16.389 0.000 8.610) 18.513 0.969 ( 6.526 0.000 20.107) 21.140 2.017 ( 17.474 0.000 23.808) 29.532 2.117 ( 2.103 0.000 11.248) 11.443 2.153 ( 3.699 0.000 -2.072) 4.239 2.517 ( -2.417 0.000 7.219) 7.613 2.743 ( -0.693 0.000 -8.431) 8.459 2.921 ( 11.529 0.000 -11.265) 16.119 3.761 ( 2.590 0.000 -6.371) 6.877 4.234 ( -12.174 0.000 1.065) 12.221 4.405 ( 1.119 0.000 -10.120) 10.182 4.692 ( -0.797 0.000 1.022) 1.296 5.326 ( -4.001 0.000 0.158) 4.004 5.938 ( -7.386 0.000 0.860) 7.436 6.095 ( -2.522 0.000 0.451) 2.562 6.514 ( -4.146 0.000 0.140) 4.148 7.647 ( -2.651 0.000 -0.301) 2.668 8.040 ( -1.412 0.000 -3.345) 3.631 8.538 ( 0.135 0.000 -0.818) 0.829 8.974 ( -11.053 0.000 -1.579) 11.166 9.128 ( -0.377 0.000 4.308) 4.324 9.330 ( 1.688 0.000 0.177) 1.697 9.372 ( -4.800 0.000 -2.761) 5.538 9.823 ( 6.643 0.000 -1.390) 6.787 10.491 ( 4.300 0.000 1.721) 4.631 10.643 ( 7.555 0.000 0.691) 7.587 10.678 ( -9.748 0.000 0.307) 9.753 11.317 ( -2.898 0.000 -1.899) 3.464 11.412 ( 2.044 0.000 -0.941) 2.250 11.506 ( -11.615 0.000 -0.789) 11.642 11.759 ( 0.450 0.000 5.729) 5.746 12.239 ( -1.096 0.000 -3.213) 3.395 12.448 ( 0.344 0.000 -0.588) 0.681 12.944 ( 4.495 0.000 2.798) 5.294 13.211 ( -4.703 0.000 -0.111) 4.704 13.630 ( 5.417 0.000 7.492) 9.245 13.733 ( -6.753 0.000 0.631) 6.782 14.341 ( 7.424 0.000 -0.666) 7.454 14.362 ( 2.082 0.000 1.480) 2.554 14.586 ( 5.402 0.000 1.035) 5.500 15.455 ( 1.857 0.000 5.323) 5.638 15.745 ( -5.910 0.000 -1.543) 6.108 15.881 ( 2.712 0.000 0.566) 2.770 16.319 ( -6.713 0.000 0.160) 6.715 16.623 ( 14.347 0.000 -18.765) 23.622 16.848 ( 18.457 0.000 0.925) 18.480 17.440 ( 9.143 0.000 -0.124) 9.144 18.501 ( 4.000 0.000 4.302) 5.875 18.540 ( -6.071 0.000 4.766) 7.718 19.229 ( 1.853 0.000 1.090) 2.150 20.441 ( 1.650 0.000 -1.537) 2.255 20.477 ( -3.761 0.000 -9.808) 10.504 20.766 ( -3.659 0.000 -1.455) 3.937 21.171 ( 0.832 0.000 8.675) 8.715 21.414 ( -0.820 0.000 7.690) 7.734 22.065 ( -2.140 0.000 -4.712) 5.175 22.079 ( 2.186 0.000 6.990) 7.324 22.723 ( -3.109 0.000 -15.720) 16.025 24.328 ( 3.006 0.000 2.918) 4.189 24.481 ( -0.555 0.000 -1.114) 1.244 107.987 ( -0.091 0.000 0.145) 0.172 108.187 ( -3.777 0.000 3.281) 5.003 108.885 ( 0.263 0.000 0.451) 0.522 108.956 ( -0.566 0.000 -0.895) 1.059 109.110 ( 0.424 0.000 0.259) 0.497 109.292 ( 3.546 0.000 -4.179) 5.480 ======================= Grid point 128 (59/148) ======================= q-point: ( 0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 8.662 0.000 14.890) 17.226 1.272 ( 20.491 0.000 4.527) 20.985 2.076 ( -1.039 0.000 0.091) 1.043 2.224 ( 2.886 0.000 -1.686) 3.342 2.409 ( 9.901 0.000 19.222) 21.622 2.503 ( 0.553 0.000 4.839) 4.871 2.737 ( 0.664 0.000 -6.974) 7.006 3.289 ( 21.628 0.000 -5.770) 22.385 3.870 ( 9.896 0.000 -5.489) 11.317 3.935 ( -15.020 0.000 1.419) 15.087 4.482 ( 7.451 0.000 -5.196) 9.084 4.659 ( -2.411 0.000 0.587) 2.482 5.219 ( -6.337 0.000 0.210) 6.340 5.699 ( -14.719 0.000 0.060) 14.719 6.026 ( -3.896 0.000 -0.233) 3.903 6.397 ( -6.132 0.000 0.546) 6.156 7.560 ( -5.416 0.000 -0.111) 5.417 8.016 ( -0.544 0.000 -3.432) 3.475 8.567 ( 2.697 0.000 -1.182) 2.945 8.713 ( -14.043 0.000 -2.017) 14.187 9.098 ( -2.849 0.000 3.369) 4.412 9.243 ( -6.371 0.000 -4.282) 7.676 9.334 ( -1.406 0.000 0.255) 1.429 9.933 ( 2.269 0.000 -1.748) 2.865 10.555 ( -0.096 0.000 2.132) 2.134 10.638 ( 8.882 0.000 1.929) 9.089 10.832 ( 9.890 0.000 0.194) 9.892 10.981 ( -20.030 0.000 -2.691) 20.210 11.453 ( 2.121 0.000 -0.209) 2.131 11.512 ( 3.255 0.000 0.818) 3.356 11.797 ( 3.658 0.000 7.352) 8.211 12.248 ( 0.375 0.000 -3.807) 3.825 12.473 ( 2.115 0.000 -0.815) 2.267 12.997 ( 3.247 0.000 2.904) 4.356 13.070 ( -8.676 0.000 -0.088) 8.676 13.584 ( -6.943 0.000 0.226) 6.947 13.682 ( -2.171 0.000 7.790) 8.087 14.327 ( -1.369 0.000 2.449) 2.806 14.641 ( 13.111 0.000 0.580) 13.124 14.711 ( 5.827 0.000 1.329) 5.976 15.467 ( -0.711 0.000 4.033) 4.095 15.620 ( -5.126 0.000 -1.926) 5.476 15.974 ( 6.426 0.000 -1.967) 6.720 16.216 ( -3.695 0.000 -0.423) 3.719 16.901 ( 13.999 0.000 -25.784) 29.339 17.241 ( 18.472 0.000 1.641) 18.545 17.644 ( 9.147 0.000 1.564) 9.280 18.451 ( -1.816 0.000 9.082) 9.262 18.594 ( 4.464 0.000 4.365) 6.243 19.248 ( -0.993 0.000 4.054) 4.174 20.485 ( 3.354 0.000 -7.378) 8.104 20.492 ( 5.009 0.000 -11.002) 12.089 20.701 ( -2.473 0.000 0.247) 2.485 21.217 ( 2.898 0.000 5.286) 6.029 21.405 ( -0.574 0.000 7.560) 7.582 21.991 ( -4.561 0.000 -3.780) 5.924 22.093 ( -1.491 0.000 5.208) 5.417 22.537 ( -12.228 0.000 -9.548) 15.514 24.374 ( 0.281 0.000 3.285) 3.297 24.483 ( 1.305 0.000 -1.032) 1.664 107.989 ( 0.232 0.000 0.001) 0.232 108.134 ( -1.901 0.000 2.978) 3.533 108.889 ( 0.139 0.000 0.317) 0.347 108.939 ( -0.931 0.000 -0.976) 1.349 109.127 ( 1.148 0.000 0.367) 1.206 109.332 ( 0.902 0.000 -3.957) 4.059 ======================= Grid point 129 (60/148) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 9.656 0.000 4.606) 10.698 1.683 ( 17.657 0.000 1.589) 17.729 2.056 ( -0.590 0.000 1.135) 1.280 2.248 ( -0.910 0.000 -1.127) 1.448 2.501 ( 0.566 0.000 7.127) 7.150 2.548 ( 2.094 0.000 8.038) 8.306 2.760 ( 2.095 0.000 -4.705) 5.150 3.628 ( 11.088 0.000 -5.209) 12.251 3.671 ( -9.693 0.000 1.199) 9.767 4.148 ( 12.294 0.000 -1.572) 12.394 4.600 ( -3.019 0.000 0.008) 3.019 4.730 ( 17.108 0.000 -1.203) 17.150 5.053 ( -9.755 0.000 0.089) 9.756 5.404 ( -11.448 0.000 -0.300) 11.452 5.940 ( -4.074 0.000 -0.815) 4.154 6.304 ( -2.258 0.000 0.793) 2.393 7.455 ( -3.576 0.000 -0.258) 3.585 8.011 ( 0.352 0.000 -3.862) 3.878 8.353 ( -20.382 0.000 -1.731) 20.455 8.630 ( 2.981 0.000 -1.132) 3.189 9.042 ( -2.509 0.000 1.642) 2.998 9.132 ( -3.221 0.000 -5.147) 6.071 9.289 ( -2.403 0.000 0.192) 2.410 9.928 ( -1.478 0.000 -1.342) 1.996 10.480 ( -13.537 0.000 0.084) 13.537 10.786 ( 6.453 0.000 0.855) 6.509 10.824 ( 8.244 0.000 1.495) 8.378 11.010 ( 5.971 0.000 0.621) 6.003 11.515 ( 4.132 0.000 0.168) 4.135 11.564 ( 3.467 0.000 3.574) 4.979 11.859 ( -2.103 0.000 8.010) 8.281 12.284 ( 6.098 0.000 -1.865) 6.377 12.530 ( 3.135 0.000 -0.868) 3.253 12.868 ( -9.943 0.000 -0.089) 9.944 13.093 ( 4.358 0.000 -2.502) 5.025 13.461 ( -4.733 0.000 0.064) 4.733 13.609 ( -3.542 0.000 8.766) 9.454 14.260 ( -6.183 0.000 3.859) 7.289 14.813 ( 3.665 0.000 1.385) 3.918 14.826 ( 5.028 0.000 -0.949) 5.117 15.479 ( 2.297 0.000 0.806) 2.434 15.546 ( -1.776 0.000 -2.644) 3.185 16.117 ( 6.580 0.000 -1.748) 6.808 16.156 ( -2.077 0.000 -0.837) 2.239 17.112 ( 7.239 0.000 -23.547) 24.634 17.591 ( 14.693 0.000 1.938) 14.820 17.805 ( 6.230 0.000 3.153) 6.982 18.479 ( 2.948 0.000 7.633) 8.182 18.681 ( 3.053 0.000 5.013) 5.870 19.174 ( -6.516 0.000 6.524) 9.220 20.572 ( 4.888 0.000 -10.593) 11.666 20.631 ( 8.431 0.000 -10.024) 13.099 20.673 ( 0.457 0.000 -0.610) 0.762 21.298 ( 4.619 0.000 1.120) 4.753 21.411 ( 0.852 0.000 6.720) 6.773 21.875 ( -6.250 0.000 -1.869) 6.524 22.035 ( -3.904 0.000 3.945) 5.550 22.253 ( -13.720 0.000 -3.363) 14.126 24.344 ( -2.697 0.000 1.281) 2.986 24.532 ( 2.808 0.000 3.119) 4.197 107.995 ( 0.303 0.000 -0.007) 0.303 108.105 ( -1.114 0.000 2.099) 2.376 108.891 ( -0.018 0.000 0.155) 0.156 108.918 ( -0.880 0.000 -1.053) 1.372 109.154 ( 1.251 0.000 0.583) 1.380 109.336 ( 0.049 0.000 -3.094) 3.094 ======================= Grid point 130 (61/148) ======================= q-point: ( 0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 7.170 0.000 -4.142) 8.280 1.951 ( 6.534 0.000 -0.364) 6.544 2.065 ( 1.432 0.000 1.252) 1.902 2.192 ( -3.343 0.000 -0.589) 3.394 2.488 ( -2.495 0.000 6.172) 6.657 2.591 ( 1.798 0.000 9.043) 9.220 2.812 ( 2.769 0.000 -2.593) 3.793 3.541 ( -3.132 0.000 0.607) 3.190 3.808 ( 7.400 0.000 -3.396) 8.142 4.254 ( -1.128 0.000 -1.451) 1.838 4.549 ( -1.492 0.000 0.089) 1.495 4.865 ( -6.075 0.000 -1.241) 6.201 5.079 ( 11.726 0.000 0.092) 11.726 5.260 ( -2.772 0.000 0.375) 2.797 5.875 ( -1.689 0.000 -0.531) 1.771 6.293 ( 0.230 0.000 0.433) 0.490 7.455 ( 3.995 0.000 -0.423) 4.017 7.929 ( -17.445 0.000 -1.387) 17.500 8.021 ( 0.850 0.000 -4.238) 4.322 8.670 ( 0.651 0.000 -0.897) 1.108 8.977 ( -3.843 0.000 -1.313) 4.061 9.117 ( 1.409 0.000 -3.019) 3.332 9.253 ( -0.755 0.000 0.014) 0.755 9.887 ( -1.973 0.000 -0.666) 2.083 10.264 ( -4.211 0.000 -0.286) 4.221 10.944 ( 5.253 0.000 0.165) 5.256 10.966 ( 4.980 0.000 1.117) 5.104 11.058 ( -0.924 0.000 1.090) 1.429 11.601 ( 2.473 0.000 0.341) 2.496 11.712 ( -4.128 0.000 14.542) 15.116 11.726 ( 5.818 0.000 0.727) 5.863 12.493 ( 12.026 0.000 -0.933) 12.062 12.585 ( 1.804 0.000 -0.769) 1.961 12.704 ( -4.425 0.000 -0.202) 4.429 13.091 ( -4.479 0.000 -4.336) 6.234 13.391 ( -1.846 0.000 0.025) 1.846 13.619 ( 3.321 0.000 9.969) 10.507 14.087 ( -9.141 0.000 1.761) 9.309 14.866 ( 1.477 0.000 1.373) 2.017 14.881 ( 0.994 0.000 -3.061) 3.218 15.535 ( 0.630 0.000 -3.273) 3.333 15.540 ( 2.393 0.000 -0.650) 2.480 16.128 ( -0.543 0.000 -1.043) 1.176 16.214 ( 2.380 0.000 -0.643) 2.465 17.154 ( -1.288 0.000 -20.127) 20.168 17.834 ( 7.900 0.000 1.616) 8.063 17.907 ( 3.226 0.000 3.666) 4.883 18.542 ( 1.818 0.000 5.033) 5.352 18.703 ( -1.985 0.000 6.664) 6.953 19.022 ( -7.119 0.000 6.231) 9.461 20.609 ( -0.155 0.000 -1.952) 1.959 20.756 ( 6.417 0.000 -10.431) 12.246 20.790 ( 6.670 0.000 -8.981) 11.187 21.408 ( 6.036 0.000 -2.812) 6.659 21.462 ( 3.836 0.000 4.037) 5.569 21.737 ( -6.721 0.000 1.276) 6.841 21.960 ( -4.550 0.000 4.285) 6.250 21.998 ( -8.500 0.000 0.961) 8.554 24.289 ( -2.160 0.000 0.685) 2.266 24.589 ( 2.045 0.000 5.165) 5.555 108.000 ( 0.157 0.000 0.044) 0.163 108.092 ( -0.159 0.000 1.577) 1.585 108.885 ( -0.593 0.000 -0.201) 0.626 108.908 ( 0.033 0.000 -0.852) 0.852 109.176 ( 0.719 0.000 0.748) 1.038 109.333 ( -0.116 0.000 -2.622) 2.625 ======================= Grid point 131 (62/148) ======================= q-point: (-0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 4.183 0.000 -5.864) 7.203 1.898 ( -10.593 0.000 0.427) 10.602 2.092 ( 0.018 0.000 0.116) 0.117 2.163 ( -0.074 0.000 -1.574) 1.576 2.414 ( -4.607 0.000 8.932) 10.050 2.639 ( 1.953 0.000 7.542) 7.790 2.854 ( 1.405 0.000 -2.313) 2.706 3.531 ( 2.211 0.000 0.566) 2.283 3.926 ( 3.478 0.000 -0.252) 3.487 4.150 ( -7.792 0.000 -3.798) 8.668 4.541 ( 0.410 0.000 -0.132) 0.431 4.863 ( 6.153 0.000 -0.995) 6.233 5.096 ( -9.964 0.000 0.248) 9.967 5.278 ( 4.456 0.000 0.352) 4.470 5.877 ( 1.898 0.000 -0.549) 1.976 6.289 ( -0.835 0.000 0.456) 0.952 7.488 ( -3.723 0.000 -0.484) 3.754 7.848 ( 12.913 0.000 -1.354) 12.984 8.037 ( 0.940 0.000 -4.293) 4.395 8.651 ( -2.322 0.000 -0.830) 2.466 8.895 ( -3.166 0.000 -1.932) 3.709 9.153 ( 1.830 0.000 -1.714) 2.507 9.263 ( 1.607 0.000 0.025) 1.607 9.871 ( 0.479 0.000 -0.808) 0.940 10.328 ( 10.168 0.000 -0.932) 10.211 10.962 ( -3.638 0.000 0.196) 3.643 10.968 ( -4.996 0.000 1.199) 5.138 11.052 ( 0.477 0.000 0.952) 1.065 11.534 ( -6.671 0.000 6.168) 9.086 11.564 ( -5.714 0.000 0.354) 5.725 12.002 ( 11.671 0.000 9.509) 15.054 12.601 ( -0.209 0.000 -0.771) 0.799 12.704 ( 6.552 0.000 -1.089) 6.642 12.715 ( 5.207 0.000 -0.181) 5.210 12.988 ( -2.514 0.000 -5.098) 5.684 13.389 ( 1.619 0.000 0.034) 1.619 13.645 ( -2.787 0.000 10.751) 11.106 14.009 ( 3.952 0.000 2.743) 4.811 14.867 ( -2.120 0.000 -3.794) 4.346 14.881 ( -0.059 0.000 1.376) 1.377 15.544 ( -2.312 0.000 -1.351) 2.677 15.554 ( 1.246 0.000 -3.397) 3.619 16.132 ( 0.941 0.000 -0.992) 1.367 16.202 ( -3.709 0.000 -0.871) 3.809 17.036 ( -8.525 0.000 -18.683) 20.536 17.880 ( -4.540 0.000 1.861) 4.907 17.939 ( -0.459 0.000 3.463) 3.493 18.548 ( -1.562 0.000 3.915) 4.215 18.613 ( -6.001 0.000 5.836) 8.371 18.945 ( -0.410 0.000 6.152) 6.165 20.588 ( -1.755 0.000 -3.318) 3.753 20.860 ( 0.593 0.000 -9.233) 9.252 20.865 ( 4.464 0.000 -8.052) 9.207 21.547 ( 0.274 0.000 2.564) 2.578 21.548 ( 7.587 0.000 -4.116) 8.631 21.640 ( 1.139 0.000 2.460) 2.711 21.815 ( -5.379 0.000 5.291) 7.545 21.971 ( 1.544 0.000 1.647) 2.258 24.267 ( 0.028 0.000 0.477) 0.478 24.620 ( 0.530 0.000 5.393) 5.419 108.000 ( -0.140 0.000 0.076) 0.160 108.105 ( 1.314 0.000 1.511) 2.002 108.872 ( -0.521 0.000 -0.349) 0.626 108.914 ( 0.579 0.000 -0.704) 0.911 109.183 ( -0.112 0.000 0.870) 0.877 109.326 ( -0.469 0.000 -2.735) 2.775 ======================= Grid point 132 (63/148) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( -18.924 0.000 2.564) 19.097 1.680 ( -0.634 0.000 -1.315) 1.460 2.038 ( -4.582 0.000 0.941) 4.677 2.145 ( -1.679 0.000 -2.962) 3.405 2.326 ( -5.221 0.000 11.632) 12.749 2.676 ( 1.065 0.000 4.637) 4.758 2.874 ( 0.771 0.000 -3.639) 3.720 3.649 ( 9.431 0.000 1.159) 9.502 3.888 ( -11.679 0.000 -2.896) 12.033 3.971 ( -5.158 0.000 -1.752) 5.447 4.562 ( 1.750 0.000 -0.299) 1.776 4.774 ( -17.512 0.000 -0.928) 17.536 5.049 ( 9.517 0.000 0.384) 9.525 5.455 ( 12.566 0.000 -0.292) 12.569 5.939 ( 3.654 0.000 -1.003) 3.789 6.273 ( 0.210 0.000 1.009) 1.031 7.458 ( 1.916 0.000 -0.783) 2.070 8.050 ( 0.577 0.000 -3.961) 4.002 8.232 ( 20.038 0.000 -1.679) 20.108 8.584 ( -3.645 0.000 -0.987) 3.776 8.887 ( 3.489 0.000 -0.622) 3.544 9.190 ( 2.086 0.000 -1.232) 2.423 9.308 ( 2.344 0.000 0.207) 2.354 9.889 ( 1.189 0.000 -1.435) 1.864 10.643 ( 18.538 0.000 -2.127) 18.659 10.814 ( -9.372 0.000 1.833) 9.550 10.824 ( -8.720 0.000 1.470) 8.843 11.007 ( -5.179 0.000 0.548) 5.208 11.430 ( -5.595 0.000 0.177) 5.597 11.473 ( -0.035 0.000 3.239) 3.239 12.097 ( -3.683 0.000 6.950) 7.866 12.573 ( -2.126 0.000 -0.863) 2.295 12.773 ( -0.583 0.000 -0.967) 1.129 12.884 ( 9.828 0.000 -0.057) 9.828 12.952 ( -1.134 0.000 -5.204) 5.326 13.456 ( 4.732 0.000 0.077) 4.732 13.681 ( 7.967 0.000 7.025) 10.622 14.211 ( 14.017 0.000 13.797) 19.668 14.788 ( -5.043 0.000 -3.280) 6.016 14.858 ( -2.652 0.000 1.391) 2.994 15.442 ( -7.004 0.000 -2.774) 7.533 15.585 ( 2.276 0.000 -2.933) 3.713 16.052 ( -10.623 0.000 -3.833) 11.293 16.163 ( 2.117 0.000 -0.686) 2.225 16.770 ( -15.634 0.000 -17.667) 23.592 17.655 ( -16.114 0.000 2.772) 16.350 17.892 ( -4.481 0.000 2.674) 5.218 18.498 ( -2.900 0.000 4.081) 5.006 18.499 ( -5.108 0.000 2.723) 5.789 19.001 ( 4.542 0.000 6.743) 8.130 20.526 ( -3.710 0.000 -5.819) 6.901 20.825 ( -2.323 0.000 -8.766) 9.069 20.928 ( 2.088 0.000 -4.070) 4.574 21.482 ( -3.585 0.000 7.790) 8.575 21.653 ( -0.261 0.000 1.576) 1.598 21.775 ( 8.144 0.000 -2.898) 8.644 21.815 ( 7.339 0.000 -0.409) 7.350 22.020 ( 2.378 0.000 -0.488) 2.427 24.288 ( 1.720 0.000 0.184) 1.730 24.620 ( -0.796 0.000 4.235) 4.309 107.997 ( -0.173 0.000 0.092) 0.196 108.150 ( 2.837 0.000 1.773) 3.346 108.865 ( -0.160 0.000 -0.184) 0.244 108.929 ( 0.813 0.000 -0.714) 1.081 109.173 ( -0.819 0.000 0.963) 1.265 109.304 ( -1.501 0.000 -3.357) 3.678 ======================= Grid point 133 (64/148) ======================= q-point: (-0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( -20.462 0.000 5.507) 21.190 1.552 ( -12.230 0.000 9.178) 15.290 1.952 ( -4.886 0.000 -0.722) 4.939 2.098 ( -2.128 0.000 -3.792) 4.348 2.188 ( -8.099 0.000 17.821) 19.575 2.685 ( -0.722 0.000 2.752) 2.845 2.871 ( -0.875 0.000 -5.428) 5.498 3.519 ( -19.859 0.000 -5.583) 20.629 3.895 ( -3.302 0.000 1.143) 3.495 3.914 ( 15.008 0.000 1.359) 15.070 4.461 ( -11.389 0.000 -7.214) 13.482 4.614 ( 3.078 0.000 0.461) 3.113 5.216 ( 6.523 0.000 0.406) 6.535 5.748 ( 13.647 0.000 0.035) 13.647 6.014 ( 3.550 0.000 -0.664) 3.612 6.333 ( 5.416 0.000 1.038) 5.515 7.541 ( 5.127 0.000 -0.640) 5.167 8.056 ( 0.415 0.000 -3.488) 3.513 8.518 ( -2.111 0.000 -1.051) 2.359 8.581 ( 13.300 0.000 -2.088) 13.463 9.048 ( 10.524 0.000 1.949) 10.703 9.245 ( 3.308 0.000 -1.107) 3.488 9.343 ( 0.581 0.000 0.269) 0.640 9.917 ( 1.121 0.000 -1.700) 2.037 10.626 ( -9.520 0.000 1.526) 9.642 10.636 ( -5.533 0.000 1.470) 5.725 10.859 ( -8.379 0.000 0.616) 8.402 11.030 ( 16.814 0.000 -2.459) 16.993 11.355 ( -1.871 0.000 -0.305) 1.895 11.502 ( 1.531 0.000 1.458) 2.114 11.970 ( -5.276 0.000 4.469) 6.914 12.525 ( -2.180 0.000 -0.827) 2.331 12.576 ( -14.375 0.000 -4.518) 15.069 13.000 ( 1.780 0.000 1.897) 2.601 13.082 ( 8.546 0.000 -0.063) 8.546 13.581 ( 7.118 0.000 0.225) 7.121 13.906 ( 11.241 0.000 -0.795) 11.269 14.521 ( 3.510 0.000 9.074) 9.729 14.750 ( 9.600 0.000 14.453) 17.351 14.765 ( -6.295 0.000 1.326) 6.433 15.267 ( -7.862 0.000 -9.125) 12.045 15.656 ( 4.827 0.000 -2.197) 5.303 15.759 ( -16.044 0.000 -8.087) 17.967 16.217 ( 3.169 0.000 -0.189) 3.174 16.387 ( -18.653 0.000 -12.250) 22.315 17.270 ( -20.054 0.000 2.205) 20.175 17.750 ( -9.365 0.000 1.306) 9.456 18.414 ( -2.986 0.000 2.181) 3.697 18.469 ( 0.522 0.000 4.136) 4.169 19.105 ( 4.259 0.000 5.384) 6.865 20.443 ( -3.317 0.000 -5.428) 6.361 20.782 ( -0.844 0.000 -7.369) 7.417 20.945 ( -0.267 0.000 -1.864) 1.883 21.437 ( -1.489 0.000 8.758) 8.884 21.589 ( -5.160 0.000 1.024) 5.260 21.930 ( 6.734 0.000 -4.482) 8.089 22.032 ( 7.417 0.000 -9.354) 11.938 22.049 ( 4.705 0.000 5.528) 7.259 24.324 ( 1.324 0.000 -0.083) 1.327 24.596 ( -1.810 0.000 1.979) 2.682 107.994 ( -0.042 0.000 0.133) 0.140 108.224 ( 4.078 0.000 1.726) 4.428 108.865 ( 0.154 0.000 0.079) 0.173 108.945 ( 0.792 0.000 -0.737) 1.082 109.153 ( -1.149 0.000 0.967) 1.502 109.254 ( -3.129 0.000 -3.757) 4.890 ======================= Grid point 134 (65/148) ======================= q-point: (-0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( -14.729 0.000 9.797) 17.690 1.213 ( -20.065 0.000 15.889) 25.594 1.766 ( -10.364 0.000 21.590) 23.948 2.068 ( -0.159 0.000 -3.601) 3.604 2.119 ( -0.414 0.000 8.756) 8.765 2.644 ( -3.263 0.000 4.025) 5.182 2.832 ( -2.208 0.000 -7.209) 7.539 3.133 ( -16.410 0.000 -7.308) 17.964 3.816 ( -4.455 0.000 -0.100) 4.456 4.215 ( 12.297 0.000 0.933) 12.332 4.335 ( 0.562 0.000 -12.951) 12.963 4.675 ( 2.273 0.000 1.107) 2.528 5.327 ( 4.109 0.000 0.229) 4.115 5.958 ( 5.919 0.000 0.825) 5.976 6.083 ( 2.911 0.000 0.060) 2.912 6.462 ( 5.847 0.000 0.575) 5.875 7.636 ( 3.515 0.000 -0.445) 3.543 8.066 ( 0.655 0.000 -3.406) 3.468 8.509 ( 1.223 0.000 -0.694) 1.406 8.822 ( 10.830 0.000 -0.844) 10.863 9.226 ( 4.640 0.000 3.216) 5.646 9.322 ( 4.157 0.000 -1.184) 4.323 9.325 ( -2.044 0.000 0.190) 2.053 9.881 ( -5.095 0.000 -1.122) 5.217 10.477 ( -4.188 0.000 1.153) 4.344 10.662 ( 7.926 0.000 -0.192) 7.929 10.681 ( -8.231 0.000 1.356) 8.342 11.258 ( 3.542 0.000 -0.546) 3.584 11.343 ( 0.628 0.000 -1.074) 1.244 11.529 ( 3.247 0.000 -0.654) 3.312 11.981 ( 3.523 0.000 3.312) 4.836 12.301 ( -7.815 0.000 -2.152) 8.106 12.485 ( -1.666 0.000 -0.622) 1.779 12.926 ( -9.777 0.000 2.201) 10.021 13.219 ( 4.407 0.000 -0.101) 4.408 13.735 ( 6.845 0.000 0.610) 6.872 14.095 ( 4.658 0.000 -4.840) 6.717 14.426 ( -5.688 0.000 -0.479) 5.709 14.578 ( -31.011 0.000 -8.655) 32.196 14.619 ( -6.989 0.000 1.049) 7.067 15.429 ( 2.710 0.000 6.961) 7.470 15.609 ( 22.332 0.000 6.526) 23.266 15.768 ( 5.287 0.000 -1.720) 5.560 16.042 ( -12.790 0.000 -4.340) 13.506 16.306 ( 6.026 0.000 0.425) 6.041 16.862 ( -18.637 0.000 1.045) 18.666 17.527 ( -11.036 0.000 -0.207) 11.038 18.387 ( 0.290 0.000 2.969) 2.983 18.531 ( 4.679 0.000 1.995) 5.086 19.170 ( 1.672 0.000 2.726) 3.198 20.398 ( -0.518 0.000 -2.418) 2.473 20.770 ( -0.699 0.000 -7.736) 7.768 20.915 ( -2.441 0.000 -1.433) 2.831 21.424 ( -11.163 0.000 -1.432) 11.255 21.426 ( -0.477 0.000 8.333) 8.347 22.004 ( -1.847 0.000 3.196) 3.691 22.038 ( 3.940 0.000 -4.990) 6.358 22.329 ( 15.430 0.000 -4.419) 16.050 24.327 ( -1.159 0.000 0.328) 1.205 24.550 ( -2.519 0.000 0.038) 2.519 107.994 ( -0.041 0.000 0.194) 0.199 108.303 ( 2.487 0.000 -0.142) 2.491 108.870 ( 0.330 0.000 0.327) 0.464 108.958 ( 0.486 0.000 -0.770) 0.910 109.130 ( -1.050 0.000 0.815) 1.329 109.182 ( -2.504 0.000 -1.917) 3.153 ======================= Grid point 135 (66/148) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( -4.754 21.090 11.514) 24.494 1.028 ( -1.214 12.673 17.243) 21.434 1.686 ( 2.777 1.065 26.598) 26.764 2.102 ( 1.145 0.222 0.081) 1.169 2.214 ( 3.031 7.406 6.549) 10.341 2.490 ( -3.820 -7.251 6.267) 10.317 2.779 ( -2.607 -1.137 -7.214) 7.755 2.848 ( -5.618 -1.671 -8.198) 10.078 3.625 ( -2.312 -11.095 -4.907) 12.350 4.069 ( 7.104 -16.165 -4.629) 18.254 4.629 ( -2.900 10.961 -6.268) 12.955 4.749 ( 1.011 4.204 -0.946) 4.426 5.503 ( -0.357 12.371 0.435) 12.384 6.029 ( -0.208 1.854 0.952) 2.094 6.158 ( 0.421 3.928 0.802) 4.031 6.542 ( 1.103 -0.167 0.569) 1.252 7.704 ( -0.033 2.982 -0.424) 3.012 7.999 ( -0.482 -6.534 -2.745) 7.104 8.377 ( 1.184 -13.217 -0.920) 13.302 9.010 ( 2.692 -2.615 0.073) 3.754 9.162 ( -3.885 -5.636 3.208) 7.560 9.205 ( 2.250 -8.286 -0.096) 8.587 9.437 ( 0.653 4.357 -2.262) 4.952 9.907 ( -1.071 11.872 -0.995) 11.962 10.424 ( 0.979 -1.014 -0.046) 1.410 10.544 ( -2.218 -0.936 1.014) 2.612 10.917 ( 1.297 9.435 -0.285) 9.528 11.201 ( 0.861 -8.350 -0.353) 8.401 11.391 ( 1.989 0.969 -0.329) 2.237 11.625 ( 2.374 1.227 0.488) 2.716 11.879 ( -12.716 -1.090 -3.342) 13.193 12.244 ( 4.087 -3.774 -0.167) 5.566 12.593 ( -5.192 8.043 3.214) 10.099 12.734 ( 3.252 0.303 -0.324) 3.282 13.298 ( 0.789 2.243 0.390) 2.410 13.683 ( -15.326 -8.459 3.485) 17.849 13.825 ( -0.261 0.890 0.748) 1.191 14.080 ( -6.363 -9.352 -1.646) 11.431 14.309 ( 0.230 -0.852 0.439) 0.986 14.830 ( -1.215 12.506 4.745) 13.431 15.385 ( -1.122 -5.988 5.226) 8.026 15.644 ( 5.892 -9.144 -1.983) 11.057 15.797 ( 2.564 -5.467 -2.682) 6.607 16.189 ( 12.065 1.869 2.416) 12.446 16.568 ( -5.062 7.004 -0.354) 8.649 16.768 ( 7.237 14.047 -2.188) 15.953 17.372 ( -2.565 1.333 -0.814) 3.004 18.165 ( -0.575 -17.778 4.682) 18.394 18.665 ( 5.441 6.331 8.085) 11.622 19.488 ( 3.578 18.492 -10.953) 21.789 20.408 ( 2.009 -0.785 -2.861) 3.584 20.529 ( -3.165 -16.789 2.158) 17.220 20.818 ( -12.567 7.049 -13.036) 19.431 21.379 ( -7.602 4.781 3.744) 9.730 21.460 ( 0.788 10.122 6.635) 12.128 22.004 ( 2.698 -0.801 5.927) 6.561 22.084 ( 0.631 -0.132 -2.203) 2.295 22.587 ( 11.003 -4.555 -10.467) 15.855 24.290 ( -0.354 -0.375 2.354) 2.410 24.485 ( -1.504 -1.913 -0.302) 2.452 107.996 ( -0.192 0.538 0.322) 0.656 108.229 ( -2.890 -4.252 1.951) 5.499 108.931 ( -0.407 4.208 -1.505) 4.487 108.970 ( -0.017 0.728 -0.724) 1.027 109.108 ( -0.519 -0.338 0.345) 0.710 109.190 ( 3.493 -0.972 -1.144) 3.802 ======================= Grid point 136 (67/148) ======================= q-point: ( 0.11 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 5.870 9.562 14.402) 18.256 1.139 ( 8.855 13.596 14.948) 22.061 1.937 ( 14.917 -2.284 13.721) 20.396 2.108 ( 0.015 0.111 2.254) 2.257 2.323 ( 6.599 10.329 10.316) 16.020 2.425 ( -2.453 -8.376 7.396) 11.441 2.729 ( 0.702 -1.795 -7.012) 7.272 2.905 ( 9.961 -1.278 -10.148) 14.277 3.609 ( 1.690 -11.329 -5.337) 12.637 4.227 ( 8.270 -8.778 -2.759) 12.372 4.438 ( -13.298 9.684 -5.643) 17.391 4.738 ( -1.903 2.941 -0.553) 3.546 5.424 ( -6.458 9.306 0.003) 11.327 5.944 ( -8.864 0.619 0.629) 8.907 6.128 ( -3.154 3.363 0.621) 4.652 6.514 ( -3.886 -0.173 0.749) 3.961 7.659 ( -4.001 1.147 -0.245) 4.169 7.987 ( -0.228 -5.153 -2.700) 5.822 8.417 ( 3.287 -9.401 -1.438) 10.062 8.937 ( -9.241 -5.964 -1.093) 11.053 9.098 ( -1.870 -3.789 3.599) 5.550 9.283 ( 4.603 -3.939 0.961) 6.134 9.405 ( -3.372 4.928 -4.111) 7.250 9.971 ( 4.914 12.984 -1.023) 13.920 10.497 ( 4.318 0.306 1.556) 4.599 10.524 ( 0.642 -5.226 -0.359) 5.278 10.786 ( -6.459 5.013 0.626) 8.200 11.247 ( 0.264 -5.750 -0.241) 5.761 11.430 ( -14.934 -1.304 -0.996) 15.024 11.525 ( 3.976 2.049 -1.357) 4.674 11.732 ( 2.206 -0.774 3.571) 4.269 12.271 ( -2.790 3.295 -2.123) 4.811 12.462 ( -0.851 1.283 -0.514) 1.623 12.898 ( 3.155 -3.332 2.679) 5.314 13.275 ( -3.849 4.613 0.626) 6.040 13.581 ( 3.424 -4.532 7.058) 9.060 13.745 ( -6.140 0.724 0.911) 6.249 14.050 ( 1.912 -16.250 0.506) 16.370 14.359 ( 5.950 0.039 1.318) 6.094 14.859 ( 3.521 12.344 2.998) 13.182 15.358 ( -1.847 -8.686 3.161) 9.426 15.731 ( 2.885 -4.319 -0.478) 5.216 15.858 ( 4.176 2.823 -2.646) 5.693 16.319 ( -4.933 -1.514 1.607) 5.405 16.611 ( 15.643 5.967 -9.949) 19.475 17.009 ( 13.208 9.938 -4.366) 17.096 17.444 ( 8.415 0.570 0.427) 8.445 18.163 ( 0.298 -16.923 6.281) 18.054 18.787 ( 4.834 10.546 7.823) 13.992 19.467 ( -4.306 19.132 -8.343) 21.311 20.424 ( -3.271 -7.133 -4.892) 9.248 20.460 ( 0.766 -1.592 -3.400) 3.832 20.632 ( -2.474 -3.400 -1.821) 4.582 21.255 ( -5.002 0.347 3.627) 6.188 21.490 ( 1.164 10.943 6.399) 12.730 22.054 ( -0.037 -0.772 -0.753) 1.080 22.079 ( 0.067 -0.163 3.575) 3.579 22.678 ( -1.819 -4.468 -12.376) 13.283 24.323 ( 2.711 -0.433 2.609) 3.787 24.462 ( -0.672 -1.870 -0.930) 2.194 107.993 ( -0.080 0.609 0.222) 0.653 108.165 ( -2.803 -1.978 3.168) 4.670 108.918 ( -0.469 3.014 -0.332) 3.068 108.964 ( -0.521 0.788 -0.793) 1.233 109.107 ( 0.432 -0.267 0.199) 0.545 109.268 ( 3.172 -2.259 -3.349) 5.136 ======================= Grid point 137 (68/148) ======================= q-point: ( 0.22 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( 9.158 1.900 12.519) 15.627 1.417 ( 16.017 11.130 8.267) 21.184 2.053 ( -1.136 -2.761 0.384) 3.010 2.199 ( 5.125 -1.319 1.516) 5.505 2.380 ( -0.511 -6.204 7.979) 10.120 2.483 ( 4.293 1.282 7.095) 8.392 2.794 ( 5.026 5.038 -3.843) 8.087 3.214 ( 16.797 -6.529 -6.065) 19.015 3.729 ( 11.598 -5.977 -0.969) 13.084 4.145 ( -12.138 11.622 -4.203) 17.322 4.415 ( 9.437 -4.557 -2.984) 10.896 4.692 ( -1.622 1.517 -0.255) 2.235 5.267 ( -8.232 4.761 -0.185) 9.512 5.666 ( -16.865 -2.683 -0.128) 17.078 6.037 ( -5.381 1.111 -0.050) 5.494 6.397 ( -6.614 -0.514 1.367) 6.774 7.561 ( -4.747 0.566 -0.041) 4.781 7.994 ( 1.201 -1.902 -2.931) 3.695 8.508 ( 4.569 -4.300 -1.818) 6.532 8.699 ( -12.749 -3.574 -1.705) 13.350 9.070 ( -1.501 -2.290 3.416) 4.378 9.279 ( -5.264 2.060 -4.174) 7.027 9.357 ( -0.937 3.950 -0.704) 4.120 10.028 ( 0.014 9.484 -1.194) 9.559 10.440 ( -2.177 -8.480 0.805) 8.792 10.691 ( 9.794 2.910 1.584) 10.339 10.809 ( 3.873 -2.622 0.276) 4.685 10.986 ( -15.389 0.258 -1.901) 15.508 11.324 ( 2.206 -6.839 1.825) 7.414 11.657 ( 4.916 6.735 0.296) 8.344 11.811 ( 4.429 1.108 5.489) 7.140 12.178 ( -3.361 -3.145 -1.864) 4.965 12.511 ( 3.268 2.064 -2.104) 4.401 12.901 ( -1.174 -6.315 1.421) 6.579 13.170 ( -5.400 6.451 2.211) 8.698 13.571 ( -5.203 -1.594 -0.040) 5.441 13.655 ( -3.167 -2.410 6.749) 7.835 14.073 ( -0.463 -18.192 2.118) 18.321 14.572 ( 11.531 -1.164 1.639) 11.705 14.955 ( 4.897 9.401 1.513) 10.708 15.317 ( -1.913 -6.644 0.257) 6.919 15.762 ( 1.051 5.662 0.183) 5.762 15.992 ( 7.907 2.673 -1.950) 8.571 16.197 ( -5.065 1.040 0.169) 5.173 16.958 ( 16.293 5.522 -17.963) 24.872 17.299 ( 14.431 4.566 -2.082) 15.278 17.646 ( 9.584 0.266 2.023) 9.799 18.199 ( 2.781 -14.907 7.349) 16.851 18.857 ( 1.511 15.299 6.438) 16.667 19.357 ( -5.298 10.902 0.427) 12.129 20.381 ( 0.682 -9.119 -5.898) 10.882 20.526 ( 5.350 0.649 -9.516) 10.936 20.639 ( 1.859 -2.902 -0.391) 3.468 21.172 ( -3.067 -6.128 3.130) 7.534 21.519 ( 1.320 11.323 5.698) 12.745 21.996 ( -4.173 0.697 -3.102) 5.247 22.081 ( -1.479 -1.170 5.058) 5.398 22.530 ( -10.274 -0.981 -7.787) 12.929 24.363 ( 0.134 -1.016 2.899) 3.075 24.463 ( 1.233 -2.005 -0.737) 2.466 107.994 ( 0.170 0.540 0.068) 0.570 108.123 ( -1.634 -1.042 2.696) 3.320 108.911 ( -0.227 2.131 0.012) 2.143 108.948 ( -0.869 0.908 -0.880) 1.535 109.124 ( 1.123 -0.292 0.312) 1.202 109.307 ( 1.008 -2.430 -3.392) 4.293 ======================= Grid point 138 (69/148) ======================= q-point: ( 0.33 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 10.263 0.802 4.017) 11.050 1.759 ( 15.014 6.724 2.631) 16.660 2.030 ( -0.443 -2.679 1.815) 3.266 2.239 ( -0.799 -0.964 -0.506) 1.351 2.389 ( 0.761 -8.501 7.969) 11.677 2.534 ( 0.651 -0.779 4.935) 5.039 2.897 ( 4.826 10.691 -4.095) 12.424 3.440 ( 5.705 -9.069 -3.066) 11.144 3.895 ( -1.556 12.314 -1.702) 12.528 4.122 ( 11.339 -2.575 -1.006) 11.672 4.535 ( 0.310 -3.732 -1.187) 3.929 4.775 ( 11.458 1.562 -0.552) 11.577 5.091 ( -8.294 3.552 0.072) 9.023 5.323 ( -13.488 -6.893 -0.933) 15.176 5.915 ( -5.936 -2.249 -0.668) 6.383 6.288 ( -3.202 -2.217 1.281) 4.099 7.488 ( -1.709 3.705 -0.099) 4.081 8.029 ( 2.190 1.858 -3.372) 4.429 8.339 ( -18.603 -1.906 -1.497) 18.760 8.623 ( 2.940 -1.050 -1.576) 3.498 9.036 ( -2.010 -0.579 1.921) 2.840 9.171 ( -3.799 3.145 -5.445) 7.346 9.307 ( -2.919 2.803 -0.039) 4.047 9.985 ( -3.331 5.763 -0.845) 6.710 10.415 ( -6.084 -7.369 0.708) 9.582 10.656 ( -0.819 -5.749 -0.422) 5.822 10.893 ( 5.406 -1.079 0.806) 5.571 11.004 ( 6.887 1.169 1.175) 7.084 11.433 ( 8.138 -3.058 2.888) 9.161 11.710 ( 1.287 7.441 3.605) 8.368 11.844 ( -3.692 -0.742 4.895) 6.176 12.215 ( 7.754 -4.001 -0.995) 8.782 12.571 ( 2.996 2.386 -1.168) 4.004 12.835 ( -5.850 -3.541 -1.055) 6.920 13.109 ( -0.606 1.661 0.470) 1.829 13.464 ( -4.172 -0.100 -1.032) 4.299 13.583 ( -3.102 -2.404 7.293) 8.282 14.021 ( -5.107 -17.882 3.484) 18.921 14.746 ( 4.647 -1.182 0.253) 4.801 15.055 ( 4.775 7.090 -0.811) 8.586 15.290 ( -0.665 -2.893 -1.724) 3.433 15.804 ( 3.088 11.689 0.444) 12.098 16.096 ( -0.987 -2.212 -0.487) 2.471 16.172 ( 4.990 5.555 -1.398) 7.597 17.205 ( 8.217 8.033 -19.448) 22.589 17.571 ( 11.197 -1.899 1.204) 11.421 17.824 ( 7.302 1.517 2.644) 7.913 18.285 ( 4.466 -13.571 7.256) 16.024 18.878 ( 0.206 13.891 4.865) 14.720 19.232 ( -7.371 5.944 5.325) 10.863 20.433 ( 4.144 -10.468 -5.867) 12.695 20.640 ( 4.580 -1.541 -7.361) 8.805 