----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:21:33]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.459128620000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.649266709999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.718665349999