20.700 ( 5.279 1.859 -6.867) 8.859 21.149 ( 1.084 -10.682 2.151) 10.950 21.557 ( 1.966 10.413 4.177) 11.391 21.889 ( -5.855 1.497 -1.634) 6.261 22.028 ( -3.380 -0.524 4.055) 5.305 22.286 ( -11.916 2.721 -2.619) 12.500 24.334 ( -2.456 -0.849 1.194) 2.860 24.508 ( 2.535 -2.448 2.913) 4.572 107.999 ( 0.230 0.395 0.039) 0.458 108.098 ( -1.014 -0.734 1.915) 2.288 108.908 ( -0.191 1.633 -0.001) 1.644 108.929 ( -0.840 1.025 -0.967) 1.640 109.150 ( 1.217 -0.360 0.521) 1.372 109.315 ( 0.199 -2.143 -2.773) 3.510 ======================= Grid point 139 (70/148) ======================= q-point: ( 0.44 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 7.362 1.204 -3.984) 8.457 1.985 ( 6.280 1.459 -0.878) 6.507 2.038 ( -0.583 -0.900 1.414) 1.775 2.195 ( -2.186 0.085 -0.134) 2.191 2.428 ( 1.906 -5.541 8.416) 10.255 2.536 ( -0.263 -2.580 8.121) 8.525 2.973 ( 2.262 12.658 -3.873) 13.429 3.496 ( 0.925 -2.785 -0.247) 2.945 3.914 ( 3.852 8.537 -3.529) 10.009 4.232 ( -1.340 -2.618 -0.354) 2.962 4.510 ( -1.255 -2.946 -0.583) 3.255 4.846 ( -4.322 -1.583 -1.171) 4.750 5.075 ( 2.138 -3.010 0.488) 3.725 5.209 ( 3.751 -2.699 -0.935) 4.715 5.820 ( -2.433 -4.794 -0.443) 5.395 6.261 ( -0.251 -3.488 0.351) 3.515 7.517 ( 4.787 6.083 -0.163) 7.742 7.927 ( -16.160 0.513 -1.581) 16.245 8.089 ( 1.491 5.561 -3.404) 6.688 8.653 ( 0.069 -2.060 -0.688) 2.173 8.983 ( -3.103 0.639 -0.985) 3.317 9.130 ( 0.008 1.033 -3.877) 4.012 9.266 ( -0.708 2.221 0.252) 2.345 9.911 ( -2.893 2.487 -0.360) 3.832 10.281 ( -2.633 1.217 0.202) 2.908 10.760 ( 5.666 -11.475 -0.063) 12.798 10.925 ( -0.803 -7.002 0.726) 7.085 11.131 ( 3.453 3.701 1.661) 5.327 11.605 ( 5.277 -0.296 2.100) 5.687 11.702 ( -6.412 -0.817 9.972) 11.883 11.788 ( 5.389 6.572 1.736) 8.675 12.410 ( 8.402 -5.378 -0.078) 9.976 12.643 ( 4.146 2.609 -1.049) 5.010 12.720 ( -2.835 1.455 -0.565) 3.236 13.063 ( -4.371 -2.284 -1.133) 5.060 13.401 ( -2.098 0.024 -0.605) 2.184 13.602 ( 4.221 -1.686 7.813) 9.039 13.873 ( -8.205 -16.516 1.377) 18.494 14.785 ( -0.080 -1.369 -1.683) 2.170 15.146 ( 3.730 9.834 -1.598) 10.638 15.275 ( -0.950 -4.944 -3.138) 5.933 15.873 ( 2.789 14.508 0.555) 14.784 16.067 ( -0.901 -2.061 -0.788) 2.383 16.257 ( 2.103 4.848 -0.676) 5.328 17.263 ( -0.872 9.804 -17.420) 20.008 17.754 ( 6.182 -6.194 2.568) 9.120 17.942 ( 3.216 1.342 1.658) 3.859 18.364 ( 1.790 -12.756 7.114) 14.715 18.861 ( -2.579 11.047 4.491) 12.200 19.077 ( -6.857 5.359 5.599) 10.349 20.505 ( 2.220 -9.032 -2.438) 9.615 20.699 ( 2.878 -5.447 -8.951) 10.866 20.831 ( 6.285 2.290 -8.500) 10.816 21.229 ( 6.509 -10.308 -0.753) 12.214 21.607 ( 2.589 7.538 2.015) 8.220 21.756 ( -6.621 2.191 0.463) 6.990 21.974 ( -1.870 1.317 4.192) 4.776 22.063 ( -8.562 5.774 1.123) 10.388 24.285 ( -1.918 -0.294 0.689) 2.060 24.559 ( 1.852 -3.008 4.788) 5.950 108.003 ( 0.111 0.267 0.072) 0.298 108.086 ( -0.164 -0.643 1.451) 1.596 108.900 ( -0.564 1.485 -0.285) 1.614 108.918 ( -0.017 1.021 -0.798) 1.296 109.171 ( 0.700 -0.422 0.677) 1.061 109.315 ( -0.024 -1.878 -2.393) 3.042 ======================= Grid point 140 (71/148) ======================= q-point: (-0.44 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 3.243 0.546 -5.337) 6.269 1.919 ( -10.046 1.333 0.799) 10.165 2.076 ( 2.194 -0.934 -0.469) 2.430 2.171 ( -0.612 0.385 -0.987) 1.223 2.412 ( -3.957 0.006 8.466) 9.346 2.588 ( 3.780 -3.820 8.925) 10.418 2.971 ( -1.948 10.232 -3.831) 11.098 3.511 ( 0.991 -0.865 0.632) 1.459 3.987 ( 0.753 1.887 -2.091) 2.915 4.137 ( -4.807 1.329 -1.697) 5.268 4.491 ( -0.818 -4.386 -0.748) 4.524 4.861 ( 5.859 -0.166 -1.116) 5.966 5.093 ( -1.399 -2.548 0.489) 2.947 5.217 ( -2.162 -3.945 -1.022) 4.613 5.826 ( 2.836 -4.496 -0.348) 5.327 6.256 ( -0.398 -3.521 0.271) 3.554 7.545 ( -4.942 5.717 -0.215) 7.560 7.858 ( 13.362 1.237 -1.398) 13.492 8.109 ( 0.097 6.207 -3.595) 7.174 8.638 ( -1.432 -1.666 -0.575) 2.270 8.917 ( -2.518 2.344 -1.614) 3.800 9.144 ( 1.260 -0.985 -2.403) 2.887 9.279 ( 1.807 2.306 -0.040) 2.930 9.897 ( 1.422 2.688 -0.422) 3.070 10.339 ( 8.131 0.601 -0.415) 8.164 10.774 ( -4.305 -11.888 -0.015) 12.643 10.940 ( 2.171 -6.747 0.741) 7.126 11.106 ( -5.776 3.574 1.736) 7.011 11.547 ( -6.807 0.815 3.262) 7.592 11.636 ( -2.594 6.265 3.455) 7.610 11.992 ( 11.129 -0.754 7.242) 13.299 12.465 ( -3.358 -7.857 -0.697) 8.573 12.734 ( 5.693 1.787 -0.280) 5.974 12.798 ( 8.100 2.988 -1.563) 8.774 12.982 ( -1.824 0.420 -1.363) 2.316 13.386 ( 1.035 -1.813 1.051) 2.337 13.590 ( -7.117 -4.736 4.843) 9.825 13.862 ( 8.925 -10.715 4.881) 14.775 14.754 ( -2.727 -2.513 -2.576) 4.515 15.183 ( -1.290 17.935 -0.119) 17.982 15.252 ( 0.143 -13.616 -5.005) 14.507 15.894 ( -1.033 15.477 0.478) 15.519 16.056 ( -0.317 -3.171 -1.099) 3.370 16.245 ( -3.317 4.669 -0.896) 5.797 17.158 ( -7.728 10.905 -16.051) 20.888 17.825 ( -0.053 -5.727 2.732) 6.346 17.927 ( -4.980 -1.038 1.646) 5.347 18.350 ( -3.554 -12.660 6.420) 14.633 18.790 ( -4.005 10.584 3.237) 11.770 18.999 ( -0.517 5.255 5.584) 7.685 20.508 ( -1.466 -7.451 -2.926) 8.138 20.747 ( 1.697 -9.544 -7.963) 12.544 20.914 ( 2.429 2.929 -7.703) 8.592 21.402 ( 9.430 -7.403 -3.256) 12.423 21.620 ( -4.900 0.456 3.150) 5.843 21.682 ( 3.457 5.480 1.275) 6.603 21.907 ( -3.698 6.527 4.641) 8.821 22.009 ( 1.852 4.140 0.796) 4.605 24.266 ( 0.079 0.034 0.490) 0.498 24.587 ( 0.478 -3.290 4.992) 5.998 108.002 ( -0.125 0.243 0.102) 0.292 108.097 ( 1.136 -0.821 1.397) 1.979 108.889 ( -0.358 1.674 -0.412) 1.761 108.923 ( 0.520 0.898 -0.675) 1.238 109.178 ( -0.112 -0.446 0.782) 0.908 109.309 ( -0.436 -1.736 -2.491) 3.067 ======================= Grid point 141 (72/148) ======================= q-point: (-0.33 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( -12.528 1.604 3.042) 12.991 1.725 ( -3.022 3.541 -1.700) 4.956 2.044 ( -4.903 0.872 1.768) 5.284 2.154 ( -1.510 0.720 -2.432) 2.952 2.331 ( -4.143 0.701 10.542) 11.349 2.652 ( 1.392 -2.293 5.489) 6.110 2.911 ( -2.968 4.157 -4.812) 7.018 3.549 ( 2.574 -6.537 1.107) 7.113 3.839 ( -12.922 -5.673 -4.488) 14.809 4.131 ( 2.209 12.843 0.682) 13.049 4.462 ( -2.973 -8.774 -1.700) 9.419 4.801 ( -12.693 1.630 -1.085) 12.843 5.100 ( 8.411 4.412 0.310) 9.503 5.374 ( 14.640 -6.737 -1.085) 16.152 5.916 ( 5.108 -2.336 -0.696) 5.660 6.260 ( 1.796 -1.848 1.287) 2.880 7.496 ( 0.941 4.313 -0.475) 4.440 8.066 ( -1.157 1.948 -3.364) 4.056 8.259 ( 19.280 1.233 -1.458) 19.374 8.576 ( -4.437 -1.107 -1.331) 4.763 8.912 ( 2.424 2.651 0.124) 3.594 9.177 ( 2.203 -1.180 -2.038) 3.225 9.334 ( 3.311 3.234 -0.460) 4.652 9.945 ( 2.905 5.773 -0.754) 6.507 10.566 ( 7.587 -10.311 -0.768) 12.824 10.675 ( 0.195 -5.447 0.071) 5.451 10.918 ( -8.818 3.743 1.157) 9.649 10.966 ( -2.724 -2.813 0.620) 3.964 11.404 ( -5.749 -0.744 2.209) 6.203 11.598 ( -1.239 8.579 2.518) 9.026 12.140 ( 0.044 3.323 6.713) 7.491 12.352 ( -4.542 -13.657 -2.315) 14.577 12.861 ( 5.697 1.479 -1.334) 6.035 12.925 ( -4.210 -1.747 -5.722) 7.315 12.982 ( 7.435 8.667 2.669) 11.727 13.453 ( 5.167 -2.588 0.774) 5.831 13.541 ( 4.996 -9.819 4.719) 11.985 14.118 ( 14.214 -8.012 12.739) 20.701 14.665 ( -5.599 -3.987 -2.032) 7.168 15.090 ( -6.862 6.854 -0.904) 9.740 15.271 ( 1.180 -3.159 -3.705) 5.010 15.838 ( -3.758 14.188 0.090) 14.678 16.024 ( -4.824 -4.009 -3.233) 7.057 16.135 ( -5.285 3.771 -1.455) 6.653 16.925 ( -13.060 12.981 -14.980) 23.737 17.661 ( -15.159 0.394 2.165) 15.318 17.837 ( -3.810 -5.298 3.065) 7.210 18.262 ( -4.400 -13.293 3.973) 14.555 18.694 ( -5.323 9.774 2.857) 11.490 19.067 ( 5.870 5.940 5.431) 9.962 20.455 ( -2.919 -6.761 -5.031) 8.919 20.732 ( -2.544 -10.481 -5.766) 12.230 20.949 ( 2.022 3.879 -6.444) 7.788 21.486 ( -2.640 1.397 4.804) 5.656 21.654 ( 9.410 -6.055 -4.978) 12.247 21.749 ( 1.179 6.138 5.158) 8.104 21.900 ( 3.529 3.624 2.291) 5.553 22.062 ( 2.665 4.375 -2.441) 5.675 24.286 ( 1.542 -0.105 0.202) 1.559 24.587 ( -0.781 -3.320 3.900) 5.181 107.999 ( -0.130 0.323 0.131) 0.372 108.135 ( 2.377 -1.419 1.661) 3.228 108.887 ( 0.172 2.104 -0.313) 2.135 108.937 ( 0.778 0.807 -0.679) 1.310 109.169 ( -0.813 -0.447 0.855) 1.262 109.288 ( -1.443 -1.631 -3.011) 3.716 ======================= Grid point 142 (73/148) ======================= q-point: (-0.22 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( -15.529 9.769 6.193) 19.363 1.607 ( -11.637 5.546 8.194) 15.275 1.959 ( -2.959 0.376 -1.045) 3.161 2.093 ( -4.275 0.302 -0.067) 4.287 2.233 ( -5.689 4.118 13.560) 15.271 2.648 ( -2.219 -3.402 3.904) 5.633 2.852 ( -2.057 -1.566 -6.559) 7.051 3.493 ( -18.500 -2.762 -5.007) 19.363 3.618 ( 3.611 -13.001 1.258) 13.552 4.137 ( -6.233 -0.459 -0.414) 6.264 4.379 ( 2.382 2.242 -5.335) 6.258 4.679 ( 0.503 4.257 -0.666) 4.338 5.279 ( 8.361 5.810 -0.098) 10.182 5.714 ( 15.830 -2.770 -0.375) 16.074 6.018 ( 4.799 0.496 -0.242) 4.831 6.351 ( 6.119 0.844 1.689) 6.403 7.561 ( 4.650 2.545 -0.473) 5.322 8.029 ( -1.433 -2.092 -2.987) 3.918 8.441 ( -4.433 -4.207 -1.219) 6.232 8.651 ( 14.117 1.261 -2.110) 14.330 8.997 ( 4.811 -3.742 2.638) 6.641 9.232 ( 2.978 -0.630 -2.257) 3.789 9.399 ( 2.179 5.333 -0.470) 5.780 10.004 ( 2.241 8.305 -1.118) 8.674 10.533 ( -1.262 -8.634 0.324) 8.732 10.655 ( -9.766 2.200 0.911) 10.052 10.816 ( -4.973 -3.495 0.746) 6.124 11.023 ( 11.849 -0.710 -1.331) 11.945 11.358 ( 1.302 -1.073 0.745) 1.844 11.565 ( -2.844 5.084 1.153) 5.939 12.055 ( -4.424 8.223 4.191) 10.235 12.290 ( -3.304 -12.874 -2.084) 13.454 12.720 ( -10.709 4.707 -4.762) 12.630 12.971 ( 2.730 -1.479 0.628) 3.168 13.150 ( 6.825 5.199 2.354) 8.897 13.579 ( 6.858 -1.023 0.238) 6.938 13.757 ( 12.485 -13.104 1.524) 18.164 14.361 ( -0.334 -10.752 4.775) 11.769 14.624 ( 9.068 -7.140 15.161) 19.055 14.897 ( -12.161 1.095 -2.345) 12.433 15.279 ( -0.050 3.732 -4.234) 5.644 15.757 ( -8.087 9.391 -3.522) 12.884 15.816 ( -7.432 1.363 -5.179) 9.160 16.071 ( -2.747 -1.970 -0.406) 3.405 16.642 ( -11.134 16.359 -10.566) 22.433 17.298 ( -18.783 2.479 1.684) 19.020 17.716 ( -8.171 -3.222 1.835) 8.973 18.195 ( -2.110 -14.660 3.126) 15.137 18.599 ( -3.462 8.112 4.731) 10.009 19.215 ( 7.514 8.524 2.531) 11.641 20.397 ( -1.881 -4.814 -5.465) 7.522 20.658 ( -3.660 -12.489 -1.974) 13.163 20.986 ( 1.776 5.945 -7.831) 9.991 21.442 ( -1.546 1.917 6.550) 6.997 21.716 ( -3.258 9.442 0.744) 10.016 21.854 ( 7.894 -4.798 -4.154) 10.129 22.020 ( 5.006 -2.925 5.763) 8.175 22.114 ( 4.607 5.630 -6.701) 9.890 24.316 ( 1.009 -0.617 0.038) 1.183 24.563 ( -1.701 -3.189 1.889) 4.078 107.998 ( -0.012 0.418 0.196) 0.462 108.194 ( 3.033 -2.711 1.850) 4.469 108.897 ( 0.871 2.908 -0.324) 3.053 108.953 ( 0.771 0.760 -0.687) 1.282 109.148 ( -1.149 -0.451 0.846) 1.496 109.241 ( -2.868 -1.290 -3.306) 4.563 ======================= Grid point 143 (74/148) ======================= q-point: (-0.11 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( -8.209 18.937 8.817) 22.445 1.286 ( -18.414 7.779 13.994) 24.401 1.789 ( -11.656 3.737 16.687) 20.695 2.066 ( 1.655 -0.298 -0.125) 1.686 2.181 ( -0.346 4.974 7.992) 9.419 2.575 ( -4.566 -5.831 4.633) 8.736 2.815 ( -1.171 -2.386 -8.388) 8.799 3.115 ( -16.597 -1.565 -5.414) 17.528 3.673 ( -0.098 -11.911 -0.430) 11.919 3.992 ( -1.838 -16.005 -6.436) 17.349 4.544 ( 9.347 12.987 -5.173) 16.816 4.720 ( 2.090 3.793 -0.225) 4.336 5.435 ( 6.154 10.138 0.102) 11.860 5.962 ( 7.317 0.486 0.589) 7.357 6.111 ( 3.752 2.848 0.448) 4.732 6.475 ( 4.997 0.985 1.121) 5.215 7.659 ( 4.113 2.378 -0.492) 4.776 8.009 ( -0.402 -5.350 -2.712) 6.012 8.372 ( -1.295 -10.262 -0.950) 10.387 8.888 ( 8.637 2.569 -1.093) 9.077 9.102 ( 5.249 -10.360 2.666) 11.916 9.256 ( -1.960 -4.606 -0.159) 5.008 9.415 ( 0.580 6.692 -1.333) 6.848 9.992 ( -3.933 9.765 -0.888) 10.564 10.464 ( -5.016 -0.953 0.072) 5.106 10.597 ( -0.339 -2.957 0.733) 3.065 10.750 ( 5.410 3.920 0.303) 6.688 11.203 ( 3.031 -3.633 -0.051) 4.732 11.421 ( -0.893 4.533 -0.322) 4.631 11.516 ( 3.922 -2.159 -1.276) 4.655 12.032 ( -0.712 5.379 2.892) 6.148 12.191 ( -3.393 -5.934 -2.483) 7.272 12.568 ( -2.245 4.838 -1.209) 5.469 12.922 ( -8.353 0.008 1.752) 8.535 13.257 ( 3.371 2.922 1.111) 4.598 13.724 ( 6.386 -2.367 0.727) 6.849 13.951 ( 1.557 -14.615 -1.812) 14.809 14.214 ( -7.246 -7.394 -0.762) 10.381 14.522 ( -21.163 -1.881 -6.104) 22.106 14.854 ( 1.957 0.624 14.099) 14.248 15.340 ( 7.519 -4.968 1.437) 9.126 15.538 ( -3.752 6.361 -4.014) 8.406 15.797 ( -0.615 -8.286 -0.888) 8.356 16.030 ( 1.752 7.739 1.648) 8.104 16.528 ( 1.378 14.865 -4.282) 15.530 16.927 ( -15.944 6.065 0.668) 17.071 17.519 ( -9.816 -0.731 0.116) 9.844 18.173 ( -0.626 -16.536 3.516) 16.917 18.581 ( 1.508 6.299 7.001) 9.537 19.370 ( 7.275 13.332 -3.791) 15.654 20.379 ( 0.589 -2.512 -3.884) 4.663 20.588 ( -3.031 -15.893 1.381) 16.239 20.988 ( -2.010 8.415 -12.785) 15.437 21.431 ( -0.070 2.293 7.464) 7.809 21.588 ( -9.222 11.198 -1.637) 14.598 21.957 ( 2.276 -2.683 0.365) 3.537 22.059 ( 1.198 -0.049 1.036) 1.585 22.318 ( 13.329 -0.798 -4.420) 14.065 24.315 ( -1.192 -1.008 0.669) 1.698 24.523 ( -2.072 -2.607 0.170) 3.335 107.998 ( -0.028 0.476 0.287) 0.557 108.247 ( 1.283 -4.644 1.379) 5.011 108.921 ( 1.321 4.115 -1.143) 4.470 108.966 ( 0.472 0.739 -0.700) 1.122 109.125 ( -1.057 -0.478 0.708) 1.359 109.177 ( -2.204 -0.545 -1.784) 2.888 ======================= Grid point 144 (75/148) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( -5.961 17.467 12.342) 22.203 1.308 ( -2.179 12.188 17.088) 21.102 1.831 ( 1.260 9.570 5.300) 11.012 2.093 ( 0.918 -0.604 3.122) 3.310 2.236 ( -0.135 -4.452 12.469) 13.241 2.443 ( -0.358 3.210 1.810) 3.703 2.721 ( -1.877 -4.150 -4.695) 6.541 2.815 ( -5.193 -1.503 -5.299) 7.570 3.407 ( -1.169 -9.703 -6.442) 11.706 3.766 ( 10.051 -15.519 -2.724) 18.689 4.791 ( -3.426 5.666 -4.173) 7.827 4.831 ( 0.272 4.068 -4.229) 5.874 5.779 ( -1.143 14.737 0.857) 14.806 6.072 ( -0.119 2.406 0.853) 2.556 6.262 ( 0.669 6.543 1.414) 6.727 6.531 ( 0.482 -1.229 1.445) 1.957 7.750 ( -0.852 -0.033 -0.882) 1.226 7.846 ( -0.688 -8.537 -1.378) 8.674 8.180 ( 1.923 -3.662 -1.354) 4.352 8.863 ( -1.975 -12.419 -0.410) 12.582 9.013 ( 0.359 -9.107 -0.070) 9.114 9.050 ( 2.230 -6.394 3.388) 7.572 9.584 ( -0.468 10.256 -4.240) 11.107 10.064 ( 0.674 1.242 -1.226) 1.870 10.454 ( 1.307 4.388 -0.845) 4.656 10.614 ( -2.120 10.164 0.572) 10.399 11.001 ( 2.833 -11.123 -1.577) 11.586 11.111 ( -2.836 9.510 -0.283) 9.928 11.357 ( 1.681 -4.988 1.185) 5.396 11.607 ( 0.232 -4.115 -0.641) 4.171 11.923 ( -12.071 6.463 -2.617) 13.940 12.217 ( 4.724 -0.412 -2.555) 5.387 12.740 ( 0.955 6.485 5.192) 8.362 12.752 ( -5.071 2.702 0.765) 5.796 13.298 ( 0.615 -2.833 0.965) 3.055 13.475 ( -2.688 -11.061 9.563) 14.867 13.851 ( -0.545 1.825 -0.017) 1.905 13.980 ( -11.263 -2.618 -4.255) 12.321 14.306 ( -0.056 0.747 0.248) 0.789 14.781 ( 4.449 -14.233 9.718) 17.799 15.275 ( -2.161 -1.042 0.334) 2.422 15.514 ( -0.560 -7.558 1.009) 7.646 15.885 ( 6.985 12.062 -4.869) 14.764 16.232 ( 4.545 1.223 2.554) 5.355 16.745 ( -2.145 10.850 -2.624) 11.367 16.976 ( 4.640 7.349 -2.623) 9.079 17.412 ( -1.482 2.859 0.177) 3.225 17.869 ( -0.189 -13.233 4.425) 13.955 18.851 ( 5.852 13.012 9.463) 17.120 19.701 ( 7.042 1.484 -7.913) 10.696 20.212 ( -2.094 -12.071 2.632) 12.530 20.365 ( 2.825 -3.862 -5.953) 7.637 21.008 ( -13.523 10.567 -15.670) 23.240 21.383 ( -9.491 -1.336 0.175) 9.586 21.706 ( 2.237 11.111 1.518) 11.435 21.998 ( 1.697 -0.188 5.261) 5.531 22.082 ( 1.609 1.127 1.047) 2.226 22.481 ( 7.854 -6.232 -5.050) 11.226 24.289 ( 0.157 0.563 1.622) 1.725 24.435 ( -1.051 -3.192 -0.333) 3.377 108.013 ( -0.139 1.275 0.587) 1.410 108.151 ( -1.289 -3.641 2.440) 4.569 108.988 ( -0.002 1.221 -0.621) 1.370 109.002 ( -0.653 2.646 -2.031) 3.399 109.101 ( -0.346 -0.155 -0.023) 0.380 109.167 ( 2.054 -1.420 -1.080) 2.720 ======================= Grid point 145 (76/148) ======================= q-point: ( 0.11 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( -2.356 14.189 15.118) 20.867 1.382 ( 8.167 11.798 15.662) 21.241 1.935 ( 4.428 -3.337 1.664) 5.788 2.107 ( 1.006 -1.226 2.968) 3.366 2.263 ( 1.431 -3.138 9.503) 10.110 2.471 ( 2.131 3.508 2.389) 4.749 2.706 ( 4.899 0.640 -0.335) 4.952 2.873 ( 8.266 -2.371 -9.509) 12.820 3.441 ( 5.684 -4.319 -3.888) 8.129 4.001 ( 12.127 -13.453 -2.840) 18.333 4.630 ( -10.717 8.449 -4.249) 14.293 4.779 ( -4.207 1.302 -2.757) 5.195 5.636 ( -10.881 11.724 0.185) 15.996 5.959 ( -11.398 0.672 0.384) 11.424 6.214 ( -5.130 5.337 1.305) 7.517 6.498 ( -4.278 -1.856 1.967) 5.061 7.682 ( -4.694 1.027 -0.399) 4.821 7.869 ( 2.940 -6.413 -1.466) 7.205 8.280 ( 7.181 -3.433 -2.061) 8.222 8.740 ( -8.271 -13.174 -0.324) 15.558 9.006 ( 1.403 -4.371 1.535) 4.841 9.188 ( 6.412 -6.153 1.089) 8.953 9.566 ( -1.177 11.031 -4.856) 12.110 10.156 ( 6.077 0.534 -1.728) 6.340 10.512 ( -7.693 8.875 -0.163) 11.747 10.545 ( 7.159 4.230 0.408) 8.325 10.841 ( -8.252 -0.076 0.329) 8.259 11.152 ( 0.820 -2.461 0.668) 2.678 11.347 ( -18.321 -7.214 -1.690) 19.763 11.458 ( 5.268 -8.125 1.544) 9.806 11.848 ( 3.089 11.335 -0.637) 11.766 12.322 ( 2.765 0.218 -3.061) 4.131 12.515 ( -8.484 5.186 2.186) 10.181 12.839 ( -0.667 -3.029 3.426) 4.621 13.329 ( 1.106 0.530 1.859) 2.227 13.478 ( 2.291 -5.823 7.122) 9.481 13.745 ( -7.756 -0.842 -0.033) 7.802 13.836 ( -3.311 -5.665 0.151) 6.563 14.375 ( 6.895 2.061 1.111) 7.282 14.867 ( 3.182 -10.375 4.866) 11.893 15.270 ( 1.812 1.122 0.264) 2.147 15.586 ( 6.243 -8.570 0.418) 10.611 16.016 ( 5.623 10.647 -2.828) 12.369 16.306 ( 0.702 0.114 2.311) 2.418 16.808 ( 10.205 12.329 -6.409) 17.240 17.149 ( 10.501 4.299 -4.307) 12.137 17.468 ( 6.670 2.082 1.553) 7.158 17.883 ( 1.302 -12.744 5.068) 13.776 19.001 ( 7.060 12.749 9.437) 17.361 19.756 ( -2.345 6.624 -8.711) 11.192 20.177 ( -1.258 -10.831 0.982) 10.947 20.426 ( 3.274 -3.338 -5.520) 7.234 20.717 ( -9.732 8.527 -8.247) 15.344 21.185 ( -9.234 -5.723 -0.103) 10.864 21.745 ( 1.043 12.727 1.456) 12.852 22.035 ( 0.962 -1.639 3.613) 4.082 22.090 ( -0.770 2.544 1.069) 2.865 22.564 ( 0.060 -7.183 -6.237) 9.514 24.317 ( 1.903 -0.018 1.766) 2.596 24.416 ( -0.656 -2.731 -0.627) 2.878 108.011 ( -0.128 1.240 0.466) 1.331 108.122 ( -1.486 -2.368 2.513) 3.759 108.978 ( -0.934 2.532 -1.087) 2.909 108.985 ( -0.524 1.562 -0.529) 1.730 109.102 ( 0.462 -0.060 -0.057) 0.469 109.216 ( 2.219 -2.992 -2.125) 4.288 ======================= Grid point 146 (77/148) ======================= q-point: ( 0.22 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 4.895 8.727 11.349) 15.130 1.624 ( 12.928 9.742 10.632) 19.367 1.949 ( -1.488 -8.641 2.716) 9.179 2.152 ( 2.344 -6.145 3.608) 7.501 2.283 ( -0.105 0.397 4.359) 4.379 2.509 ( 0.977 0.427 2.387) 2.614 2.898 ( 10.998 4.829 -4.076) 12.684 3.093 ( 11.865 -5.219 -8.095) 15.282 3.675 ( 17.060 1.006 1.627) 17.167 4.198 ( 2.733 -6.896 -6.669) 9.975 4.446 ( -1.716 7.762 -0.179) 7.952 4.691 ( -2.822 -1.428 -1.803) 3.641 5.381 ( -12.898 6.595 -0.645) 14.500 5.626 ( -19.215 -1.203 -0.250) 19.254 6.069 ( -8.481 2.448 0.700) 8.855 6.358 ( -8.489 -3.848 2.524) 9.656 7.606 ( -1.934 4.640 0.025) 5.027 7.954 ( 5.113 -2.354 -1.725) 5.887 8.430 ( 5.171 -3.924 -2.027) 6.801 8.562 ( -7.662 -9.383 -1.499) 12.206 9.037 ( 0.822 -0.494 2.111) 2.319 9.258 ( -0.455 -3.472 -1.222) 3.709 9.524 ( -2.678 11.876 -4.200) 12.879 10.212 ( -0.988 -1.340 -1.643) 2.339 10.319 ( -8.660 5.783 -0.260) 10.417 10.738 ( 8.002 1.289 1.060) 8.174 10.744 ( -4.188 -2.552 -0.269) 4.912 10.984 ( -8.038 -0.380 -0.348) 8.055 11.220 ( 4.456 -4.017 3.144) 6.773 11.565 ( 4.315 -13.285 2.830) 14.253 11.955 ( 5.670 11.881 -0.492) 13.174 12.217 ( -7.149 5.899 1.798) 9.441 12.519 ( 4.030 -1.347 -2.851) 5.117 12.771 ( -3.769 -7.359 2.085) 8.527 13.286 ( -5.176 5.606 3.156) 8.257 13.518 ( -0.429 -3.537 0.304) 3.575 13.608 ( -5.930 -2.379 3.287) 7.186 13.774 ( -2.328 -12.118 2.650) 12.621 14.574 ( 10.310 1.448 1.148) 10.474 14.924 ( 2.349 -8.457 0.554) 8.795 15.341 ( 4.443 5.762 0.169) 7.278 15.720 ( 5.829 -7.067 0.044) 9.161 16.139 ( 6.456 10.715 -1.377) 12.585 16.288 ( -0.824 6.526 2.031) 6.884 17.088 ( 14.852 7.473 -9.654) 19.226 17.367 ( 10.228 1.964 -4.552) 11.366 17.656 ( 10.024 0.724 2.522) 10.361 17.935 ( 3.341 -12.416 5.869) 14.134 19.124 ( 3.415 13.223 7.966) 15.811 19.600 ( -10.285 11.213 -3.253) 15.559 20.172 ( 1.131 -9.881 -1.411) 10.045 20.496 ( 4.097 -4.351 -8.324) 10.247 20.645 ( 1.830 3.014 -4.210) 5.492 21.016 ( -6.399 -8.916 0.082) 10.975 21.755 ( -0.074 11.305 1.537) 11.409 22.017 ( -2.984 0.118 -0.763) 3.082 22.067 ( -1.483 1.861 4.359) 4.966 22.486 ( -6.496 -3.951 -3.987) 8.585 24.343 ( -0.095 -0.851 1.962) 2.141 24.415 ( 0.881 -2.773 -0.227) 2.919 108.010 ( -0.009 1.057 0.286) 1.095 108.097 ( -1.118 -1.597 2.026) 2.812 108.960 ( -0.728 2.517 -0.533) 2.674 108.971 ( -0.746 1.456 -0.619) 1.750 109.119 ( 1.068 -0.095 0.098) 1.077 109.247 ( 1.050 -3.530 -2.304) 4.344 ======================= Grid point 147 (78/148) ======================= q-point: ( 0.33 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( 9.099 4.795 3.405) 10.834 1.854 ( 5.212 -1.327 0.319) 5.388 1.981 ( 7.283 0.729 7.407) 10.413 2.193 ( 0.947 -4.893 3.948) 6.357 2.276 ( -0.386 -0.780 4.987) 5.063 2.513 ( -0.657 -1.845 4.078) 4.524 3.102 ( 8.437 9.535 -7.270) 14.662 3.307 ( 9.490 -4.641 -4.826) 11.614 4.039 ( 13.566 -0.564 2.807) 13.865 4.112 ( -5.009 4.621 -5.497) 8.755 4.503 ( 1.005 0.608 -1.388) 1.819 4.749 ( 8.448 -4.213 -0.633) 9.462 5.126 ( -11.329 -0.884 -0.788) 11.391 5.242 ( -14.394 -0.106 -0.714) 14.412 5.882 ( -8.742 -0.149 -0.098) 8.744 6.208 ( -4.969 -6.040 1.537) 7.971 7.602 ( 1.331 8.136 0.201) 8.247 8.071 ( 6.191 1.266 -1.798) 6.570 8.278 ( -14.460 -3.224 -1.411) 14.882 8.573 ( 2.633 -4.574 -1.904) 5.610 9.034 ( -1.211 0.848 1.269) 1.949 9.194 ( -4.082 -1.093 -3.050) 5.212 9.444 ( -4.037 11.145 -2.472) 12.108 10.130 ( -8.792 8.018 -0.271) 11.902 10.216 ( 1.221 -11.410 0.070) 11.475 10.584 ( -5.287 -3.478 -0.974) 6.403 10.817 ( -0.329 -3.158 0.425) 3.203 11.042 ( 6.748 1.003 1.806) 7.057 11.399 ( 11.186 -0.902 3.506) 11.758 11.639 ( 2.569 -10.439 5.749) 12.191 11.983 ( -2.524 11.475 -0.012) 11.750 12.205 ( 5.247 2.563 1.504) 6.031 12.585 ( 2.956 -1.010 -1.126) 3.321 12.735 ( -0.236 -6.744 -1.250) 6.863 13.155 ( -6.983 3.099 3.349) 8.341 13.432 ( -5.589 -3.834 -1.435) 6.928 13.538 ( -1.674 -1.637 3.763) 4.432 13.728 ( -2.949 -11.314 2.662) 11.991 14.739 ( 4.876 0.476 -0.650) 4.942 14.975 ( 2.777 -7.663 -3.310) 8.797 15.429 ( 3.628 9.242 0.334) 9.934 15.816 ( 3.410 -6.263 -0.000) 7.131 16.240 ( 2.982 13.251 0.672) 13.599 16.334 ( 4.799 10.413 0.431) 11.474 17.346 ( 9.976 4.994 -10.668) 15.436 17.540 ( 6.293 -0.570 -1.612) 6.521 17.838 ( 6.568 -0.680 0.846) 6.657 18.031 ( 5.152 -11.787 7.515) 14.898 19.144 ( -1.638 13.392 4.848) 14.336 19.385 ( -9.920 8.996 2.418) 13.608 20.229 ( 4.327 -9.480 -2.778) 10.785 20.550 ( 0.826 -8.746 -8.344) 12.116 20.732 ( 6.341 1.957 -5.746) 8.778 20.959 ( 1.582 -7.924 0.254) 8.084 21.747 ( -0.863 8.202 1.142) 8.326 21.926 ( -5.328 1.461 -1.254) 5.665 22.036 ( -1.522 2.754 4.867) 5.795 22.322 ( -8.359 0.278 -0.762) 8.398 24.320 ( -1.783 -0.367 1.036) 2.095 24.446 ( 1.719 -3.735 2.324) 4.723 108.010 ( 0.038 0.807 0.196) 0.831 108.079 ( -0.778 -1.211 1.464) 2.053 108.947 ( -0.492 2.181 -0.362) 2.265 108.954 ( -0.779 1.546 -0.744) 1.884 109.143 ( 1.139 -0.203 0.298) 1.195 109.261 ( 0.483 -3.334 -2.021) 3.928 ======================= Grid point 148 (79/148) ======================= q-point: ( 0.44 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 7.205 3.343 -3.241) 8.578 1.919 ( 2.975 -5.870 -0.481) 6.599 2.097 ( -0.293 3.717 0.194) 3.734 2.188 ( -1.148 -0.871 0.944) 1.723 2.343 ( 6.840 -1.908 11.794) 13.767 2.494 ( -1.494 -2.137 7.257) 7.711 3.213 ( 2.424 10.935 -5.968) 12.692 3.479 ( 6.764 1.285 -2.447) 7.307 4.025 ( -4.523 -0.134 -3.686) 5.837 4.173 ( 1.358 -1.351 0.247) 1.931 4.501 ( -0.797 3.239 -1.160) 3.532 4.813 ( -1.950 -1.967 -0.853) 2.898 4.944 ( -3.710 -7.659 -1.063) 8.576 5.172 ( 3.245 -4.064 -0.689) 5.246 5.757 ( -2.322 0.125 -0.345) 2.351 6.158 ( -0.583 -7.036 -0.102) 7.061 7.665 ( 5.197 8.698 -0.012) 10.132 7.950 ( -14.763 1.219 -1.429) 14.882 8.193 ( 4.684 5.092 -1.905) 7.176 8.582 ( -0.842 -5.433 -0.036) 5.498 9.002 ( -1.560 1.311 -0.887) 2.223 9.127 ( -1.797 -1.637 -3.205) 4.023 9.385 ( -1.258 10.589 -1.013) 10.712 9.977 ( -4.367 3.873 -0.231) 5.841 10.254 ( 1.818 -5.611 1.175) 6.014 10.559 ( 0.924 -9.439 -0.678) 9.508 10.792 ( -0.801 -3.639 0.339) 3.741 11.140 ( 2.152 -3.279 2.501) 4.651 11.591 ( 4.476 -0.119 1.813) 4.831 11.693 ( 2.510 -0.547 8.385) 8.770 11.953 ( 0.446 9.773 0.464) 9.794 12.322 ( 4.625 -3.812 1.174) 6.108 12.654 ( 3.244 -0.953 -0.918) 3.503 12.742 ( 1.841 -0.044 -1.445) 2.341 13.028 ( -4.605 -0.777 3.461) 5.813 13.332 ( -4.371 -8.160 0.941) 9.305 13.554 ( 3.861 -2.284 3.301) 5.570 13.650 ( -4.332 -5.001 -0.798) 6.664 14.779 ( -0.340 0.562 -2.583) 2.666 15.021 ( 1.496 -8.741 -5.505) 10.438 15.482 ( 1.363 11.480 0.432) 11.569 15.863 ( 1.191 -6.486 -0.026) 6.594 16.298 ( 2.279 16.729 1.629) 16.962 16.411 ( 1.695 10.909 -0.163) 11.041 17.457 ( 1.141 8.309 -12.039) 14.672 17.635 ( 3.456 -4.931 2.598) 6.559 17.922 ( 1.592 -3.891 -1.641) 4.513 18.122 ( 1.804 -11.186 9.222) 14.609 19.082 ( -4.291 11.549 2.710) 12.615 19.206 ( -7.041 7.372 4.141) 11.003 20.319 ( 3.576 -9.191 -1.941) 10.051 20.532 ( -0.902 -11.592 -7.269) 13.713 20.871 ( 6.695 2.092 -6.543) 9.593 21.069 ( 8.302 -6.193 -2.136) 10.575 21.720 ( -1.760 4.357 0.808) 4.768 21.808 ( -5.441 2.177 -0.451) 5.878 22.026 ( 0.221 4.484 4.789) 6.564 22.166 ( -6.060 3.938 1.627) 7.408 24.286 ( -1.276 0.606 0.826) 1.636 24.481 ( 1.304 -4.781 3.772) 6.228 108.011 ( 0.009 0.616 0.180) 0.642 108.069 ( -0.169 -1.067 1.131) 1.564 108.936 ( -0.513 2.072 -0.491) 2.191 108.943 ( -0.131 1.478 -0.670) 1.628 109.163 ( 0.657 -0.296 0.430) 0.840 109.266 ( 0.187 -3.009 -1.793) 3.508 ======================= Grid point 149 (80/148) ======================= q-point: (-0.44 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 1.818 2.536 -4.196) 5.229 1.908 ( -6.090 -2.752 0.310) 6.690 2.084 ( 1.577 1.704 -0.356) 2.348 2.165 ( -0.717 -1.049 0.454) 1.349 2.422 ( -2.731 1.027 7.778) 8.307 2.520 ( 4.647 -2.969 10.293) 11.678 3.188 ( -4.204 11.200 -5.299) 13.084 3.548 ( -0.620 5.681 -0.208) 5.719 3.872 ( -8.688 -10.775 -3.123) 14.189 4.215 ( 2.438 -0.916 -1.298) 2.910 4.460 ( -2.452 5.507 -1.207) 6.148 4.858 ( 5.530 -0.123 -1.146) 5.649 4.971 ( 6.241 -7.506 -1.287) 9.847 5.154 ( -4.104 -5.323 -0.857) 6.776 5.769 ( 2.734 0.263 -0.228) 2.756 6.156 ( 0.188 -6.744 -0.191) 6.749 7.685 ( -5.804 8.107 -0.174) 9.972 7.895 ( 12.981 2.174 -1.329) 13.229 8.223 ( -2.063 5.077 -2.050) 5.851 8.575 ( -0.074 -5.036 0.177) 5.040 8.976 ( -0.616 3.246 -0.642) 3.366 9.114 ( 0.799 -1.997 -2.763) 3.502 9.388 ( 1.577 9.852 -1.295) 10.061 9.974 ( 3.945 5.170 -0.183) 6.506 10.293 ( 1.346 -7.551 0.741) 7.705 10.548 ( -1.017 -10.992 -0.632) 11.057 10.826 ( 3.458 -2.382 0.368) 4.215 11.135 ( -2.874 -1.446 2.221) 3.910 11.561 ( -6.654 1.150 1.819) 6.994 11.727 ( -0.521 1.137 7.175) 7.284 12.009 ( 4.461 4.104 1.063) 6.154 12.358 ( -1.375 -3.468 1.471) 4.010 12.739 ( 5.944 -2.281 -1.166) 6.472 12.813 ( 3.792 0.322 -1.943) 4.273 13.000 ( 1.765 0.329 3.687) 4.101 13.258 ( -2.198 -9.162 3.881) 10.190 13.556 ( -3.347 1.312 -3.971) 5.357 13.712 ( 9.923 -4.992 5.726) 12.497 14.735 ( -3.583 0.142 -3.312) 4.881 15.016 ( -1.610 -10.679 -5.744) 12.232 15.485 ( -1.053 12.239 0.362) 12.290 15.867 ( -0.836 -6.599 -0.130) 6.653 16.309 ( -1.894 17.173 1.808) 17.371 16.394 ( -3.151 10.982 -0.781) 11.452 17.384 ( -6.731 11.235 -11.270) 17.278 17.690 ( 1.282 -7.215 3.305) 8.039 17.887 ( -5.423 -3.624 -1.936) 6.803 18.100 ( -4.175 -12.668 8.457) 15.794 18.993 ( -4.434 10.331 1.825) 11.390 19.120 ( -0.925 6.539 4.139) 7.794 20.345 ( -0.924 -8.502 -2.103) 8.807 20.520 ( -0.157 -12.926 -6.515) 14.476 20.980 ( 4.409 3.964 -6.280) 8.636 21.273 ( 11.069 -6.094 -3.990) 13.251 21.653 ( -4.702 2.772 1.850) 5.763 21.754 ( 0.884 1.719 1.022) 2.187 22.023 ( -1.625 5.893 4.959) 7.871 22.108 ( 0.820 4.864 0.788) 4.995 24.275 ( 0.194 1.139 0.668) 1.334 24.502 ( 0.386 -5.254 3.910) 6.560 108.010 ( -0.056 0.624 0.203) 0.658 108.076 ( 0.751 -1.292 1.101) 1.856 108.929 ( -0.054 2.264 -0.560) 2.333 108.946 ( 0.382 1.306 -0.611) 1.491 109.169 ( -0.113 -0.336 0.496) 0.610 109.264 ( -0.335 -2.793 -1.854) 3.369 ======================= Grid point 150 (81/148) ======================= q-point: (-0.33 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( -6.220 2.864 2.522) 7.297 1.768 ( -3.121 0.436 -1.311) 3.413 2.071 ( -4.561 1.614 4.040) 6.303 2.157 ( -1.018 -0.668 -0.791) 1.452 2.363 ( -1.971 2.797 7.898) 8.607 2.595 ( 1.337 -3.532 6.624) 7.625 3.048 ( -8.284 10.133 -7.023) 14.853 3.471 ( -5.208 -0.739 0.700) 5.307 3.691 ( -9.358 -9.148 -3.320) 13.501 4.170 ( -9.004 -13.428 -1.971) 16.287 4.456 ( 3.227 12.071 -0.926) 12.529 4.815 ( -7.251 -0.334 -1.983) 7.525 5.163 ( 10.164 0.917 -0.575) 10.222 5.277 ( 17.420 -2.111 -1.178) 17.587 5.876 ( 7.264 -0.686 -0.110) 7.297 6.187 ( 3.862 -5.767 1.366) 7.074 7.629 ( -0.033 9.285 -0.066) 9.285 8.128 ( -5.569 3.917 -2.137) 7.137 8.228 ( 16.561 -4.251 -1.071) 17.132 8.528 ( -5.030 -4.240 -1.438) 6.734 8.977 ( 0.208 3.766 1.797) 4.177 9.155 ( 3.216 -1.156 -2.822) 4.432 9.453 ( 4.772 9.478 -2.499) 10.902 10.097 ( 5.491 9.199 0.080) 10.714 10.297 ( 1.048 -15.354 -0.736) 15.408 10.599 ( 5.924 -4.458 -0.791) 7.457 10.885 ( 1.013 -1.288 0.332) 1.671 11.023 ( -7.237 3.880 1.188) 8.297 11.387 ( -7.932 -1.057 2.479) 8.377 11.676 ( -4.810 -4.458 4.781) 8.116 12.101 ( 3.922 -0.438 -0.551) 3.984 12.313 ( -2.602 6.172 2.799) 7.260 12.829 ( -0.334 -5.199 -1.790) 5.508 12.877 ( 4.005 -3.926 -3.466) 6.593 13.101 ( 6.650 2.323 4.860) 8.557 13.269 ( 3.394 -7.384 3.582) 8.881 13.540 ( 2.803 4.443 -1.698) 5.522 13.955 ( 12.070 -8.493 9.084) 17.330 14.627 ( -6.353 -0.357 -2.308) 6.768 14.947 ( -4.748 -11.431 -4.197) 13.070 15.445 ( -2.639 10.499 0.055) 10.826 15.821 ( -3.675 -6.793 -0.278) 7.728 16.212 ( -7.719 14.560 0.296) 16.482 16.295 ( -5.548 11.541 -0.998) 12.844 17.181 ( -11.319 12.708 -10.873) 20.195 17.646 ( -10.356 -3.059 0.724) 10.822 17.727 ( -4.802 -4.531 3.017) 7.259 18.003 ( -4.984 -13.292 4.455) 14.878 18.889 ( -5.477 10.668 2.706) 12.293 19.182 ( 5.881 4.889 3.221) 8.298 20.303 ( -2.195 -8.015 -3.157) 8.890 20.484 ( -3.100 -13.602 -5.669) 15.059 21.061 ( 4.320 7.246 -6.379) 10.576 21.500 ( 9.810 -4.527 -3.938) 11.499 21.573 ( -1.869 2.107 1.953) 3.428 21.814 ( 4.123 -0.575 3.000) 5.131 21.993 ( -1.391 6.847 4.813) 8.484 22.151 ( 2.475 3.765 -1.711) 4.819 24.291 ( 1.091 0.895 0.337) 1.451 24.503 ( -0.582 -5.132 2.977) 5.961 108.010 ( 0.023 0.824 0.265) 0.866 108.101 ( 1.509 -1.982 1.338) 2.827 108.935 ( 0.653 2.599 -0.551) 2.736 108.957 ( 0.711 1.195 -0.603) 1.516 109.160 ( -0.810 -0.359 0.511) 1.023 109.246 ( -1.242 -2.577 -2.181) 3.597 ======================= Grid point 151 (82/148) ======================= q-point: (-0.22 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( -8.333 9.063 6.462) 13.904 1.728 ( -6.484 5.312 6.168) 10.407 1.952 ( -3.206 -0.793 3.946) 5.145 2.112 ( -3.058 0.403 -0.389) 3.109 2.336 ( -2.851 6.357 8.911) 11.311 2.577 ( -3.350 -3.643 4.720) 6.839 2.859 ( -8.177 4.425 -7.465) 11.924 3.391 ( -5.344 -6.956 -3.452) 9.426 3.452 ( -9.898 -4.704 0.462) 10.969 3.875 ( -15.668 -19.487 -4.923) 25.484 4.580 ( 8.188 11.270 -1.907) 14.060 4.748 ( 0.925 2.677 -2.111) 3.532 5.406 ( 12.746 6.947 -0.624) 14.530 5.671 ( 18.325 -1.577 -0.614) 18.403 6.039 ( 8.047 2.054 0.722) 8.336 6.329 ( 8.461 -3.474 2.484) 9.478 7.657 ( 2.462 7.715 -0.217) 8.101 8.000 ( -5.991 -0.760 -1.930) 6.340 8.368 ( -8.007 -3.736 -1.442) 8.953 8.551 ( 12.731 -10.356 -1.302) 16.463 8.971 ( -0.910 1.130 2.470) 2.864 9.209 ( 0.723 -2.428 -1.858) 3.141 9.552 ( 3.920 10.660 -3.261) 11.817 10.149 ( 1.184 1.464 -1.325) 2.302 10.405 ( 7.516 0.336 -0.706) 7.557 10.688 ( -0.824 -0.253 0.116) 0.869 10.771 ( -7.932 0.677 0.482) 7.975 11.017 ( 7.035 0.400 -0.263) 7.052 11.308 ( 1.023 -3.683 1.734) 4.197 11.556 ( -6.415 -8.640 1.818) 10.914 12.167 ( 1.857 2.493 -1.445) 3.428 12.253 ( -2.865 11.206 2.909) 11.926 12.730 ( -7.159 -3.114 -4.257) 8.893 12.954 ( 2.605 -1.669 -0.213) 3.101 13.233 ( 4.801 2.520 3.969) 6.720 13.395 ( 7.085 -13.826 3.347) 15.892 13.666 ( 8.527 2.984 0.887) 9.077 14.152 ( 2.936 -11.173 5.008) 12.591 14.530 ( 0.162 -2.215 6.669) 7.029 14.792 ( -10.687 -8.838 -3.294) 14.254 15.388 ( -2.559 5.810 0.094) 6.349 15.723 ( -5.290 -6.980 -0.217) 8.761 15.998 ( -11.689 13.956 -3.435) 18.526 16.196 ( -3.548 9.185 0.300) 9.851 16.938 ( -10.008 14.280 -9.385) 19.803 17.343 ( -15.780 1.567 -0.095) 15.858 17.645 ( -5.536 -3.598 2.922) 7.220 17.918 ( -3.077 -13.531 3.177) 14.236 18.791 ( -3.638 12.112 5.160) 13.658 19.339 ( 8.586 2.849 0.758) 9.078 20.267 ( -0.929 -8.044 -2.368) 8.437 20.398 ( -4.144 -12.488 -5.006) 14.078 21.151 ( 4.452 10.287 -9.566) 14.736 21.518 ( -1.372 5.742 5.512) 8.076 21.708 ( 6.951 -7.084 -9.540) 13.766 21.905 ( 3.649 -0.042 4.650) 5.911 21.974 ( -0.360 4.395 6.642) 7.972 22.202 ( 3.046 2.915 -3.525) 5.496 24.310 ( 0.411 0.226 0.212) 0.515 24.485 ( -1.239 -4.643 1.438) 5.017 108.012 ( 0.111 1.064 0.386) 1.137 108.136 ( 1.593 -3.089 1.700) 3.869 108.956 ( 1.448 2.833 -0.748) 3.269 108.972 ( 0.783 1.214 -0.594) 1.562 109.139 ( -1.154 -0.394 0.449) 1.299 109.208 ( -2.194 -1.993 -2.354) 3.785 ======================= Grid point 152 (83/148) ======================= q-point: (-0.11 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( -3.597 14.239 9.825) 17.669 1.490 ( -13.608 11.864 12.922) 22.202 1.911 ( -5.485 4.009 2.291) 7.170 2.064 ( 0.417 1.267 2.653) 2.969 2.260 ( -3.589 4.077 13.733) 14.768 2.493 ( -4.140 -1.218 2.696) 5.088 2.746 ( -2.086 -3.573 -8.125) 9.118 3.079 ( -16.605 -2.041 -2.543) 16.922 3.446 ( 0.308 -10.651 -2.212) 10.883 3.653 ( -2.174 -18.522 -6.475) 19.741 4.752 ( 7.249 7.926 -4.085) 11.491 4.794 ( 2.370 3.619 -2.503) 4.998 5.661 ( 10.757 12.241 0.202) 16.297 5.975 ( 9.956 0.666 0.324) 9.984 6.191 ( 5.757 5.342 1.409) 7.979 6.478 ( 4.811 -1.230 2.133) 5.404 7.720 ( 3.112 3.474 -0.926) 4.755 7.894 ( -3.809 -5.834 -1.415) 7.110 8.216 ( -5.198 -4.344 -1.272) 6.892 8.781 ( 9.088 -13.927 -0.796) 16.649 8.958 ( 0.006 -2.907 2.169) 3.628 9.152 ( -5.622 -5.994 0.290) 8.223 9.592 ( 0.451 11.311 -3.999) 12.006 10.125 ( -3.971 0.303 -1.417) 4.227 10.481 ( -2.535 4.390 -0.579) 5.102 10.622 ( 0.331 7.037 0.108) 7.046 10.794 ( 9.397 -0.415 -0.343) 9.412 11.153 ( 2.965 -0.894 0.367) 3.119 11.416 ( -4.267 -7.428 -0.895) 8.613 11.450 ( 8.694 -2.594 0.604) 9.093 12.164 ( -4.495 4.782 -4.551) 7.986 12.174 ( -3.475 6.565 2.577) 7.862 12.637 ( 0.768 2.932 -0.431) 3.061 12.936 ( -5.263 1.214 2.019) 5.766 13.290 ( 0.765 -0.130 2.005) 2.150 13.502 ( 1.568 -17.151 5.585) 18.106 13.824 ( 4.333 0.931 0.164) 4.434 14.110 ( -2.354 -5.435 -1.465) 6.101 14.482 ( -15.552 -2.102 -4.055) 16.209 14.659 ( 6.355 -12.549 14.098) 19.915 15.335 ( -2.937 1.198 0.763) 3.262 15.605 ( -6.516 -8.055 0.739) 10.386 15.817 ( -2.409 15.938 -5.681) 17.091 16.166 ( 0.998 4.867 2.009) 5.360 16.795 ( -3.014 12.962 -5.843) 14.534 17.050 ( -10.928 5.653 -0.845) 12.332 17.508 ( -6.815 -0.137 0.998) 6.889 17.880 ( -1.182 -13.533 3.826) 14.113 18.768 ( 1.154 12.993 7.860) 15.229 19.526 ( 9.349 1.318 -3.428) 10.044 20.250 ( -1.341 -11.186 2.165) 11.472 20.337 ( -0.415 -7.156 -7.143) 10.119 21.185 ( -1.823 10.894 -15.610) 19.123 21.506 ( -1.261 4.862 5.249) 7.265 21.720 ( -3.668 0.687 -7.041) 7.969 21.961 ( 1.774 2.209 4.856) 5.623 22.023 ( 3.556 -1.012 4.903) 6.140 22.305 ( 7.671 -0.913 -3.106) 8.326 24.303 ( -0.978 0.041 0.801) 1.265 24.459 ( -1.260 -3.896 0.152) 4.097 108.014 ( 0.032 1.218 0.532) 1.329 108.160 ( 0.378 -4.073 2.042) 4.572 108.983 ( 0.625 1.391 -0.645) 1.656 108.993 ( 1.477 2.532 -1.617) 3.348 109.116 ( -0.999 -0.363 0.267) 1.096 109.162 ( -1.551 -0.986 -1.539) 2.397 ======================= Grid point 153 (84/148) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( -3.885 12.039 15.719) 20.177 1.636 ( -2.541 17.810 7.151) 19.360 1.770 ( -3.355 -10.901 8.388) 14.158 1.967 ( -2.030 -13.656 4.083) 14.398 2.372 ( 0.112 12.236 2.007) 12.400 2.478 ( -0.111 -0.370 -1.419) 1.470 2.677 ( -0.472 1.299 -2.007) 2.437 2.770 ( -5.761 -4.714 0.056) 7.444 3.321 ( 4.923 2.230 -5.176) 7.483 3.484 ( 9.934 -13.100 -1.961) 16.557 4.863 ( -1.990 2.370 -4.581) 5.529 4.881 ( -1.524 0.732 -5.119) 5.391 6.014 ( -1.255 8.754 1.000) 8.900 6.099 ( -0.497 -0.574 0.898) 1.176 6.388 ( 0.574 6.173 2.198) 6.578 6.485 ( 0.311 -3.757 2.242) 4.386 7.699 ( -1.079 -2.761 -1.459) 3.304 7.712 ( -0.971 -4.428 -1.172) 4.683 8.282 ( 1.294 12.192 -0.952) 12.297 8.571 ( -0.551 -16.552 -0.773) 16.579 8.907 ( 0.807 -1.631 0.759) 1.972 8.940 ( 0.665 -4.467 2.052) 4.960 9.793 ( -0.465 10.821 -4.418) 11.697 9.979 ( 0.280 -8.136 -2.966) 8.665 10.582 ( 1.103 8.639 -1.651) 8.865 10.769 ( 1.062 -9.438 -1.735) 9.655 10.900 ( -0.665 14.021 0.587) 14.049 11.160 ( 1.004 -10.327 0.955) 10.420 11.325 ( -2.640 7.705 -0.258) 8.149 11.485 ( -2.423 -7.910 -0.867) 8.318 12.075 ( -6.072 7.764 -2.267) 10.114 12.186 ( 0.037 -3.492 -2.669) 4.396 12.801 ( 0.954 3.646 2.973) 4.800 12.845 ( -5.853 1.271 5.622) 8.215 13.233 ( 1.970 -0.692 3.757) 4.299 13.307 ( 0.892 -6.764 8.931) 11.239 13.893 ( -2.422 2.484 -1.412) 3.745 13.939 ( -7.268 -2.182 -3.235) 8.249 14.353 ( 0.700 4.741 0.526) 4.821 14.509 ( 3.630 -11.752 3.436) 12.771 15.299 ( -1.611 2.868 1.557) 3.640 15.382 ( -1.058 -5.801 1.566) 6.101 16.099 ( 4.021 8.880 -0.900) 9.789 16.215 ( 3.065 -3.268 1.605) 4.759 16.946 ( 0.147 8.814 -3.808) 9.603 17.042 ( 2.131 -0.735 -3.409) 4.087 17.492 ( -0.394 5.910 1.504) 6.111 17.646 ( -0.002 -10.049 2.761) 10.421 19.153 ( 5.449 18.077 8.528) 20.717 19.510 ( 5.721 -17.653 4.593) 19.117 20.160 ( 1.518 4.081 -5.668) 7.147 20.267 ( 3.138 -5.952 -6.600) 9.425 21.192 ( -12.825 8.469 -12.286) 19.676 21.324 ( -12.173 -5.084 -6.572) 14.738 21.860 ( 4.723 5.797 0.913) 7.533 21.954 ( 2.606 -4.078 2.835) 5.608 22.184 ( 1.943 8.393 2.865) 9.079 22.347 ( 4.308 -7.909 -0.484) 9.019 24.316 ( 0.066 2.195 0.622) 2.283 24.370 ( -0.452 -3.317 -0.089) 3.349 108.045 ( -0.215 2.024 1.049) 2.290 108.091 ( -0.527 -2.746 1.748) 3.297 109.012 ( -0.031 1.161 -0.436) 1.241 109.026 ( -0.248 -0.057 -0.899) 0.934 109.110 ( -0.051 1.143 -0.987) 1.511 109.138 ( 0.775 -1.552 -1.200) 2.109 ======================= Grid point 154 (85/148) ======================= q-point: ( 0.11 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( -3.098 13.820 14.850) 20.521 1.641 ( 3.639 14.454 8.591) 17.203 1.744 ( -0.378 -12.783 9.256) 15.787 1.940 ( 0.061 -13.693 4.858) 14.529 2.384 ( -0.160 8.798 2.607) 9.177 2.487 ( 0.421 -1.622 -0.425) 1.729 2.736 ( 7.453 2.314 -3.551) 8.574 2.807 ( 8.013 -4.321 -8.761) 12.635 3.489 ( 11.520 9.038 -0.544) 14.653 3.729 ( 13.366 -14.438 -0.588) 19.684 4.745 ( -8.274 3.764 -4.716) 10.240 4.786 ( -6.498 -0.703 -4.407) 7.882 5.838 ( -13.662 8.639 0.271) 16.166 5.947 ( -13.404 -2.676 0.200) 13.670 6.325 ( -6.668 6.067 2.334) 9.312 6.434 ( -5.943 -4.817 2.699) 8.112 7.705 ( 1.197 1.859 -0.852) 2.370 7.763 ( 5.026 -4.303 -0.829) 6.669 8.304 ( 2.047 5.744 -1.501) 6.280 8.484 ( -5.328 -12.376 -0.698) 13.492 8.975 ( 5.307 1.656 0.763) 5.611 9.060 ( 7.225 -6.419 0.770) 9.696 9.797 ( 0.514 12.507 -4.746) 13.387 10.026 ( 2.940 -10.762 -3.594) 11.721 10.642 ( 4.584 6.469 -0.282) 7.934 10.770 ( -0.721 -6.293 -0.157) 6.337 10.811 ( -7.668 17.579 0.178) 19.180 11.122 ( -8.225 -12.661 -0.855) 15.123 11.195 ( -6.887 2.748 0.993) 7.481 11.306 ( -6.174 -7.024 1.568) 9.482 12.077 ( 4.226 11.394 -1.971) 12.311 12.256 ( 5.091 -6.805 -3.201) 9.082 12.645 ( -10.576 7.254 4.197) 13.494 12.766 ( -6.459 -5.019 4.407) 9.291 13.325 ( 5.709 0.493 3.323) 6.624 13.374 ( 4.465 -4.464 6.039) 8.737 13.744 ( -9.625 1.231 -0.964) 9.751 13.779 ( -8.039 -2.039 -0.484) 8.308 14.455 ( 7.848 6.640 1.044) 10.333 14.632 ( 6.625 -11.660 2.010) 13.560 15.330 ( 4.400 4.424 0.986) 6.317 15.437 ( 5.757 -6.734 0.831) 8.898 16.196 ( 5.079 7.407 -0.224) 8.984 16.290 ( 3.690 -2.484 1.595) 4.725 17.034 ( 8.399 10.298 -5.250) 14.288 17.165 ( 8.957 -2.885 -4.412) 10.393 17.532 ( 4.349 4.906 2.550) 7.035 17.669 ( 2.121 -9.423 3.493) 10.271 19.284 ( 5.861 16.587 8.241) 19.426 19.612 ( 3.193 -16.403 4.360) 17.270 20.181 ( 0.421 7.220 -6.405) 9.661 20.325 ( 2.681 -6.863 -6.204) 9.632 20.895 ( -12.719 9.292 -8.434) 17.868 21.058 ( -12.181 -7.573 -4.904) 15.158 21.917 ( 0.868 5.315 -0.722) 5.434 21.990 ( 0.635 -2.924 2.008) 3.603 22.211 ( 0.227 9.576 2.299) 9.851 22.404 ( 0.692 -9.573 -1.064) 9.656 24.328 ( 0.834 1.255 0.702) 1.662 24.364 ( -0.128 -2.452 -0.150) 2.460 108.040 ( -0.324 1.791 0.930) 2.044 108.078 ( -0.725 -2.183 1.642) 2.827 109.006 ( -0.443 1.055 -0.525) 1.259 109.014 ( -0.695 0.502 -0.670) 1.088 109.115 ( 0.554 1.597 -0.765) 1.855 109.159 ( 1.167 -2.793 -1.406) 3.337 ======================= Grid point 155 (86/148) ======================= q-point: ( 0.22 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( 1.003 12.768 9.063) 15.690 1.695 ( -0.342 -10.740 4.732) 11.741 1.832 ( 8.885 6.290 11.606) 15.912 1.997 ( 4.457 -8.980 7.412) 12.468 2.367 ( -1.443 6.354 1.667) 6.726 2.477 ( -1.290 -4.135 1.881) 4.722 2.964 ( 13.451 2.696 -8.556) 16.168 3.019 ( 11.892 -3.039 -9.866) 15.747 3.784 ( 15.742 9.827 2.063) 18.672 4.005 ( 11.800 -11.953 -1.549) 16.868 4.575 ( -5.786 5.081 -3.014) 8.270 4.649 ( -5.043 -2.865 -3.377) 6.712 5.506 ( -17.440 6.135 -0.546) 18.496 5.596 ( -19.065 -2.865 -0.414) 19.284 6.141 ( -10.385 5.171 1.868) 11.751 6.256 ( -10.222 -6.251 2.650) 12.272 7.738 ( 2.084 8.457 0.075) 8.710 7.884 ( 6.129 -5.697 -0.416) 8.378 8.366 ( 1.248 -1.744 -1.549) 2.645 8.403 ( -0.434 -5.775 -1.992) 6.125 9.069 ( 2.688 3.855 0.643) 4.743 9.167 ( 2.138 -5.584 -0.373) 5.991 9.773 ( -2.766 13.610 -4.552) 14.616 10.026 ( -2.901 -12.360 -3.554) 13.184 10.546 ( -11.810 10.273 -0.827) 15.674 10.672 ( -11.027 -4.148 -0.804) 11.809 10.818 ( 6.052 6.881 1.451) 9.279 10.953 ( -0.524 -4.281 1.174) 4.470 11.180 ( 5.480 0.866 3.185) 6.398 11.299 ( 3.387 -11.799 2.524) 12.532 12.180 ( 4.675 10.546 -1.019) 11.581 12.306 ( -2.404 -0.267 0.937) 2.594 12.498 ( -0.781 2.169 -0.323) 2.328 12.619 ( -5.832 -8.177 2.629) 10.382 13.383 ( -2.989 4.400 2.590) 5.917 13.453 ( 1.037 -3.186 0.826) 3.450 13.572 ( -6.380 -0.657 1.508) 6.589 13.611 ( -5.408 -5.102 2.316) 7.787 14.634 ( 8.310 4.871 0.497) 9.645 14.758 ( 5.289 -7.922 0.101) 9.525 15.453 ( 6.471 5.965 0.469) 8.813 15.577 ( 6.675 -7.125 0.369) 9.771 16.319 ( 6.777 6.883 0.135) 9.660 16.375 ( 4.746 1.281 1.701) 5.202 17.235 ( 9.957 7.717 -5.623) 13.796 17.356 ( 8.850 -3.718 -4.698) 10.687 17.674 ( 8.351 1.541 2.693) 8.909 17.745 ( 4.934 -6.714 4.248) 9.352 19.382 ( 2.400 13.789 6.902) 15.605 19.624 ( -2.966 -9.268 3.076) 10.206 20.153 ( -1.986 8.388 -5.205) 10.070 20.353 ( 0.099 -10.117 -6.784) 12.182 20.734 ( -1.662 5.800 -5.191) 7.959 20.859 ( -5.331 -7.282 -3.488) 9.675 21.907 ( -1.581 4.913 -0.612) 5.197 21.978 ( -1.913 -3.010 0.588) 3.615 22.195 ( -1.794 9.584 2.747) 10.130 22.371 ( -3.425 -7.945 -0.154) 8.653 24.339 ( -0.063 0.567 0.964) 1.120 24.366 ( 0.332 -2.141 0.259) 2.182 108.034 ( -0.286 1.479 0.692) 1.658 108.065 ( -0.653 -1.697 1.293) 2.231 108.993 ( -0.681 1.065 -0.593) 1.397 108.998 ( -0.791 0.786 -0.528) 1.234 109.131 ( 0.957 1.592 -0.485) 1.920 109.180 ( 0.919 -3.299 -1.345) 3.680 ======================= Grid point 156 (87/148) ======================= q-point: ( 0.33 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 5.922 8.627 2.678) 10.801 1.712 ( 2.417 -9.978 1.175) 10.333 2.042 ( 9.119 3.201 8.794) 13.066 2.103 ( 4.440 -3.710 7.297) 9.313 2.336 ( -1.246 5.731 3.220) 6.691 2.448 ( -1.293 -5.032 3.966) 6.537 3.225 ( 10.698 3.224 -9.160) 14.448 3.257 ( 12.134 -1.170 -7.587) 14.358 4.053 ( 7.046 3.485 1.097) 7.937 4.135 ( 0.891 -3.006 -3.357) 4.594 4.550 ( 2.413 3.871 -1.653) 4.852 4.643 ( 5.279 -5.749 -1.590) 7.965 5.146 ( -16.244 3.552 -0.477) 16.634 5.223 ( -14.896 -3.152 -0.331) 15.229 5.935 ( -8.350 5.589 0.539) 10.063 6.071 ( -6.598 -7.743 1.087) 10.230 7.788 ( 2.343 10.823 0.304) 11.078 7.990 ( 2.744 -9.215 -0.007) 9.614 8.309 ( -3.209 6.172 -1.749) 7.173 8.451 ( 1.476 -7.637 -1.660) 7.954 9.075 ( -1.703 3.316 -0.156) 3.731 9.145 ( -3.222 -3.540 -1.488) 5.012 9.691 ( -3.769 13.881 -2.884) 14.670 9.957 ( -2.319 -13.604 -1.722) 13.907 10.314 ( -9.185 8.841 -0.363) 12.754 10.473 ( -6.817 -7.669 -0.873) 10.298 10.855 ( -0.910 6.665 1.326) 6.856 10.999 ( 1.478 -6.013 2.072) 6.530 11.396 ( 12.758 0.930 3.478) 13.256 11.460 ( 10.910 -6.506 4.029) 13.327 12.187 ( -3.765 8.651 1.541) 9.560 12.260 ( -0.443 1.265 2.311) 2.672 12.552 ( 3.957 -1.208 -0.889) 4.232 12.599 ( 3.595 -6.214 -1.288) 7.294 13.228 ( -9.655 4.567 3.103) 11.122 13.330 ( -9.221 -5.877 1.049) 10.985 13.533 ( 0.241 1.172 1.184) 1.683 13.586 ( 0.347 -4.479 0.429) 4.513 14.770 ( 4.409 2.856 -1.726) 5.530 14.849 ( 3.412 -5.376 -2.719) 6.924 15.573 ( 4.695 6.283 0.621) 7.868 15.690 ( 4.040 -6.319 0.538) 7.519 16.458 ( 6.039 7.945 0.463) 9.990 16.497 ( 6.349 4.363 1.417) 7.834 17.407 ( 6.765 3.608 -3.512) 8.433 17.508 ( 5.959 -4.910 -3.174) 8.348 17.817 ( 4.398 0.814 0.990) 4.581 17.878 ( 6.507 -4.795 4.566) 9.283 19.376 ( -3.424 10.348 4.609) 11.834 19.495 ( -8.724 -0.147 2.433) 9.058 20.147 ( 2.103 3.026 -3.501) 5.083 20.325 ( -1.467 -12.907 -6.034) 14.324 20.782 ( 5.443 3.140 -4.635) 7.809 20.850 ( 3.956 -4.148 -3.178) 6.554 21.857 ( -3.072 3.882 -0.475) 4.973 21.914 ( -4.112 -2.156 -0.520) 4.672 22.154 ( -2.017 7.842 3.752) 8.925 22.281 ( -4.833 -4.647 1.547) 6.881 24.329 ( -0.754 1.470 1.095) 1.982 24.376 ( 0.511 -3.291 1.585) 3.688 108.029 ( -0.218 1.166 0.498) 1.287 108.054 ( -0.497 -1.340 0.943) 1.712 108.979 ( -0.654 1.022 -0.593) 1.350 108.981 ( -0.757 0.862 -0.558) 1.275 109.151 ( 0.998 1.331 -0.256) 1.683 109.196 ( 0.738 -3.130 -1.135) 3.410 ======================= Grid point 157 (88/148) ======================= q-point: ( 0.44 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( 6.148 5.786 -2.067) 8.692 1.791 ( 4.349 -7.094 -1.203) 8.407 2.139 ( -0.310 1.205 2.403) 2.706 2.164 ( -0.165 -1.468 2.514) 2.916 2.370 ( 4.649 3.757 9.663) 11.363 2.444 ( 0.332 -3.347 7.577) 8.290 3.376 ( 4.366 7.014 -5.651) 10.009 3.486 ( 9.295 -3.045 -5.684) 11.313 4.016 ( -8.089 3.557 -1.543) 8.970 4.128 ( -1.771 -5.280 -2.709) 6.192 4.621 ( 3.765 7.389 -1.715) 8.468 4.740 ( 3.212 -5.442 -1.918) 6.604 4.892 ( -7.163 3.268 -0.001) 7.873 5.030 ( -4.395 -9.292 0.273) 10.282 5.839 ( -0.870 7.453 -0.621) 7.529 6.002 ( -0.547 -8.844 -0.594) 8.881 7.826 ( 1.802 7.593 -0.571) 7.825 7.936 ( -6.602 -3.377 -1.217) 7.515 8.305 ( 2.334 7.001 -0.180) 7.382 8.452 ( -0.533 -7.775 0.429) 7.805 9.035 ( -1.387 2.122 -1.384) 2.888 9.082 ( -1.936 -2.658 -2.094) 3.899 9.647 ( -0.365 15.711 -1.442) 15.781 9.936 ( 0.377 -12.024 -0.769) 12.055 10.195 ( -2.559 5.053 0.340) 5.675 10.363 ( -3.971 -10.621 -0.467) 11.349 10.846 ( 0.577 7.632 1.155) 7.741 11.015 ( 0.729 -8.789 2.312) 9.117 11.618 ( 6.370 2.558 3.043) 7.509 11.667 ( 6.561 -2.163 5.342) 8.733 12.131 ( -1.251 8.212 1.152) 8.386 12.250 ( 0.072 -4.344 1.701) 4.666 12.642 ( 3.697 0.693 -0.510) 3.796 12.695 ( 5.129 -4.072 -1.009) 6.626 13.056 ( -5.818 3.871 4.011) 8.057 13.166 ( -5.729 -7.483 2.546) 9.763 13.552 ( 1.907 1.494 0.085) 2.424 13.592 ( 0.496 -2.419 -1.912) 3.123 14.809 ( -0.280 2.667 -3.655) 4.533 14.886 ( 0.233 -5.429 -4.789) 7.243 15.644 ( 2.025 6.164 0.770) 6.534 15.749 ( 1.613 -5.382 0.643) 5.655 16.556 ( 2.923 9.295 0.721) 9.771 16.600 ( 2.750 5.528 1.076) 6.268 17.511 ( 3.434 1.200 -2.288) 4.297 17.592 ( 2.113 -4.251 -1.475) 4.971 17.860 ( -0.248 1.822 -0.168) 1.846 17.961 ( 0.464 -6.636 4.810) 8.209 19.272 ( -6.009 7.193 2.365) 9.666 19.317 ( -7.527 2.735 2.647) 8.435 20.207 ( 2.902 -0.971 -2.490) 3.945 20.306 ( -0.064 -10.278 -4.691) 11.298 20.917 ( 7.376 2.777 -5.130) 9.404 20.978 ( 8.069 -3.722 -3.924) 9.713 21.785 ( -3.622 2.584 -0.127) 4.451 21.819 ( -4.500 -0.818 -0.488) 4.600 22.129 ( -0.687 5.199 4.146) 6.686 22.194 ( -3.294 -1.129 2.813) 4.477 24.317 ( -0.412 2.709 1.381) 3.069 24.388 ( 0.500 -4.586 2.469) 5.233 108.026 ( -0.089 0.973 0.405) 1.057 108.047 ( -0.149 -1.168 0.743) 1.392 108.967 ( -0.361 0.910 -0.631) 1.165 108.968 ( -0.361 0.903 -0.574) 1.130 109.168 ( 0.585 1.110 -0.126) 1.261 109.208 ( 0.411 -2.818 -0.981) 3.012 ======================= Grid point 158 (89/148) ======================= q-point: (-0.44 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( 0.450 4.559 -2.948) 5.447 1.830 ( -1.854 -4.905 -1.514) 5.458 2.116 ( -0.446 1.359 1.140) 1.828 2.140 ( -0.859 -1.299 1.620) 2.247 2.447 ( -0.439 1.438 8.238) 8.374 2.476 ( 3.068 -1.734 9.458) 10.093 3.384 ( -3.121 10.086 -4.085) 11.321 3.589 ( -0.170 -9.778 -3.217) 10.295 3.797 ( -11.020 11.181 -2.506) 15.898 4.055 ( -5.328 -12.842 -3.111) 14.247 4.671 ( 0.285 12.723 -1.599) 12.826 4.845 ( 0.943 -4.525 -2.498) 5.254 4.876 ( 10.312 0.859 -0.695) 10.371 4.990 ( 3.297 -10.136 0.449) 10.668 5.849 ( 1.170 7.199 -0.549) 7.314 6.007 ( 0.559 -8.516 -0.581) 8.554 7.829 ( -1.958 6.378 -0.933) 6.737 7.909 ( 6.616 -1.550 -1.333) 6.925 8.320 ( -1.623 5.938 -0.148) 6.158 8.453 ( 0.021 -7.289 0.710) 7.324 9.029 ( 0.908 2.362 -0.760) 2.642 9.073 ( 1.200 -2.265 -1.870) 3.173 9.652 ( 0.624 16.759 -1.822) 16.869 9.970 ( 2.281 -13.168 -1.145) 13.413 10.175 ( 0.715 4.753 0.484) 4.830 10.344 ( 3.314 -10.472 -0.487) 10.994 10.885 ( 2.724 7.202 1.083) 7.776 11.041 ( 1.224 -7.697 2.038) 8.056 11.608 ( -7.539 3.656 2.719) 8.809 11.686 ( -5.413 -3.969 5.036) 8.391 12.145 ( 2.565 8.526 1.072) 8.968 12.286 ( 3.474 -5.388 2.329) 6.821 12.705 ( 2.657 0.419 -0.673) 2.772 12.766 ( 0.852 -4.812 -1.341) 5.068 13.030 ( 2.861 3.799 4.087) 6.271 13.123 ( 1.474 -5.462 3.160) 6.480 13.597 ( 1.813 2.437 -2.152) 3.722 13.645 ( 5.713 -2.657 1.439) 6.463 14.761 ( -3.883 2.744 -4.062) 6.254 14.849 ( -3.236 -6.641 -5.025) 8.934 15.655 ( -1.105 6.250 0.673) 6.382 15.757 ( -0.975 -5.092 0.524) 5.211 16.561 ( -2.852 8.862 0.526) 9.325 16.597 ( -3.203 6.164 0.842) 6.997 17.529 ( -2.505 3.418 -4.830) 6.425 17.598 ( -0.852 -2.971 1.453) 3.415 17.812 ( -4.130 -0.684 -1.325) 4.392 17.902 ( -5.937 -7.791 5.757) 11.362 19.163 ( -4.357 6.560 1.775) 8.072 19.211 ( -2.571 1.811 2.522) 4.031 20.232 ( -0.448 -1.874 -2.563) 3.206 20.301 ( -0.518 -8.652 -4.631) 9.827 21.065 ( 7.224 4.836 -5.227) 10.143 21.163 ( 9.792 -5.417 -4.528) 12.071 21.711 ( -3.283 2.922 0.949) 4.496 21.754 ( -1.311 -1.379 0.702) 2.028 22.124 ( -0.440 4.064 3.955) 5.688 22.161 ( 0.048 0.385 2.348) 2.380 24.317 ( 0.288 3.299 1.310) 3.562 24.399 ( 0.333 -5.150 2.509) 5.739 108.027 ( 0.105 1.058 0.414) 1.141 108.050 ( 0.377 -1.339 0.735) 1.574 108.964 ( 0.152 1.096 -0.633) 1.275 108.967 ( 0.242 0.700 -0.587) 0.945 109.173 ( -0.130 1.000 -0.105) 1.014 109.210 ( -0.206 -2.613 -0.998) 2.805 ======================= Grid point 159 (90/148) ======================= q-point: (-0.33 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( -3.607 3.025 1.159) 4.849 1.749 ( -3.106 -2.097 -0.215) 3.754 2.099 ( -2.789 1.444 4.290) 5.317 2.131 ( -1.285 -1.788 1.910) 2.914 2.433 ( -0.654 4.325 6.561) 7.886 2.519 ( 0.406 -4.381 6.711) 8.025 3.267 ( -7.060 11.461 -7.179) 15.256 3.463 ( -9.220 -7.660 -4.932) 12.961 3.596 ( -9.760 7.546 0.405) 12.343 3.861 ( -14.089 -16.802 -2.266) 22.045 4.670 ( 0.981 8.687 -1.715) 8.909 4.782 ( -3.257 -3.374 -2.441) 5.286 5.179 ( 16.944 2.289 -0.955) 17.124 5.241 ( 17.608 -3.031 -0.604) 17.878 5.921 ( 6.563 5.345 0.492) 8.479 6.053 ( 5.116 -7.642 0.982) 9.248 7.834 ( 1.237 11.586 -0.151) 11.653 8.050 ( 3.702 -10.229 -0.571) 10.894 8.270 ( -0.937 7.097 -1.264) 7.269 8.414 ( -4.051 -7.310 -1.086) 8.428 9.052 ( 0.478 3.954 0.959) 4.096 9.119 ( 2.676 -2.805 -1.194) 4.057 9.687 ( 3.642 14.354 -3.342) 15.181 9.980 ( -0.088 -15.786 -1.995) 15.912 10.301 ( 10.953 9.933 -0.420) 14.792 10.477 ( 8.362 -8.097 -0.854) 11.671 10.936 ( 1.300 6.011 0.890) 6.214 11.043 ( -1.896 -2.823 1.255) 3.624 11.384 ( -11.487 1.755 2.612) 11.911 11.492 ( -11.410 -9.720 3.481) 15.388 12.231 ( 5.028 10.330 1.754) 11.622 12.384 ( 4.503 -2.197 3.378) 6.043 12.716 ( -2.249 -2.725 -1.159) 3.718 12.769 ( 1.454 -5.782 -1.853) 6.243 13.137 ( 5.813 2.907 3.094) 7.198 13.198 ( 4.259 -2.881 1.907) 5.484 13.656 ( 4.337 7.167 0.189) 8.379 13.800 ( 8.143 -7.730 4.300) 12.023 14.651 ( -6.035 3.109 -2.536) 7.246 14.756 ( -5.134 -7.912 -3.230) 9.969 15.599 ( -4.201 6.180 0.434) 7.485 15.705 ( -4.002 -5.444 0.356) 6.766 16.438 ( -8.691 8.274 0.167) 12.001 16.479 ( -7.714 4.808 0.411) 9.099 17.392 ( -9.210 9.234 -6.414) 14.534 17.544 ( -6.370 -6.727 -1.357) 9.363 17.692 ( -5.844 0.903 2.190) 6.306 17.783 ( -5.034 -8.655 4.806) 11.106 19.090 ( -2.883 9.549 2.725) 10.340 19.213 ( 2.142 -2.393 2.438) 4.033 20.198 ( -2.130 -1.687 -3.269) 4.251 20.264 ( -2.482 -8.318 -5.375) 10.210 21.212 ( 7.436 8.205 -5.882) 12.539 21.367 ( 9.978 -7.839 -5.484) 13.824 21.663 ( -1.424 5.446 2.497) 6.157 21.760 ( 1.371 -4.348 2.387) 5.147 22.119 ( -0.178 5.416 3.514) 6.458 22.181 ( 1.300 -0.830 0.978) 1.826 24.327 ( 0.511 2.988 0.822) 3.140 24.404 ( -0.099 -4.865 1.790) 5.185 108.032 ( 0.320 1.411 0.525) 1.539 108.063 ( 0.797 -1.869 0.909) 2.226 108.973 ( 0.777 1.164 -0.633) 1.536 108.977 ( 0.706 0.663 -0.569) 1.124 109.163 ( -0.839 0.921 -0.181) 1.259 109.196 ( -0.974 -2.415 -1.182) 2.859 ======================= Grid point 160 (91/148) ======================= q-point: (-0.22 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( -2.689 7.536 4.905) 9.385 1.742 ( 0.973 -4.051 2.830) 5.036 1.984 ( -8.148 4.597 9.666) 13.452 2.076 ( -3.863 -3.917 4.590) 7.165 2.437 ( 0.104 3.871 2.669) 4.702 2.506 ( -1.758 -3.708 2.779) 4.956 3.071 ( -12.268 16.682 -7.064) 21.879 3.306 ( -4.041 -2.588 -3.769) 6.102 3.374 ( -10.823 -3.144 -0.205) 11.272 3.485 ( -18.969 -19.271 -3.220) 27.232 4.733 ( 5.128 4.666 -2.798) 7.476 4.774 ( 2.613 -0.068 -3.058) 4.023 5.537 ( 17.144 6.368 -0.601) 18.298 5.632 ( 18.630 -3.254 -0.557) 18.920 6.109 ( 10.440 5.279 1.825) 11.841 6.228 ( 10.358 -6.475 2.490) 12.467 7.840 ( -1.230 10.302 -0.187) 10.377 7.980 ( -7.889 -2.946 -0.855) 8.465 8.301 ( -4.824 -2.378 -1.247) 5.521 8.347 ( 5.802 -8.286 -1.240) 10.191 9.029 ( -2.781 4.753 1.298) 5.657 9.132 ( -2.214 -5.282 -0.156) 5.729 9.782 ( 4.394 12.596 -4.612) 14.115 10.014 ( 2.843 -11.168 -3.582) 12.068 10.541 ( 9.602 7.784 -0.645) 12.378 10.642 ( 6.037 -3.574 -0.294) 7.021 10.871 ( -6.498 9.217 0.100) 11.278 11.018 ( 2.234 -2.427 -0.217) 3.305 11.241 ( -1.489 -2.033 2.432) 3.503 11.321 ( -3.735 -11.393 2.315) 12.211 12.310 ( 0.961 9.537 0.106) 9.586 12.421 ( -1.923 2.325 1.466) 3.354 12.672 ( -0.544 1.387 -0.946) 1.765 12.829 ( 4.290 -10.712 1.078) 11.589 13.237 ( 3.173 0.121 3.365) 4.626 13.264 ( 1.386 -1.886 1.512) 2.786 13.771 ( 6.134 7.583 1.759) 9.911 13.944 ( 4.411 -10.189 3.420) 11.617 14.536 ( -4.094 2.763 1.955) 5.312 14.632 ( -6.963 -7.060 -1.044) 9.971 15.491 ( -5.834 5.231 0.486) 7.851 15.597 ( -6.165 -5.997 0.409) 8.611 16.230 ( -10.144 8.961 -0.686) 13.553 16.307 ( -7.899 1.263 0.446) 8.012 17.181 ( -9.619 10.767 -6.782) 15.951 17.328 ( -12.019 -4.001 -3.387) 13.112 17.610 ( -3.664 0.850 3.754) 5.314 17.700 ( -3.144 -8.583 3.330) 9.728 19.050 ( -1.097 14.150 4.874) 15.006 19.285 ( 4.208 -8.665 2.933) 10.069 20.157 ( -1.316 -1.575 -3.234) 3.831 20.214 ( -1.166 -6.718 -6.730) 9.580 21.354 ( 6.011 10.530 -9.891) 15.648 21.543 ( 5.902 -8.848 -9.344) 14.157 21.656 ( 1.084 7.165 5.222) 8.932 21.799 ( 2.012 -7.215 5.449) 9.262 22.122 ( 0.232 6.959 3.427) 7.761 22.211 ( 1.618 -2.124 0.086) 2.671 24.333 ( -0.093 2.334 0.375) 2.366 24.397 ( -0.611 -4.210 0.792) 4.327 108.040 ( 0.359 1.827 0.725) 1.998 108.082 ( 0.785 -2.547 1.213) 2.928 108.992 ( 0.876 0.950 -0.536) 1.399 108.995 ( 1.194 0.774 -0.688) 1.580 109.141 ( -1.162 0.802 -0.362) 1.458 109.169 ( -1.469 -1.946 -1.375) 2.799 ======================= Grid point 161 (92/148) ======================= q-point: (-0.11 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( -2.158 11.241 9.244) 14.712 1.709 ( -5.222 7.205 8.141) 12.060 1.851 ( -4.441 -2.783 8.071) 9.623 2.005 ( -2.656 -9.032 5.601) 10.955 2.407 ( -2.945 6.934 1.460) 7.674 2.484 ( -0.217 -1.877 -1.063) 2.169 2.795 ( -11.147 11.408 -0.895) 15.975 3.023 ( -17.495 -6.374 2.083) 18.736 3.287 ( -0.885 -5.126 -6.064) 7.989 3.335 ( 3.846 -11.570 -5.383) 13.329 4.842 ( 3.992 2.097 -3.959) 6.000 4.849 ( 4.064 1.533 -4.246) 6.074 5.866 ( 13.449 8.386 0.384) 15.854 5.967 ( 12.503 -2.286 0.336) 12.714 6.305 ( 7.162 6.340 2.336) 9.847 6.418 ( 6.432 -4.907 2.628) 8.506 7.769 ( -4.842 1.623 -1.503) 5.323 7.807 ( -7.389 -2.993 -1.019) 8.037 8.249 ( 0.606 7.928 -0.768) 7.989 8.484 ( 6.791 -15.279 -0.442) 16.726 8.950 ( -4.329 2.176 1.127) 4.975 9.033 ( -6.443 -5.934 0.790) 8.795 9.818 ( -0.560 11.632 -4.747) 12.576 10.020 ( -2.355 -9.040 -3.411) 9.945 10.595 ( -1.992 6.604 -0.923) 6.960 10.722 ( 3.191 -6.108 -0.876) 6.947 10.857 ( 3.774 15.074 -0.179) 15.540 11.113 ( 4.129 -8.456 -0.428) 9.420 11.291 ( 3.560 -0.341 0.622) 3.630 11.367 ( 8.530 -5.401 1.253) 10.173 12.257 ( -4.837 4.472 -3.157) 7.305 12.286 ( -10.333 2.421 -1.520) 10.721 12.725 ( 4.419 7.476 3.039) 9.200 12.899 ( 0.874 -7.482 3.932) 8.497 13.245 ( -2.347 -1.821 2.830) 4.103 13.287 ( 1.215 -4.681 6.270) 7.918 13.881 ( 3.432 4.574 -0.193) 5.722 13.991 ( 0.946 -6.541 -0.663) 6.642 14.455 ( -8.761 -0.244 -0.609) 8.786 14.492 ( -1.397 -4.750 5.112) 7.117 15.375 ( -5.126 3.267 1.433) 6.245 15.465 ( -6.133 -6.120 1.134) 8.738 16.078 ( -3.119 10.152 -1.319) 10.702 16.195 ( -2.165 -2.134 1.106) 3.235 17.013 ( -5.698 8.952 -5.212) 11.823 17.107 ( -7.802 -0.568 -3.190) 8.448 17.534 ( -3.403 3.494 2.100) 5.310 17.658 ( -1.326 -9.399 2.801) 9.897 19.064 ( 2.226 17.337 7.249) 18.923 19.388 ( 5.427 -14.525 3.874) 15.982 20.143 ( 0.321 0.667 -4.052) 4.119 20.217 ( 1.882 -5.751 -7.164) 9.378 21.382 ( -3.588 9.479 -13.926) 17.224 21.530 ( -5.802 -4.655 -8.609) 11.378 21.741 ( 5.621 5.111 3.455) 8.345 21.873 ( 4.501 -7.238 5.638) 10.219 22.142 ( 1.513 7.822 3.529) 8.714 22.260 ( 3.384 -4.221 0.080) 5.411 24.324 ( -0.683 2.198 0.408) 2.337 24.383 ( -0.735 -3.763 0.117) 3.836 108.046 ( 0.109 2.068 0.949) 2.278 108.094 ( 0.176 -2.964 1.547) 3.348 109.007 ( 0.531 1.133 -0.446) 1.329 109.019 ( 0.967 0.109 -0.889) 1.319 109.119 ( -0.761 0.790 -0.714) 1.309 109.140 ( -0.937 -1.233 -1.294) 2.018 ======================= Grid point 189 (93/148) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( 1.071 0.000 5.666) 5.766 1.296 ( -4.481 0.000 17.091) 17.669 1.981 ( 4.222 0.000 -1.245) 4.402 2.062 ( 2.377 0.000 0.193) 2.385 2.530 ( 3.600 0.000 29.308) 29.529 2.605 ( 0.821 0.000 -5.041) 5.107 2.615 ( -2.042 0.000 -7.491) 7.764 2.815 ( -9.157 0.000 4.533) 10.218 3.642 ( -5.905 0.000 -6.975) 9.139 4.074 ( 5.284 0.000 -15.672) 16.539 4.379 ( 0.580 0.000 0.635) 0.860 4.716 ( -0.035 0.000 0.631) 0.632 5.378 ( -0.088 0.000 0.245) 0.260 6.030 ( -0.253 0.000 0.826) 0.863 6.130 ( 0.337 0.000 0.439) 0.553 6.546 ( 0.892 0.000 0.079) 0.896 7.668 ( 0.143 0.000 -0.095) 0.172 8.005 ( -0.358 0.000 -2.428) 2.455 8.531 ( 0.446 0.000 -0.321) 0.549 9.016 ( 4.429 0.000 0.103) 4.430 9.271 ( -4.169 0.000 2.184) 4.707 9.300 ( 0.229 0.000 0.130) 0.263 9.376 ( 1.805 0.000 -0.951) 2.040 9.737 ( -2.120 0.000 -1.296) 2.485 10.463 ( 0.590 0.000 0.497) 0.771 10.598 ( -1.309 0.000 1.358) 1.885 10.792 ( 0.701 0.000 -0.503) 0.863 11.271 ( 0.770 0.000 -0.820) 1.125 11.346 ( 1.403 0.000 -1.053) 1.754 11.645 ( 5.254 0.000 2.380) 5.767 11.822 ( -8.878 0.000 -3.781) 9.650 12.427 ( -2.710 0.000 2.981) 4.029 12.448 ( -0.656 0.000 -0.351) 0.744 12.719 ( 2.657 0.000 -0.564) 2.716 13.260 ( -0.158 0.000 -0.057) 0.168 13.744 ( -9.000 0.000 -0.618) 9.021 13.833 ( -0.092 0.000 0.663) 0.670 14.259 ( -0.668 0.000 0.333) 0.746 14.388 ( 0.076 0.000 0.289) 0.298 14.540 ( -0.575 0.000 0.497) 0.761 15.512 ( 0.743 0.000 4.150) 4.216 15.798 ( -0.395 0.000 -0.990) 1.066 15.864 ( -1.506 0.000 -0.283) 1.533 16.239 ( 11.703 0.000 -0.030) 11.703 16.516 ( 8.972 0.000 1.279) 9.063 16.533 ( -8.971 0.000 -0.509) 8.986 17.340 ( -2.098 0.000 -0.752) 2.229 18.523 ( 2.533 0.000 5.424) 5.987 18.595 ( 0.885 0.000 -0.635) 1.089 19.155 ( 0.126 0.000 -3.932) 3.934 20.440 ( 1.606 0.000 2.417) 2.902 20.460 ( -5.956 0.000 -7.962) 9.943 20.817 ( -3.044 0.000 -1.217) 3.279 21.429 ( -3.945 0.000 13.267) 13.841 21.577 ( -0.713 0.000 7.605) 7.638 21.968 ( 0.848 0.000 -6.422) 6.478 22.116 ( 3.809 0.000 1.321) 4.032 22.354 ( 5.002 0.000 -12.872) 13.809 24.344 ( 0.248 0.000 2.260) 2.274 24.494 ( -1.400 0.000 -0.665) 1.550 107.995 ( -0.172 0.000 0.151) 0.228 108.286 ( -1.699 0.000 0.160) 1.707 108.888 ( 0.309 0.000 0.532) 0.615 108.946 ( -0.077 0.000 -0.786) 0.790 109.122 ( -0.784 0.000 0.658) 1.024 109.174 ( 2.140 0.000 -1.274) 2.491 ======================= Grid point 190 (94/148) ======================= q-point: ( 0.11 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 13.129 0.000 3.403) 13.563 1.348 ( 5.166 0.000 18.008) 18.734 2.035 ( 1.248 0.000 -4.463) 4.634 2.122 ( 3.182 0.000 -1.310) 3.442 2.584 ( 0.923 0.000 5.345) 5.424 2.596 ( 0.755 0.000 -5.545) 5.596 2.668 ( -2.777 0.000 6.851) 7.392 2.880 ( 20.964 0.000 19.852) 28.872 3.586 ( 1.247 0.000 -10.816) 10.887 4.181 ( 6.535 0.000 -11.965) 13.633 4.250 ( -11.868 0.000 0.437) 11.876 4.707 ( -1.095 0.000 0.479) 1.195 5.329 ( -4.171 0.000 0.142) 4.173 5.955 ( -7.723 0.000 0.877) 7.773 6.100 ( -2.993 0.000 0.050) 2.994 6.510 ( -4.109 0.000 -0.488) 4.138 7.642 ( -2.675 0.000 -0.209) 2.683 7.984 ( -1.257 0.000 -2.044) 2.399 8.520 ( -0.423 0.000 -0.878) 0.975 8.928 ( -10.956 0.000 -2.936) 11.343 9.208 ( -2.107 0.000 3.441) 4.035 9.327 ( -5.598 0.000 -1.505) 5.797 9.333 ( 1.792 0.000 0.061) 1.793 9.810 ( 6.731 0.000 0.063) 6.732 10.519 ( 5.159 0.000 0.933) 5.242 10.660 ( 6.471 0.000 1.113) 6.566 10.676 ( -8.314 0.000 -0.395) 8.323 11.284 ( -4.003 0.000 -1.321) 4.215 11.385 ( 2.333 0.000 -1.708) 2.891 11.504 ( -9.536 0.000 0.278) 9.540 11.886 ( 7.906 0.000 6.647) 10.329 12.183 ( -8.232 0.000 -2.038) 8.480 12.443 ( 0.347 0.000 0.090) 0.358 12.984 ( 9.092 0.000 1.343) 9.191 13.210 ( -4.653 0.000 0.065) 4.654 13.744 ( -7.193 0.000 0.439) 7.206 13.755 ( 5.918 0.000 5.530) 8.099 14.343 ( 6.037 0.000 0.784) 6.088 14.385 ( 4.675 0.000 0.888) 4.758 14.609 ( 5.976 0.000 1.170) 6.090 15.545 ( 1.704 0.000 3.396) 3.800 15.722 ( -5.979 0.000 -0.723) 6.023 15.890 ( 0.876 0.000 0.348) 0.942 16.319 ( 2.217 0.000 -13.153) 13.339 16.320 ( -7.123 0.000 -0.063) 7.123 16.866 ( 19.000 0.000 0.864) 19.019 17.452 ( 10.610 0.000 1.199) 10.677 18.581 ( -1.792 0.000 0.223) 1.806 18.588 ( 3.313 0.000 3.652) 4.931 19.191 ( 3.429 0.000 -3.815) 5.129 20.351 ( -2.731 0.000 -2.655) 3.808 20.433 ( -2.242 0.000 0.011) 2.242 20.768 ( -1.621 0.000 1.659) 2.320 21.381 ( -1.961 0.000 12.010) 12.169 21.564 ( -1.147 0.000 7.302) 7.391 21.955 ( -1.504 0.000 -6.214) 6.394 22.174 ( 1.216 0.000 2.409) 2.699 22.391 ( -0.679 0.000 -17.031) 17.045 24.388 ( 3.746 0.000 2.488) 4.496 24.464 ( -1.626 0.000 -0.230) 1.642 107.991 ( -0.183 0.000 0.216) 0.283 108.238 ( -2.627 0.000 2.003) 3.303 108.893 ( 0.096 0.000 0.284) 0.300 108.938 ( -0.606 0.000 -0.769) 0.979 109.118 ( 0.440 0.000 0.612) 0.754 109.225 ( 2.436 0.000 -2.770) 3.688 ======================= Grid point 191 (95/148) ======================= q-point: ( 0.22 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( 18.036 0.000 1.122) 18.071 1.441 ( 1.820 0.000 14.808) 14.919 2.051 ( 0.916 0.000 -2.976) 3.114 2.183 ( 2.649 0.000 -2.870) 3.905 2.589 ( -0.305 0.000 2.323) 2.343 2.632 ( 2.738 0.000 -2.837) 3.942 2.658 ( 0.927 0.000 5.746) 5.820 3.370 ( 17.863 0.000 14.335) 22.903 3.734 ( 16.695 0.000 -7.447) 18.281 3.955 ( -14.900 0.000 0.610) 14.912 4.356 ( 11.814 0.000 -7.300) 13.888 4.663 ( -3.069 0.000 -0.242) 3.078 5.222 ( -6.140 0.000 0.149) 6.142 5.707 ( -15.260 0.000 0.762) 15.279 6.020 ( -4.391 0.000 -0.362) 4.406 6.400 ( -5.599 0.000 -0.287) 5.607 7.556 ( -5.385 0.000 -0.368) 5.398 7.960 ( -0.810 0.000 -1.932) 2.095 8.541 ( 2.516 0.000 -1.348) 2.854 8.662 ( -14.158 0.000 -3.039) 14.480 9.132 ( -5.684 0.000 -1.294) 5.830 9.187 ( -6.576 0.000 0.248) 6.581 9.340 ( -1.261 0.000 0.316) 1.300 9.908 ( 1.660 0.000 -0.840) 1.861 10.601 ( 2.356 0.000 2.277) 3.277 10.674 ( 8.836 0.000 1.466) 8.957 10.834 ( 9.590 0.000 0.122) 9.591 10.959 ( -19.653 0.000 0.056) 19.653 11.436 ( 2.711 0.000 -1.519) 3.107 11.528 ( 4.117 0.000 0.860) 4.206 11.963 ( 2.968 0.000 8.244) 8.762 12.190 ( 4.657 0.000 -1.043) 4.772 12.467 ( 1.954 0.000 0.180) 1.962 13.056 ( 0.117 0.000 2.749) 2.752 13.070 ( -8.640 0.000 0.144) 8.642 13.587 ( -7.188 0.000 0.106) 7.189 13.794 ( -2.748 0.000 3.596) 4.526 14.378 ( 1.347 0.000 2.862) 3.164 14.679 ( 13.381 0.000 3.522) 13.837 14.742 ( 6.022 0.000 1.706) 6.258 15.531 ( -4.347 0.000 1.868) 4.731 15.592 ( -5.588 0.000 -0.829) 5.650 15.901 ( 4.714 0.000 -6.243) 7.823 16.208 ( -4.061 0.000 -0.253) 4.068 16.475 ( 12.428 0.000 -16.600) 20.736 17.271 ( 18.978 0.000 1.379) 19.028 17.687 ( 10.571 0.000 2.491) 10.860 18.552 ( -0.400 0.000 1.981) 2.021 18.671 ( 4.527 0.000 2.472) 5.158 19.258 ( 2.131 0.000 -2.322) 3.152 20.369 ( 4.467 0.000 -1.439) 4.693 20.381 ( -1.516 0.000 -3.265) 3.600 20.739 ( -1.811 0.000 3.391) 3.845 21.357 ( -1.171 0.000 8.446) 8.527 21.543 ( -1.246 0.000 6.472) 6.590 21.901 ( -3.086 0.000 -5.168) 6.019 22.160 ( -2.664 0.000 1.779) 3.203 22.305 ( -5.819 0.000 -13.250) 14.471 24.421 ( -2.519 0.000 0.057) 2.520 24.488 ( 5.247 0.000 2.625) 5.867 107.990 ( 0.110 0.000 0.110) 0.156 108.187 ( -2.386 0.000 2.319) 3.327 108.893 ( -0.056 0.000 -0.051) 0.076 108.921 ( -0.958 0.000 -0.675) 1.171 109.139 ( 1.380 0.000 0.851) 1.621 109.262 ( 1.311 0.000 -3.088) 3.355 ======================= Grid point 192 (96/148) ======================= q-point: ( 0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( -0.079 0.000 6.359) 6.359 1.694 ( 15.998 0.000 -0.324) 16.001 2.069 ( 0.896 0.000 0.214) 0.921 2.212 ( -0.042 0.000 -2.693) 2.693 2.593 ( 0.276 0.000 2.640) 2.654 2.687 ( 1.293 0.000 4.665) 4.841 2.696 ( 3.609 0.000 -1.296) 3.834 3.620 ( 9.501 0.000 4.018) 10.316 3.688 ( -10.042 0.000 0.493) 10.054 4.115 ( 12.904 0.000 -1.654) 13.010 4.593 ( -3.158 0.000 -0.687) 3.232 4.691 ( 20.497 0.000 -2.319) 20.627 5.055 ( -10.445 0.000 0.124) 10.445 5.407 ( -11.315 0.000 0.558) 11.328 5.931 ( -3.849 0.000 -0.177) 3.853 6.314 ( -2.166 0.000 0.176) 2.173 7.450 ( -3.557 0.000 -0.238) 3.565 7.949 ( -0.160 0.000 -2.233) 2.238 8.307 ( -19.916 0.000 -2.752) 20.105 8.605 ( 3.223 0.000 -1.309) 3.479 9.004 ( -4.811 0.000 -4.913) 6.876 9.094 ( -2.495 0.000 1.252) 2.791 9.295 ( -2.546 0.000 0.405) 2.578 9.908 ( -0.738 0.000 -0.771) 1.067 10.507 ( -15.525 0.000 2.222) 15.683 10.808 ( 7.698 0.000 1.258) 7.800 10.853 ( 7.783 0.000 1.321) 7.894 11.016 ( 6.573 0.000 -0.003) 6.573 11.506 ( 4.517 0.000 -1.018) 4.630 11.600 ( 4.405 0.000 0.323) 4.417 12.064 ( 1.254 0.000 11.205) 11.275 12.280 ( 6.708 0.000 2.034) 7.010 12.521 ( 3.002 0.000 0.007) 3.002 12.869 ( -9.991 0.000 0.182) 9.993 13.050 ( -0.945 0.000 -2.093) 2.296 13.461 ( -4.796 0.000 -0.030) 4.796 13.728 ( -1.608 0.000 3.237) 3.614 14.349 ( -6.259 0.000 5.229) 8.156 14.816 ( 1.200 0.000 0.082) 1.203 14.844 ( 3.526 0.000 1.685) 3.908 15.476 ( 0.846 0.000 -1.725) 1.922 15.507 ( -2.455 0.000 -1.228) 2.745 16.065 ( 8.871 0.000 -3.671) 9.600 16.142 ( -2.385 0.000 -0.516) 2.440 16.707 ( 9.441 0.000 -16.221) 18.768 17.625 ( 14.446 0.000 1.562) 14.530 17.871 ( 6.886 0.000 3.207) 7.596 18.572 ( 1.761 0.000 2.177) 2.799 18.773 ( 4.684 0.000 3.320) 5.742 19.238 ( -4.249 0.000 -0.088) 4.250 20.404 ( 4.432 0.000 -5.608) 7.148 20.509 ( 8.320 0.000 -2.196) 8.605 20.690 ( -3.110 0.000 2.099) 3.752 21.349 ( -0.035 0.000 3.851) 3.851 21.527 ( -0.650 0.000 5.069) 5.110 21.826 ( -3.678 0.000 -3.048) 4.777 22.082 ( -4.344 0.000 1.048) 4.468 22.154 ( -7.401 0.000 -6.390) 9.778 24.363 ( -2.935 0.000 0.382) 2.960 24.595 ( 4.494 0.000 3.179) 5.505 107.995 ( 0.287 0.000 0.003) 0.287 108.145 ( -1.755 0.000 1.774) 2.496 108.892 ( -0.022 0.000 -0.423) 0.423 108.900 ( -1.012 0.000 -0.440) 1.103 109.171 ( 1.443 0.000 1.171) 1.858 109.278 ( 0.547 0.000 -2.759) 2.813 ======================= Grid point 193 (97/148) ======================= q-point: ( 0.44 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 1.646 0.000 -1.033) 1.943 1.942 ( 6.763 0.000 -0.402) 6.775 2.088 ( 0.872 0.000 0.989) 1.319 2.172 ( -3.092 0.000 -1.479) 3.428 2.591 ( -0.931 0.000 3.846) 3.957 2.718 ( 1.268 0.000 3.791) 3.998 2.773 ( 3.265 0.000 -1.206) 3.480 3.551 ( -3.342 0.000 0.318) 3.357 3.822 ( 9.381 0.000 4.557) 10.429 4.206 ( -2.479 0.000 -3.566) 4.343 4.548 ( -1.011 0.000 -0.216) 1.033 4.843 ( -7.107 0.000 -0.825) 7.154 5.067 ( 11.767 0.000 -0.950) 11.805 5.270 ( -2.585 0.000 0.579) 2.649 5.874 ( -1.372 0.000 0.361) 1.419 6.300 ( 0.075 0.000 0.264) 0.274 7.454 ( 4.198 0.000 0.286) 4.208 7.893 ( -16.867 0.000 -2.103) 16.997 7.949 ( 0.409 0.000 -2.749) 2.780 8.652 ( 1.034 0.000 -0.851) 1.339 8.930 ( -2.888 0.000 -3.173) 4.290 9.080 ( 0.956 0.000 -0.623) 1.141 9.254 ( -0.999 0.000 0.142) 1.009 9.882 ( -1.492 0.000 -0.005) 1.492 10.270 ( -5.256 0.000 0.806) 5.317 10.948 ( 3.944 0.000 0.206) 3.949 10.987 ( 4.660 0.000 0.896) 4.746 11.075 ( -0.493 0.000 0.588) 0.768 11.602 ( 3.099 0.000 -0.262) 3.110 11.722 ( 3.656 0.000 -0.653) 3.714 12.015 ( -0.684 0.000 14.756) 14.772 12.501 ( 12.124 0.000 1.827) 12.261 12.574 ( 1.644 0.000 -0.319) 1.675 12.702 ( -4.676 0.000 0.009) 4.676 12.970 ( -6.716 0.000 -7.322) 9.935 13.391 ( -1.818 0.000 -0.023) 1.818 13.794 ( 7.198 0.000 6.588) 9.758 14.131 ( -12.685 0.000 2.749) 12.980 14.820 ( -0.181 0.000 -2.966) 2.972 14.893 ( 1.251 0.000 1.298) 1.803 15.484 ( 0.052 0.000 -1.822) 1.823 15.520 ( 1.864 0.000 -1.367) 2.312 16.109 ( -0.689 0.000 -0.765) 1.030 16.198 ( 3.416 0.000 -0.907) 3.535 16.806 ( 1.185 0.000 -13.874) 13.924 17.852 ( 6.849 0.000 0.544) 6.871 17.976 ( 2.969 0.000 2.954) 4.188 18.605 ( 0.828 0.000 1.646) 1.843 18.846 ( 1.048 0.000 6.503) 6.586 19.107 ( -6.944 0.000 2.111) 7.258 20.538 ( 7.824 0.000 -5.735) 9.701 20.618 ( -3.469 0.000 -2.074) 4.042 20.667 ( 5.893 0.000 -3.519) 6.864 21.369 ( 2.193 0.000 -0.975) 2.400 21.532 ( 1.040 0.000 2.948) 3.126 21.750 ( -3.338 0.000 0.048) 3.338 22.008 ( -4.648 0.000 0.116) 4.649 22.009 ( -3.568 0.000 0.815) 3.660 24.311 ( -1.914 0.000 1.076) 2.195 24.670 ( 2.379 0.000 3.104) 3.911 108.000 ( 0.182 0.000 -0.029) 0.184 108.121 ( -0.513 0.000 1.218) 1.321 108.880 ( -0.772 0.000 -0.349) 0.847 108.893 ( 0.218 0.000 -0.484) 0.531 109.196 ( 0.799 0.000 1.332) 1.553 109.282 ( 0.023 0.000 -2.515) 2.515 ======================= Grid point 194 (98/148) ======================= q-point: (-0.44 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 4.410 0.000 -4.084) 6.011 1.916 ( -8.998 0.000 1.187) 9.076 2.099 ( -0.326 0.000 0.355) 0.482 2.137 ( -0.308 0.000 -0.756) 0.817 2.558 ( -2.378 0.000 5.470) 5.965 2.740 ( 0.469 0.000 2.714) 2.754 2.806 ( 0.130 0.000 -2.372) 2.376 3.543 ( 2.656 0.000 0.605) 2.724 3.982 ( 4.231 0.000 5.354) 6.824 4.065 ( -9.285 0.000 -4.855) 10.478 4.539 ( 0.056 0.000 -0.010) 0.057 4.845 ( 7.382 0.000 -0.781) 7.423 5.082 ( -10.181 0.000 -1.424) 10.280 5.282 ( 3.747 0.000 0.086) 3.748 5.876 ( 1.465 0.000 0.296) 1.495 6.298 ( -0.447 0.000 0.365) 0.577 7.477 ( -4.335 0.000 -0.666) 4.386 7.836 ( 13.844 0.000 0.213) 13.846 7.960 ( 0.800 0.000 -3.201) 3.299 8.640 ( -2.148 0.000 -0.309) 2.171 8.868 ( -2.188 0.000 -0.649) 2.282 9.116 ( 2.122 0.000 -1.888) 2.841 9.262 ( 1.612 0.000 -0.141) 1.618 9.870 ( 0.314 0.000 0.462) 0.559 10.309 ( 8.804 0.000 -0.983) 8.859 10.961 ( -2.726 0.000 -0.306) 2.743 10.990 ( -4.654 0.000 0.857) 4.732 11.069 ( 0.099 0.000 0.730) 0.737 11.576 ( -5.374 0.000 0.779) 5.431 11.636 ( -7.525 0.000 4.095) 8.567 12.177 ( 8.932 0.000 7.148) 11.440 12.585 ( -0.515 0.000 -0.776) 0.931 12.710 ( 5.249 0.000 -0.296) 5.257 12.710 ( 4.423 0.000 0.946) 4.523 12.823 ( -2.190 0.000 -9.442) 9.693 13.390 ( 1.666 0.000 0.053) 1.667 13.809 ( -8.311 0.000 5.017) 9.708 14.110 ( 13.705 0.000 6.105) 15.003 14.797 ( -1.956 0.000 -2.796) 3.412 14.905 ( -0.252 0.000 0.848) 0.885 15.495 ( 1.130 0.000 -2.340) 2.598 15.510 ( -3.098 0.000 -1.658) 3.514 16.112 ( 1.035 0.000 -0.870) 1.352 16.186 ( -4.900 0.000 -0.619) 4.939 16.740 ( -6.396 0.000 -10.483) 12.280 17.884 ( -4.282 0.000 -0.879) 4.371 17.997 ( -1.224 0.000 2.054) 2.391 18.599 ( -1.537 0.000 1.577) 2.202 18.780 ( -7.571 0.000 9.444) 12.104 19.043 ( 1.302 0.000 3.879) 4.092 20.518 ( -4.679 0.000 -3.541) 5.867 20.714 ( 7.810 0.000 -6.682) 10.278 20.715 ( -0.788 0.000 -5.453) 5.510 21.452 ( 6.030 0.000 -4.874) 7.753 21.576 ( 2.677 0.000 0.628) 2.749 21.696 ( -1.481 0.000 2.746) 3.120 21.915 ( -3.335 0.000 4.623) 5.700 21.999 ( 1.138 0.000 1.056) 1.553 24.293 ( 0.117 0.000 1.739) 1.743 24.695 ( -0.226 0.000 2.202) 2.214 108.001 ( -0.126 0.000 -0.032) 0.130 108.129 ( 1.245 0.000 0.858) 1.512 108.868 ( -0.354 0.000 -0.023) 0.355 108.901 ( 0.553 0.000 -0.632) 0.840 109.205 ( -0.063 0.000 1.381) 1.383 109.273 ( -0.734 0.000 -2.557) 2.660 ======================= Grid point 195 (99/148) ======================= q-point: (-0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( -16.935 0.000 2.700) 17.149 1.638 ( 5.246 0.000 -2.698) 5.899 2.052 ( -4.689 0.000 0.698) 4.740 2.111 ( -2.256 0.000 0.031) 2.256 2.517 ( -1.712 0.000 6.943) 7.151 2.737 ( -0.918 0.000 1.726) 1.955 2.792 ( -1.009 0.000 -4.455) 4.568 3.673 ( 9.875 0.000 1.092) 9.935 3.807 ( -14.104 0.000 -4.305) 14.747 4.008 ( -3.103 0.000 3.967) 5.037 4.563 ( 2.319 0.000 0.400) 2.354 4.725 ( -21.254 0.000 -3.555) 21.549 5.056 ( 10.186 0.000 0.216) 10.188 5.443 ( 12.139 0.000 -0.888) 12.171 5.929 ( 3.383 0.000 -0.105) 3.384 6.294 ( 0.869 0.000 1.071) 1.379 7.446 ( 2.177 0.000 -0.359) 2.207 7.975 ( 0.823 0.000 -3.330) 3.430 8.222 ( 19.451 0.000 0.645) 19.461 8.574 ( -3.684 0.000 -0.009) 3.684 8.888 ( 5.188 0.000 0.821) 5.253 9.159 ( 2.414 0.000 -1.807) 3.015 9.309 ( 2.504 0.000 -0.135) 2.508 9.880 ( 0.611 0.000 0.369) 0.714 10.601 ( 17.744 0.000 -2.251) 17.886 10.836 ( -8.545 0.000 0.354) 8.552 10.854 ( -8.312 0.000 1.324) 8.417 11.012 ( -5.797 0.000 0.080) 5.798 11.447 ( -5.580 0.000 1.377) 5.747 11.536 ( -1.786 0.000 3.042) 3.528 12.191 ( -7.407 0.000 2.505) 7.819 12.551 ( -2.289 0.000 -1.210) 2.589 12.660 ( -5.745 0.000 -10.530) 11.995 12.881 ( 9.909 0.000 -0.255) 9.912 12.929 ( 7.646 0.000 2.784) 8.137 13.458 ( 4.792 0.000 0.111) 4.793 13.736 ( 2.439 0.000 0.889) 2.596 14.469 ( 16.307 0.000 6.753) 17.650 14.759 ( 1.721 0.000 2.184) 2.781 14.876 ( -2.818 0.000 0.411) 2.848 15.376 ( -10.114 0.000 -2.355) 10.385 15.531 ( 2.752 0.000 -2.317) 3.597 15.988 ( -13.696 0.000 -1.988) 13.840 16.149 ( 2.473 0.000 -0.727) 2.578 16.538 ( -11.878 0.000 -6.200) 13.399 17.675 ( -15.111 0.000 -0.423) 15.117 17.927 ( -5.688 0.000 0.759) 5.738 18.554 ( -2.469 0.000 2.002) 3.179 18.622 ( -7.274 0.000 8.586) 11.253 19.115 ( 4.085 0.000 4.800) 6.303 20.419 ( -4.089 0.000 -4.654) 6.195 20.659 ( -3.086 0.000 -7.773) 8.364 20.842 ( 4.704 0.000 -4.704) 6.652 21.582 ( 5.692 0.000 -7.107) 9.106 21.601 ( -0.613 0.000 3.827) 3.876 21.731 ( 4.619 0.000 -1.000) 4.726 21.875 ( -0.680 0.000 6.356) 6.392 22.049 ( 3.254 0.000 2.085) 3.865 24.314 ( 1.570 0.000 2.093) 2.616 24.667 ( -2.449 0.000 0.567) 2.514 107.997 ( -0.164 0.000 -0.046) 0.170 108.172 ( 2.752 0.000 0.520) 2.801 108.865 ( 0.075 0.000 0.281) 0.291 108.914 ( 0.785 0.000 -0.689) 1.045 109.196 ( -0.801 0.000 1.409) 1.620 109.245 ( -1.790 0.000 -2.640) 3.190 ======================= Grid point 196 (100/148) ======================= q-point: (-0.22 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( -17.971 0.000 4.264) 18.470 1.713 ( -0.390 0.000 6.526) 6.538 1.911 ( -6.985 0.000 -2.433) 7.396 2.059 ( -2.283 0.000 0.347) 2.309 2.498 ( -1.066 0.000 10.982) 11.033 2.704 ( -2.359 0.000 0.252) 2.372 2.752 ( -2.570 0.000 -6.362) 6.861 3.454 ( -19.079 0.000 -0.145) 19.079 3.932 ( -2.822 0.000 0.886) 2.958 3.940 ( 14.851 0.000 1.191) 14.899 4.278 ( -19.887 0.000 -9.875) 22.204 4.630 ( 3.680 0.000 1.031) 3.822 5.222 ( 6.219 0.000 0.235) 6.223 5.742 ( 14.465 0.000 -0.644) 14.480 6.007 ( 4.030 0.000 0.028) 4.030 6.360 ( 5.173 0.000 1.503) 5.387 7.535 ( 5.381 0.000 0.166) 5.383 7.988 ( 0.743 0.000 -3.086) 3.174 8.508 ( -2.124 0.000 0.024) 2.124 8.566 ( 13.685 0.000 0.632) 13.700 9.080 ( 11.343 0.000 1.147) 11.401 9.223 ( 3.838 0.000 -0.937) 3.950 9.346 ( 0.679 0.000 0.056) 0.681 9.898 ( 0.709 0.000 -0.345) 0.788 10.652 ( -6.083 0.000 0.064) 6.084 10.659 ( -9.636 0.000 1.715) 9.788 10.860 ( -8.058 0.000 -0.566) 8.078 10.993 ( 17.773 0.000 -1.445) 17.831 11.365 ( -2.621 0.000 1.284) 2.918 11.530 ( -0.687 0.000 1.131) 1.323 12.030 ( -4.598 0.000 1.791) 4.935 12.445 ( -12.889 0.000 -8.495) 15.437 12.503 ( -2.020 0.000 -1.298) 2.402 13.055 ( 2.251 0.000 2.933) 3.697 13.079 ( 8.538 0.000 -0.205) 8.541 13.585 ( 7.301 0.000 0.187) 7.303 13.868 ( 8.466 0.000 -2.063) 8.713 14.517 ( -5.699 0.000 -3.520) 6.699 14.781 ( -6.354 0.000 0.172) 6.356 15.012 ( -19.005 0.000 -13.353) 23.227 15.170 ( 23.623 0.000 20.899) 31.540 15.614 ( 5.409 0.000 -1.815) 5.706 15.687 ( -12.240 0.000 -0.132) 12.241 16.212 ( 3.731 0.000 -0.301) 3.743 16.264 ( -13.564 0.000 -2.260) 13.751 17.297 ( -20.248 0.000 0.470) 20.254 17.757 ( -10.584 0.000 -0.525) 10.597 18.513 ( -3.602 0.000 7.288) 8.130 18.525 ( -0.073 0.000 2.025) 2.026 19.182 ( 1.460 0.000 2.275) 2.703 20.363 ( -0.694 0.000 -2.486) 2.581 20.601 ( -1.733 0.000 -10.214) 10.359 20.897 ( 0.870 0.000 -3.214) 3.330 21.588 ( -0.731 0.000 6.407) 6.448 21.620 ( -2.145 0.000 -0.173) 2.152 21.839 ( 5.315 0.000 -4.363) 6.876 21.922 ( 4.733 0.000 -0.220) 4.738 22.129 ( 4.258 0.000 2.991) 5.204 24.348 ( 1.175 0.000 2.168) 2.466 24.602 ( -3.525 0.000 -1.208) 3.726 107.995 ( 0.007 0.000 -0.052) 0.052 108.237 ( 3.250 0.000 -0.163) 3.255 108.871 ( 0.362 0.000 0.518) 0.632 108.930 ( 0.760 0.000 -0.723) 1.049 109.176 ( -1.215 0.000 1.340) 1.809 109.197 ( -2.481 0.000 -2.135) 3.273 ======================= Grid point 197 (101/148) ======================= q-point: (-0.11 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( -11.966 0.000 5.693) 13.252 1.519 ( -15.214 0.000 14.292) 20.874 1.894 ( 3.489 0.000 -2.239) 4.146 2.034 ( 0.058 0.000 0.569) 0.572 2.488 ( -0.766 0.000 19.903) 19.918 2.646 ( -2.902 0.000 -2.491) 3.824 2.681 ( -3.365 0.000 -7.592) 8.304 3.077 ( -16.053 0.000 2.160) 16.198 3.837 ( -10.738 0.000 2.063) 10.934 4.007 ( -0.213 0.000 -19.451) 19.452 4.235 ( 11.958 0.000 0.981) 11.998 4.696 ( 2.195 0.000 0.946) 2.390 5.330 ( 4.176 0.000 0.109) 4.177 5.969 ( 6.704 0.000 0.306) 6.711 6.088 ( 3.356 0.000 0.385) 3.378 6.478 ( 5.170 0.000 0.980) 5.262 7.632 ( 3.400 0.000 0.078) 3.400 8.002 ( 0.727 0.000 -2.765) 2.859 8.502 ( 1.355 0.000 -0.078) 1.358 8.827 ( 11.682 0.000 1.273) 11.751 9.275 ( 6.536 0.000 1.101) 6.628 9.297 ( 2.523 0.000 -0.609) 2.596 9.329 ( -2.050 0.000 0.224) 2.062 9.854 ( -5.670 0.000 -1.585) 5.888 10.502 ( -4.872 0.000 1.277) 5.037 10.662 ( 7.146 0.000 0.140) 7.148 10.696 ( -7.161 0.000 0.065) 7.161 11.256 ( 4.487 0.000 0.206) 4.492 11.334 ( -0.411 0.000 0.238) 0.475 11.520 ( 3.544 0.000 -0.440) 3.572 12.020 ( -4.483 0.000 0.685) 4.536 12.238 ( 1.923 0.000 -3.998) 4.437 12.468 ( -1.280 0.000 -0.937) 1.587 12.970 ( -11.283 0.000 2.029) 11.464 13.216 ( 4.435 0.000 -0.168) 4.438 13.745 ( 7.255 0.000 0.396) 7.265 13.979 ( -2.417 0.000 -6.422) 6.861 14.401 ( -4.029 0.000 -1.639) 4.350 14.447 ( -22.410 0.000 -4.118) 22.785 14.632 ( -7.086 0.000 0.251) 7.090 15.529 ( -3.387 0.000 3.777) 5.073 15.736 ( 5.593 0.000 -1.376) 5.759 15.786 ( 27.288 0.000 8.842) 28.685 16.006 ( -9.705 0.000 0.498) 9.717 16.314 ( 6.631 0.000 0.299) 6.638 16.877 ( -19.304 0.000 0.447) 19.309 17.512 ( -11.878 0.000 -1.299) 11.948 18.485 ( 0.276 0.000 6.482) 6.488 18.554 ( 2.342 0.000 0.811) 2.478 19.178 ( -1.374 0.000 -1.635) 2.136 20.386 ( 2.565 0.000 1.033) 2.766 20.557 ( -2.351 0.000 -11.562) 11.798 20.878 ( -2.187 0.000 -2.393) 3.242 21.528 ( -5.945 0.000 8.901) 10.704 21.582 ( -0.445 0.000 7.362) 7.376 21.928 ( 3.427 0.000 -5.878) 6.804 22.027 ( 4.830 0.000 -2.087) 5.262 22.236 ( 6.052 0.000 -2.607) 6.590 24.355 ( -0.662 0.000 2.074) 2.177 24.534 ( -2.579 0.000 -1.615) 3.043 107.996 ( 0.046 0.000 0.014) 0.048 108.291 ( 1.433 0.000 -0.925) 1.706 108.880 ( 0.433 0.000 0.616) 0.752 108.943 ( 0.440 0.000 -0.760) 0.878 109.148 ( -1.733 0.000 0.496) 1.803 109.157 ( -0.497 0.000 -0.422) 0.652 ======================= Grid point 198 (102/148) ======================= q-point: ( 0.00 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( -0.281 22.976 5.066) 23.530 1.364 ( -3.095 6.973 15.797) 17.543 1.936 ( 3.567 -3.483 3.012) 5.825 2.075 ( 1.252 1.102 -2.417) 2.936 2.508 ( -3.320 -6.770 -2.535) 7.955 2.583 ( 4.759 2.233 19.998) 20.678 2.629 ( 0.238 -0.010 -4.324) 4.330 2.823 ( -7.694 1.523 5.467) 9.560 3.506 ( -6.130 -12.127 -6.678) 15.141 3.909 ( 8.113 -12.842 -11.029) 18.771 4.523 ( -1.724 10.472 -3.630) 11.217 4.745 ( 0.355 2.095 0.095) 2.127 5.511 ( -0.317 12.668 0.337) 12.677 6.045 ( -0.194 1.495 0.603) 1.624 6.173 ( 0.394 4.381 0.649) 4.447 6.551 ( 0.657 0.461 0.328) 0.867 7.699 ( 0.083 2.868 -0.113) 2.871 7.950 ( -0.364 -5.381 -1.995) 5.750 8.362 ( 0.713 -13.899 -0.596) 13.930 9.010 ( 1.750 -2.745 -0.090) 3.257 9.193 ( -1.133 -8.842 0.002) 8.915 9.231 ( 0.669 -4.737 2.428) 5.365 9.397 ( -0.263 2.544 -1.654) 3.045 9.889 ( -0.804 12.670 -0.735) 12.717 10.423 ( 0.887 -1.862 -0.072) 2.064 10.565 ( -1.703 -2.031 0.911) 2.803 10.912 ( 1.071 9.741 -0.240) 9.802 11.192 ( 0.387 -8.236 -0.450) 8.257 11.385 ( 1.389 2.776 -0.250) 3.115 11.645 ( 4.157 -0.358 1.488) 4.430 11.814 ( -10.236 -0.079 -3.133) 10.705 12.234 ( 1.691 -7.108 -0.575) 7.329 12.650 ( -5.019 9.612 2.302) 11.085 12.725 ( 3.669 0.796 -0.459) 3.783 13.305 ( 0.259 3.011 0.277) 3.035 13.718 ( -6.761 -3.034 0.711) 7.445 13.838 ( -0.146 0.467 0.514) 0.709 14.063 ( -3.153 -12.434 -0.394) 12.834 14.319 ( 0.570 -0.899 0.491) 1.173 14.895 ( -1.789 20.308 2.113) 20.496 15.485 ( -2.545 -11.708 4.514) 12.804 15.609 ( 6.479 -6.372 -1.516) 9.213 15.757 ( 0.470 -8.839 -1.465) 8.972 16.224 ( 6.555 2.670 1.188) 7.177 16.573 ( -3.498 5.364 0.516) 6.425 16.734 ( 3.940 13.220 -1.270) 13.853 17.359 ( -1.768 1.923 -0.534) 2.666 18.231 ( 0.239 -16.826 2.359) 16.993 18.812 ( 4.611 11.062 7.049) 13.904 19.286 ( 0.247 11.246 -9.547) 14.754 20.395 ( 1.092 -4.643 0.658) 4.815 20.510 ( -5.344 2.580 -5.361) 7.997 20.695 ( -2.635 -8.087 1.095) 8.576 21.456 ( -5.869 -1.412 4.066) 7.278 21.603 ( 0.854 4.869 6.948) 8.527 21.989 ( 0.911 2.933 -2.558) 3.997 22.137 ( 1.925 0.987 3.197) 3.860 22.348 ( 5.647 -0.292 -12.292) 13.530 24.336 ( 0.346 -0.762 2.131) 2.290 24.475 ( -1.294 -1.967 -0.695) 2.455 108.002 ( -0.145 0.721 0.226) 0.769 108.253 ( -1.315 -3.001 0.692) 3.349 108.916 ( 0.092 2.582 -0.205) 2.592 108.956 ( -0.055 0.966 -0.642) 1.161 109.117 ( -0.728 -0.471 0.605) 1.057 109.166 ( 1.890 -0.851 -1.225) 2.407 ======================= Grid point 199 (103/148) ======================= q-point: ( 0.11 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 6.873 14.920 5.831) 17.431 1.435 ( 5.593 8.941 15.213) 18.511 2.020 ( 2.612 -1.901 -1.325) 3.492 2.112 ( 3.599 -0.053 -1.976) 4.106 2.473 ( 0.043 -7.375 -1.494) 7.525 2.608 ( -3.064 -2.136 7.621) 8.487 2.686 ( 3.512 0.674 -3.952) 5.329 2.905 ( 15.622 2.536 21.434) 26.644 3.459 ( 2.886 -9.948 -9.714) 14.201 4.069 ( 7.543 -9.713 -12.008) 17.188 4.383 ( -9.670 10.724 -0.366) 14.445 4.731 ( -1.772 1.335 -0.263) 2.234 5.426 ( -6.849 9.436 0.237) 11.662 5.956 ( -9.130 0.187 0.577) 9.150 6.137 ( -3.689 3.714 0.191) 5.238 6.523 ( -3.463 1.009 0.136) 3.610 7.656 ( -3.919 1.241 -0.138) 4.113 7.942 ( -0.137 -4.112 -1.635) 4.428 8.389 ( 2.616 -10.299 -1.329) 10.709 8.912 ( -9.861 -4.050 -1.405) 10.753 9.154 ( -1.364 -6.412 1.933) 6.835 9.299 ( 0.854 -3.869 -0.540) 3.999 9.341 ( -1.743 4.524 -0.981) 4.947 9.959 ( 4.875 12.907 -0.249) 13.799 10.506 ( 6.193 -1.981 -0.761) 6.547 10.542 ( -1.246 -4.178 2.086) 4.833 10.788 ( -5.266 4.887 -0.334) 7.192 11.236 ( -1.098 -4.201 -0.784) 4.413 11.427 ( -11.474 0.265 0.333) 11.482 11.499 ( 3.224 1.325 -1.196) 3.685 11.828 ( 6.476 -3.903 5.744) 9.496 12.218 ( -3.218 2.990 -2.721) 5.168 12.469 ( -3.711 2.756 1.011) 4.732 12.938 ( 5.521 -2.884 1.496) 6.406 13.288 ( -2.109 5.497 0.517) 5.911 13.677 ( -2.195 -5.136 2.842) 6.267 13.779 ( -1.651 0.673 2.521) 3.087 14.077 ( 2.985 -14.965 2.150) 15.410 14.381 ( 7.192 -0.091 0.924) 7.251 14.920 ( 3.349 17.071 3.122) 17.675 15.408 ( -4.856 -13.736 1.659) 14.663 15.718 ( 3.853 -0.180 -1.286) 4.066 15.808 ( 4.526 -3.358 -2.237) 6.063 16.299 ( -2.870 0.590 -4.514) 5.382 16.473 ( 1.970 11.478 -3.028) 12.033 16.960 ( 14.452 7.523 -1.296) 16.344 17.461 ( 9.902 1.052 1.199) 10.030 18.248 ( 1.352 -16.614 2.597) 16.870 18.901 ( 2.832 14.381 3.545) 15.080 19.289 ( 1.017 9.705 -8.743) 13.101 20.365 ( -3.997 -5.525 -1.230) 6.929 20.403 ( -2.384 3.300 -1.284) 4.268 20.683 ( 0.526 -6.912 4.354) 8.186 21.346 ( -5.080 -5.266 5.912) 9.407 21.622 ( 0.417 6.602 6.310) 9.142 21.980 ( -1.504 2.813 -3.791) 4.955 22.168 ( 0.430 -0.973 3.004) 3.187 22.401 ( 0.125 0.856 -14.834) 14.859 24.378 ( 3.428 -1.033 2.293) 4.251 24.446 ( -1.531 -1.766 -0.289) 2.355 107.998 ( -0.192 0.744 0.260) 0.811 108.215 ( -2.195 -2.168 1.958) 3.654 108.915 ( -0.173 2.106 -0.096) 2.115 108.949 ( -0.571 1.035 -0.632) 1.340 109.115 ( 0.454 -0.391 0.563) 0.822 109.211 ( 2.213 -1.385 -2.471) 3.595 ======================= Grid point 200 (104/148) ======================= q-point: ( 0.22 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 8.423 3.177 7.947) 12.008 1.566 ( 7.025 10.805 7.837) 15.084 2.044 ( 0.743 -0.908 -1.648) 2.023 2.192 ( 2.998 0.876 -2.062) 3.743 2.503 ( 2.571 -6.742 1.895) 7.460 2.566 ( -0.847 -2.625 4.457) 5.242 2.759 ( 3.504 4.530 -2.169) 6.124 3.253 ( 11.723 -10.332 9.992) 18.548 3.693 ( 20.998 -1.934 -2.217) 21.203 4.053 ( -9.548 4.259 -4.571) 11.410 4.341 ( 8.349 1.403 -4.172) 9.438 4.683 ( -1.954 0.845 -0.593) 2.210 5.266 ( -8.146 4.377 0.097) 9.248 5.669 ( -17.452 -3.022 0.470) 17.718 6.033 ( -5.919 1.423 -0.317) 6.096 6.417 ( -6.136 0.904 0.544) 6.226 7.560 ( -4.651 0.858 -0.103) 4.731 7.947 ( 0.873 -1.022 -1.615) 2.101 8.472 ( 4.632 -4.860 -1.742) 6.936 8.663 ( -13.277 -2.592 -1.887) 13.659 9.127 ( -1.975 -3.016 2.265) 4.258 9.182 ( -6.898 2.623 -4.802) 8.804 9.362 ( -1.136 2.332 0.658) 2.676 10.010 ( -0.290 9.917 -0.715) 9.947 10.467 ( -0.803 -9.943 1.778) 10.132 10.713 ( 10.146 2.024 0.492) 10.357 10.812 ( 2.400 -2.932 0.185) 3.794 10.975 ( -13.516 1.156 0.349) 13.569 11.360 ( 2.801 -4.495 1.637) 5.544 11.643 ( 6.519 7.548 -1.154) 10.040 11.958 ( 5.212 -3.837 8.514) 10.695 12.142 ( -1.797 0.477 -1.651) 2.486 12.489 ( 3.626 1.146 0.082) 3.803 12.934 ( -4.061 -5.903 1.785) 7.385 13.213 ( -4.866 7.696 1.981) 9.318 13.563 ( -6.285 -2.696 -0.420) 6.852 13.746 ( -3.957 -4.498 2.316) 6.423 14.140 ( 2.002 -15.995 4.695) 16.790 14.617 ( 11.795 -1.703 3.170) 12.332 14.993 ( 2.355 9.700 2.322) 10.249 15.305 ( -4.252 -8.609 -1.794) 9.768 15.771 ( 1.741 5.199 0.561) 5.511 15.941 ( 8.435 3.595 -3.658) 9.872 16.172 ( -5.585 2.462 -3.029) 6.814 16.644 ( 11.790 13.129 -12.095) 21.393 17.293 ( 16.531 1.884 0.630) 16.649 17.688 ( 10.449 0.150 2.089) 10.657 18.299 ( 3.481 -15.250 2.934) 15.915 18.929 ( 0.359 15.617 0.502) 15.629 19.313 ( 0.968 5.638 -3.968) 6.962 20.296 ( -1.596 -6.430 -2.362) 7.033 20.415 ( 3.650 2.456 -1.154) 4.549 20.691 ( -0.496 -4.330 3.724) 5.733 21.257 ( -3.763 -8.864 5.962) 11.326 21.632 ( 0.150 7.457 5.188) 9.085 21.926 ( -3.262 2.703 -3.692) 5.620 22.148 ( -2.540 -1.254 1.827) 3.371 22.336 ( -4.868 2.595 -11.233) 12.514 24.407 ( -2.312 -1.438 0.182) 2.729 24.469 ( 4.762 -1.953 2.296) 5.636 107.996 ( 0.040 0.651 0.141) 0.668 108.172 ( -2.108 -1.514 2.107) 3.343 108.910 ( -0.254 1.673 -0.223) 1.707 108.932 ( -0.915 1.124 -0.572) 1.558 109.135 ( 1.345 -0.418 0.791) 1.615 109.246 ( 1.277 -1.620 -2.757) 3.443 ======================= Grid point 201 (105/148) ======================= q-point: ( 0.33 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 1.842 0.308 6.256) 6.529 1.772 ( 11.166 6.118 -0.978) 12.769 2.062 ( 0.963 -0.425 1.307) 1.677 2.217 ( -0.436 0.239 -1.954) 2.017 2.551 ( 1.043 -4.963 7.638) 9.169 2.595 ( 3.345 -1.826 1.158) 3.983 2.828 ( 3.586 7.135 -2.859) 8.482 3.434 ( 6.472 -10.146 2.843) 12.366 3.880 ( -4.680 9.950 -0.855) 11.029 4.113 ( 13.812 -0.340 0.711) 13.834 4.494 ( 2.330 -5.446 -2.929) 6.609 4.754 ( 11.553 2.079 -1.376) 11.819 5.093 ( -8.432 3.422 0.163) 9.102 5.314 ( -13.960 -7.695 0.058) 15.941 5.907 ( -5.747 -2.055 -0.175) 6.106 6.307 ( -3.696 -1.561 0.593) 4.056 7.487 ( -1.698 4.085 0.006) 4.423 7.976 ( 1.834 2.853 -1.808) 3.844 8.302 ( -18.619 -1.150 -2.082) 18.770 8.591 ( 3.718 -1.595 -1.552) 4.333 9.035 ( -5.302 2.506 -3.810) 6.994 9.092 ( -1.967 0.219 -0.072) 1.981 9.309 ( -2.761 2.066 0.212) 3.455 9.971 ( -2.743 6.303 -0.595) 6.900 10.451 ( -7.617 -7.176 2.490) 10.757 10.656 ( 0.552 -7.137 0.412) 7.170 10.911 ( 4.480 -2.075 1.018) 5.041 11.017 ( 8.170 2.071 0.020) 8.428 11.476 ( 8.018 -1.418 1.291) 8.244 11.724 ( 2.068 10.136 -0.988) 10.392 12.011 ( -2.104 -7.809 10.214) 13.028 12.216 ( 9.119 -1.463 0.932) 9.282 12.566 ( 3.361 2.464 0.990) 4.283 12.825 ( -6.067 -3.786 0.050) 7.151 13.117 ( -4.150 5.542 0.100) 6.925 13.445 ( -4.757 -1.645 -0.744) 5.088 13.665 ( -2.024 -6.149 1.024) 6.554 14.121 ( -5.336 -16.364 6.589) 18.430 14.760 ( 1.504 -1.789 1.205) 2.629 15.034 ( 2.991 0.897 -1.497) 3.463 15.252 ( -1.205 1.562 -2.139) 2.910 15.820 ( 3.230 11.552 1.065) 12.042 16.086 ( -1.973 -0.458 -0.723) 2.151 16.126 ( 7.592 6.802 -3.267) 10.704 16.863 ( 8.974 13.440 -13.959) 21.354 17.603 ( 12.518 -2.256 1.904) 12.861 17.869 ( 6.610 -0.434 1.843) 6.876 18.394 ( 4.981 -12.797 3.489) 14.168 18.940 ( 0.735 11.914 1.063) 11.984 19.280 ( -4.449 4.174 -0.589) 6.129 20.320 ( 4.348 -7.143 -4.321) 9.413 20.527 ( 5.808 -0.245 -2.334) 6.264 20.671 ( -0.908 -1.240 1.366) 2.056 21.209 ( -1.137 -10.433 4.242) 11.320 21.638 ( 0.106 7.541 3.669) 8.387 21.845 ( -4.152 2.196 -2.690) 5.412 22.080 ( -3.534 0.000 1.303) 3.767 22.204 ( -6.584 4.352 -5.421) 9.575 24.353 ( -2.657 -0.877 0.442) 2.832 24.566 ( 4.103 -2.940 2.907) 5.825 107.999 ( 0.201 0.479 0.028) 0.520 108.134 ( -1.587 -1.087 1.606) 2.506 108.905 ( -0.174 1.335 -0.530) 1.447 108.912 ( -0.950 1.231 -0.354) 1.595 109.166 ( 1.394 -0.516 1.084) 1.840 109.262 ( 0.600 -1.564 -2.489) 3.000 ======================= Grid point 202 (106/148) ======================= q-point: ( 0.44 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 2.014 1.641 -0.820) 2.724 1.965 ( 6.894 0.789 -0.884) 6.995 2.063 ( -1.949 -1.021 0.983) 2.410 2.184 ( -1.800 0.881 -0.910) 2.201 2.567 ( -0.067 -2.012 5.146) 5.526 2.667 ( 2.880 -2.455 5.022) 6.288 2.897 ( 2.508 9.501 -3.544) 10.446 3.515 ( 1.368 -2.410 2.025) 3.432 3.896 ( 5.310 5.366 1.432) 7.684 4.213 ( -2.473 0.818 -1.609) 3.062 4.489 ( -0.792 -5.089 -1.465) 5.355 4.826 ( -5.012 -1.353 -0.738) 5.244 5.077 ( 2.550 -2.237 -0.226) 3.400 5.190 ( 3.169 -4.932 -0.833) 5.921 5.820 ( -2.102 -4.712 0.379) 5.174 6.266 ( -0.758 -3.676 0.197) 3.759 7.520 ( 5.121 6.360 0.419) 8.177 7.892 ( -15.541 0.739 -1.853) 15.668 8.031 ( 0.716 6.749 -2.247) 7.149 8.638 ( 0.802 -1.665 -0.706) 1.979 8.946 ( -3.261 1.671 -2.691) 4.546 9.077 ( 0.515 -0.287 -1.252) 1.384 9.270 ( -0.899 2.078 0.102) 2.266 9.909 ( -2.506 2.709 0.056) 3.691 10.295 ( -3.582 2.042 1.059) 4.257 10.760 ( 4.736 -12.251 0.059) 13.135 10.939 ( -0.377 -7.174 0.697) 7.218 11.157 ( 3.632 4.450 0.800) 5.800 11.630 ( 4.319 0.161 0.638) 4.369 11.757 ( -0.238 5.966 -0.596) 6.000 11.964 ( 0.871 -4.580 11.329) 12.251 12.422 ( 8.118 -4.280 1.006) 9.232 12.639 ( 4.277 2.438 0.902) 5.005 12.713 ( -3.310 0.943 -0.003) 3.441 13.014 ( -5.924 4.300 -3.653) 8.181 13.375 ( -1.756 -1.712 -1.189) 2.726 13.728 ( 8.299 -7.486 3.097) 11.597 13.930 ( -12.359 -14.503 4.994) 19.698 14.749 ( -1.299 -1.883 -1.902) 2.974 15.109 ( 3.620 -3.483 -1.940) 5.385 15.224 ( -1.694 6.850 -1.864) 7.299 15.889 ( 2.548 14.602 0.919) 14.851 16.052 ( -0.933 0.566 -0.725) 1.310 16.241 ( 2.804 4.812 -0.917) 5.644 16.961 ( 1.275 13.757 -12.103) 18.368 17.802 ( 6.368 -4.887 2.161) 8.313 17.959 ( 1.742 -2.189 0.325) 2.816 18.484 ( 2.597 -9.881 4.398) 11.123 18.946 ( -1.067 8.001 3.636) 8.853 19.151 ( -6.426 4.391 1.710) 7.969 20.444 ( 6.301 -8.040 -3.692) 10.862 20.557 ( -1.634 -5.571 -4.433) 7.305 20.723 ( 4.770 3.599 -2.548) 6.496 21.224 ( 2.665 -9.784 0.445) 10.150 21.648 ( 0.954 6.713 1.935) 7.051 21.756 ( -4.139 1.189 -0.567) 4.344 22.027 ( -1.391 2.025 1.378) 2.817 22.075 ( -5.298 5.761 -0.131) 7.828 24.306 ( -1.706 -0.321 1.056) 2.032 24.635 ( 2.179 -3.602 2.883) 5.103 108.003 ( 0.132 0.331 -0.005) 0.356 108.112 ( -0.475 -0.879 1.114) 1.497 108.893 ( -0.691 1.331 -0.402) 1.553 108.904 ( 0.118 1.123 -0.449) 1.215 109.190 ( 0.764 -0.612 1.220) 1.564 109.268 ( 0.086 -1.418 -2.290) 2.695 ======================= Grid point 203 (107/148) ======================= q-point: (-0.44 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 3.999 1.439 -3.710) 5.642 1.938 ( -9.341 1.174 0.982) 9.466 2.070 ( 2.573 -1.487 -0.067) 2.973 2.159 ( -0.983 1.364 -0.141) 1.688 2.551 ( -1.960 -0.542 5.266) 5.645 2.715 ( 1.392 -1.913 3.938) 4.594 2.894 ( -2.583 8.133 -3.704) 9.302 3.536 ( 1.241 0.119 1.520) 1.966 3.972 ( -3.340 -4.207 -0.291) 5.380 4.125 ( -0.920 7.952 0.843) 8.049 4.471 ( -0.927 -6.376 -0.998) 6.520 4.839 ( 6.154 -0.528 -1.132) 6.280 5.088 ( -1.999 -1.975 -0.740) 2.905 5.195 ( -2.049 -5.973 -1.044) 6.400 5.826 ( 2.426 -4.430 0.207) 5.055 6.262 ( 0.242 -3.775 0.337) 3.798 7.539 ( -5.565 6.092 -0.411) 8.261 7.845 ( 14.207 1.191 0.101) 14.257 8.043 ( -0.043 7.281 -2.790) 7.797 8.629 ( -1.656 -1.339 -0.287) 2.149 8.893 ( -1.302 2.740 -0.661) 3.105 9.102 ( 1.784 -1.428 -1.826) 2.925 9.275 ( 1.376 1.858 -0.263) 2.327 9.899 ( 1.440 2.932 0.485) 3.302 10.330 ( 6.826 1.614 -0.567) 7.037 10.771 ( -3.678 -12.443 -0.338) 12.979 10.950 ( 1.349 -6.990 0.259) 7.124 11.140 ( -5.294 4.282 1.492) 6.971 11.598 ( -6.442 -0.198 2.104) 6.779 11.697 ( -3.410 7.954 2.550) 9.022 12.118 ( 9.536 -6.143 4.483) 12.198 12.453 ( -5.219 -6.020 -0.546) 7.986 12.720 ( 3.744 0.896 -1.077) 3.997 12.779 ( 7.172 -0.661 -1.412) 7.339 12.921 ( -0.540 10.324 -2.864) 10.728 13.374 ( 1.782 -1.673 -1.012) 2.645 13.683 ( -9.873 -12.180 3.590) 16.085 13.985 ( 15.117 -9.200 5.680) 18.586 14.711 ( -2.343 -2.726 -1.335) 3.834 15.151 ( -1.702 -14.459 -4.600) 15.268 15.187 ( 0.399 17.534 0.373) 17.543 15.903 ( -1.391 15.862 0.324) 15.927 16.039 ( -0.561 -0.509 -0.475) 0.894 16.229 ( -3.987 4.539 -0.585) 6.070 16.902 ( -5.878 14.281 -9.131) 17.941 17.857 ( -2.411 -3.325 0.072) 4.108 17.942 ( -2.486 -4.972 0.719) 5.605 18.475 ( -4.176 -9.999 5.023) 11.943 18.881 ( -4.982 7.723 5.765) 10.849 19.091 ( 0.968 4.541 3.639) 5.900 20.444 ( -4.177 -6.821 -3.359) 8.675 20.604 ( 4.212 -8.369 -5.962) 11.106 20.787 ( 1.790 4.028 -5.081) 6.727 21.324 ( 6.823 -8.086 -4.192) 11.380 21.676 ( -3.041 1.587 1.764) 3.857 21.699 ( 3.706 4.459 1.100) 5.902 21.992 ( -2.747 6.501 3.867) 8.047 22.027 ( 0.983 3.130 0.891) 3.399 24.291 ( 0.127 -0.085 1.624) 1.631 24.657 ( -0.229 -3.825 2.062) 4.351 108.003 ( -0.102 0.310 0.001) 0.326 108.119 ( 1.094 -0.991 0.807) 1.683 108.883 ( -0.230 1.521 -0.113) 1.542 108.911 ( 0.501 0.974 -0.580) 1.240 109.198 ( -0.082 -0.675 1.247) 1.420 109.260 ( -0.671 -1.273 -2.342) 2.748 ======================= Grid point 204 (108/148) ======================= q-point: (-0.33 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 4.050 0.992 -0.769) 4.240 1.688 ( -12.979 3.895 0.525) 13.561 2.067 ( -3.493 1.722 0.898) 3.997 2.130 ( -1.997 1.615 0.266) 2.582 2.507 ( -2.045 -0.788 6.343) 6.712 2.727 ( -0.710 -1.119 1.853) 2.278 2.815 ( -3.891 2.750 -4.423) 6.501 3.564 ( 0.388 -7.082 -0.478) 7.109 3.789 ( -10.737 -3.291 0.137) 11.231 4.162 ( 2.232 12.906 1.679) 13.204 4.426 ( -5.870 -11.371 -1.486) 12.883 4.766 ( -12.820 1.649 -2.060) 13.089 5.102 ( 8.424 3.981 -0.108) 9.318 5.348 ( 14.713 -7.725 -1.399) 16.677 5.908 ( 5.013 -2.064 -0.158) 5.424 6.288 ( 2.835 -1.481 1.366) 3.478 7.488 ( 1.036 4.666 -0.239) 4.785 8.002 ( -1.369 2.981 -2.848) 4.344 8.245 ( 19.211 1.087 0.162) 19.242 8.561 ( -4.704 -1.512 -0.227) 4.947 8.922 ( 4.418 3.734 1.006) 5.871 9.142 ( 2.134 -1.893 -1.618) 3.280 9.322 ( 3.105 2.051 -0.588) 3.767 9.945 ( 2.527 6.442 0.538) 6.940 10.541 ( 9.180 -8.390 -1.697) 12.552 10.675 ( -1.327 -7.423 -0.169) 7.542 10.935 ( -6.264 0.477 0.333) 6.291 10.981 ( -6.102 -0.118 1.057) 6.194 11.448 ( -6.491 -0.135 2.128) 6.832 11.649 ( -1.722 9.733 2.533) 10.203 12.231 ( -2.976 2.308 2.197) 4.360 12.296 ( -4.791 -14.838 -3.489) 15.978 12.770 ( -4.198 2.856 -8.139) 9.592 12.850 ( 5.732 -1.949 -1.143) 6.161 13.042 ( 8.918 9.220 3.396) 13.269 13.446 ( 5.010 -1.580 -0.652) 5.293 13.606 ( 3.058 -11.229 2.297) 11.862 14.311 ( 12.430 -12.231 2.972) 17.690 14.682 ( 2.580 -3.591 5.036) 6.702 15.046 ( -7.308 -3.121 -3.519) 8.691 15.211 ( 0.473 6.332 -1.526) 6.531 15.841 ( -3.868 15.467 0.218) 15.945 15.980 ( -8.307 0.352 -0.393) 8.324 16.112 ( -4.105 2.440 -0.966) 4.872 16.721 ( -10.208 15.010 -5.865) 19.076 17.671 ( -14.185 -0.718 -0.894) 14.231 17.882 ( -4.473 -4.431 1.460) 6.463 18.356 ( -6.197 -12.700 4.714) 14.897 18.782 ( -4.645 9.350 6.022) 12.053 19.163 ( 4.603 4.389 4.201) 7.622 20.353 ( -3.607 -6.080 -4.793) 8.541 20.628 ( -0.906 -6.534 -4.915) 8.226 20.822 ( 1.892 1.248 -6.079) 6.487 21.471 ( 6.753 -5.923 -7.248) 11.542 21.627 ( -1.378 -0.423 3.692) 3.964 21.805 ( 5.599 5.729 -0.067) 8.011 21.962 ( -0.244 7.119 5.184) 8.810 22.061 ( 2.018 1.796 1.420) 3.052 24.310 ( 1.399 -0.293 1.921) 2.394 24.631 ( -2.290 -3.645 0.565) 4.342 108.001 ( -0.101 0.420 0.004) 0.432 108.157 ( 2.391 -1.495 0.558) 2.875 108.884 ( 0.279 1.812 0.099) 1.836 108.924 ( 0.766 0.909 -0.616) 1.338 109.189 ( -0.806 -0.715 1.259) 1.657 109.234 ( -1.684 -1.088 -2.429) 3.149 ======================= Grid point 205 (109/148) ======================= q-point: (-0.22 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( -13.809 10.354 3.973) 17.711 1.737 ( 0.681 2.359 4.725) 5.325 1.934 ( -7.321 2.833 -0.788) 7.890 2.077 ( -2.618 1.721 0.619) 3.193 2.494 ( 0.104 -0.632 8.334) 8.359 2.688 ( -2.846 -1.069 0.603) 3.100 2.729 ( -4.272 -2.065 -4.665) 6.654 3.418 ( -15.628 -4.073 -1.854) 16.256 3.663 ( 0.534 -11.260 2.929) 11.647 4.115 ( -18.893 -12.641 -3.643) 23.022 4.266 ( 7.525 15.048 -4.012) 17.296 4.669 ( 1.544 2.608 -0.230) 3.040 5.276 ( 8.187 5.052 -0.260) 9.624 5.700 ( 16.728 -3.266 -0.897) 17.068 6.019 ( 5.458 1.170 0.260) 5.588 6.388 ( 5.931 1.659 1.831) 6.425 7.554 ( 4.645 2.387 -0.105) 5.223 7.971 ( -1.023 -1.166 -2.601) 3.029 8.431 ( -4.457 -4.547 0.115) 6.369 8.624 ( 13.983 0.823 -0.533) 14.017 9.051 ( 6.400 -2.229 2.752) 7.315 9.190 ( 2.898 -1.907 -1.906) 3.958 9.388 ( 2.352 3.744 -0.579) 4.459 9.994 ( 1.742 9.043 0.015) 9.210 10.528 ( -1.497 -9.989 -0.814) 10.133 10.679 ( -9.778 1.491 1.505) 10.005 10.823 ( -3.923 -3.400 0.030) 5.192 11.003 ( 12.045 0.405 -0.837) 12.081 11.374 ( -0.573 -0.479 0.781) 1.081 11.592 ( -4.869 5.518 1.464) 7.503 12.105 ( -3.394 7.095 1.156) 7.950 12.233 ( -4.802 -12.440 -4.064) 13.941 12.611 ( -7.603 3.570 -5.725) 10.165 12.977 ( 4.214 -3.097 -0.139) 5.231 13.202 ( 5.489 6.973 2.540) 9.231 13.574 ( 7.248 -1.798 -0.649) 7.495 13.761 ( 9.615 -9.320 -0.157) 13.392 14.338 ( -6.224 -10.890 -4.010) 13.169 14.817 ( -15.321 -3.636 -5.366) 16.636 14.972 ( 19.441 -14.463 14.434) 28.204 15.169 ( -4.583 14.043 -4.553) 15.458 15.717 ( -12.192 7.823 1.790) 14.597 15.791 ( -0.731 5.533 0.244) 5.586 16.070 ( -1.598 -0.522 0.527) 1.761 16.521 ( -7.091 15.444 -2.926) 17.244 17.316 ( -18.844 1.614 0.192) 18.914 17.735 ( -9.615 -2.138 0.097) 9.851 18.263 ( -2.898 -14.639 3.526) 15.334 18.715 ( -1.806 9.830 7.218) 12.328 19.250 ( 2.978 5.754 0.764) 6.523 20.308 ( -0.020 -5.008 -3.103) 5.891 20.600 ( -0.925 -4.260 -5.110) 6.717 20.831 ( -0.818 -1.843 -6.128) 6.451 21.553 ( 1.605 -0.452 0.281) 1.691 21.627 ( 0.164 -2.834 -2.848) 4.022 21.892 ( 2.536 6.832 3.825) 8.230 22.015 ( 4.901 6.764 -1.842) 8.554 22.110 ( 2.863 -1.487 3.340) 4.643 24.340 ( 0.976 -0.734 2.022) 2.362 24.571 ( -3.210 -3.123 -1.038) 4.597 108.000 ( 0.061 0.560 0.021) 0.564 108.213 ( 2.710 -2.360 0.135) 3.596 108.894 ( 0.670 2.239 0.122) 2.341 108.939 ( 0.760 0.899 -0.626) 1.333 109.169 ( -1.205 -0.726 1.221) 1.862 109.189 ( -2.311 -0.781 -2.020) 3.167 ======================= Grid point 206 (110/148) ======================= q-point: (-0.11 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( -7.176 18.675 4.772) 20.567 1.564 ( -14.134 4.989 13.721) 20.321 1.893 ( 1.106 0.287 -1.653) 2.010 2.051 ( 0.439 1.493 0.128) 1.562 2.514 ( 0.990 1.696 15.128) 15.255 2.606 ( -5.245 -3.920 -0.014) 6.548 2.651 ( -2.009 -2.243 -6.063) 6.770 3.071 ( -15.564 -0.550 1.492) 15.645 3.693 ( -5.961 -12.722 3.349) 14.443 3.795 ( -2.326 -14.626 -14.348) 20.620 4.448 ( 8.086 13.558 -3.990) 16.282 4.720 ( 2.204 1.814 0.188) 2.861 5.435 ( 6.660 9.993 -0.076) 12.009 5.968 ( 8.232 0.046 0.050) 8.232 6.123 ( 4.090 3.568 0.697) 5.472 6.499 ( 4.137 1.748 1.224) 4.655 7.652 ( 4.095 1.983 -0.149) 4.552 7.957 ( -0.264 -4.178 -2.254) 4.755 8.362 ( -1.402 -10.673 -0.073) 10.765 8.876 ( 9.967 1.252 -0.090) 10.046 9.150 ( 3.271 -9.754 2.025) 10.485 9.252 ( 1.526 -3.796 -0.064) 4.092 9.390 ( -0.957 4.391 -1.216) 4.656 9.974 ( -4.210 10.565 -0.826) 11.403 10.471 ( -5.335 -2.095 0.631) 5.766 10.601 ( 0.628 -3.507 -0.409) 3.586 10.761 ( 4.142 3.936 0.744) 5.762 11.207 ( 3.029 -3.362 0.481) 4.551 11.422 ( -0.422 6.049 0.367) 6.074 11.496 ( 3.337 -3.049 -0.818) 4.594 12.035 ( -9.302 0.298 -2.836) 9.730 12.161 ( 3.350 -2.601 -0.229) 4.247 12.534 ( 1.558 4.485 -2.027) 5.162 12.950 ( -8.099 -0.898 0.986) 8.208 13.278 ( 2.253 4.487 0.971) 5.114 13.729 ( 6.848 -2.787 -0.306) 7.400 13.895 ( -0.463 -7.751 -3.304) 8.439 14.182 ( -7.034 -9.651 -2.412) 12.184 14.433 ( -15.777 -0.659 -2.923) 16.059 14.995 ( -7.568 20.360 1.469) 21.771 15.379 ( 14.337 -21.415 2.691) 25.911 15.558 ( -3.585 4.368 4.325) 7.116 15.789 ( -1.801 -8.643 -0.201) 8.830 16.084 ( 4.933 8.743 3.934) 10.782 16.479 ( 3.695 12.341 -1.430) 12.962 16.938 ( -16.481 5.471 0.437) 17.371 17.511 ( -10.773 -0.008 -0.914) 10.811 18.232 ( -0.609 -15.846 2.609) 16.071 18.728 ( 2.340 9.931 8.094) 13.024 19.284 ( 0.748 8.657 -5.010) 10.030 20.343 ( 2.935 -4.128 -0.106) 5.067 20.578 ( -1.275 -2.901 -5.095) 6.000 20.777 ( -3.806 -3.794 -5.217) 7.490 21.570 ( -2.810 1.813 -1.275) 3.579 21.583 ( -1.184 0.177 6.598) 6.706 21.949 ( 2.722 4.137 0.869) 5.028 22.093 ( 2.348 4.509 -0.097) 5.084 22.214 ( 6.943 -1.725 -3.701) 8.055 24.344 ( -0.643 -0.971 2.014) 2.327 24.510 ( -2.255 -2.393 -1.463) 3.598 108.002 ( 0.076 0.659 0.101) 0.671 108.256 ( 1.145 -3.175 -0.198) 3.381 108.909 ( 0.633 2.667 -0.142) 2.744 108.952 ( 0.450 0.921 -0.636) 1.207 109.142 ( -1.590 -0.642 0.663) 1.839 109.151 ( -0.559 -0.554 -0.708) 1.058 ======================= Grid point 207 (111/148) ======================= q-point: ( 0.00 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( -6.649 17.258 10.994) 21.515 1.558 ( 3.591 14.267 9.887) 17.726 1.894 ( 1.116 -0.291 2.066) 2.366 2.103 ( 1.007 2.121 -3.212) 3.979 2.340 ( -4.027 -10.049 -1.672) 10.954 2.545 ( 2.934 -5.348 -3.460) 7.013 2.652 ( -3.098 1.848 10.482) 11.085 2.905 ( -2.764 6.259 11.520) 13.398 3.258 ( -3.249 -11.896 -7.725) 14.552 3.655 ( 9.804 -13.207 -8.716) 18.615 4.695 ( -2.466 6.676 -4.425) 8.381 4.776 ( 0.031 1.178 -1.660) 2.036 5.795 ( -0.801 15.075 0.631) 15.109 6.084 ( -0.161 2.380 0.390) 2.417 6.288 ( 0.471 7.239 1.116) 7.340 6.556 ( 0.273 -0.330 0.946) 1.038 7.737 ( -0.206 -0.902 -0.458) 1.032 7.820 ( -0.656 -7.635 -1.125) 7.745 8.157 ( 1.064 -3.504 -0.920) 3.776 8.855 ( -1.073 -13.017 -0.381) 13.066 9.011 ( 0.240 -8.463 -0.090) 8.467 9.111 ( 1.547 -7.278 2.532) 7.859 9.513 ( -0.641 9.328 -2.747) 9.745 10.046 ( 0.382 0.134 -0.658) 0.772 10.438 ( 1.093 3.651 -0.648) 3.866 10.624 ( -1.483 10.477 0.417) 10.590 10.982 ( 2.279 -12.258 -0.510) 12.479 11.104 ( -1.904 9.430 -0.310) 9.625 11.379 ( 1.327 -4.318 0.971) 4.621 11.598 ( -0.076 -5.023 -0.314) 5.033 11.878 ( -7.945 7.216 -1.844) 10.890 12.168 ( 2.480 -1.193 -2.073) 3.446 12.754 ( 0.019 2.650 -0.082) 2.651 12.828 ( -2.288 8.774 3.154) 9.601 13.316 ( 0.462 -2.098 0.808) 2.295 13.620 ( -0.337 -6.746 5.136) 8.485 13.850 ( -0.512 0.764 -0.051) 0.921 13.912 ( -7.238 -3.630 -2.611) 8.508 14.315 ( 0.455 0.625 0.437) 0.888 14.947 ( 0.735 -20.430 6.878) 21.570 15.258 ( -1.277 2.516 -1.849) 3.373 15.541 ( -0.857 -7.677 1.419) 7.854 15.815 ( 5.642 14.762 -2.287) 15.968 16.273 ( 3.000 1.102 1.565) 3.559 16.715 ( -1.767 9.021 -0.734) 9.221 16.932 ( 2.729 6.896 -1.665) 7.601 17.414 ( -0.919 3.956 0.105) 4.062 17.933 ( 0.198 -14.173 2.241) 14.350 19.035 ( 4.995 12.888 9.176) 16.590 19.488 ( 2.609 8.039 -11.625) 14.373 20.249 ( -1.703 -10.021 0.014) 10.165 20.391 ( 3.304 -10.162 6.460) 12.487 20.753 ( -7.603 10.237 -9.638) 15.984 21.360 ( -7.502 -7.484 -2.502) 10.888 21.731 ( 2.504 7.166 1.279) 7.698 22.070 ( 0.043 2.160 2.871) 3.593 22.135 ( 0.568 1.397 3.266) 3.598 22.348 ( 5.148 -0.016 -7.467) 9.070 24.323 ( 0.407 -0.388 1.584) 1.681 24.425 ( -0.950 -3.060 -0.647) 3.269 108.024 ( -0.112 1.588 0.417) 1.646 108.186 ( -0.714 -3.708 1.144) 3.946 108.969 ( -0.131 2.483 -0.911) 2.648 108.981 ( 0.003 1.640 -0.438) 1.697 109.105 ( -0.545 -0.669 0.396) 0.949 109.144 ( 1.280 -1.394 -1.139) 2.209 ======================= Grid point 208 (112/148) ======================= q-point: ( 0.11 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( -1.844 14.351 10.184) 17.694 1.656 ( 4.924 11.812 11.189) 16.999 1.969 ( 3.653 -3.003 2.147) 5.194 2.140 ( 3.043 2.155 -1.525) 4.029 2.323 ( 2.886 -6.723 -2.995) 7.906 2.553 ( -3.635 -2.782 10.574) 11.522 2.665 ( 6.727 -2.366 -9.253) 11.682 2.922 ( 2.183 -3.251 15.770) 16.249 3.333 ( 11.463 -0.374 -6.890) 13.379 3.864 ( 10.482 -11.111 -10.933) 18.784 4.571 ( -7.958 7.804 -1.370) 11.230 4.738 ( -3.368 -0.548 -1.309) 3.655 5.644 ( -11.704 12.035 0.592) 16.798 5.964 ( -11.738 0.463 0.247) 11.750 6.235 ( -5.510 6.218 0.677) 8.336 6.531 ( -3.526 -0.743 1.228) 3.807 7.677 ( -4.227 0.727 -0.063) 4.290 7.847 ( 2.963 -5.230 -0.622) 6.043 8.239 ( 6.549 -3.569 -1.896) 7.696 8.737 ( -8.730 -13.041 0.049) 15.694 9.027 ( 2.023 -5.397 0.582) 5.793 9.199 ( 4.119 -6.373 -0.107) 7.589 9.492 ( -1.053 10.638 -2.248) 10.923 10.128 ( 5.397 -0.969 -1.174) 5.607 10.505 ( -2.264 6.475 -0.725) 6.897 10.560 ( 2.389 5.995 1.220) 6.568 10.839 ( -7.122 -0.503 -0.596) 7.165 11.164 ( 0.596 -1.771 0.368) 1.904 11.338 ( -14.062 -7.832 0.531) 16.105 11.484 ( 4.308 -5.616 0.942) 7.140 11.866 ( 3.865 8.549 2.542) 9.720 12.256 ( 4.504 -0.047 -3.046) 5.437 12.561 ( -10.243 6.953 2.107) 12.558 12.899 ( 0.187 -1.613 2.669) 3.124 13.356 ( 2.617 1.093 0.721) 2.926 13.570 ( -4.983 -5.251 2.267) 7.586 13.777 ( -4.062 -0.937 2.424) 4.822 13.866 ( 0.064 -7.022 3.259) 7.742 14.393 ( 7.743 1.788 0.720) 7.980 14.955 ( -0.708 -14.791 3.788) 15.285 15.270 ( 2.414 3.428 -0.164) 4.197 15.597 ( 5.494 -8.252 0.721) 9.940 15.950 ( 7.023 12.975 -4.008) 15.289 16.323 ( 0.659 1.029 -0.749) 1.433 16.713 ( 4.494 13.051 -2.951) 14.115 17.081 ( 10.170 4.082 -2.556) 11.253 17.496 ( 7.950 2.676 1.207) 8.475 17.956 ( 1.914 -13.849 2.358) 14.178 19.148 ( 4.667 12.302 5.315) 14.190 19.504 ( -0.362 10.435 -13.878) 17.367 20.197 ( -2.894 -9.448 0.724) 9.908 20.441 ( 0.044 -4.845 3.317) 5.871 20.620 ( -2.793 4.812 -1.076) 5.667 21.198 ( -7.627 -9.354 2.163) 12.262 21.767 ( 0.949 7.417 0.367) 7.487 22.053 ( -1.899 2.592 0.444) 3.243 22.146 ( 0.060 0.771 2.619) 2.731 22.408 ( 0.908 -0.602 -8.874) 8.941 24.355 ( 2.505 -1.107 1.682) 3.214 24.404 ( -1.099 -2.462 -0.351) 2.719 108.020 ( -0.264 1.540 0.409) 1.615 108.164 ( -1.424 -2.996 1.656) 3.707 108.961 ( -0.508 2.352 -0.610) 2.482 108.975 ( -0.504 1.666 -0.391) 1.784 109.105 ( 0.520 -0.463 0.363) 0.785 109.176 ( 1.672 -2.166 -1.840) 3.298 ======================= Grid point 209 (113/148) ======================= q-point: ( 0.22 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 0.940 7.321 9.748) 12.227 1.768 ( 4.331 7.747 3.542) 9.556 2.015 ( 2.021 -1.545 3.698) 4.489 2.198 ( 1.965 -1.393 1.024) 2.618 2.415 ( 3.500 -0.962 5.106) 6.265 2.523 ( 1.387 -1.057 2.460) 3.016 2.809 ( 6.883 0.660 -6.460) 9.463 3.041 ( 8.809 -10.862 4.439) 14.673 3.689 ( 21.035 1.881 -0.410) 21.123 4.027 ( 4.261 -5.147 -9.982) 12.012 4.444 ( -2.019 6.724 0.110) 7.022 4.668 ( -1.886 -2.300 -0.473) 3.012 5.375 ( -13.325 6.564 0.027) 14.854 5.625 ( -19.559 -1.370 0.185) 19.608 6.078 ( -9.129 3.407 0.136) 9.745 6.399 ( -8.565 -3.227 1.465) 9.270 7.612 ( -1.588 5.019 0.524) 5.291 7.930 ( 4.973 -0.868 -0.565) 5.079 8.391 ( 6.705 -3.617 -1.834) 7.836 8.536 ( -10.003 -9.582 -1.072) 13.893 9.070 ( 1.190 -1.942 1.107) 2.533 9.211 ( -3.054 -1.164 -3.236) 4.599 9.470 ( -1.624 9.692 -1.180) 9.897 10.183 ( 0.158 -2.287 -1.369) 2.670 10.328 ( -8.762 4.624 1.031) 9.961 10.733 ( -5.909 -3.376 -0.685) 6.840 10.756 ( 9.065 1.638 0.665) 9.236 10.993 ( -6.154 0.817 0.836) 6.264 11.285 ( 5.113 -3.421 3.108) 6.893 11.608 ( 6.481 -12.778 1.321) 14.388 11.974 ( 4.854 9.470 2.513) 10.934 12.245 ( -4.450 7.305 1.083) 8.622 12.490 ( 3.628 -0.762 0.303) 3.720 12.824 ( -5.830 -6.174 3.024) 9.014 13.342 ( -4.823 5.365 2.234) 7.552 13.484 ( -2.767 -4.769 -2.384) 6.007 13.659 ( -7.002 -3.646 1.379) 8.014 13.882 ( 0.150 -10.795 7.447) 13.115 14.600 ( 9.771 0.221 1.700) 9.920 14.921 ( -2.193 -10.186 -1.079) 10.475 15.348 ( 4.600 6.797 0.521) 8.223 15.722 ( 5.644 -6.840 0.165) 8.869 16.105 ( 8.133 12.004 -2.323) 14.685 16.305 ( -0.808 7.941 -0.602) 8.004 16.900 ( 12.023 12.923 -8.192) 19.459 17.319 ( 12.095 0.320 -0.843) 12.128 17.692 ( 9.498 0.353 1.237) 9.584 18.022 ( 4.476 -13.277 2.773) 14.283 19.209 ( 0.461 13.218 0.080) 13.227 19.461 ( -2.380 8.862 -8.715) 12.655 20.148 ( -1.207 -7.673 -0.704) 7.799 20.433 ( 0.229 -3.587 0.188) 3.599 20.625 ( 1.790 0.307 1.796) 2.555 21.066 ( -4.845 -10.210 5.739) 12.675 21.773 ( -0.278 6.543 -0.121) 6.550 21.992 ( -3.860 2.457 -1.024) 4.689 22.135 ( -1.286 1.619 2.215) 3.030 22.374 ( -3.243 0.689 -6.874) 7.631 24.375 ( -1.603 -1.567 0.390) 2.275 24.421 ( 3.413 -2.745 1.521) 4.637 108.015 ( -0.166 1.327 0.267) 1.364 108.134 ( -1.521 -2.291 1.591) 3.177 108.949 ( -0.585 2.112 -0.525) 2.253 108.961 ( -0.826 1.721 -0.394) 1.949 109.125 ( 1.271 -0.460 0.566) 1.465 109.204 ( 1.171 -2.527 -1.981) 3.418 ======================= Grid point 210 (114/148) ======================= q-point: ( 0.33 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 2.025 3.854 5.661) 7.142 1.832 ( 2.866 -1.591 -1.995) 3.837 2.085 ( 3.237 3.432 3.326) 5.772 2.213 ( -0.428 -0.701 -0.468) 0.945 2.473 ( 2.669 -2.071 11.679) 12.158 2.580 ( 2.531 -0.319 2.012) 3.249 2.958 ( 8.016 6.143 -6.811) 12.181 3.263 ( 11.535 -7.597 1.385) 13.881 3.995 ( -0.513 1.874 -6.824) 7.095 4.099 ( 10.957 -1.162 3.351) 11.517 4.457 ( 0.673 1.926 -2.837) 3.495 4.733 ( 7.917 -4.032 -0.822) 8.923 5.117 ( -11.402 -1.251 -0.016) 11.471 5.233 ( -14.928 0.307 -0.228) 14.932 5.882 ( -8.888 0.375 -0.009) 8.896 6.232 ( -6.273 -6.170 0.838) 8.839 7.609 ( 1.087 8.435 0.438) 8.516 8.048 ( 6.181 3.464 -0.498) 7.103 8.249 ( -15.035 -3.508 -1.415) 15.504 8.536 ( 4.150 -4.406 -1.661) 6.276 9.051 ( -3.127 -0.051 0.471) 3.162 9.121 ( -3.851 1.189 -3.599) 5.404 9.411 ( -2.988 9.258 -1.032) 9.783 10.126 ( -8.451 8.573 -0.251) 12.041 10.231 ( 2.317 -13.549 1.237) 13.801 10.572 ( -5.242 -3.855 -0.204) 6.510 10.833 ( -0.773 -2.420 1.183) 2.802 11.070 ( 7.643 1.880 0.864) 7.918 11.453 ( 9.716 -1.006 1.752) 9.924 11.747 ( 6.364 -12.716 4.601) 14.946 11.985 ( -2.901 11.871 0.565) 12.234 12.257 ( 4.848 3.970 3.379) 7.119 12.581 ( 3.678 -0.816 1.201) 3.954 12.732 ( -2.123 -6.166 0.844) 6.576 13.216 ( -6.508 3.970 2.599) 8.054 13.398 ( -5.331 -3.308 -1.806) 6.529 13.544 ( -2.896 -4.359 -2.003) 5.604 13.847 ( -4.551 -11.753 8.178) 15.024 14.731 ( 2.314 -1.056 -0.000) 2.544 14.894 ( 0.417 -7.861 -4.902) 9.273 15.440 ( 3.821 9.909 0.672) 10.641 15.817 ( 3.400 -5.800 0.093) 6.724 16.250 ( 5.080 12.388 0.306) 13.393 16.337 ( 4.059 13.361 -0.364) 13.969 17.128 ( 9.428 12.575 -9.852) 18.549 17.546 ( 9.054 -3.418 1.379) 9.775 17.843 ( 4.438 -2.326 -0.303) 5.020 18.151 ( 7.204 -11.779 4.157) 14.420 19.178 ( -2.548 12.499 -1.542) 12.849 19.384 ( -5.162 6.150 -2.356) 8.367 20.171 ( 3.787 -7.380 -2.433) 8.645 20.437 ( -0.449 -9.124 -3.117) 9.652 20.687 ( 4.222 2.975 1.155) 5.293 21.017 ( -0.337 -8.853 5.513) 10.435 21.758 ( -1.145 4.804 -0.303) 4.947 21.897 ( -4.990 1.912 -1.484) 5.546 22.106 ( -1.289 3.654 2.361) 4.537 22.281 ( -4.881 2.760 -3.292) 6.503 24.339 ( -1.809 -0.360 0.591) 1.936 24.491 ( 2.984 -4.520 2.211) 5.850 108.013 ( -0.031 1.018 0.133) 1.027 108.106 ( -1.194 -1.734 1.199) 2.423 108.937 ( -0.490 1.811 -0.637) 1.982 108.943 ( -0.815 1.807 -0.313) 2.007 109.154 ( 1.280 -0.599 0.794) 1.621 109.222 ( 0.724 -2.450 -1.791) 3.120 ======================= Grid point 211 (115/148) ======================= q-point: ( 0.44 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( 2.522 4.024 -0.466) 4.772 1.905 ( 3.579 -6.018 -0.756) 7.042 2.104 ( -1.643 3.674 0.251) 4.033 2.194 ( -0.995 0.078 -0.090) 1.002 2.539 ( 2.071 -0.454 7.112) 7.421 2.627 ( 2.050 -1.828 5.718) 6.343 3.096 ( 4.471 10.522 -5.128) 12.530 3.486 ( 8.719 -0.857 3.286) 9.357 3.942 ( -3.515 -0.974 -4.692) 5.943 4.208 ( 0.507 -3.340 3.094) 4.581 4.450 ( -1.185 3.918 -3.812) 5.593 4.800 ( -2.117 -1.635 -0.348) 2.697 4.927 ( -3.952 -8.612 -0.572) 9.493 5.148 ( 2.695 -3.412 -1.509) 4.603 5.757 ( -2.296 -0.099 0.315) 2.320 6.158 ( -1.395 -7.449 0.021) 7.579 7.667 ( 5.263 8.219 0.193) 9.761 7.919 ( -14.744 1.425 -1.575) 14.896 8.165 ( 4.222 6.900 -0.862) 8.136 8.579 ( 0.492 -4.668 -0.187) 4.698 8.982 ( -2.503 1.679 -1.221) 3.252 9.067 ( -1.118 -0.886 -2.215) 2.635 9.370 ( -0.942 9.352 -0.602) 9.418 9.975 ( -4.343 3.495 -0.039) 5.575 10.284 ( 1.720 -5.569 1.636) 6.054 10.544 ( 0.903 -9.691 -0.757) 9.762 10.802 ( -1.131 -3.566 0.685) 3.803 11.182 ( 2.553 -2.607 1.576) 3.975 11.616 ( 4.101 0.254 0.669) 4.163 11.851 ( 2.259 -4.016 7.205) 8.553 11.953 ( 1.010 9.942 -0.513) 10.007 12.358 ( 3.774 -2.754 2.158) 5.147 12.649 ( 3.118 -0.755 0.470) 3.242 12.724 ( 0.753 -0.345 -0.267) 0.870 13.095 ( -4.605 2.991 3.068) 6.290 13.314 ( -2.035 -5.397 -1.943) 6.087 13.540 ( 1.534 -7.304 -3.164) 8.106 13.732 ( -4.704 -7.199 6.777) 10.949 14.730 ( -1.359 -0.384 -2.311) 2.708 14.911 ( 0.809 -8.865 -5.119) 10.269 15.496 ( 1.383 12.118 0.802) 12.223 15.863 ( 1.093 -5.693 0.040) 5.797 16.333 ( 2.931 15.785 1.812) 16.157 16.407 ( 1.352 13.094 -0.380) 13.169 17.244 ( 2.083 13.781 -8.811) 16.489 17.689 ( 4.744 -6.023 2.765) 8.150 17.884 ( -0.049 -5.013 -2.063) 5.421 18.277 ( 3.226 -11.286 5.887) 13.132 19.118 ( -3.246 9.654 0.836) 10.219 19.257 ( -5.840 5.911 0.801) 8.348 20.276 ( 5.134 -8.532 -2.231) 10.205 20.404 ( -1.935 -9.940 -4.825) 11.217 20.790 ( 5.004 3.461 -1.623) 6.297 21.058 ( 4.052 -7.235 0.922) 8.343 21.733 ( -1.045 2.810 0.324) 3.016 21.796 ( -4.140 1.932 -0.693) 4.621 22.095 ( 0.033 4.975 2.292) 5.478 22.184 ( -3.966 4.738 0.129) 6.180 24.307 ( -1.114 0.726 1.042) 1.689 24.542 ( 1.607 -5.750 2.310) 6.402 108.014 ( 0.012 0.777 0.084) 0.782 108.090 ( -0.381 -1.435 0.852) 1.712 108.926 ( -0.498 1.862 -0.520) 1.996 108.932 ( -0.129 1.608 -0.385) 1.658 109.176 ( 0.683 -0.738 0.869) 1.329 109.231 ( 0.241 -2.226 -1.675) 2.797 ======================= Grid point 212 (116/148) ======================= q-point: (-0.44 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( 2.852 3.533 -2.985) 5.434 1.905 ( -5.134 -4.550 -0.525) 6.880 2.087 ( 1.565 2.725 0.631) 3.205 2.175 ( -0.884 0.155 0.628) 1.095 2.551 ( -1.282 0.753 4.827) 5.051 2.672 ( 1.537 -2.470 4.794) 5.608 3.088 ( -5.045 11.451 -4.328) 13.241 3.584 ( -0.785 5.644 2.741) 6.324 3.816 ( -6.988 -11.517 -1.946) 13.611 4.238 ( 1.660 -4.893 3.241) 6.099 4.407 ( -1.669 7.398 -3.751) 8.461 4.831 ( 4.349 -0.173 -1.516) 4.609 4.942 ( 5.410 -9.118 -1.407) 10.696 5.134 ( -3.209 -4.218 -0.982) 5.390 5.767 ( 2.632 -0.042 -0.014) 2.632 6.155 ( 1.016 -7.191 0.082) 7.263 7.679 ( -6.006 7.642 -0.402) 9.728 7.882 ( 13.693 2.098 0.007) 13.853 8.184 ( -2.470 6.889 -1.681) 7.508 8.577 ( -0.952 -4.335 -0.008) 4.439 8.964 ( 1.014 3.807 -0.604) 3.985 9.068 ( 1.144 -1.878 -1.733) 2.800 9.367 ( 0.758 8.820 -0.718) 8.882 9.974 ( 4.155 4.403 0.054) 6.054 10.307 ( 0.063 -6.663 0.580) 6.689 10.537 ( -0.944 -11.041 -0.447) 11.090 10.826 ( 3.064 -2.610 -0.288) 4.035 11.176 ( -3.309 -1.434 1.743) 4.006 11.595 ( -5.863 0.928 1.518) 6.127 11.850 ( -2.175 2.681 5.119) 6.174 12.010 ( 3.117 0.294 -1.026) 3.294 12.388 ( -1.043 -1.987 1.111) 2.504 12.709 ( 3.266 -2.098 -1.782) 4.271 12.770 ( 2.829 -0.128 -2.214) 3.595 13.074 ( 2.683 4.132 3.659) 6.137 13.302 ( 0.546 -7.079 0.239) 7.104 13.486 ( -3.938 -3.268 -2.198) 5.569 13.821 ( 11.060 -7.963 4.080) 14.226 14.684 ( -2.794 -0.394 -1.374) 3.138 14.906 ( -0.954 -10.142 -4.844) 11.280 15.498 ( -1.270 12.645 0.727) 12.730 15.865 ( -0.960 -5.748 -0.082) 5.828 16.351 ( -2.077 16.131 2.236) 16.417 16.380 ( -3.618 13.145 -0.653) 13.649 17.199 ( -5.520 15.087 -6.768) 17.432 17.748 ( 0.253 -7.229 1.925) 7.485 17.840 ( -3.802 -5.115 -1.852) 6.636 18.260 ( -5.360 -12.040 6.689) 14.780 19.044 ( -3.827 9.064 3.344) 10.391 19.193 ( 0.069 5.384 3.131) 6.229 20.294 ( -3.097 -7.957 -2.853) 9.002 20.405 ( 1.954 -11.411 -4.498) 12.420 20.870 ( 2.930 4.642 -4.762) 7.267 21.185 ( 7.920 -6.525 -4.701) 11.288 21.695 ( -2.815 1.742 2.123) 3.933 21.771 ( 2.245 1.651 0.686) 2.870 22.104 ( 0.211 5.253 2.771) 5.943 22.127 ( -1.274 5.901 1.455) 6.210 24.298 ( 0.124 1.132 1.361) 1.775 24.558 ( -0.198 -6.131 1.704) 6.366 108.014 ( -0.016 0.776 0.097) 0.782 108.094 ( 0.757 -1.578 0.661) 1.871 108.920 ( 0.012 2.086 -0.307) 2.109 108.935 ( 0.378 1.394 -0.468) 1.518 109.182 ( -0.131 -0.838 0.836) 1.191 109.228 ( -0.511 -2.005 -1.752) 2.711 ======================= Grid point 213 (117/148) ======================= q-point: (-0.33 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 4.755 1.740 -1.094) 5.180 1.743 ( -8.752 1.274 0.468) 8.857 2.114 ( -0.698 2.650 1.279) 3.024 2.157 ( -0.986 0.905 0.946) 1.639 2.505 ( -3.060 0.982 5.363) 6.252 2.691 ( -0.228 -2.685 2.772) 3.866 2.919 ( -9.449 8.441 -5.770) 13.922 3.457 ( -8.568 -4.291 -3.453) 10.186 3.696 ( -6.549 -5.201 4.845) 9.665 4.162 ( -11.025 -14.925 0.624) 18.566 4.424 ( 3.347 12.483 -1.875) 13.059 4.766 ( -7.297 -1.439 -2.562) 7.866 5.145 ( 10.558 -0.531 -1.142) 10.633 5.253 ( 17.054 -0.891 -1.171) 17.118 5.877 ( 7.726 -0.063 0.185) 7.728 6.216 ( 5.486 -5.994 1.431) 8.251 7.624 ( -0.109 9.204 -0.332) 9.210 8.086 ( -5.856 4.910 -2.047) 7.912 8.216 ( 16.568 -3.898 -0.078) 17.021 8.510 ( -5.685 -4.036 -0.409) 6.984 9.015 ( 2.710 4.640 1.767) 5.657 9.103 ( 2.517 -1.429 -2.111) 3.583 9.412 ( 3.915 8.010 -1.431) 9.029 10.106 ( 5.949 9.581 0.701) 11.300 10.279 ( -0.412 -16.289 -1.020) 16.326 10.585 ( 5.919 -4.640 -0.658) 7.550 10.881 ( 0.987 -1.160 -0.736) 1.691 11.050 ( -8.113 3.668 1.442) 9.019 11.435 ( -7.719 -1.105 2.152) 8.090 11.757 ( -7.300 -5.532 3.285) 9.730 12.069 ( 3.362 1.287 -2.399) 4.326 12.345 ( -3.165 5.957 0.104) 6.746 12.761 ( -3.781 -3.186 -5.809) 7.628 12.803 ( 5.673 -3.983 -2.675) 7.430 13.186 ( 6.611 3.674 3.832) 8.479 13.330 ( 2.816 -8.186 2.416) 8.987 13.507 ( 6.152 2.874 -1.222) 6.899 14.071 ( 10.175 -12.413 1.025) 16.082 14.633 ( -0.825 -1.322 3.509) 3.839 14.859 ( -3.628 -9.812 -4.280) 11.303 15.448 ( -3.284 10.966 0.255) 11.450 15.818 ( -3.655 -5.931 -0.039) 6.967 16.228 ( -9.757 13.260 1.236) 16.509 16.288 ( -4.537 14.667 0.507) 15.361 17.024 ( -10.156 15.476 -4.869) 19.140 17.628 ( -11.435 -4.329 -2.110) 12.407 17.784 ( -2.341 -4.713 2.698) 5.913 18.110 ( -8.002 -12.511 5.425) 15.811 18.970 ( -3.432 10.480 5.631) 12.382 19.251 ( 4.395 3.874 3.534) 6.842 20.221 ( -2.752 -6.839 -4.439) 8.605 20.414 ( -0.901 -13.405 -1.676) 13.539 20.913 ( 1.772 6.904 -8.147) 10.825 21.354 ( 8.257 -6.622 -9.382) 14.144 21.650 ( -1.596 2.949 4.441) 5.565 21.858 ( 5.490 -0.524 1.386) 5.687 22.098 ( -0.410 6.450 5.511) 8.493 22.134 ( 0.916 5.053 -0.176) 5.139 24.311 ( 0.890 0.688 1.462) 1.845 24.538 ( -1.769 -5.695 0.549) 5.988 108.014 ( 0.096 1.011 0.132) 1.024 108.120 ( 1.645 -2.208 0.568) 2.812 108.926 ( 0.604 2.345 -0.233) 2.433 108.946 ( 0.730 1.317 -0.450) 1.571 109.172 ( -0.841 -0.931 0.804) 1.490 109.206 ( -1.416 -1.721 -1.859) 2.902 ======================= Grid point 214 (118/148) ======================= q-point: (-0.22 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( -6.340 8.530 3.997) 11.354 1.784 ( 4.207 1.728 0.924) 4.641 2.030 ( -7.563 6.524 3.681) 10.645 2.116 ( -2.742 2.052 1.298) 3.662 2.468 ( -0.133 -1.765 1.991) 2.664 2.646 ( -5.374 -4.296 2.303) 7.255 2.742 ( -5.757 5.571 -3.880) 8.901 3.302 ( -7.163 -7.053 -5.452) 11.436 3.514 ( -8.943 -5.058 5.922) 11.858 3.813 ( -19.546 -16.889 -1.160) 25.858 4.526 ( 6.522 10.554 -3.337) 12.848 4.703 ( 1.110 0.870 -2.173) 2.590 5.393 ( 13.199 6.750 -0.700) 14.842 5.653 ( 19.007 -1.540 -1.062) 19.099 6.057 ( 8.915 3.127 0.989) 9.499 6.378 ( 8.672 -3.139 2.259) 9.495 7.644 ( 1.880 7.224 -0.949) 7.525 7.961 ( -5.526 0.150 -1.852) 5.830 8.353 ( -8.125 -3.727 -0.117) 8.940 8.530 ( 12.865 -9.647 -0.770) 16.099 9.028 ( -1.210 -0.056 3.115) 3.342 9.169 ( 2.609 -0.906 -1.839) 3.318 9.498 ( 3.131 8.393 -2.159) 9.215 10.141 ( -0.021 -0.363 0.377) 0.524 10.385 ( 7.978 0.868 -1.368) 8.141 10.698 ( 0.025 -0.993 0.865) 1.317 10.773 ( -7.414 0.367 -0.177) 7.426 11.014 ( 6.536 0.969 -0.173) 6.610 11.334 ( -1.402 -3.271 0.733) 3.633 11.591 ( -7.900 -9.010 1.587) 12.087 12.121 ( -0.028 4.161 -3.234) 5.270 12.280 ( -1.952 9.640 -0.045) 9.836 12.629 ( -5.925 -1.168 -5.588) 8.228 12.929 ( 5.064 -2.969 -1.956) 6.187 13.303 ( 3.427 2.958 3.268) 5.584 13.438 ( 6.962 -10.796 1.119) 12.894 13.678 ( 8.885 1.915 0.244) 9.092 14.143 ( -2.731 -10.097 -4.192) 11.268 14.695 ( -5.173 -7.158 2.147) 9.089 14.743 ( 2.566 -8.491 3.844) 9.668 15.379 ( -2.991 7.419 -0.901) 8.049 15.722 ( -5.093 -6.143 0.175) 7.982 15.980 ( -12.910 15.424 1.671) 20.183 16.216 ( -2.028 9.888 1.888) 10.269 16.816 ( -8.267 15.040 -3.405) 17.497 17.335 ( -15.447 -0.429 -0.746) 15.471 17.689 ( -7.231 -2.250 1.528) 7.725 17.986 ( -3.834 -13.507 3.488) 14.467 18.925 ( -1.125 12.291 8.437) 14.951 19.349 ( 4.427 3.520 0.085) 5.657 20.195 ( 0.800 -6.230 -3.555) 7.218 20.382 ( -1.805 -14.678 2.077) 14.934 20.926 ( 0.087 9.086 -12.114) 15.143 21.485 ( 4.508 -7.259 -12.445) 15.096 21.637 ( -0.014 4.705 5.960) 7.593 21.977 ( 5.163 -1.674 2.168) 5.844 22.103 ( 0.483 5.142 6.371) 8.201 22.157 ( 1.742 5.456 -0.877) 5.794 24.329 ( 0.453 -0.128 1.521) 1.593 24.492 ( -2.361 -4.703 -0.657) 5.303 108.018 ( 0.235 1.308 0.193) 1.342 108.158 ( 1.759 -3.137 0.498) 3.631 108.944 ( 1.025 2.575 -0.425) 2.804 108.962 ( 0.780 1.343 -0.417) 1.609 109.151 ( -1.213 -1.016 0.796) 1.771 109.169 ( -1.890 -1.265 -1.664) 2.818 ======================= Grid point 215 (119/148) ======================= q-point: (-0.11 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( -0.449 14.990 5.868) 16.104 1.720 ( -10.652 10.460 11.594) 18.902 1.920 ( -2.225 2.675 -1.625) 3.840 2.085 ( 0.317 2.091 0.109) 2.118 2.466 ( -4.959 -6.489 1.639) 8.330 2.512 ( -1.525 -6.109 -4.948) 8.008 2.681 ( -1.444 6.157 8.264) 10.406 3.069 ( -12.472 0.950 0.704) 12.528 3.432 ( -9.782 -13.766 2.787) 17.116 3.508 ( 1.213 -14.557 -8.661) 16.982 4.659 ( 5.504 7.945 -4.878) 10.826 4.750 ( 2.403 1.250 -1.784) 3.244 5.662 ( 11.599 12.388 -0.133) 16.971 5.975 ( 10.969 0.551 -0.221) 10.985 6.219 ( 5.887 6.266 1.337) 8.701 6.518 ( 3.923 -0.471 1.775) 4.331 7.697 ( 3.007 2.267 -1.157) 3.940 7.866 ( -3.422 -4.862 -1.326) 6.091 8.203 ( -5.308 -4.067 -0.121) 6.688 8.761 ( 9.071 -12.920 -1.089) 15.824 9.003 ( -0.820 -4.646 2.044) 5.141 9.160 ( -3.271 -5.363 0.724) 6.324 9.523 ( 0.045 9.581 -2.899) 10.010 10.108 ( -3.961 -1.048 -0.331) 4.111 10.476 ( -2.845 4.217 0.181) 5.090 10.613 ( 1.420 6.863 -0.967) 7.075 10.800 ( 7.427 -0.969 0.834) 7.536 11.160 ( 2.400 -0.812 0.344) 2.557 11.389 ( 2.937 -7.734 -1.497) 8.407 11.475 ( 1.192 -1.748 1.250) 2.458 12.058 ( -5.284 4.511 -5.935) 9.138 12.202 ( -5.636 4.007 0.591) 6.940 12.621 ( 5.647 5.208 -1.134) 7.765 12.956 ( -3.279 1.156 0.082) 3.477 13.326 ( -0.808 -0.303 1.704) 1.910 13.575 ( 4.893 -10.770 2.015) 12.000 13.822 ( 3.806 0.250 -0.406) 3.836 14.053 ( -4.413 -5.575 -4.129) 8.223 14.425 ( -12.561 0.182 -1.765) 12.685 14.893 ( 4.878 -19.751 8.913) 22.211 15.316 ( -3.307 5.342 -2.360) 6.711 15.616 ( -5.238 -8.340 0.194) 9.850 15.781 ( -4.093 17.456 1.989) 18.040 16.218 ( 1.801 4.356 3.141) 5.664 16.718 ( -0.741 12.346 -2.461) 12.611 17.040 ( -11.516 4.101 -0.129) 12.225 17.518 ( -7.936 1.092 0.125) 8.012 17.942 ( -1.183 -14.006 2.533) 14.283 18.946 ( 2.465 13.165 10.205) 16.839 19.429 ( 3.581 5.177 -5.894) 8.623 20.238 ( 2.716 -6.534 -2.368) 7.461 20.354 ( -0.753 -14.805 6.501) 16.187 20.884 ( -3.493 10.486 -14.048) 17.874 21.487 ( -3.515 -7.272 -8.540) 11.754 21.670 ( 2.692 6.322 3.543) 7.731 22.050 ( 1.693 1.240 4.062) 4.572 22.121 ( 0.549 1.849 4.508) 4.904 22.232 ( 5.625 3.177 -3.620) 7.405 24.328 ( -0.578 -0.498 1.585) 1.759 24.449 ( -1.550 -3.670 -1.071) 4.125 108.023 ( 0.168 1.513 0.304) 1.553 108.186 ( 0.734 -3.848 0.599) 3.963 108.964 ( 0.770 2.620 -0.892) 2.873 108.976 ( 0.521 1.473 -0.423) 1.618 109.125 ( -1.283 -0.967 0.616) 1.720 109.137 ( -0.680 -0.926 -1.017) 1.534 ======================= Grid point 216 (120/148) ======================= q-point: ( 0.00 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( -0.203 8.662 9.037) 12.520 1.808 ( -1.616 10.951 10.270) 15.100 1.891 ( -3.164 -0.914 3.448) 4.768 2.072 ( -2.834 -10.865 6.568) 13.008 2.256 ( 1.577 6.659 -10.476) 12.513 2.412 ( 3.375 -7.958 -6.984) 11.113 2.733 ( -7.253 7.314 8.479) 13.342 2.906 ( -9.597 -8.495 10.405) 16.509 3.199 ( 8.937 7.757 -6.657) 13.578 3.409 ( 10.240 -12.438 -5.970) 17.182 4.774 ( -1.964 2.056 -4.024) 4.927 4.790 ( -0.926 0.156 -3.522) 3.645 6.032 ( -0.932 8.639 0.705) 8.718 6.113 ( -0.459 -0.382 0.489) 0.772 6.427 ( 0.417 6.629 1.570) 6.825 6.524 ( 0.243 -3.284 1.542) 3.636 7.673 ( -0.559 -2.823 -1.038) 3.059 7.691 ( -0.547 -4.674 -0.815) 4.776 8.265 ( 0.629 12.402 -0.710) 12.439 8.556 ( -0.399 -16.703 -0.610) 16.719 8.920 ( 0.303 -0.639 0.516) 0.875 8.977 ( 0.587 -5.843 1.507) 6.063 9.720 ( -0.333 11.525 -2.727) 11.848 9.931 ( 0.129 -9.784 -1.799) 9.949 10.555 ( 1.029 8.236 -1.001) 8.361 10.743 ( 1.066 -10.785 -0.895) 10.875 10.913 ( -0.395 15.519 0.581) 15.535 11.176 ( 0.747 -9.143 0.607) 9.194 11.322 ( -1.804 5.989 -0.075) 6.255 11.471 ( -2.033 -7.769 -0.565) 8.050 12.034 ( -3.868 7.484 -1.711) 8.597 12.135 ( -0.187 -3.075 -2.106) 3.732 12.833 ( -0.180 5.517 0.704) 5.564 12.923 ( -2.736 -1.212 2.315) 3.783 13.313 ( 1.370 5.044 3.823) 6.476 13.471 ( 1.018 -8.894 6.846) 11.269 13.865 ( -1.928 0.773 -1.294) 2.448 13.879 ( -5.184 -0.792 -2.671) 5.885 14.365 ( 0.736 5.504 0.508) 5.576 14.563 ( 1.742 -15.882 1.988) 16.100 15.323 ( -1.296 3.573 0.889) 3.904 15.409 ( -0.932 -5.677 1.099) 5.857 16.090 ( 3.165 11.723 -0.153) 12.143 16.244 ( 2.223 -4.520 1.199) 5.178 16.891 ( -0.116 8.208 -1.816) 8.407 16.988 ( 1.292 -1.230 -1.965) 2.654 17.517 ( -0.096 7.006 0.948) 7.071 17.690 ( 0.219 -11.074 1.656) 11.199 19.302 ( 4.140 14.286 6.310) 16.157 19.522 ( 3.987 -6.096 -3.080) 7.909 20.119 ( 0.135 -0.569 0.731) 0.936 20.212 ( 3.656 -8.267 0.929) 9.087 20.972 ( -8.148 11.773 -9.167) 17.001 21.187 ( -8.094 -10.358 -6.720) 14.763 21.869 ( 2.328 7.237 0.351) 7.611 22.000 ( 1.204 -6.183 1.453) 6.464 22.240 ( 0.786 6.063 2.662) 6.668 22.326 ( 2.782 -2.708 -1.331) 4.104 24.329 ( 0.140 1.153 0.635) 1.324 24.367 ( -0.402 -2.710 -0.235) 2.750 108.063 ( -0.153 2.493 0.694) 2.592 108.118 ( -0.330 -3.274 1.013) 3.443 109.003 ( -0.092 1.195 -0.381) 1.258 109.010 ( -0.025 0.762 -0.642) 0.997 109.098 ( -0.142 0.200 -0.249) 0.349 109.116 ( 0.550 -1.401 -0.959) 1.784 ======================= Grid point 217 (121/148) ======================= q-point: ( 0.11 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( -5.406 11.352 9.136) 15.542 1.823 ( 0.125 3.864 7.135) 8.115 1.906 ( 4.014 -1.046 7.916) 8.937 2.052 ( 1.399 -10.081 6.352) 11.997 2.361 ( 8.002 8.212 -7.603) 13.758 2.495 ( 3.045 -4.695 1.204) 5.725 2.651 ( 1.214 3.064 -1.721) 3.718 2.783 ( -2.565 -9.044 6.451) 11.402 3.442 ( 14.461 9.636 -4.364) 17.917 3.649 ( 12.927 -11.297 -7.794) 18.854 4.674 ( -6.706 3.349 -2.030) 7.766 4.717 ( -5.288 -1.529 -2.133) 5.904 5.848 ( -14.474 8.477 0.676) 16.787 5.953 ( -13.981 -2.499 0.358) 14.207 6.363 ( -6.719 6.839 1.364) 9.683 6.479 ( -5.571 -4.711 1.676) 7.486 7.695 ( 2.355 1.809 -0.129) 2.973 7.755 ( 5.523 -4.204 -0.029) 6.941 8.273 ( 1.360 6.750 -1.442) 7.035 8.473 ( -5.684 -13.226 -0.390) 14.401 8.985 ( 5.025 1.399 0.236) 5.221 9.069 ( 5.821 -6.508 0.105) 8.732 9.724 ( 0.292 12.970 -2.529) 13.217 9.969 ( 2.408 -12.042 -2.031) 12.447 10.627 ( 5.143 6.574 -1.197) 8.432 10.757 ( -0.645 -5.825 -1.082) 5.959 10.823 ( -6.665 15.884 0.874) 17.248 11.110 ( -9.078 -11.741 -0.348) 14.845 11.226 ( -4.459 3.432 2.007) 5.974 11.345 ( -4.067 -7.466 2.124) 8.764 12.059 ( 4.664 9.714 0.319) 10.780 12.205 ( 5.624 -5.238 -1.628) 7.856 12.712 ( -9.964 8.043 2.562) 13.059 12.843 ( -6.206 -4.978 3.444) 8.669 13.375 ( 3.874 2.805 1.328) 4.963 13.469 ( -1.488 -5.794 2.871) 6.635 13.761 ( -5.442 0.216 2.594) 6.032 13.788 ( -4.932 -2.266 1.736) 5.698 14.469 ( 8.085 6.628 0.334) 10.460 14.659 ( 5.505 -13.348 0.603) 14.451 15.352 ( 3.891 4.559 1.226) 6.118 15.455 ( 5.029 -6.380 0.998) 8.184 16.181 ( 5.441 9.732 -1.472) 11.247 16.306 ( 3.595 -3.377 -0.172) 4.936 16.950 ( 6.283 10.795 -3.163) 12.885 17.092 ( 8.038 -3.424 -2.942) 9.218 17.572 ( 5.173 5.610 1.405) 7.759 17.723 ( 2.820 -10.246 1.838) 10.784 19.388 ( 3.457 12.504 2.229) 13.163 19.578 ( 1.467 -4.749 -6.866) 8.477 20.116 ( -0.667 3.434 -0.496) 3.533 20.272 ( 1.553 -10.273 -0.624) 10.409 20.795 ( -7.086 10.891 -1.051) 13.036 21.004 ( -8.264 -10.690 0.313) 13.515 21.897 ( 0.316 6.238 -1.361) 6.393 22.007 ( -0.747 -5.042 -0.104) 5.098 22.250 ( -0.095 7.112 1.515) 7.272 22.363 ( 0.639 -4.215 -2.751) 5.073 24.344 ( 1.174 0.098 0.747) 1.395 24.361 ( -0.155 -1.719 -0.060) 1.727 108.057 ( -0.461 2.301 0.706) 2.450 108.107 ( -0.830 -2.867 1.158) 3.202 108.996 ( -0.521 1.243 -0.415) 1.410 109.003 ( -0.541 0.727 -0.458) 1.015 109.105 ( 0.720 0.676 -0.256) 1.020 109.134 ( 1.094 -2.107 -1.147) 2.637 ======================= Grid point 218 (122/148) ======================= q-point: ( 0.22 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( -3.153 9.222 7.414) 12.245 1.776 ( -3.485 -6.184 2.953) 7.688 2.040 ( 6.697 4.019 8.150) 11.289 2.128 ( 4.147 -4.823 5.006) 8.094 2.471 ( 0.307 4.906 8.292) 9.639 2.525 ( 2.174 -0.053 2.488) 3.305 2.802 ( 10.985 -0.216 -8.366) 13.809 2.861 ( 10.926 -7.001 -2.850) 13.286 3.769 ( 16.225 6.163 -3.752) 17.757 3.904 ( 11.078 -7.268 -8.432) 15.705 4.545 ( -4.192 3.956 0.110) 5.765 4.612 ( -3.418 -3.263 -0.210) 4.730 5.502 ( -17.833 6.243 0.129) 18.895 5.593 ( -19.308 -2.912 0.105) 19.527 6.170 ( -11.182 6.138 0.883) 12.787 6.299 ( -10.881 -6.678 1.441) 12.848 7.750 ( 2.674 8.624 1.097) 9.096 7.889 ( 6.747 -4.567 0.818) 8.189 8.334 ( 3.336 -1.774 -1.625) 4.113 8.367 ( -3.618 -6.056 -1.562) 7.225 9.075 ( 2.491 2.532 -0.021) 3.552 9.149 ( 1.008 -4.430 -1.219) 4.704 9.704 ( -2.147 13.823 -2.388) 14.191 9.973 ( -1.867 -13.722 -1.871) 13.974 10.532 ( -11.480 9.426 -0.535) 14.864 10.655 ( -11.205 -4.510 -0.725) 12.101 10.845 ( 6.725 7.825 1.185) 10.386 10.983 ( 0.774 -3.565 1.520) 3.952 11.242 ( 6.155 0.085 2.755) 6.744 11.346 ( 3.770 -11.310 2.003) 12.089 12.179 ( 5.844 9.942 1.114) 11.586 12.313 ( 3.114 -2.720 0.500) 4.165 12.524 ( -5.450 6.393 2.462) 8.754 12.683 ( -7.928 -8.516 3.571) 12.171 13.402 ( -4.952 1.071 -0.578) 5.099 13.423 ( -0.868 -1.451 -2.573) 3.079 13.634 ( -6.271 1.620 4.215) 7.728 13.717 ( -2.658 -6.630 7.031) 10.023 14.637 ( 6.848 3.745 -0.137) 7.807 14.745 ( 2.712 -7.559 -1.445) 8.159 15.466 ( 6.339 5.916 0.830) 8.710 15.587 ( 6.613 -6.785 0.553) 9.490 16.315 ( 7.424 8.486 -0.743) 11.299 16.396 ( 5.256 0.491 0.124) 5.280 17.127 ( 10.051 10.511 -4.861) 15.334 17.282 ( 9.707 -4.990 -2.708) 11.245 17.712 ( 7.291 2.456 1.147) 7.779 17.812 ( 5.692 -8.195 2.190) 10.215 19.434 ( 0.508 10.245 -1.646) 10.389 19.563 ( -2.415 -1.065 -7.930) 8.357 20.089 ( -1.315 3.934 -1.384) 4.373 20.264 ( -1.839 -11.437 -3.089) 11.989 20.720 ( -0.196 7.595 4.006) 8.589 20.882 ( -3.259 -9.073 5.837) 11.270 21.882 ( -1.554 5.011 -1.951) 5.597 21.968 ( -2.914 -3.739 -1.311) 4.918 22.238 ( -1.183 6.984 1.354) 7.212 22.346 ( -1.950 -3.744 -2.292) 4.803 24.357 ( -0.270 -0.097 0.520) 0.594 24.374 ( 1.554 -1.857 0.821) 2.557 108.047 ( -0.497 1.947 0.550) 2.084 108.088 ( -0.950 -2.344 1.011) 2.724 108.982 ( -0.720 1.216 -0.473) 1.490 108.988 ( -0.806 0.752 -0.457) 1.193 109.125 ( 1.188 0.701 -0.041) 1.381 109.156 ( 1.095 -2.322 -1.044) 2.772 ======================= Grid point 219 (123/148) ======================= q-point: ( 0.33 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 0.823 6.713 3.840) 7.777 1.735 ( 0.014 -7.112 0.913) 7.170 2.152 ( 2.966 2.669 2.682) 4.808 2.191 ( 1.166 -1.580 1.376) 2.397 2.491 ( 1.973 3.432 10.616) 11.330 2.558 ( 1.129 -2.547 5.897) 6.522 3.058 ( 13.068 4.404 -6.888) 15.414 3.143 ( 14.794 -5.060 -2.577) 15.847 4.011 ( 3.669 1.414 -5.925) 7.111 4.059 ( 5.555 -2.914 -3.638) 7.252 4.529 ( 2.132 4.629 -0.106) 5.098 4.629 ( 4.761 -5.828 0.159) 7.527 5.141 ( -16.104 3.781 -0.035) 16.542 5.218 ( -14.894 -2.946 -0.175) 15.184 5.944 ( -9.275 6.034 0.271) 11.068 6.088 ( -8.039 -8.243 0.595) 11.529 7.798 ( 1.483 10.801 0.595) 10.919 7.996 ( 1.553 -8.761 0.550) 8.915 8.278 ( -2.144 6.575 -1.243) 7.027 8.421 ( 3.081 -7.302 -1.240) 8.022 9.067 ( -2.739 1.814 -0.427) 3.313 9.109 ( -3.744 -2.004 -1.857) 4.635 9.647 ( -2.285 14.484 -1.595) 14.750 9.938 ( -0.801 -15.379 -0.325) 15.404 10.305 ( -8.904 8.477 -0.512) 12.305 10.458 ( -6.753 -7.542 -0.566) 10.139 10.890 ( -1.094 7.508 1.995) 7.846 11.040 ( 1.833 -5.771 1.908) 6.348 11.449 ( 12.032 1.289 1.718) 12.222 11.531 ( 12.437 -7.914 2.896) 15.023 12.217 ( -3.186 10.609 1.497) 11.178 12.318 ( -0.394 0.770 3.388) 3.497 12.552 ( 4.360 -1.314 1.162) 4.699 12.597 ( 1.451 -6.589 1.003) 6.821 13.267 ( -7.430 2.208 0.531) 7.770 13.325 ( -7.167 -3.810 -1.162) 8.199 13.546 ( -2.503 3.953 1.228) 4.837 13.662 ( -3.257 -7.841 5.980) 10.385 14.730 ( 2.214 1.204 -2.089) 3.273 14.781 ( 1.201 -4.122 -4.060) 5.909 15.590 ( 4.970 6.318 0.961) 8.095 15.703 ( 4.265 -5.846 0.669) 7.267 16.467 ( 6.672 8.734 0.310) 10.995 16.523 ( 6.411 3.943 0.948) 7.586 17.317 ( 7.964 7.936 -4.660) 12.170 17.461 ( 7.261 -6.347 -1.475) 9.756 17.831 ( 3.747 3.154 0.287) 4.907 17.956 ( 7.003 -8.685 2.719) 11.483 19.392 ( -4.150 8.802 -3.082) 10.208 19.471 ( -5.697 1.167 -4.269) 7.214 20.093 ( 2.224 1.046 -1.717) 2.998 20.226 ( -0.917 -11.107 -3.505) 11.683 20.766 ( 3.690 5.011 3.118) 6.961 20.874 ( 1.642 -6.334 5.104) 8.299 21.835 ( -2.651 3.465 -1.751) 4.701 21.890 ( -4.163 -2.110 -1.649) 4.951 22.210 ( -1.341 5.843 1.816) 6.264 22.290 ( -2.986 -1.961 -0.616) 3.625 24.350 ( -0.402 1.748 0.863) 1.990 24.406 ( 1.347 -3.966 1.417) 4.421 108.038 ( -0.360 1.535 0.366) 1.619 108.071 ( -0.757 -1.841 0.739) 2.123 108.967 ( -0.674 1.088 -0.525) 1.383 108.971 ( -0.782 0.801 -0.480) 1.218 109.150 ( 1.131 0.474 0.158) 1.237 109.176 ( 0.905 -2.121 -0.845) 2.456 ======================= Grid point 220 (124/148) ======================= q-point: ( 0.44 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 2.720 6.213 -0.359) 6.792 1.773 ( 2.721 -7.242 -0.556) 7.756 2.161 ( -1.506 2.087 0.235) 2.584 2.187 ( -1.098 -0.809 0.344) 1.407 2.554 ( 2.447 1.743 7.228) 7.828 2.592 ( 1.561 -1.972 6.295) 6.779 3.282 ( 7.655 8.951 -3.097) 12.178 3.433 ( 12.176 -5.860 0.843) 13.539 3.952 ( -7.633 4.424 -4.807) 10.047 4.089 ( -1.901 -8.030 -1.445) 8.377 4.588 ( 2.878 7.800 -1.308) 8.416 4.716 ( 3.070 -6.177 -0.354) 6.907 4.885 ( -7.624 4.040 -0.736) 8.660 5.022 ( -4.634 -8.587 -0.994) 9.808 5.833 ( -1.361 7.184 -0.018) 7.311 5.995 ( -1.297 -9.044 -0.123) 9.137 7.813 ( 0.984 6.717 -0.643) 6.819 7.910 ( -7.145 -2.926 -1.300) 7.830 8.307 ( 2.886 8.063 0.347) 8.571 8.461 ( 0.947 -7.503 0.431) 7.575 9.010 ( -1.684 1.451 -0.995) 2.435 9.041 ( -1.873 -1.691 -1.734) 3.062 9.624 ( -0.112 16.170 -0.839) 16.192 9.927 ( -0.183 -12.466 -0.106) 12.467 10.201 ( -1.469 3.427 0.242) 3.737 10.352 ( -3.695 -10.154 -0.657) 10.825 10.871 ( -0.077 8.737 1.286) 8.831 11.058 ( 0.459 -9.364 1.815) 9.549 11.664 ( 6.402 4.303 1.540) 7.865 11.757 ( 6.917 -5.066 3.478) 9.252 12.155 ( -1.764 9.582 1.085) 9.803 12.293 ( -0.923 -4.778 2.339) 5.400 12.641 ( 3.693 0.677 0.401) 3.776 12.685 ( 4.348 -3.294 0.047) 5.455 13.128 ( -4.901 1.797 2.941) 5.992 13.196 ( -4.067 -5.308 0.496) 6.705 13.521 ( 0.041 3.269 -2.088) 3.879 13.611 ( -0.885 -5.634 2.871) 6.385 14.737 ( -0.946 1.326 -3.337) 3.713 14.788 ( -0.309 -4.246 -4.632) 6.291 15.664 ( 1.975 6.188 1.064) 6.582 15.763 ( 1.550 -4.828 0.740) 5.125 16.573 ( 2.962 9.418 0.806) 9.905 16.626 ( 2.680 5.458 1.272) 6.212 17.431 ( 3.075 6.546 -4.281) 8.404 17.571 ( 3.337 -7.532 -0.842) 8.281 17.867 ( -0.372 6.074 0.553) 6.110 18.058 ( 1.724 -11.557 4.014) 12.355 19.288 ( -4.933 6.964 -0.639) 8.558 19.341 ( -5.771 1.687 -0.358) 6.023 20.160 ( 3.290 -2.283 -2.006) 4.479 20.218 ( -0.035 -7.852 -3.500) 8.597 20.860 ( 4.994 3.934 -0.614) 6.387 20.944 ( 4.756 -4.967 0.333) 6.885 21.779 ( -2.400 2.048 -0.543) 3.201 21.807 ( -3.355 -0.688 -0.732) 3.503 22.191 ( -0.576 4.250 2.149) 4.797 22.234 ( -2.261 0.170 1.105) 2.523 24.344 ( -0.234 3.236 1.185) 3.454 24.430 ( 0.748 -5.521 1.642) 5.808 108.033 ( -0.128 1.253 0.265) 1.287 108.060 ( -0.262 -1.538 0.537) 1.650 108.956 ( -0.352 1.001 -0.513) 1.178 108.958 ( -0.348 0.799 -0.444) 0.978 109.169 ( 0.585 0.266 0.190) 0.670 109.190 ( 0.427 -1.848 -0.785) 2.053 ======================= Grid point 221 (125/148) ======================= q-point: (-0.44 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 1.159 5.461 -2.356) 6.059 1.797 ( -1.176 -6.166 -1.673) 6.496 2.136 ( -0.095 2.099 1.071) 2.359 2.166 ( -0.624 -1.022 1.145) 1.657 2.579 ( -0.402 2.076 4.678) 5.134 2.624 ( 0.804 -2.501 4.872) 5.535 3.314 ( -4.828 12.151 -3.017) 13.419 3.562 ( -3.852 -13.562 -1.021) 14.135 3.767 ( -5.598 12.471 0.623) 13.684 4.029 ( -3.905 -13.636 0.508) 14.193 4.624 ( 0.167 11.199 -2.770) 11.538 4.784 ( 0.020 -6.086 -3.263) 6.906 4.867 ( 8.756 2.976 -0.220) 9.251 4.995 ( 3.998 -8.981 0.129) 9.831 5.841 ( 1.583 6.981 -0.297) 7.165 5.999 ( 1.275 -8.752 -0.241) 8.848 7.811 ( -1.343 5.882 -0.740) 6.078 7.890 ( 6.812 -1.907 -0.529) 7.094 8.318 ( -2.209 7.508 -0.104) 7.827 8.464 ( -1.043 -7.188 0.385) 7.274 9.013 ( 2.107 1.517 -0.850) 2.732 9.037 ( 1.491 -1.286 -1.462) 2.452 9.623 ( -0.117 16.993 -0.989) 17.022 9.948 ( 1.789 -13.185 -1.059) 13.348 10.189 ( 0.184 3.020 0.822) 3.135 10.338 ( 3.237 -9.958 -0.131) 10.472 10.898 ( 2.336 8.327 0.188) 8.650 11.073 ( 0.677 -8.499 1.125) 8.600 11.654 ( -7.512 4.930 1.834) 9.170 11.766 ( -6.515 -6.450 2.932) 9.625 12.163 ( 2.709 10.263 0.724) 10.639 12.325 ( 3.877 -5.725 1.245) 7.026 12.684 ( 0.748 0.480 -1.343) 1.610 12.733 ( -0.243 -3.581 -1.911) 4.066 13.106 ( 2.458 1.775 3.372) 4.535 13.175 ( 1.740 -5.077 1.949) 5.710 13.542 ( 2.666 6.254 -2.831) 7.364 13.675 ( 6.728 -7.346 0.944) 10.006 14.695 ( -2.678 1.738 -2.124) 3.835 14.760 ( -1.950 -5.268 -3.510) 6.624 15.670 ( -1.432 6.221 0.768) 6.430 15.768 ( -1.214 -4.622 0.518) 4.807 16.573 ( -3.172 9.119 0.665) 9.678 16.621 ( -3.342 5.891 1.380) 6.912 17.427 ( -3.402 8.638 -4.400) 10.273 17.593 ( -1.387 -9.079 -1.597) 9.322 17.826 ( -3.166 6.097 2.222) 7.220 18.024 ( -5.010 -12.312 5.593) 14.421 19.205 ( -2.988 6.695 2.464) 7.735 19.263 ( -1.501 0.920 2.616) 3.153 20.178 ( -1.610 -2.925 -2.685) 4.284 20.216 ( -0.062 -6.916 -3.349) 7.684 20.964 ( 5.146 5.209 -4.795) 8.753 21.069 ( 7.173 -5.702 -4.873) 10.379 21.737 ( -1.532 2.278 1.467) 3.113 21.772 ( 0.260 -1.164 0.995) 1.553 22.189 ( 0.087 3.008 2.442) 3.875 22.203 ( -0.703 1.722 1.955) 2.698 24.343 ( 0.047 3.713 1.188) 3.899 24.438 ( -0.090 -5.983 1.325) 6.129 108.033 ( 0.153 1.304 0.254) 1.337 108.062 ( 0.415 -1.646 0.457) 1.758 108.953 ( 0.188 1.098 -0.417) 1.190 108.957 ( 0.265 0.685 -0.404) 0.838 109.173 ( -0.210 0.119 0.099) 0.261 109.191 ( -0.335 -1.633 -0.885) 1.887 ======================= Grid point 222 (126/148) ======================= q-point: (-0.33 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 2.187 1.959 -0.860) 3.059 1.740 ( -2.963 -1.199 -0.100) 3.197 2.150 ( 0.331 1.063 1.725) 2.053 2.162 ( -0.062 -0.283 1.607) 1.632 2.549 ( -2.909 3.512 4.448) 6.371 2.625 ( -1.293 -4.009 3.620) 5.554 3.124 ( -11.039 12.057 -7.166) 17.849 3.340 ( -11.860 -9.309 -7.469) 16.826 3.679 ( -7.382 5.240 7.548) 11.786 3.876 ( -12.350 -13.896 3.530) 18.923 4.617 ( 0.366 7.359 -3.408) 8.118 4.717 ( -3.404 -3.654 -3.712) 6.222 5.159 ( 16.959 2.944 -0.987) 17.241 5.228 ( 16.778 -2.983 -0.673) 17.054 5.933 ( 7.909 5.846 0.687) 9.859 6.075 ( 6.901 -8.117 1.085) 10.709 7.824 ( 1.193 11.190 -0.713) 11.276 8.031 ( 3.262 -9.636 -1.131) 10.236 8.257 ( -1.010 7.424 -0.142) 7.494 8.402 ( -4.822 -7.058 -0.190) 8.551 9.069 ( 1.629 1.584 0.671) 2.369 9.091 ( 3.546 -0.590 -1.538) 3.910 9.637 ( 2.313 14.886 -1.537) 15.143 9.951 ( -0.851 -17.168 -0.986) 17.218 10.295 ( 10.120 9.365 -0.153) 13.789 10.462 ( 7.989 -7.892 -0.672) 11.250 10.943 ( 1.043 6.806 -0.262) 6.891 11.064 ( -2.460 -3.409 0.718) 4.265 11.432 ( -11.315 1.929 2.096) 11.668 11.545 ( -12.607 -10.288 1.932) 16.387 12.252 ( 4.816 12.189 0.324) 13.110 12.415 ( 2.968 -1.489 -0.246) 3.330 12.673 ( -3.135 -3.757 -2.907) 5.691 12.702 ( 1.399 -4.747 -4.392) 6.617 13.201 ( 5.473 0.937 3.094) 6.357 13.243 ( 3.844 -2.832 2.522) 5.400 13.640 ( 6.545 9.558 -1.810) 11.725 13.843 ( 7.857 -11.325 -0.582) 13.796 14.636 ( -2.466 1.812 1.270) 3.313 14.708 ( -2.868 -5.798 -1.391) 6.617 15.606 ( -4.643 6.245 0.238) 7.785 15.712 ( -4.189 -5.233 0.257) 6.708 16.448 ( -8.616 8.766 0.817) 12.318 16.498 ( -7.960 4.696 1.472) 9.359 17.288 ( -9.097 11.932 -3.741) 15.464 17.493 ( -8.280 -9.478 -2.855) 12.905 17.758 ( -3.467 3.137 3.772) 6.007 17.892 ( -7.089 -9.835 5.387) 13.267 19.168 ( -0.971 9.170 5.139) 10.556 19.279 ( 2.325 -1.828 4.038) 5.006 20.128 ( -2.288 -1.786 -3.433) 4.496 20.189 ( -2.086 -8.413 -1.897) 8.873 21.060 ( 4.415 8.154 -8.946) 12.885 21.215 ( 6.943 -7.812 -9.386) 14.047 21.727 ( 0.379 4.594 3.457) 5.762 21.811 ( 2.991 -3.835 2.465) 5.453 22.194 ( 0.161 3.128 3.721) 4.864 22.207 ( 0.640 1.826 1.435) 2.409 24.346 ( 0.071 3.073 0.929) 3.211 24.428 ( -0.908 -5.339 0.610) 5.450 108.040 ( 0.441 1.679 0.299) 1.762 108.077 ( 0.953 -2.170 0.466) 2.416 108.963 ( 0.749 1.191 -0.378) 1.457 108.967 ( 0.735 0.655 -0.345) 1.043 109.161 ( -0.944 -0.049 -0.001) 0.946 109.174 ( -1.131 -1.387 -1.019) 2.059 ======================= Grid point 223 (127/148) ======================= q-point: (-0.22 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( -0.024 5.479 3.165) 6.327 1.782 ( 4.325 -2.104 1.308) 4.985 2.130 ( -3.163 2.977 4.785) 6.462 2.146 ( -1.821 0.799 2.936) 3.546 2.462 ( -5.229 1.987 -0.121) 5.595 2.544 ( -7.558 -5.720 1.497) 9.596 2.932 ( -5.238 12.973 -7.812) 16.023 3.160 ( -3.850 -9.076 -10.047) 14.076 3.452 ( -13.575 -0.899 8.264) 15.918 3.532 ( -19.337 -10.382 6.641) 22.930 4.661 ( 4.144 4.001 -4.301) 7.189 4.703 ( 2.244 -0.873 -3.862) 4.551 5.523 ( 17.782 6.395 -0.735) 18.911 5.617 ( 19.133 -3.076 -0.906) 19.400 6.146 ( 11.272 6.120 1.795) 12.951 6.276 ( 10.994 -6.811 2.239) 13.125 7.818 ( -2.212 9.812 -1.877) 10.232 7.951 ( -7.889 -2.777 -1.855) 8.567 8.290 ( -4.823 -2.001 0.201) 5.225 8.338 ( 6.414 -7.846 0.085) 10.135 9.056 ( -2.872 3.020 1.207) 4.339 9.126 ( -1.078 -3.564 -0.320) 3.737 9.708 ( 3.427 12.829 -2.696) 13.550 9.963 ( 1.843 -13.066 -1.580) 13.289 10.530 ( 10.191 8.039 -0.381) 12.986 10.640 ( 7.570 -4.126 0.084) 8.621 10.869 ( -7.321 8.848 -0.224) 11.486 11.014 ( 0.406 -2.995 -0.222) 3.030 11.276 ( -3.327 -1.372 1.072) 3.755 11.358 ( -3.555 -10.669 1.369) 11.328 12.285 ( -2.931 9.615 -2.579) 10.377 12.404 ( -4.450 -0.173 -2.650) 5.182 12.634 ( 2.860 5.320 -2.630) 6.588 12.810 ( 7.373 -9.676 -2.366) 12.393 13.305 ( 2.487 -1.613 2.952) 4.183 13.316 ( 3.948 -1.437 3.603) 5.535 13.775 ( 5.790 7.496 -1.473) 9.585 13.947 ( 1.919 -10.050 -2.908) 10.637 14.607 ( -2.159 -1.626 3.745) 4.618 14.629 ( -4.174 -3.677 1.278) 5.707 15.494 ( -5.628 5.418 -0.246) 7.816 15.602 ( -6.087 -6.019 0.005) 8.561 16.241 ( -10.275 10.144 1.765) 14.547 16.332 ( -7.299 1.022 2.023) 7.643 17.084 ( -9.140 12.528 -3.013) 15.798 17.273 ( -11.517 -6.582 -2.052) 13.423 17.675 ( -5.126 1.646 2.840) 6.087 17.771 ( -4.495 -8.422 3.512) 10.172 19.172 ( 0.923 12.497 7.422) 14.564 19.348 ( 3.734 -4.604 3.247) 6.759 20.101 ( 0.214 -2.549 -2.740) 3.748 20.145 ( -1.686 -8.061 0.549) 8.254 21.121 ( 1.940 10.674 -12.903) 16.858 21.319 ( 3.407 -9.747 -12.771) 16.423 21.755 ( 1.905 6.934 4.492) 8.479 21.885 ( 3.667 -6.379 3.273) 8.053 22.203 ( 0.458 3.762 4.363) 5.779 22.227 ( 1.305 1.375 1.372) 2.340 24.345 ( -0.304 1.967 0.702) 2.111 24.405 ( -1.284 -4.133 -0.102) 4.329 108.051 ( 0.546 2.148 0.391) 2.251 108.099 ( 1.027 -2.857 0.541) 3.084 108.982 ( 1.012 1.155 -0.465) 1.604 108.984 ( 0.904 0.763 -0.336) 1.230 109.137 ( -1.293 -0.250 -0.037) 1.318 109.145 ( -1.484 -1.039 -1.028) 2.083 ======================= Grid point 224 (128/148) ======================= q-point: (-0.11 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( 1.950 9.410 5.840) 11.246 1.842 ( -0.040 -0.313 4.790) 4.801 2.004 ( -7.680 6.750 7.794) 12.857 2.115 ( -1.549 -1.378 4.328) 4.799 2.345 ( -8.738 -3.232 -5.073) 10.608 2.389 ( -1.031 -5.682 -7.717) 9.639 2.867 ( -3.904 13.094 3.979) 14.231 3.120 ( -1.315 0.701 -7.466) 7.613 3.162 ( -15.373 -10.763 8.592) 20.639 3.273 ( 0.457 -9.634 0.060) 9.645 4.752 ( 3.964 2.219 -4.825) 6.627 4.766 ( 3.000 0.322 -3.767) 4.826 5.869 ( 14.328 8.385 -0.118) 16.601 5.968 ( 13.457 -2.144 -0.218) 13.628 6.349 ( 7.074 6.925 1.915) 10.082 6.467 ( 5.975 -4.830 2.122) 7.971 7.733 ( -4.758 1.805 -1.936) 5.445 7.783 ( -7.163 -3.580 -1.287) 8.110 8.243 ( 0.352 8.105 0.114) 8.114 8.476 ( 6.488 -14.939 -0.400) 16.292 8.972 ( -4.467 1.591 0.990) 4.844 9.050 ( -5.358 -5.708 0.843) 7.874 9.738 ( -0.331 12.175 -3.132) 12.576 9.966 ( -1.927 -11.002 -1.909) 11.332 10.586 ( -3.424 6.542 0.173) 7.386 10.717 ( 1.703 -6.434 0.343) 6.665 10.852 ( 4.815 14.967 -0.425) 15.728 11.108 ( 5.936 -9.400 -0.127) 11.118 11.290 ( 3.224 1.707 -0.699) 3.715 11.386 ( 5.538 -6.114 0.447) 8.261 12.175 ( -6.410 5.840 -4.657) 9.842 12.241 ( -8.995 -0.672 -2.677) 9.409 12.757 ( 6.361 9.132 0.407) 11.137 12.927 ( 2.880 -6.213 -0.407) 6.860 13.311 ( -0.977 1.895 3.617) 4.198 13.409 ( 4.104 -6.899 5.306) 9.623 13.860 ( 2.297 3.380 -1.937) 4.522 13.946 ( -1.055 -5.410 -3.665) 6.619 14.457 ( -8.476 3.655 0.532) 9.246 14.591 ( -2.683 -11.094 4.337) 12.210 15.389 ( -4.397 3.649 -0.068) 5.714 15.479 ( -5.227 -5.914 0.194) 7.895 16.085 ( -3.747 12.288 1.932) 12.991 16.232 ( -1.983 -3.190 2.521) 4.524 16.938 ( -4.404 9.838 -2.459) 11.056 17.061 ( -7.730 -2.543 -1.380) 8.254 17.568 ( -4.527 4.585 1.381) 6.590 17.708 ( -2.003 -10.044 2.167) 10.468 19.219 ( 2.996 14.401 8.248) 16.864 19.434 ( 4.328 -5.947 0.659) 7.385 20.117 ( 0.140 -4.170 -0.831) 4.254 20.142 ( 2.345 -6.162 1.807) 6.836 21.103 ( -3.051 11.678 -13.814) 18.344 21.316 ( -2.985 -10.310 -12.041) 16.131 21.809 ( 2.927 7.845 3.168) 8.952 21.957 ( 2.778 -7.207 2.841) 8.230 22.220 ( 0.800 4.722 3.986) 6.231 22.267 ( 2.528 -0.121 0.668) 2.618 24.335 ( -0.598 1.386 0.643) 1.641 24.380 ( -0.915 -3.242 -0.379) 3.390 108.061 ( 0.303 2.460 0.542) 2.537 108.116 ( 0.475 -3.319 0.727) 3.431 108.999 ( 0.567 1.088 -0.370) 1.281 109.002 ( 0.757 0.846 -0.670) 1.318 109.111 ( -1.028 -0.260 -0.087) 1.064 109.119 ( -0.788 -0.869 -0.892) 1.474 ======================= Grid point 252 (129/148) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( -0.000 0.000 0.000) 0.000 1.496 ( 0.000 0.000 0.000) 0.000 1.936 ( 0.000 0.000 0.000) 0.000 2.073 ( 0.000 0.000 0.000) 0.000 2.531 ( 0.000 0.000 0.000) 0.000 2.534 ( 0.000 0.000 0.000) 0.000 2.870 ( 0.000 0.000 0.000) 0.000 2.911 ( -0.000 0.000 0.000) 0.000 3.522 ( -0.000 0.000 0.000) 0.000 3.893 ( 0.000 0.000 -0.000) 0.000 4.385 ( 0.000 0.000 0.000) 0.000 4.722 ( -0.000 0.000 0.000) 0.000 5.381 ( 0.000 0.000 0.000) 0.000 6.039 ( -0.000 0.000 0.000) 0.000 6.135 ( 0.000 0.000 0.000) 0.000 6.547 ( 0.000 0.000 0.000) 0.000 7.668 ( -0.000 0.000 0.000) 0.000 7.980 ( -0.000 0.000 0.000) 0.000 8.528 ( 0.000 0.000 0.000) 0.000 9.017 ( 0.000 0.000 0.000) 0.000 9.294 ( 0.000 0.000 0.000) 0.000 9.301 ( 0.000 0.000 0.000) 0.000 9.366 ( -0.000 0.000 0.000) 0.000 9.723 ( 0.000 0.000 0.000) 0.000 10.469 ( 0.000 0.000 0.000) 0.000 10.612 ( -0.000 0.000 0.000) 0.000 10.787 ( -0.000 0.000 0.000) 0.000 11.262 ( 0.000 0.000 0.000) 0.000 11.335 ( 0.000 0.000 0.000) 0.000 11.681 ( 0.000 0.000 0.000) 0.000 11.773 ( -0.000 0.000 0.000) 0.000 12.444 ( -0.000 0.000 0.000) 0.000 12.457 ( -0.000 0.000 0.000) 0.000 12.713 ( 0.000 0.000 0.000) 0.000 13.260 ( -0.000 0.000 0.000) 0.000 13.738 ( 0.000 0.000 0.000) 0.000 13.840 ( 0.000 0.000 0.000) 0.000 14.262 ( 0.000 0.000 0.000) 0.000 14.391 ( -0.000 0.000 0.000) 0.000 14.545 ( -0.000 0.000 0.000) 0.000 15.556 ( -0.000 0.000 0.000) 0.000 15.788 ( -0.000 0.000 0.000) 0.000 15.861 ( 0.000 0.000 0.000) 0.000 16.239 ( 0.000 0.000 0.000) 0.000 16.525 ( -0.000 0.000 0.000) 0.000 16.532 ( 0.000 0.000 0.000) 0.000 17.333 ( 0.000 0.000 0.000) 0.000 18.588 ( 0.000 0.000 0.000) 0.000 18.589 ( -0.000 0.000 0.000) 0.000 19.101 ( 0.000 0.000 0.000) 0.000 20.379 ( -0.000 0.000 0.000) 0.000 20.470 ( -0.000 0.000 0.000) 0.000 20.804 ( 0.000 0.000 0.000) 0.000 21.611 ( 0.000 0.000 0.000) 0.000 21.677 ( 0.000 0.000 -0.000) 0.000 21.878 ( -0.000 0.000 0.000) 0.000 22.056 ( 0.000 0.000 0.000) 0.000 22.248 ( -0.000 0.000 0.000) 0.000 24.370 ( 0.000 0.000 0.000) 0.000 24.485 ( -0.000 0.000 0.000) 0.000 107.997 ( -0.000 0.000 0.000) 0.000 108.287 ( -0.000 0.000 0.000) 0.000 108.895 ( 0.000 0.000 0.000) 0.000 108.937 ( 0.000 0.000 0.000) 0.000 109.132 ( 0.000 0.000 0.000) 0.000 109.158 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 254 (130/148) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( 11.752 0.000 -1.142) 11.808 1.628 ( 9.110 0.000 7.831) 12.013 1.900 ( -1.933 0.000 -7.179) 7.435 2.079 ( 0.873 0.000 -3.084) 3.205 2.568 ( 3.097 0.000 2.943) 4.272 2.568 ( 2.152 0.000 0.492) 2.207 2.743 ( -3.839 0.000 -1.746) 4.218 3.195 ( 18.313 0.000 -4.766) 18.923 3.556 ( 3.509 0.000 18.988) 19.310 3.971 ( 7.948 0.000 -8.670) 11.762 4.250 ( -11.825 0.000 -0.444) 11.833 4.709 ( -1.644 0.000 -0.295) 1.670 5.331 ( -4.238 0.000 0.060) 4.239 5.968 ( -7.433 0.000 0.385) 7.443 6.096 ( -3.356 0.000 -0.399) 3.380 6.497 ( -4.466 0.000 -0.857) 4.548 7.637 ( -3.007 0.000 -0.312) 3.023 7.968 ( -1.000 0.000 0.488) 1.112 8.506 ( -0.999 0.000 -0.515) 1.123 8.869 ( -11.503 0.000 -2.861) 11.853 9.257 ( -4.800 0.000 1.705) 5.094 9.310 ( -4.204 0.000 -0.650) 4.254 9.332 ( 1.938 0.000 -0.108) 1.941 9.824 ( 6.493 0.000 1.296) 6.621 10.522 ( 5.442 0.000 -0.599) 5.475 10.668 ( -7.322 0.000 -0.395) 7.332 10.684 ( 6.212 0.000 1.161) 6.320 11.265 ( -4.448 0.000 -0.698) 4.502 11.352 ( 1.690 0.000 -1.456) 2.231 11.511 ( -5.859 0.000 0.429) 5.875 11.995 ( 13.536 0.000 3.704) 14.034 12.174 ( -12.860 0.000 1.544) 12.953 12.451 ( 0.744 0.000 0.709) 1.028 12.995 ( 11.398 0.000 -0.367) 11.404 13.213 ( -4.540 0.000 0.170) 4.543 13.749 ( -7.395 0.000 0.020) 7.395 13.861 ( 5.663 0.000 5.577) 7.948 14.368 ( 5.101 0.000 1.674) 5.369 14.402 ( 10.259 0.000 1.108) 10.318 14.628 ( 6.670 0.000 0.656) 6.702 15.574 ( 2.179 0.000 -0.525) 2.241 15.718 ( -5.856 0.000 0.393) 5.870 15.886 ( -6.963 0.000 -1.366) 7.096 16.098 ( -1.460 0.000 -9.038) 9.155 16.318 ( -7.058 0.000 -0.138) 7.059 16.878 ( 19.301 0.000 0.323) 19.303 17.481 ( 11.701 0.000 1.681) 11.821 18.571 ( -1.246 0.000 -0.879) 1.525 18.597 ( 1.200 0.000 -3.406) 3.611 19.145 ( 3.610 0.000 0.227) 3.617 20.381 ( 0.414 0.000 5.659) 5.674 20.418 ( -4.014 0.000 -1.602) 4.322 20.821 ( 0.876 0.000 3.242) 3.358 21.588 ( -2.414 0.000 6.277) 6.725 21.668 ( -0.941 0.000 1.109) 1.454 21.858 ( -1.782 0.000 -1.318) 2.217 22.061 ( 0.570 0.000 -9.964) 9.980 22.228 ( -1.902 0.000 -0.533) 1.975 24.394 ( 1.576 0.000 -1.514) 2.185 24.491 ( 1.057 0.000 2.461) 2.678 107.995 ( -0.153 0.000 0.156) 0.218 108.269 ( -1.739 0.000 1.290) 2.165 108.892 ( -0.273 0.000 -0.452) 0.528 108.932 ( -0.472 0.000 0.211) 0.517 109.133 ( 0.606 0.000 0.904) 1.089 109.181 ( 1.649 0.000 -1.829) 2.462 ======================= Grid point 255 (131/148) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 17.232 0.000 -1.592) 17.305 1.686 ( -4.549 0.000 9.154) 10.222 1.955 ( 7.040 0.000 -6.101) 9.316 2.109 ( 2.170 0.000 -4.078) 4.619 2.588 ( 0.089 0.000 -1.020) 1.024 2.645 ( 3.640 0.000 3.817) 5.274 2.719 ( 0.880 0.000 0.484) 1.004 3.517 ( 10.688 0.000 -4.831) 11.729 3.786 ( 17.043 0.000 14.868) 22.617 3.957 ( -14.823 0.000 -0.442) 14.829 4.224 ( 17.459 0.000 -4.753) 18.094 4.650 ( -3.642 0.000 -0.962) 3.767 5.224 ( -6.068 0.000 0.039) 6.068 5.725 ( -15.138 0.000 0.978) 15.169 6.012 ( -4.312 0.000 -0.381) 4.329 6.386 ( -5.238 0.000 -1.072) 5.347 7.545 ( -5.449 0.000 -0.664) 5.490 7.948 ( -0.896 0.000 0.787) 1.192 8.518 ( 2.289 0.000 -0.907) 2.462 8.602 ( -13.969 0.000 -2.807) 14.248 9.099 ( -9.584 0.000 -1.162) 9.654 9.207 ( -5.169 0.000 0.899) 5.246 9.345 ( -0.963 0.000 0.190) 0.982 9.898 ( 0.537 0.000 -0.223) 0.581 10.638 ( 4.942 0.000 1.423) 5.143 10.684 ( 9.360 0.000 -0.533) 9.375 10.843 ( 8.578 0.000 0.843) 8.619 10.970 ( -18.844 0.000 0.914) 18.866 11.399 ( 2.956 0.000 -2.015) 3.578 11.540 ( 2.877 0.000 0.159) 2.881 12.047 ( 2.197 0.000 0.348) 2.224 12.268 ( 10.556 0.000 8.512) 13.560 12.479 ( 1.922 0.000 1.040) 2.185 13.074 ( -8.581 0.000 0.261) 8.585 13.087 ( -1.249 0.000 0.032) 1.249 13.587 ( -7.332 0.000 -0.059) 7.333 13.837 ( -5.578 0.000 1.376) 5.745 14.443 ( 4.097 0.000 3.718) 5.533 14.771 ( 6.260 0.000 1.084) 6.354 14.792 ( 15.077 0.000 8.405) 17.261 15.488 ( -14.369 0.000 -8.946) 16.926 15.590 ( -5.699 0.000 0.589) 5.730 15.743 ( 8.498 0.000 -6.912) 10.954 16.207 ( -4.096 0.000 0.135) 4.098 16.278 ( 12.342 0.000 -4.269) 13.060 17.292 ( 19.582 0.000 0.788) 19.597 17.732 ( 11.088 0.000 1.966) 11.261 18.556 ( 0.267 0.000 -1.048) 1.081 18.649 ( 4.364 0.000 -5.016) 6.649 19.211 ( 1.786 0.000 -1.588) 2.390 20.345 ( -1.949 0.000 -0.536) 2.021 20.426 ( 3.644 0.000 6.693) 7.620 20.820 ( -1.680 0.000 4.419) 4.728 21.526 ( -3.917 0.000 8.045) 8.948 21.642 ( -1.637 0.000 2.365) 2.876 21.809 ( -2.528 0.000 -2.839) 3.801 22.051 ( -0.851 0.000 -11.454) 11.486 22.169 ( -3.718 0.000 -1.030) 3.858 24.394 ( -1.385 0.000 -2.201) 2.601 24.556 ( 4.415 0.000 3.309) 5.518 107.993 ( 0.007 0.000 0.155) 0.155 108.222 ( -2.658 0.000 1.314) 2.965 108.884 ( -0.387 0.000 -0.745) 0.839 108.919 ( -0.763 0.000 0.378) 0.851 109.161 ( 1.774 0.000 1.400) 2.259 109.211 ( 1.331 0.000 -2.115) 2.499 ======================= Grid point 256 (132/148) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( -5.885 0.000 4.524) 7.424 1.676 ( 15.914 0.000 -1.396) 15.976 2.065 ( 3.248 0.000 -0.525) 3.290 2.148 ( 1.322 0.000 -3.279) 3.535 2.598 ( 1.135 0.000 -1.836) 2.158 2.715 ( 2.921 0.000 2.936) 4.142 2.743 ( 0.960 0.000 1.276) 1.597 3.688 ( -10.095 0.000 -0.442) 10.105 3.721 ( 10.223 0.000 4.944) 11.356 4.078 ( 8.131 0.000 -2.587) 8.533 4.576 ( -2.909 0.000 -0.908) 3.047 4.671 ( 23.277 0.000 1.028) 23.300 5.057 ( -10.604 0.000 0.072) 10.604 5.423 ( -11.594 0.000 1.023) 11.639 5.929 ( -3.398 0.000 -0.043) 3.398 6.311 ( -1.650 0.000 -0.535) 1.734 7.445 ( -2.939 0.000 -0.222) 2.948 7.933 ( -0.626 0.000 0.732) 0.963 8.254 ( -19.487 0.000 -2.436) 19.639 8.583 ( 3.488 0.000 -0.855) 3.591 8.924 ( -5.402 0.000 -2.983) 6.171 9.124 ( -2.809 0.000 1.701) 3.284 9.303 ( -2.590 0.000 0.388) 2.619 9.893 ( -0.376 0.000 -0.769) 0.856 10.554 ( -16.894 0.000 2.484) 17.076 10.830 ( 8.015 0.000 0.830) 8.058 10.868 ( 7.748 0.000 0.028) 7.748 11.014 ( 6.594 0.000 -0.148) 6.595 11.478 ( 5.107 0.000 -1.677) 5.375 11.585 ( 3.265 0.000 -1.741) 3.700 12.198 ( 8.190 0.000 2.066) 8.447 12.423 ( 4.250 0.000 12.063) 12.790 12.530 ( 2.645 0.000 0.864) 2.783 12.875 ( -9.982 0.000 0.326) 9.988 12.999 ( -6.231 0.000 -3.391) 7.094 13.460 ( -4.819 0.000 -0.094) 4.820 13.750 ( -0.667 0.000 -0.362) 0.759 14.454 ( -6.879 0.000 4.846) 8.415 14.817 ( -5.905 0.000 -1.041) 5.996 14.871 ( 3.201 0.000 0.907) 3.327 15.405 ( 4.923 0.000 -4.529) 6.690 15.501 ( -2.817 0.000 0.657) 2.893 15.993 ( 12.701 0.000 -2.586) 12.961 16.139 ( -2.577 0.000 0.214) 2.585 16.513 ( 9.722 0.000 -3.762) 10.424 17.654 ( 14.369 0.000 1.426) 14.439 17.920 ( 6.676 0.000 1.543) 6.852 18.582 ( 1.968 0.000 -0.749) 2.106 18.767 ( 6.978 0.000 -4.560) 8.335 19.194 ( -3.169 0.000 -3.463) 4.694 20.361 ( 3.470 0.000 0.864) 3.575 20.536 ( 6.022 0.000 4.388) 7.451 20.752 ( -5.088 0.000 4.144) 6.562 21.447 ( -4.065 0.000 6.143) 7.366 21.605 ( -2.005 0.000 2.700) 3.363 21.761 ( -1.686 0.000 -3.286) 3.693 22.015 ( -1.532 0.000 -7.454) 7.610 22.081 ( -4.228 0.000 -1.045) 4.355 24.352 ( -2.072 0.000 -1.455) 2.532 24.649 ( 3.909 0.000 2.125) 4.449 107.995 ( 0.209 0.000 0.075) 0.222 108.170 ( -2.284 0.000 0.743) 2.401 108.876 ( -0.281 0.000 -0.769) 0.819 108.903 ( -0.738 0.000 0.448) 0.863 109.200 ( 1.668 0.000 1.805) 2.458 109.231 ( 0.730 0.000 -1.996) 2.126 ======================= Grid point 257 (133/148) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( -2.496 0.000 1.584) 2.956 1.934 ( 7.892 0.000 -0.552) 7.912 2.101 ( 0.615 0.000 0.237) 0.659 2.142 ( -1.512 0.000 -1.210) 1.936 2.622 ( 0.844 0.000 -0.887) 1.225 2.757 ( 0.283 0.000 0.617) 0.679 2.771 ( 1.862 0.000 0.992) 2.109 3.552 ( -3.110 0.000 -0.220) 3.117 3.944 ( 10.082 0.000 6.701) 12.105 4.111 ( -4.002 0.000 -6.108) 7.303 4.542 ( -0.352 0.000 -0.263) 0.439 4.836 ( -7.730 0.000 0.099) 7.730 5.059 ( 11.159 0.000 0.456) 11.169 5.280 ( -2.981 0.000 0.337) 3.000 5.880 ( -1.220 0.000 0.069) 1.222 6.302 ( 0.152 0.000 -0.049) 0.160 7.464 ( 4.540 0.000 0.617) 4.582 7.855 ( -15.533 0.000 -1.631) 15.618 7.924 ( -0.247 0.000 0.297) 0.386 8.640 ( 1.623 0.000 -0.355) 1.661 8.877 ( 0.037 0.000 -1.727) 1.727 9.086 ( -1.117 0.000 1.065) 1.543 9.258 ( -1.360 0.000 0.205) 1.375 9.880 ( -0.796 0.000 -0.357) 0.872 10.290 ( -7.012 0.000 1.045) 7.089 10.953 ( 2.944 0.000 0.373) 2.968 10.997 ( 4.444 0.000 0.093) 4.445 11.079 ( -0.031 0.000 -0.194) 0.197 11.592 ( 4.290 0.000 -0.729) 4.351 11.696 ( 5.840 0.000 -2.145) 6.222 12.221 ( -4.247 0.000 4.195) 5.969 12.574 ( 1.107 0.000 0.323) 1.153 12.590 ( 11.111 0.000 8.125) 13.765 12.704 ( -5.032 0.000 0.227) 5.037 12.828 ( -9.899 0.000 -6.394) 11.785 13.391 ( -1.746 0.000 -0.050) 1.747 13.856 ( 10.452 0.000 0.038) 10.452 14.173 ( -16.036 0.000 0.289) 16.039 14.778 ( 0.313 0.000 -0.923) 0.975 14.910 ( 0.750 0.000 0.320) 0.815 15.469 ( -0.617 0.000 0.320) 0.695 15.497 ( 2.666 0.000 -0.484) 2.710 16.102 ( -0.915 0.000 0.096) 0.920 16.183 ( 4.891 0.000 -0.430) 4.910 16.651 ( 3.453 0.000 -1.661) 3.832 17.865 ( 5.338 0.000 0.855) 5.406 18.012 ( 2.211 0.000 0.554) 2.280 18.617 ( 1.047 0.000 -0.254) 1.077 18.904 ( 5.409 0.000 -1.661) 5.659 19.102 ( -4.294 0.000 -2.158) 4.805 20.474 ( 6.777 0.000 0.011) 6.777 20.625 ( -7.103 0.000 2.366) 7.487 20.648 ( 3.484 0.000 1.397) 3.753 21.380 ( -2.198 0.000 2.217) 3.122 21.572 ( -1.022 0.000 1.101) 1.502 21.737 ( -0.461 0.000 -1.380) 1.455 21.986 ( -0.709 0.000 -2.448) 2.548 22.012 ( -1.898 0.000 -0.354) 1.931 24.318 ( -0.942 0.000 -0.530) 1.081 24.708 ( 1.483 0.000 0.722) 1.649 108.000 ( 0.151 0.000 0.018) 0.153 108.136 ( -0.912 0.000 0.221) 0.938 108.872 ( -0.074 0.000 -0.382) 0.389 108.892 ( -0.330 0.000 0.256) 0.418 109.228 ( 0.811 0.000 1.824) 1.997 109.238 ( 0.062 0.000 -1.824) 1.825 ======================= Grid point 262 (134/148) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( -0.000 23.083 0.000) 23.083 1.555 ( 0.000 6.030 0.000) 6.030 1.939 ( 0.000 0.276 0.000) 0.276 2.045 ( -0.000 -2.745 -0.000) 2.745 2.489 ( 0.000 -4.274 -0.000) 4.274 2.505 ( -0.000 -3.046 0.000) 3.046 2.900 ( 0.000 2.959 -0.000) 2.959 2.900 ( -0.000 -1.055 0.000) 1.055 3.415 ( -0.000 -9.207 0.000) 9.207 3.755 ( 0.000 -12.332 -0.000) 12.332 4.490 ( 0.000 8.822 0.000) 8.822 4.746 ( -0.000 1.499 0.000) 1.499 5.515 ( 0.000 12.794 0.000) 12.794 6.051 ( -0.000 1.309 0.000) 1.309 6.180 ( 0.000 4.596 0.000) 4.596 6.555 ( 0.000 0.713 0.000) 0.713 7.698 ( -0.000 2.832 0.000) 2.832 7.930 ( -0.000 -4.972 0.000) 4.972 8.355 ( -0.000 -14.158 0.000) 14.158 9.008 ( 0.000 -2.828 0.000) 2.828 9.192 ( 0.000 -9.155 0.000) 9.155 9.259 ( 0.000 -4.251 0.000) 4.251 9.379 ( 0.000 1.741 0.000) 1.741 9.882 ( 0.000 13.084 0.000) 13.084 10.422 ( 0.000 -2.241 0.000) 2.241 10.574 ( -0.000 -2.456 0.000) 2.456 10.909 ( -0.000 9.869 0.000) 9.869 11.187 ( 0.000 -8.013 0.000) 8.013 11.382 ( 0.000 3.579 0.000) 3.579 11.667 ( 0.000 -1.850 0.000) 1.850 11.776 ( -0.000 1.112 0.000) 1.112 12.228 ( 0.000 -8.284 0.000) 8.284 12.674 ( -0.000 10.120 0.000) 10.120 12.720 ( 0.000 0.835 0.000) 0.835 13.308 ( -0.000 3.304 0.000) 3.304 13.724 ( 0.000 -1.541 0.000) 1.541 13.843 ( 0.000 0.297 0.000) 0.297 14.060 ( 0.000 -13.202 0.000) 13.202 14.324 ( -0.000 -0.905 0.000) 0.905 14.915 ( -0.000 22.798 0.000) 22.798 15.537 ( 0.000 -23.366 -0.000) 23.366 15.590 ( -0.000 4.681 0.000) 4.681 15.742 ( 0.000 -10.291 0.000) 10.291 16.236 ( 0.000 3.086 0.000) 3.086 16.580 ( 0.000 4.843 0.000) 4.843 16.721 ( 0.000 12.874 0.000) 12.874 17.353 ( 0.000 2.157 0.000) 2.157 18.255 ( 0.000 -16.804 0.000) 16.804 18.906 ( 0.000 15.252 0.000) 15.252 19.165 ( 0.000 6.418 0.000) 6.418 20.405 ( -0.000 -6.429 0.000) 6.429 20.443 ( -0.000 6.167 0.000) 6.167 20.723 ( 0.000 -7.926 0.000) 7.926 21.507 ( -0.000 -8.491 0.000) 8.491 21.680 ( 0.000 1.285 0.000) 1.285 21.984 ( -0.000 8.394 0.000) 8.394 22.130 ( 0.000 6.301 0.000) 6.301 22.221 ( -0.000 -2.781 0.000) 2.781 24.360 ( 0.000 -0.919 0.000) 0.919 24.465 ( 0.000 -1.988 0.000) 1.988 108.004 ( -0.000 0.798 0.000) 0.798 108.260 ( -0.000 -2.639 0.000) 2.639 108.916 ( 0.000 1.990 0.000) 1.990 108.949 ( 0.000 1.147 0.000) 1.147 109.127 ( 0.000 -0.530 0.000) 0.530 109.150 ( -0.000 -0.811 0.000) 0.811 ======================= Grid point 264 (135/148) ======================= q-point: ( 0.11 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 6.973 17.767 -0.317) 19.089 1.683 ( 8.429 5.798 7.205) 12.513 1.903 ( -1.246 0.506 -7.855) 7.970 2.076 ( 2.165 -0.381 -1.726) 2.795 2.493 ( 0.852 -5.322 4.308) 6.900 2.578 ( 5.287 -1.428 -1.282) 5.624 2.742 ( -4.809 -0.026 0.381) 4.824 3.188 ( 16.575 -0.856 -7.932) 18.395 3.434 ( 2.632 -10.053 19.728) 22.298 3.833 ( 7.513 -11.245 -10.625) 17.199 4.396 ( -7.910 11.074 1.513) 13.692 4.725 ( -2.088 0.922 -0.351) 2.309 5.432 ( -6.936 9.738 0.261) 11.958 5.965 ( -8.916 -0.121 0.323) 8.923 6.134 ( -4.094 3.873 -0.427) 5.651 6.518 ( -3.487 1.797 -0.616) 3.971 7.653 ( -4.012 1.480 -0.144) 4.279 7.929 ( 0.061 -3.684 0.451) 3.712 8.368 ( 1.940 -10.732 -0.736) 10.931 8.886 ( -10.218 -1.285 -1.077) 10.355 9.172 ( -1.100 -8.456 -0.092) 8.528 9.265 ( -4.434 -2.659 -1.541) 5.394 9.363 ( 2.039 2.913 1.667) 3.927 9.961 ( 4.699 11.916 0.472) 12.817 10.487 ( 5.560 -2.643 -0.983) 6.235 10.580 ( -0.792 -3.831 1.643) 4.243 10.776 ( -4.342 4.447 -0.774) 6.263 11.220 ( -2.383 -3.501 -0.770) 4.304 11.430 ( -3.600 4.885 -0.213) 6.072 11.486 ( -0.949 -2.246 0.040) 2.438 11.944 ( 9.794 -4.181 5.778) 12.116 12.176 ( -4.306 1.505 -1.532) 4.811 12.496 ( -3.791 3.909 1.727) 5.713 12.956 ( 7.077 -2.050 0.325) 7.375 13.291 ( -1.510 5.474 -0.248) 5.684 13.713 ( -6.315 -4.473 1.248) 7.839 13.834 ( 1.367 -2.067 2.939) 3.845 14.128 ( 5.180 -12.367 2.904) 13.719 14.398 ( 10.029 -0.216 1.026) 10.084 14.976 ( 5.078 21.437 2.421) 22.163 15.417 ( -8.666 -19.360 -0.828) 21.227 15.657 ( 4.176 3.248 -4.817) 7.155 15.786 ( 3.213 -8.486 -0.086) 9.074 16.183 ( -4.603 6.434 -6.000) 9.929 16.460 ( -3.602 11.298 0.550) 11.871 16.945 ( 15.931 5.834 -0.418) 16.971 17.487 ( 10.777 0.709 1.376) 10.887 18.267 ( 1.246 -16.261 -0.616) 16.320 18.881 ( -1.479 14.572 -6.124) 15.876 19.205 ( 3.072 5.753 1.395) 6.669 20.353 ( -4.085 -5.861 -0.630) 7.172 20.442 ( 0.082 5.274 5.638) 7.721 20.743 ( 1.310 -7.590 1.376) 7.824 21.478 ( -2.897 -8.415 6.786) 11.192 21.682 ( 0.174 1.431 -1.589) 2.146 21.956 ( -2.625 7.940 1.752) 8.544 22.135 ( 0.442 6.242 -8.860) 10.847 22.204 ( -1.624 -2.460 -0.722) 3.035 24.382 ( 1.441 -1.149 -1.482) 2.365 24.471 ( 0.944 -2.049 2.284) 3.210 108.002 ( -0.180 0.770 0.129) 0.801 108.244 ( -1.520 -2.434 1.034) 3.050 108.912 ( -0.370 1.913 -0.259) 1.965 108.943 ( -0.484 1.133 0.148) 1.241 109.129 ( 0.613 -0.470 0.884) 1.174 109.171 ( 1.541 -0.977 -1.671) 2.474 ======================= Grid point 265 (136/148) ======================= q-point: ( 0.22 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 12.395 8.701 0.254) 15.146 1.721 ( -4.369 3.487 6.276) 8.405 1.979 ( 6.942 2.732 -4.537) 8.732 2.126 ( 2.782 1.704 -3.820) 5.023 2.526 ( 2.174 -4.882 1.767) 5.629 2.649 ( 0.780 -0.082 2.858) 2.963 2.725 ( 3.073 -0.098 -0.886) 3.200 3.404 ( 5.384 -10.739 2.076) 12.191 3.689 ( 16.195 -3.962 1.235) 16.718 4.013 ( 8.168 -4.750 2.471) 9.767 4.269 ( 0.591 9.329 -2.773) 9.750 4.672 ( -2.137 1.175 -0.483) 2.486 5.270 ( -8.130 4.507 0.297) 9.301 5.682 ( -17.363 -3.356 0.832) 17.704 6.026 ( -5.881 1.474 -0.421) 6.077 6.415 ( -5.899 1.765 -0.790) 6.207 7.556 ( -4.619 1.580 -0.223) 4.887 7.938 ( 0.800 -0.692 0.677) 1.256 8.444 ( 4.581 -4.882 -1.136) 6.791 8.631 ( -13.713 -0.778 -1.187) 13.786 9.105 ( -7.341 0.389 -3.079) 7.970 9.160 ( -2.333 -2.949 1.344) 3.994 9.376 ( -2.073 2.770 0.699) 3.529 9.999 ( -0.928 9.655 -0.402) 9.707 10.503 ( 0.676 -10.443 1.695) 10.602 10.706 ( 9.996 1.357 -1.051) 10.143 10.819 ( 3.061 -3.137 0.405) 4.402 10.987 ( -12.701 1.069 0.756) 12.768 11.380 ( 2.072 -1.874 0.331) 2.813 11.619 ( 6.296 6.485 -1.305) 9.132 12.114 ( 2.547 4.003 3.148) 5.694 12.125 ( 4.406 -8.472 3.584) 10.200 12.520 ( 4.581 1.977 3.181) 5.917 12.964 ( -4.760 -4.726 1.175) 6.809 13.233 ( -4.624 7.822 -0.301) 9.091 13.562 ( -7.014 -3.163 0.396) 7.704 13.762 ( -6.826 -6.524 -0.091) 9.443 14.243 ( 4.526 -12.728 5.380) 14.541 14.702 ( 13.691 -3.098 5.498) 15.076 15.043 ( -3.180 6.639 2.644) 7.821 15.231 ( -4.918 -6.779 -6.195) 10.417 15.773 ( 5.231 4.108 -0.878) 6.708 15.837 ( 5.382 8.129 -5.925) 11.408 16.102 ( -1.937 1.677 -2.970) 3.922 16.511 ( 7.447 14.844 -2.250) 16.759 17.309 ( 17.854 1.307 0.763) 17.918 17.722 ( 10.453 -0.907 1.333) 10.576 18.314 ( 3.616 -14.957 -1.260) 15.440 18.863 ( 0.687 12.657 -6.761) 14.366 19.258 ( 1.234 4.451 -0.975) 4.721 20.278 ( -2.187 -5.849 0.243) 6.249 20.472 ( 2.543 3.230 6.178) 7.421 20.756 ( -0.594 -5.960 2.835) 6.626 21.406 ( -4.393 -8.439 8.905) 13.031 21.682 ( -0.034 1.939 -1.330) 2.351 21.886 ( -3.981 6.911 0.777) 8.013 22.120 ( -1.183 5.734 -9.863) 11.470 22.155 ( -2.876 -0.981 -1.160) 3.253 24.382 ( -1.238 -1.094 -2.024) 2.613 24.529 ( 4.036 -2.645 3.001) 5.682 107.999 ( -0.061 0.662 0.125) 0.676 108.203 ( -2.347 -1.911 1.085) 3.215 108.901 ( -0.522 1.710 -0.539) 1.867 108.930 ( -0.773 1.104 0.278) 1.376 109.156 ( 1.699 -0.551 1.331) 2.227 109.200 ( 1.296 -1.111 -1.907) 2.560 ======================= Grid point 266 (137/148) ======================= q-point: ( 0.33 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( -3.525 0.562 5.223) 6.326 1.735 ( 10.964 4.421 -2.515) 12.086 2.076 ( 2.322 1.399 0.096) 2.712 2.165 ( 0.853 1.469 -2.867) 3.333 2.580 ( 2.402 -1.263 -1.756) 3.232 2.687 ( 2.923 -1.487 5.340) 6.267 2.787 ( 2.781 3.140 -1.198) 4.362 3.514 ( 4.203 -9.319 4.149) 11.033 3.836 ( 2.078 2.832 -3.351) 4.855 4.155 ( 5.075 7.176 2.509) 9.141 4.433 ( 5.772 -9.165 -2.478) 11.111 4.739 ( 11.894 2.222 0.304) 12.104 5.097 ( -8.594 3.541 0.274) 9.299 5.325 ( -14.416 -8.092 0.936) 16.559 5.906 ( -5.228 -2.054 0.038) 5.617 6.308 ( -3.591 -1.277 -0.544) 3.850 7.487 ( -1.378 4.521 -0.049) 4.727 7.965 ( 1.584 3.379 0.767) 3.809 8.264 ( -18.904 0.068 -1.640) 18.975 8.567 ( 4.361 -1.729 -0.827) 4.764 8.959 ( -5.199 3.729 -2.972) 7.055 9.113 ( -2.386 -1.333 1.358) 3.052 9.314 ( -2.887 1.718 0.288) 3.372 9.959 ( -2.415 6.479 -0.706) 6.950 10.500 ( -8.782 -7.440 2.397) 11.757 10.667 ( 1.164 -7.860 0.596) 7.968 10.929 ( 4.230 -2.058 0.755) 4.765 11.005 ( 8.481 2.133 -1.105) 8.815 11.479 ( 7.233 -0.274 -0.849) 7.287 11.694 ( 1.864 10.035 -1.979) 10.396 12.190 ( -0.370 -12.891 7.071) 14.707 12.242 ( 9.732 0.735 1.337) 9.851 12.626 ( 3.968 3.472 5.527) 7.639 12.833 ( -6.560 -2.989 0.686) 7.241 13.100 ( -7.623 8.172 -2.062) 11.364 13.438 ( -4.923 -2.353 0.031) 5.456 13.648 ( -1.863 -9.250 -1.990) 9.643 14.255 ( -5.872 -13.958 6.249) 16.382 14.772 ( -5.569 -2.524 -1.433) 6.280 15.004 ( 4.877 -6.600 -0.461) 8.219 15.214 ( -0.089 8.041 -1.405) 8.163 15.838 ( 3.423 12.489 0.651) 12.965 16.024 ( 5.546 5.576 -4.394) 9.009 16.099 ( 4.363 2.068 0.280) 4.837 16.694 ( 8.762 15.067 -3.303) 17.739 17.641 ( 13.201 -1.614 1.900) 13.434 17.892 ( 5.557 -2.738 0.396) 6.208 18.416 ( 5.971 -12.129 -1.126) 13.566 18.902 ( 3.255 9.512 -4.971) 11.215 19.234 ( -3.366 3.822 -3.212) 6.021 20.290 ( 3.366 -6.264 1.182) 7.209 20.544 ( 3.021 -1.623 3.291) 4.753 20.723 ( -2.226 -1.396 3.876) 4.683 21.321 ( -4.244 -8.626 7.107) 11.956 21.680 ( -0.105 2.947 -0.223) 2.957 21.800 ( -4.051 4.869 -1.012) 6.414 22.076 ( -2.273 3.203 -3.758) 5.436 22.093 ( -2.540 3.510 -3.500) 5.570 24.345 ( -1.866 -0.649 -1.295) 2.362 24.615 ( 3.611 -3.428 1.924) 5.338 108.000 ( 0.129 0.492 0.055) 0.511 108.156 ( -2.040 -1.357 0.629) 2.530 108.891 ( -0.386 1.497 -0.614) 1.664 108.914 ( -0.738 1.084 0.342) 1.355 109.193 ( 1.588 -0.729 1.686) 2.428 109.220 ( 0.751 -1.098 -1.801) 2.239 ======================= Grid point 267 (138/148) ======================= q-point: ( 0.44 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( -2.142 1.809 1.564) 3.210 1.952 ( 8.324 0.494 -0.545) 8.357 2.072 ( -2.807 -1.177 -0.066) 3.044 2.166 ( -0.163 1.571 -0.772) 1.758 2.610 ( 0.688 -0.914 -0.672) 1.326 2.739 ( 1.076 -1.391 1.831) 2.538 2.852 ( 2.766 7.646 -0.350) 8.139 3.548 ( -0.200 0.177 0.691) 0.741 3.944 ( 7.030 -2.018 2.588) 7.758 4.168 ( -3.110 6.936 -2.867) 8.124 4.465 ( 0.163 -7.439 -0.595) 7.465 4.822 ( -5.660 -1.046 0.406) 5.770 5.075 ( 2.898 -1.143 0.308) 3.130 5.183 ( 1.975 -6.910 0.153) 7.188 5.827 ( -2.021 -4.629 0.194) 5.054 6.267 ( -0.757 -3.783 -0.136) 3.860 7.530 ( 5.602 6.338 0.534) 8.476 7.860 ( -15.117 1.029 -1.299) 15.208 8.011 ( 0.396 7.512 0.304) 7.528 8.629 ( 1.395 -1.405 -0.247) 1.995 8.900 ( -0.768 2.448 -1.519) 2.981 9.075 ( -1.098 -1.064 0.815) 1.733 9.271 ( -1.114 1.827 0.105) 2.142 9.908 ( -1.911 2.780 -0.297) 3.387 10.316 ( -5.163 2.219 0.929) 5.695 10.764 ( 3.867 -12.613 0.325) 13.196 10.949 ( -0.610 -7.192 0.299) 7.224 11.160 ( 4.435 4.688 -0.483) 6.472 11.628 ( 5.169 0.142 -0.864) 5.243 11.736 ( 2.306 7.226 -1.496) 7.732 12.127 ( -4.247 -8.779 4.184) 10.612 12.441 ( 7.018 -4.197 0.789) 8.215 12.684 ( 1.766 0.863 3.103) 3.673 12.726 ( -3.175 0.969 1.887) 3.819 12.936 ( -6.667 10.640 -3.569) 13.054 13.363 ( -1.947 -2.796 -0.009) 3.407 13.733 ( 9.626 -12.532 -1.609) 15.884 14.020 ( -14.175 -10.710 2.381) 17.925 14.714 ( -0.446 -2.108 -1.448) 2.596 15.093 ( 2.665 -13.228 0.962) 13.528 15.199 ( -0.902 15.684 -0.854) 15.733 15.903 ( 1.951 14.671 0.426) 14.806 16.040 ( -0.192 2.129 -0.466) 2.188 16.227 ( 3.851 4.593 -0.398) 6.007 16.824 ( 3.417 15.229 -1.498) 15.680 17.838 ( 5.233 -3.064 1.544) 6.258 17.957 ( 1.042 -5.265 -0.522) 5.392 18.525 ( 3.428 -8.243 -0.198) 8.930 18.970 ( 2.848 5.829 -1.921) 6.766 19.144 ( -3.711 4.184 -1.932) 5.917 20.401 ( 6.516 -6.706 0.227) 9.353 20.531 ( -4.751 -7.088 1.363) 8.641 20.719 ( 1.332 4.154 1.792) 4.716 21.254 ( -2.107 -8.712 2.667) 9.352 21.677 ( -0.234 5.779 0.948) 5.861 21.734 ( -1.751 0.807 -1.650) 2.538 22.037 ( -1.053 2.875 -0.226) 3.070 22.053 ( -0.985 5.749 -2.081) 6.193 24.314 ( -0.848 -0.282 -0.464) 1.007 24.670 ( 1.376 -3.886 0.658) 4.174 108.003 ( 0.112 0.353 0.011) 0.371 108.126 ( -0.819 -1.015 0.190) 1.318 108.885 ( -0.117 1.361 -0.312) 1.401 108.903 ( -0.325 1.084 0.199) 1.149 109.219 ( 0.763 -0.877 1.722) 2.078 109.228 ( 0.096 -1.017 -1.699) 1.982 ======================= Grid point 272 (139/148) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( -0.000 23.766 0.000) 23.766 1.713 ( 0.000 9.924 0.000) 9.924 1.946 ( 0.000 0.642 0.000) 0.642 1.986 ( -0.000 -2.701 -0.000) 2.701 2.372 ( 0.000 -7.857 -0.000) 7.857 2.421 ( -0.000 -5.604 0.000) 5.604 2.878 ( 0.000 -0.820 -0.000) 0.820 2.969 ( -0.000 3.503 0.000) 3.503 3.237 ( 0.000 -8.120 0.000) 8.120 3.501 ( 0.000 -12.847 0.000) 12.847 4.648 ( -0.000 6.616 0.000) 6.616 4.760 ( -0.000 0.039 0.000) 0.039 5.801 ( -0.000 15.213 0.000) 15.213 6.088 ( 0.000 2.347 0.000) 2.347 6.300 ( 0.000 7.512 0.000) 7.512 6.565 ( 0.000 0.050 0.000) 0.050 7.732 ( -0.000 -1.340 0.000) 1.340 7.808 ( 0.000 -7.198 0.000) 7.198 8.147 ( 0.000 -3.471 0.000) 3.471 8.850 ( 0.000 -13.214 0.000) 13.214 9.010 ( 0.000 -8.219 0.000) 8.219 9.137 ( 0.000 -7.756 0.000) 7.756 9.485 ( 0.000 9.115 0.000) 9.115 10.039 ( -0.000 -0.264 0.000) 0.264 10.432 ( 0.000 3.394 0.000) 3.394 10.629 ( -0.000 10.516 0.000) 10.516 10.978 ( -0.000 -12.636 0.000) 12.636 11.101 ( 0.000 9.497 0.000) 9.497 11.390 ( 0.000 -4.043 0.000) 4.043 11.595 ( 0.000 -5.594 0.000) 5.594 11.859 ( -0.000 7.650 0.000) 7.650 12.146 ( 0.000 -1.516 0.000) 1.516 12.753 ( -0.000 2.881 0.000) 2.881 12.859 ( 0.000 9.092 0.000) 9.092 13.324 ( -0.000 -1.541 0.000) 1.541 13.671 ( 0.000 -4.241 0.000) 4.241 13.849 ( 0.000 0.296 0.000) 0.296 13.885 ( -0.000 -4.776 0.000) 4.776 14.319 ( 0.000 0.590 0.000) 0.590 15.024 ( 0.000 -27.157 0.000) 27.157 15.229 ( -0.000 8.846 0.000) 8.846 15.557 ( 0.000 -8.549 0.000) 8.549 15.793 ( -0.000 16.011 0.000) 16.011 16.289 ( 0.000 1.146 0.000) 1.146 16.709 ( 0.000 8.311 0.000) 8.311 16.915 ( -0.000 6.745 0.000) 6.745 17.415 ( 0.000 4.383 0.000) 4.383 17.956 ( 0.000 -14.395 0.000) 14.395 19.171 ( 0.000 12.557 0.000) 12.557 19.325 ( -0.000 9.348 0.000) 9.348 20.249 ( -0.000 -8.779 0.000) 8.779 20.471 ( 0.000 -10.328 0.000) 10.328 20.656 ( -0.000 8.533 0.000) 8.533 21.324 ( -0.000 -10.426 0.000) 10.426 21.746 ( 0.000 5.458 0.000) 5.458 22.117 ( -0.000 -0.500 0.000) 0.500 22.172 ( -0.000 3.004 0.000) 3.004 22.247 ( 0.000 5.112 0.000) 5.112 24.341 ( 0.000 -0.846 0.000) 0.846 24.416 ( 0.000 -2.931 0.000) 2.931 108.028 ( -0.000 1.714 0.000) 1.714 108.197 ( -0.000 -3.632 0.000) 3.632 108.960 ( 0.000 2.410 0.000) 2.410 108.977 ( 0.000 1.646 0.000) 1.646 109.113 ( 0.000 -0.866 0.000) 0.866 109.129 ( -0.000 -1.325 0.000) 1.325 ======================= Grid point 274 (140/148) ======================= q-point: ( 0.11 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( -1.186 16.364 0.774) 16.425 1.834 ( 2.869 7.325 7.141) 10.624 1.943 ( 4.479 5.845 -9.363) 11.912 2.068 ( 5.236 -0.050 0.600) 5.271 2.369 ( 0.573 -7.444 6.493) 9.895 2.513 ( 7.992 -5.265 -5.201) 10.893 2.746 ( -6.420 0.833 5.884) 8.748 3.121 ( 4.157 -7.768 -3.388) 9.439 3.293 ( 10.732 -2.030 10.314) 15.022 3.612 ( 9.865 -10.796 -13.137) 19.658 4.583 ( -5.641 7.490 2.511) 9.707 4.729 ( -2.821 -0.524 0.350) 2.890 5.656 ( -11.965 12.312 0.515) 17.176 5.970 ( -11.621 0.436 0.300) 11.633 6.237 ( -5.835 6.596 -0.431) 8.818 6.540 ( -3.336 -0.218 -0.330) 3.359 7.681 ( -3.568 1.088 0.491) 3.762 7.846 ( 3.143 -4.575 0.539) 5.577 8.211 ( 5.884 -3.781 -0.951) 7.058 8.743 ( -8.971 -12.766 0.610) 15.615 9.028 ( 2.027 -5.568 -0.561) 5.952 9.182 ( 2.082 -5.545 -1.358) 6.076 9.483 ( -0.139 9.491 1.031) 9.548 10.111 ( 4.622 -1.487 -0.542) 4.886 10.487 ( 1.858 4.761 -0.872) 5.185 10.588 ( -1.056 6.736 1.483) 6.978 10.821 ( -6.802 -0.854 -1.124) 6.947 11.165 ( -1.190 -1.111 -0.173) 1.637 11.359 ( -7.796 -7.940 1.458) 11.223 11.490 ( 2.055 -2.876 -0.268) 3.545 11.945 ( 5.116 5.726 5.269) 9.312 12.215 ( 5.232 1.372 -1.124) 5.524 12.595 ( -8.723 6.685 1.490) 11.090 12.941 ( 1.366 -0.076 1.549) 2.067 13.353 ( 2.150 0.458 -0.917) 2.382 13.591 ( -6.687 -6.457 0.207) 9.298 13.809 ( -3.880 -0.535 0.976) 4.037 13.958 ( 4.002 -6.453 5.326) 9.274 14.405 ( 9.420 1.309 0.617) 9.530 14.990 ( -3.732 -20.941 -1.006) 21.295 15.275 ( 3.699 7.779 1.156) 8.691 15.611 ( 4.836 -8.238 0.604) 9.571 15.860 ( 6.442 15.313 -4.985) 17.345 16.282 ( -0.803 3.129 -3.085) 4.467 16.690 ( 1.051 12.349 0.332) 12.398 17.048 ( 11.027 3.682 -0.951) 11.664 17.514 ( 8.333 2.235 0.604) 8.649 17.974 ( 1.795 -14.105 -0.527) 14.229 19.147 ( -1.640 13.185 -8.240) 15.635 19.340 ( 1.117 7.557 0.849) 7.687 20.211 ( -3.134 -7.870 0.798) 8.509 20.460 ( -1.121 -9.594 -2.597) 10.002 20.672 ( 1.376 6.767 6.758) 9.662 21.302 ( -2.373 -9.889 8.499) 13.253 21.744 ( -0.133 5.026 -2.856) 5.782 22.078 ( -3.461 0.600 1.472) 3.809 22.168 ( -0.377 2.392 -0.210) 2.430 22.250 ( 0.175 4.919 -6.336) 8.023 24.357 ( 1.112 -1.186 -1.205) 2.024 24.420 ( 0.716 -2.949 1.705) 3.481 108.025 ( -0.273 1.646 0.092) 1.671 108.186 ( -1.092 -3.406 0.586) 3.625 108.955 ( -0.506 2.357 0.021) 2.411 108.971 ( -0.503 1.630 0.008) 1.706 109.117 ( 0.651 -0.741 0.779) 1.257 109.146 ( 1.286 -1.563 -1.248) 2.378 ======================= Grid point 275 (141/148) ======================= q-point: ( 0.22 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 2.773 7.755 3.316) 8.878 1.793 ( -3.972 2.814 -0.061) 4.868 2.063 ( 4.608 5.185 0.644) 6.966 2.172 ( 3.265 2.806 -3.514) 5.557 2.445 ( 6.920 -2.302 1.903) 7.537 2.656 ( -1.709 1.297 6.614) 6.953 2.696 ( 7.852 -2.815 -3.980) 9.242 3.176 ( 4.460 -11.994 7.353) 14.758 3.643 ( 17.242 -1.325 -5.091) 18.026 3.852 ( 14.156 -9.176 -6.116) 17.944 4.466 ( -4.603 8.668 2.324) 10.086 4.672 ( -1.487 -1.132 0.880) 2.066 5.380 ( -13.469 6.639 0.509) 15.025 5.634 ( -19.455 -1.498 0.722) 19.526 6.074 ( -9.296 3.693 -0.576) 10.019 6.408 ( -8.692 -3.013 -0.601) 9.219 7.625 ( -1.482 6.003 0.884) 6.246 7.933 ( 5.129 0.162 0.880) 5.206 8.362 ( 7.718 -3.620 -1.032) 8.587 8.524 ( -11.850 -9.457 -0.141) 15.162 9.075 ( 1.885 -2.130 -1.013) 3.020 9.158 ( -4.281 0.555 -1.319) 4.514 9.469 ( -2.175 7.929 0.850) 8.265 10.158 ( 0.564 -1.553 -1.179) 2.030 10.355 ( -8.508 2.352 1.590) 8.969 10.717 ( -2.828 -2.219 -0.967) 3.722 10.766 ( 8.048 0.746 0.454) 8.095 11.007 ( -6.074 1.179 0.531) 6.210 11.330 ( 3.813 -3.236 1.294) 5.165 11.614 ( 7.874 -10.458 -0.615) 13.105 12.045 ( 2.751 6.209 4.236) 8.004 12.265 ( -0.408 8.041 1.057) 8.120 12.532 ( 3.707 -0.225 3.832) 5.336 12.882 ( -6.061 -4.712 2.805) 8.174 13.354 ( -3.228 4.050 -1.396) 5.364 13.451 ( -5.500 -7.163 -0.738) 9.060 13.675 ( -8.425 -1.133 0.479) 8.514 14.029 ( 1.909 -10.010 7.037) 12.385 14.645 ( 10.356 -2.363 2.871) 11.004 14.869 ( -6.893 -11.639 -4.637) 14.300 15.361 ( 4.331 7.857 0.822) 9.010 15.725 ( 5.357 -6.526 0.013) 8.443 16.043 ( 10.815 13.939 -3.875) 18.064 16.266 ( 0.388 9.781 -2.873) 10.201 16.800 ( 8.845 14.867 -1.936) 17.407 17.319 ( 13.995 -0.835 0.598) 14.033 17.704 ( 8.585 -0.720 -0.071) 8.616 18.037 ( 4.772 -13.436 -1.204) 14.309 19.108 ( -1.083 12.837 -9.248) 15.858 19.356 ( -0.044 5.069 -1.599) 5.315 20.151 ( -1.946 -6.524 1.046) 6.888 20.429 ( -1.287 -10.130 -1.680) 10.348 20.718 ( 2.141 5.161 8.161) 9.890 21.243 ( -3.948 -8.667 11.604) 15.012 21.736 ( -0.371 3.993 -3.772) 5.506 21.988 ( -5.136 1.073 0.346) 5.258 22.154 ( -1.009 3.172 -0.072) 3.329 22.235 ( -1.065 4.807 -6.966) 8.530 24.360 ( -0.739 -0.941 -1.448) 1.878 24.463 ( 2.999 -3.880 2.146) 5.353 108.019 ( -0.265 1.422 0.084) 1.449 108.156 ( -1.696 -2.802 0.647) 3.339 108.941 ( -0.730 2.222 -0.183) 2.346 108.957 ( -0.800 1.585 0.043) 1.776 109.142 ( 1.527 -0.824 1.093) 2.051 109.172 ( 1.229 -1.720 -1.344) 2.506 ======================= Grid point 276 (142/148) ======================= q-point: ( 0.33 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( -2.762 2.630 4.985) 6.277 1.785 ( 4.649 0.003 -2.675) 5.364 2.123 ( 0.802 3.077 0.633) 3.242 2.189 ( -0.208 0.692 -1.834) 1.971 2.572 ( 3.058 0.610 -1.778) 3.590 2.668 ( 2.245 -0.633 6.191) 6.615 2.865 ( 9.259 5.542 -1.618) 10.911 3.351 ( 11.019 -8.006 6.269) 14.994 3.842 ( 3.271 -0.803 -8.523) 9.165 4.157 ( 11.327 -9.066 1.872) 14.629 4.412 ( -1.466 7.769 -1.169) 7.992 4.730 ( 7.351 -2.800 0.829) 7.910 5.125 ( -11.220 -1.227 0.770) 11.313 5.235 ( -16.034 -0.016 0.519) 16.043 5.881 ( -8.396 0.365 -0.132) 8.405 6.236 ( -6.455 -6.156 -0.494) 8.933 7.617 ( 0.591 8.808 0.376) 8.836 8.054 ( 6.068 4.768 1.078) 7.792 8.225 ( -15.895 -3.550 -0.937) 16.314 8.513 ( 5.268 -4.147 -0.669) 6.738 9.043 ( -5.499 3.524 -1.231) 6.646 9.083 ( -1.203 -1.054 -0.141) 1.606 9.399 ( -3.165 8.063 -0.066) 8.662 10.119 ( -7.304 9.424 -0.518) 11.934 10.257 ( 1.973 -15.748 1.297) 15.924 10.574 ( -5.695 -4.451 0.359) 7.237 10.859 ( -0.976 -1.546 1.341) 2.267 11.072 ( 8.219 2.945 -0.636) 8.754 11.464 ( 8.273 -1.142 -0.631) 8.375 11.794 ( 8.660 -9.690 -0.047) 12.996 12.017 ( -3.732 7.031 2.608) 8.376 12.319 ( 4.367 4.739 2.539) 6.927 12.644 ( 3.909 -1.195 5.132) 6.561 12.760 ( -3.970 -5.294 1.870) 6.877 13.238 ( -6.329 4.022 -0.891) 7.552 13.366 ( -3.668 -4.807 -1.509) 6.232 13.505 ( -6.049 -2.008 -1.191) 6.484 14.002 ( -5.844 -12.395 6.772) 15.286 14.721 ( -2.876 -2.487 -2.870) 4.764 14.812 ( 3.083 -8.252 -1.181) 8.888 15.450 ( 3.819 10.626 0.209) 11.293 15.818 ( 3.446 -5.601 -0.013) 6.576 16.248 ( 7.816 11.452 -0.588) 13.877 16.314 ( 4.354 16.356 -1.772) 17.018 17.001 ( 9.354 15.583 -2.696) 18.373 17.583 ( 10.419 -4.630 2.276) 11.626 17.825 ( 2.978 -3.520 -1.494) 4.847 18.180 ( 8.569 -11.970 -1.271) 14.775 19.095 ( 0.413 10.554 -6.276) 12.286 19.319 ( -3.307 4.390 -3.574) 6.556 20.159 ( 2.846 -6.458 1.415) 7.198 20.406 ( -1.212 -11.415 -0.577) 11.494 20.765 ( 1.767 5.085 6.359) 8.331 21.166 ( -4.097 -7.556 9.211) 12.598 21.726 ( -0.205 2.754 -2.983) 4.066 21.876 ( -5.328 1.288 -0.722) 5.528 22.132 ( -0.944 4.586 0.405) 4.699 22.200 ( -1.674 5.046 -4.801) 7.163 24.336 ( -1.204 0.052 -0.839) 1.468 24.528 ( 2.737 -5.310 1.387) 6.133 108.015 ( -0.100 1.100 0.028) 1.105 108.122 ( -1.495 -2.103 0.391) 2.609 108.927 ( -0.573 2.047 -0.306) 2.148 108.941 ( -0.747 1.540 0.092) 1.714 109.174 ( 1.394 -1.076 1.319) 2.200 109.192 ( 0.822 -1.645 -1.247) 2.221 ======================= Grid point 277 (143/148) ======================= q-point: ( 0.44 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( -1.252 4.014 1.397) 4.431 1.897 ( 4.294 -5.605 0.061) 7.061 2.101 ( -1.827 3.175 -0.568) 3.707 2.187 ( 0.032 0.516 -0.572) 0.771 2.601 ( 0.589 0.291 -0.203) 0.687 2.705 ( 0.772 -2.046 1.505) 2.654 3.041 ( 5.682 11.386 -0.067) 12.725 3.575 ( 7.800 2.027 4.116) 9.050 3.844 ( -1.128 -7.002 -4.608) 8.458 4.277 ( 1.875 -9.219 2.325) 9.691 4.370 ( -2.272 10.416 -2.789) 11.019 4.805 ( -2.696 -0.828 0.902) 2.961 4.924 ( -4.631 -9.429 0.350) 10.511 5.126 ( 2.467 -3.418 -0.413) 4.235 5.764 ( -2.347 -0.243 0.297) 2.378 6.157 ( -1.549 -7.453 -0.086) 7.612 7.672 ( 5.620 7.644 0.293) 9.493 7.893 ( -14.317 1.727 -1.052) 14.459 8.162 ( 3.348 7.754 0.540) 8.463 8.577 ( 1.119 -4.199 -0.048) 4.346 8.961 ( -2.039 3.121 -0.559) 3.770 9.049 ( -1.206 -1.475 0.174) 1.913 9.362 ( -0.707 8.727 -0.176) 8.758 9.975 ( -4.298 3.582 -0.022) 5.595 10.308 ( 1.112 -5.870 0.600) 6.004 10.534 ( 0.813 -10.442 -0.202) 10.476 10.816 ( -2.078 -3.116 0.687) 3.808 11.196 ( 3.084 -1.884 -0.206) 3.620 11.616 ( 4.758 0.583 -0.603) 4.831 11.923 ( 3.198 2.896 -2.211) 4.848 11.964 ( -1.341 0.369 3.677) 3.931 12.391 ( 2.153 -2.024 0.882) 3.084 12.673 ( 0.618 -1.410 1.808) 2.375 12.734 ( -0.957 -0.283 1.292) 1.633 13.125 ( -3.573 6.482 -0.738) 7.439 13.289 ( -2.500 -4.776 0.137) 5.393 13.486 ( 3.033 -8.587 -1.853) 9.294 13.836 ( -7.830 -9.002 2.803) 12.256 14.690 ( -0.243 -0.686 -1.642) 1.796 14.853 ( 0.885 -9.370 -0.070) 9.412 15.506 ( 1.398 12.621 0.043) 12.698 15.864 ( 1.020 -5.314 0.041) 5.411 16.363 ( 3.615 13.174 1.082) 13.704 16.390 ( 1.552 16.505 -1.426) 16.639 17.142 ( 3.749 16.060 -1.191) 16.535 17.739 ( 4.311 -7.186 2.183) 8.660 17.845 ( -0.316 -4.890 -1.796) 5.219 18.333 ( 4.651 -11.524 -0.451) 12.436 19.106 ( 0.628 8.054 -2.224) 8.379 19.242 ( -2.740 5.253 -1.882) 6.217 20.254 ( 5.271 -7.762 0.552) 9.399 20.360 ( -3.437 -10.176 0.147) 10.742 20.799 ( 1.029 4.307 2.289) 4.985 21.102 ( -2.059 -6.968 3.447) 8.042 21.727 ( 0.563 1.630 -0.988) 1.987 21.783 ( -3.051 1.973 -0.617) 3.685 22.120 ( -0.239 5.384 0.362) 5.402 22.168 ( -0.885 5.370 -1.742) 5.715 24.316 ( -0.551 0.834 -0.284) 1.040 24.570 ( 1.054 -6.202 0.484) 6.310 108.014 ( 0.003 0.848 0.001) 0.848 108.099 ( -0.603 -1.638 0.120) 1.749 108.919 ( -0.200 1.911 -0.168) 1.929 108.929 ( -0.318 1.524 0.070) 1.559 109.197 ( 0.631 -1.302 1.337) 1.970 109.202 ( 0.198 -1.481 -1.256) 1.952 ======================= Grid point 282 (144/148) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( -0.000 4.213 -0.000) 4.213 1.897 ( 0.000 1.958 0.000) 1.958 1.999 ( -0.000 6.964 0.000) 6.964 2.058 ( 0.000 13.863 -0.000) 13.863 2.193 ( 0.000 -10.548 -0.000) 10.548 2.285 ( -0.000 -9.062 0.000) 9.062 2.892 ( 0.000 2.803 -0.000) 2.803 2.974 ( -0.000 -4.030 0.000) 4.030 3.173 ( -0.000 2.746 0.000) 2.746 3.291 ( -0.000 -8.760 0.000) 8.760 4.731 ( -0.000 2.286 0.000) 2.286 4.754 ( 0.000 -0.581 0.000) 0.581 6.039 ( -0.000 8.566 0.000) 8.566 6.118 ( 0.000 -0.253 0.000) 0.253 6.443 ( 0.000 6.782 0.000) 6.782 6.540 ( -0.000 -3.077 0.000) 3.077 7.662 ( -0.000 -2.848 0.000) 2.848 7.683 ( 0.000 -4.782 0.000) 4.782 8.258 ( 0.000 12.471 0.000) 12.471 8.550 ( 0.000 -16.757 0.000) 16.757 8.925 ( 0.000 -0.202 0.000) 0.202 8.993 ( 0.000 -6.455 0.000) 6.455 9.693 ( 0.000 11.815 0.000) 11.815 9.913 ( -0.000 -10.426 0.000) 10.426 10.545 ( 0.000 8.164 0.000) 8.164 10.734 ( -0.000 -11.109 0.000) 11.109 10.919 ( 0.000 15.827 0.000) 15.827 11.182 ( 0.000 -8.472 0.000) 8.472 11.321 ( -0.000 5.068 0.000) 5.068 11.465 ( 0.000 -7.682 0.000) 7.682 12.016 ( -0.000 7.319 0.000) 7.319 12.113 ( 0.000 -2.898 0.000) 2.898 12.839 ( -0.000 6.018 0.000) 6.018 12.944 ( 0.000 -2.411 0.000) 2.411 13.355 ( -0.000 7.615 0.000) 7.615 13.544 ( 0.000 -9.268 0.000) 9.268 13.848 ( 0.000 -0.155 0.000) 0.155 13.851 ( -0.000 -0.142 0.000) 0.142 14.370 ( 0.000 5.698 0.000) 5.698 14.583 ( 0.000 -17.396 0.000) 17.396 15.332 ( -0.000 3.957 0.000) 3.957 15.420 ( 0.000 -5.703 0.000) 5.703 16.089 ( -0.000 12.692 0.000) 12.692 16.256 ( 0.000 -4.924 0.000) 4.924 16.873 ( 0.000 7.843 0.000) 7.843 16.968 ( -0.000 -1.324 0.000) 1.324 17.526 ( 0.000 7.437 0.000) 7.437 17.707 ( 0.000 -11.395 0.000) 11.395 19.384 ( 0.000 9.018 0.000) 9.018 19.460 ( -0.000 2.457 0.000) 2.457 20.133 ( -0.000 -1.055 0.000) 1.055 20.242 ( 0.000 -10.898 0.000) 10.898 20.874 ( -0.000 12.435 0.000) 12.435 21.110 ( -0.000 -11.905 0.000) 11.905 21.873 ( 0.000 7.355 0.000) 7.355 22.013 ( -0.000 -6.956 0.000) 6.956 22.274 ( -0.000 4.096 0.000) 4.096 22.306 ( 0.000 0.809 0.000) 0.809 24.336 ( 0.000 0.521 0.000) 0.521 24.363 ( 0.000 -2.263 0.000) 2.263 108.070 ( -0.000 2.654 0.000) 2.654 108.129 ( -0.000 -3.408 0.000) 3.408 108.999 ( 0.000 1.355 0.000) 1.355 109.004 ( 0.000 0.858 0.000) 0.858 109.098 ( 0.000 -0.441 0.000) 0.441 109.104 ( 0.000 -1.040 0.000) 1.040 ======================= Grid point 284 (145/148) ======================= q-point: ( 0.11 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( -4.806 8.726 0.021) 9.963 1.883 ( -2.259 -0.478 0.501) 2.363 2.068 ( 3.889 3.564 7.682) 9.318 2.146 ( 3.909 3.764 -3.186) 6.293 2.238 ( 8.303 -0.788 2.547) 8.720 2.383 ( 9.319 -8.154 -7.268) 14.358 2.799 ( -5.640 5.184 9.855) 12.482 2.943 ( -2.803 -9.255 8.783) 13.063 3.325 ( 13.321 4.122 -6.947) 15.579 3.436 ( 11.944 -7.492 -12.993) 19.173 4.677 ( -4.643 2.817 2.328) 5.908 4.711 ( -3.748 -1.185 1.478) 4.200 5.861 ( -14.725 8.356 0.599) 16.941 5.961 ( -14.020 -2.194 0.460) 14.198 6.373 ( -6.890 7.157 -0.393) 9.942 6.492 ( -5.584 -4.755 -0.350) 7.342 7.703 ( 3.677 1.884 0.973) 4.245 7.762 ( 6.393 -4.053 0.769) 7.608 8.252 ( 0.516 7.632 -0.753) 7.687 8.470 ( -6.031 -14.132 0.128) 15.366 8.985 ( 4.737 1.326 -0.303) 4.928 9.064 ( 4.910 -6.091 -0.564) 7.844 9.703 ( 0.292 12.773 0.391) 12.782 9.948 ( 2.082 -12.174 -0.112) 12.351 10.601 ( 4.549 6.613 -1.202) 8.116 10.733 ( -0.865 -6.257 -1.196) 6.429 10.840 ( -5.799 15.197 0.782) 16.284 11.107 ( -7.698 -10.457 -0.026) 12.985 11.265 ( -3.243 2.986 1.754) 4.744 11.379 ( -3.975 -7.074 1.160) 8.197 12.094 ( 5.800 7.688 3.219) 10.155 12.200 ( 6.999 -3.157 1.154) 7.764 12.748 ( -8.073 8.808 1.198) 12.008 12.899 ( -4.871 -5.590 2.265) 7.753 13.369 ( 1.180 3.564 -1.905) 4.210 13.479 ( -4.830 -6.215 -1.676) 8.048 13.813 ( -3.468 1.164 2.567) 4.469 13.860 ( 0.231 -3.784 4.809) 6.124 14.468 ( 8.272 5.839 -0.413) 10.134 14.650 ( 4.337 -13.683 -1.668) 14.451 15.376 ( 3.889 4.347 1.088) 5.933 15.473 ( 4.768 -6.072 0.718) 7.753 16.137 ( 4.935 11.652 -2.850) 12.972 16.282 ( 2.800 -3.499 -2.173) 4.981 16.916 ( 4.616 10.422 -0.268) 11.401 17.055 ( 7.677 -3.440 -0.769) 8.447 17.584 ( 5.212 5.503 -0.154) 7.581 17.736 ( 2.757 -10.395 -0.493) 10.766 19.370 ( -1.111 9.156 -5.550) 10.764 19.448 ( -0.928 1.859 -2.973) 3.627 20.112 ( -1.799 -0.474 -0.389) 1.901 20.228 ( -1.157 -11.284 -4.471) 12.193 20.873 ( -0.342 11.887 8.742) 14.759 21.099 ( -1.398 -11.380 9.032) 14.596 21.862 ( -0.972 6.900 -2.223) 7.314 21.993 ( -1.875 -6.450 -1.162) 6.817 22.265 ( -0.784 4.382 -0.203) 4.456 22.304 ( -0.267 0.453 -3.163) 3.206 24.346 ( 0.769 0.219 -0.427) 0.907 24.369 ( 0.610 -2.121 0.705) 2.317 108.065 ( -0.447 2.538 0.119) 2.580 108.121 ( -0.716 -3.238 0.269) 3.327 108.993 ( -0.578 1.320 0.104) 1.445 108.998 ( -0.556 0.807 -0.061) 0.982 109.106 ( 0.802 -0.187 0.349) 0.894 109.117 ( 1.030 -1.274 -0.563) 1.733 ======================= Grid point 285 (146/148) ======================= q-point: ( 0.22 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( -3.283 5.930 2.550) 7.242 1.800 ( -4.731 -2.241 -0.333) 5.245 2.140 ( 2.588 2.989 2.447) 4.650 2.187 ( 0.870 -1.630 0.666) 1.964 2.482 ( 11.081 5.335 -2.824) 12.618 2.596 ( 7.300 -5.893 -2.891) 9.817 2.757 ( 4.357 8.278 8.312) 12.514 2.954 ( 5.135 -11.300 9.861) 15.852 3.640 ( 15.599 1.380 -9.083) 18.104 3.706 ( 14.293 -5.644 -10.574) 18.653 4.581 ( -3.777 3.870 3.367) 6.370 4.637 ( -2.437 -2.322 2.592) 4.248 5.510 ( -18.024 6.303 0.579) 19.103 5.600 ( -19.363 -2.913 0.663) 19.592 6.172 ( -11.534 6.489 -0.679) 13.251 6.307 ( -11.200 -6.915 -0.653) 13.179 7.779 ( 2.829 9.134 1.851) 9.739 7.915 ( 7.397 -3.569 1.738) 8.394 8.306 ( 4.488 -1.734 -1.225) 4.964 8.345 ( -5.660 -6.809 -0.679) 8.880 9.071 ( 2.616 1.917 -0.372) 3.264 9.128 ( 0.405 -3.174 -0.666) 3.268 9.681 ( -2.424 13.418 0.067) 13.635 9.951 ( -1.392 -14.079 -0.338) 14.151 10.527 ( -10.950 8.650 -0.028) 13.955 10.645 ( -9.649 -4.523 -0.378) 10.663 10.862 ( 7.444 8.547 0.569) 11.349 11.006 ( 0.691 -3.304 0.739) 3.455 11.279 ( 5.225 -0.713 0.883) 5.347 11.370 ( 3.605 -10.788 0.315) 11.379 12.223 ( 5.447 9.325 3.191) 11.261 12.345 ( 5.170 -1.950 2.745) 6.170 12.579 ( -5.678 7.090 2.922) 9.542 12.752 ( -8.335 -8.968 3.393) 12.705 13.362 ( -2.912 -1.065 -2.903) 4.247 13.377 ( -4.262 -1.238 -2.465) 5.077 13.719 ( -5.793 5.173 4.001) 8.737 13.852 ( -1.785 -8.356 6.303) 10.618 14.630 ( 5.927 1.179 -0.519) 6.066 14.698 ( 0.460 -6.105 -3.421) 7.013 15.483 ( 6.030 5.717 0.769) 8.345 15.597 ( 6.400 -6.372 0.443) 9.043 16.285 ( 8.890 9.686 -2.232) 13.336 16.376 ( 6.316 0.698 -2.021) 6.668 17.065 ( 9.229 12.412 -1.139) 15.510 17.253 ( 10.594 -6.648 -0.183) 12.508 17.714 ( 6.411 2.557 -1.010) 6.976 17.821 ( 5.687 -8.632 -1.247) 10.412 19.332 ( -1.884 9.336 -8.238) 12.592 19.420 ( -1.551 0.365 -4.868) 5.122 20.076 ( -1.096 0.324 -0.034) 1.143 20.196 ( -1.203 -11.314 -3.750) 11.980 20.877 ( -0.010 9.867 11.222) 14.943 21.068 ( -2.320 -9.695 12.179) 15.738 21.830 ( -1.784 5.574 -3.267) 6.702 21.935 ( -3.517 -4.912 -1.993) 6.361 22.245 ( -1.007 4.392 -0.525) 4.536 22.287 ( -1.062 0.295 -3.653) 3.815 24.357 ( 0.225 0.810 -0.416) 0.938 24.394 ( 1.591 -3.023 0.908) 3.534 108.054 ( -0.602 2.196 0.122) 2.280 108.102 ( -1.077 -2.759 0.301) 2.977 108.977 ( -0.842 1.261 -0.032) 1.516 108.982 ( -0.854 0.735 -0.109) 1.132 109.130 ( 1.372 -0.186 0.516) 1.478 109.141 ( 1.246 -1.296 -0.483) 1.862 ======================= Grid point 286 (147/148) ======================= q-point: ( 0.33 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( -2.000 4.040 3.027) 5.430 1.743 ( 0.043 -3.690 -0.024) 3.691 2.172 ( 0.124 1.711 -0.287) 1.739 2.190 ( -0.203 -0.420 -1.006) 1.109 2.602 ( 1.886 2.314 -0.466) 3.022 2.646 ( 0.958 -1.917 2.424) 3.236 3.010 ( 14.897 9.213 2.900) 17.754 3.191 ( 15.031 -9.060 6.639) 18.765 3.854 ( 4.979 3.095 -9.322) 11.012 3.971 ( 9.390 -8.741 -5.329) 13.892 4.554 ( 0.800 6.106 2.567) 6.672 4.654 ( 3.799 -4.685 2.428) 6.502 5.145 ( -16.597 3.531 0.438) 16.974 5.218 ( -15.764 -2.894 0.276) 16.030 5.944 ( -9.026 6.128 -0.325) 10.914 6.090 ( -8.086 -8.380 -0.400) 11.652 7.810 ( 0.013 10.890 0.664) 10.910 8.011 ( -0.912 -9.011 0.910) 9.103 8.261 ( -0.435 7.138 -0.546) 7.172 8.405 ( 4.361 -6.987 -0.462) 8.249 9.067 ( -3.021 0.712 0.534) 3.149 9.083 ( -3.471 -0.407 -0.788) 3.582 9.628 ( -1.782 14.950 -0.392) 15.061 9.939 ( 0.358 -16.894 0.328) 16.901 10.296 ( -9.246 8.720 -0.268) 12.713 10.453 ( -7.364 -7.680 0.107) 10.641 10.925 ( -1.066 7.512 1.463) 7.727 11.066 ( 2.301 -4.668 0.585) 5.237 11.460 ( 11.481 1.735 -0.598) 11.627 11.563 ( 13.019 -9.556 0.292) 16.153 12.244 ( -3.753 12.119 1.097) 12.734 12.382 ( -0.852 -0.230 2.826) 2.961 12.602 ( 4.627 -2.212 3.806) 6.387 12.632 ( -1.141 -6.195 2.509) 6.780 13.251 ( -5.823 0.443 -1.884) 6.136 13.291 ( -4.873 -3.235 -2.215) 6.255 13.591 ( -6.090 8.524 2.898) 10.869 13.779 ( -5.561 -10.811 5.303) 13.264 14.689 ( -0.084 -0.625 -3.009) 3.075 14.708 ( 1.849 -2.899 -1.903) 3.930 15.605 ( 5.036 6.265 0.462) 8.051 15.713 ( 4.340 -5.385 0.247) 6.920 16.465 ( 7.682 9.112 -0.617) 11.934 16.525 ( 7.336 4.132 -0.845) 8.461 17.258 ( 8.429 11.360 -0.897) 14.174 17.454 ( 7.941 -8.932 0.861) 11.983 17.817 ( 3.553 4.147 -1.929) 5.792 17.967 ( 7.648 -10.165 -1.788) 12.846 19.286 ( -1.763 8.279 -6.575) 10.719 19.370 ( -2.855 -0.131 -5.252) 5.979 20.084 ( 1.951 -0.118 0.846) 2.129 20.183 ( 0.112 -9.935 -1.050) 9.991 20.885 ( -0.114 7.035 8.285) 10.869 21.024 ( -2.620 -7.337 9.456) 12.252 21.789 ( -1.729 3.649 -2.834) 4.933 21.854 ( -3.769 -2.767 -2.011) 5.090 22.225 ( -0.864 3.973 -0.291) 4.077 22.258 ( -1.313 0.706 -2.573) 2.974 24.358 ( -0.046 2.359 -0.152) 2.365 24.427 ( 1.409 -4.770 0.644) 5.015 108.042 ( -0.456 1.736 0.058) 1.795 108.080 ( -0.927 -2.158 0.179) 2.356 108.960 ( -0.712 1.162 -0.125) 1.368 108.965 ( -0.767 0.706 -0.099) 1.047 109.158 ( 1.183 -0.430 0.626) 1.406 109.164 ( 0.975 -1.074 -0.377) 1.499 ======================= Grid point 287 (148/148) ======================= q-point: ( 0.44 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( -0.030 5.933 1.077) 6.030 1.773 ( 1.545 -6.828 0.627) 7.029 2.155 ( -0.864 2.190 -0.731) 2.465 2.184 ( -0.321 -0.840 -0.623) 1.094 2.623 ( 0.526 1.824 0.248) 1.914 2.663 ( 0.460 -2.219 0.808) 2.405 3.269 ( 7.806 12.243 1.338) 14.581 3.500 ( 12.045 -10.767 4.673) 16.818 3.841 ( -4.367 8.417 -5.871) 11.153 4.058 ( 0.689 -12.357 -1.857) 12.515 4.583 ( 1.056 9.797 1.021) 9.907 4.731 ( 2.049 -6.480 1.862) 7.046 4.870 ( -8.286 3.818 -0.547) 9.140 5.002 ( -4.672 -8.408 -0.739) 9.647 5.836 ( -1.605 6.963 0.236) 7.150 5.996 ( -1.558 -8.966 0.092) 9.101 7.805 ( 0.820 6.032 -0.120) 6.089 7.891 ( -7.084 -2.474 -0.575) 7.526 8.314 ( 2.742 8.278 0.333) 8.727 8.466 ( 1.441 -7.167 0.120) 7.311 9.001 ( -2.018 1.277 0.173) 2.394 9.023 ( -1.757 -1.224 -0.054) 2.142 9.615 ( 0.082 16.722 -0.098) 16.722 9.932 ( -1.111 -12.815 0.534) 12.875 10.201 ( -0.394 2.347 -0.334) 2.403 10.340 ( -3.381 -9.788 -0.404) 10.363 10.892 ( -1.313 8.979 0.766) 9.106 11.080 ( -0.110 -9.231 0.417) 9.242 11.676 ( 6.906 5.180 -0.347) 8.640 11.794 ( 6.971 -6.924 0.170) 9.827 12.169 ( -2.290 10.742 0.250) 10.986 12.328 ( -2.546 -5.443 0.936) 6.081 12.658 ( 1.965 0.510 1.249) 2.384 12.699 ( 2.449 -3.075 1.351) 4.157 13.151 ( -2.924 -0.060 -0.868) 3.051 13.196 ( -3.054 -4.291 -0.324) 5.277 13.504 ( -1.969 7.324 0.638) 7.611 13.665 ( -4.188 -8.810 2.000) 9.958 14.689 ( 0.183 0.757 -1.377) 1.582 14.730 ( 0.495 -3.897 -0.764) 4.002 15.677 ( 1.795 6.137 0.188) 6.397 15.773 ( 1.431 -4.444 0.119) 4.671 16.582 ( 3.153 9.555 -0.039) 10.062 16.639 ( 3.021 5.501 -0.167) 6.278 17.383 ( 3.182 9.324 -0.190) 9.854 17.567 ( 2.705 -10.217 0.637) 10.588 17.864 ( 1.165 8.181 -1.114) 8.338 18.091 ( 3.544 -13.314 -0.897) 13.807 19.255 ( -0.727 6.453 -2.436) 6.935 19.311 ( -1.791 0.975 -2.272) 3.052 20.142 ( 2.876 -2.657 0.540) 3.952 20.184 ( -0.562 -6.797 -0.030) 6.820 20.886 ( -0.156 4.776 2.968) 5.625 20.984 ( -1.405 -5.527 3.494) 6.687 21.763 ( -0.543 1.890 -1.099) 2.253 21.791 ( -1.839 -0.807 -0.890) 2.197 22.212 ( -0.303 3.489 -0.021) 3.502 22.235 ( -0.623 1.247 -0.931) 1.676 24.356 ( -0.052 3.496 -0.032) 3.497 24.449 ( 0.542 -5.950 0.240) 5.979 108.036 ( -0.159 1.392 0.012) 1.401 108.066 ( -0.365 -1.731 0.053) 1.770 108.950 ( -0.271 1.063 -0.070) 1.100 108.953 ( -0.312 0.717 -0.033) 0.782 109.176 ( 0.478 -0.657 0.558) 0.986 109.178 ( 0.343 -0.844 -0.420) 1.003 =================== 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 3/33264 10.0 13.534 18.955 12.304 0.000 -3.188 0.000 3/33264 20.0 6.801 6.785 4.676 0.000 -1.092 0.000 3/33264 30.0 3.916 3.784 2.590 0.000 -0.496 0.000 3/33264 40.0 2.679 2.581 1.763 0.000 -0.295 0.000 3/33264 50.0 2.051 1.964 1.328 0.000 -0.206 0.000 3/33264 60.0 1.684 1.599 1.062 0.000 -0.157 0.000 3/33264 70.0 1.445 1.361 0.884 0.000 -0.126 0.000 3/33264 80.0 1.276 1.195 0.757 0.000 -0.106 0.000 3/33264 90.0 1.149 1.074 0.663 0.000 -0.091 0.000 3/33264 100.0 1.051 0.982 0.590 0.000 -0.079 0.000 3/33264 110.0 0.971 0.909 0.532 0.000 -0.070 0.000 3/33264 120.0 0.905 0.850 0.486 0.000 -0.063 0.000 3/33264 130.0 0.849 0.801 0.448 0.000 -0.057 0.000 3/33264 140.0 0.801 0.760 0.416 0.000 -0.051 0.000 3/33264 150.0 0.759 0.723 0.389 0.000 -0.047 0.000 3/33264 160.0 0.722 0.692 0.366 0.000 -0.043 0.000 3/33264 170.0 0.689 0.663 0.346 0.000 -0.040 0.000 3/33264 180.0 0.659 0.638 0.328 0.000 -0.037 0.000 3/33264 190.0 0.631 0.614 0.312 0.000 -0.035 0.000 3/33264 200.0 0.606 0.593 0.298 0.000 -0.032 0.000 3/33264 210.0 0.583 0.573 0.286 0.000 -0.030 0.000 3/33264 220.0 0.562 0.554 0.274 0.000 -0.028 0.000 3/33264 230.0 0.543 0.537 0.264 0.000 -0.027 0.000 3/33264 240.0 0.524 0.521 0.254 0.000 -0.025 0.000 3/33264 250.0 0.507 0.506 0.246 0.000 -0.024 0.000 3/33264 260.0 0.491 0.491 0.237 0.000 -0.023 0.000 3/33264 270.0 0.476 0.478 0.230 0.000 -0.022 0.000 3/33264 280.0 0.462 0.465 0.223 0.000 -0.021 0.000 3/33264 290.0 0.449 0.453 0.216 0.000 -0.020 0.000 3/33264 300.0 0.436 0.441 0.210 0.000 -0.019 0.000 3/33264 310.0 0.424 0.430 0.204 0.000 -0.018 0.000 3/33264 320.0 0.413 0.419 0.198 0.000 -0.018 0.000 3/33264 330.0 0.402 0.409 0.193 0.000 -0.017 0.000 3/33264 340.0 0.392 0.400 0.188 0.000 -0.016 0.000 3/33264 350.0 0.382 0.390 0.183 0.000 -0.016 0.000 3/33264 360.0 0.373 0.382 0.179 0.000 -0.015 0.000 3/33264 370.0 0.364 0.373 0.175 0.000 -0.015 0.000 3/33264 380.0 0.355 0.365 0.171 0.000 -0.014 0.000 3/33264 390.0 0.347 0.357 0.167 0.000 -0.014 0.000 3/33264 400.0 0.340 0.350 0.163 0.000 -0.013 0.000 3/33264 410.0 0.332 0.343 0.159 0.000 -0.013 0.000 3/33264 420.0 0.325 0.336 0.156 0.000 -0.013 0.000 3/33264 430.0 0.318 0.329 0.153 0.000 -0.012 0.000 3/33264 440.0 0.312 0.323 0.150 0.000 -0.012 0.000 3/33264 450.0 0.306 0.316 0.147 0.000 -0.012 0.000 3/33264 460.0 0.300 0.310 0.144 0.000 -0.011 0.000 3/33264 470.0 0.294 0.305 0.141 0.000 -0.011 0.000 3/33264 480.0 0.288 0.299 0.138 0.000 -0.011 0.000 3/33264 490.0 0.283 0.294 0.136 0.000 -0.010 0.000 3/33264 500.0 0.278 0.289 0.133 0.000 -0.010 0.000 3/33264 510.0 0.273 0.284 0.131 0.000 -0.010 0.000 3/33264 520.0 0.268 0.279 0.128 0.000 -0.010 0.000 3/33264 530.0 0.263 0.274 0.126 0.000 -0.010 0.000 3/33264 540.0 0.258 0.269 0.124 0.000 -0.009 0.000 3/33264 550.0 0.254 0.265 0.122 0.000 -0.009 0.000 3/33264 560.0 0.250 0.261 0.120 0.000 -0.009 0.000 3/33264 570.0 0.246 0.257 0.118 0.000 -0.009 0.000 3/33264 580.0 0.242 0.253 0.116 0.000 -0.009 0.000 3/33264 590.0 0.238 0.249 0.114 0.000 -0.008 0.000 3/33264 600.0 0.234 0.245 0.113 0.000 -0.008 0.000 3/33264 610.0 0.231 0.241 0.111 0.000 -0.008 0.000 3/33264 620.0 0.227 0.238 0.109 0.000 -0.008 0.000 3/33264 630.0 0.224 0.234 0.107 0.000 -0.008 0.000 3/33264 640.0 0.220 0.231 0.106 0.000 -0.008 0.000 3/33264 650.0 0.217 0.228 0.104 0.000 -0.008 0.000 3/33264 660.0 0.214 0.224 0.103 0.000 -0.007 0.000 3/33264 670.0 0.211 0.221 0.101 0.000 -0.007 0.000 3/33264 680.0 0.208 0.218 0.100 0.000 -0.007 0.000 3/33264 690.0 0.205 0.215 0.099 0.000 -0.007 0.000 3/33264 700.0 0.202 0.213 0.097 0.000 -0.007 0.000 3/33264 710.0 0.200 0.210 0.096 0.000 -0.007 0.000 3/33264 720.0 0.197 0.207 0.095 0.000 -0.007 0.000 3/33264 730.0 0.195 0.204 0.094 0.000 -0.007 0.000 3/33264 740.0 0.192 0.202 0.092 0.000 -0.007 0.000 3/33264 750.0 0.190 0.199 0.091 0.000 -0.007 0.000 3/33264 760.0 0.187 0.197 0.090 0.000 -0.006 0.000 3/33264 770.0 0.185 0.194 0.089 0.000 -0.006 0.000 3/33264 780.0 0.183 0.192 0.088 0.000 -0.006 0.000 3/33264 790.0 0.180 0.190 0.087 0.000 -0.006 0.000 3/33264 800.0 0.178 0.188 0.086 0.000 -0.006 0.000 3/33264 810.0 0.176 0.185 0.085 0.000 -0.006 0.000 3/33264 820.0 0.174 0.183 0.084 0.000 -0.006 0.000 3/33264 830.0 0.172 0.181 0.083 0.000 -0.006 0.000 3/33264 840.0 0.170 0.179 0.082 0.000 -0.006 0.000 3/33264 850.0 0.168 0.177 0.081 0.000 -0.006 0.000 3/33264 860.0 0.166 0.175 0.080 0.000 -0.006 0.000 3/33264 870.0 0.164 0.173 0.079 0.000 -0.006 0.000 3/33264 880.0 0.163 0.171 0.078 0.000 -0.005 0.000 3/33264 890.0 0.161 0.170 0.077 0.000 -0.005 0.000 3/33264 900.0 0.159 0.168 0.077 0.000 -0.005 0.000 3/33264 910.0 0.157 0.166 0.076 0.000 -0.005 0.000 3/33264 920.0 0.156 0.164 0.075 0.000 -0.005 0.000 3/33264 930.0 0.154 0.163 0.074 0.000 -0.005 0.000 3/33264 940.0 0.153 0.161 0.073 0.000 -0.005 0.000 3/33264 950.0 0.151 0.159 0.073 0.000 -0.005 0.000 3/33264 960.0 0.149 0.158 0.072 0.000 -0.005 0.000 3/33264 970.0 0.148 0.156 0.071 0.000 -0.005 0.000 3/33264 980.0 0.147 0.155 0.071 0.000 -0.005 0.000 3/33264 990.0 0.145 0.153 0.070 0.000 -0.005 0.000 3/33264 1000.0 0.144 0.152 0.069 0.000 -0.005 0.000 3/33264 Thermal conductivity related properties were written into "kappa-m978.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:15:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|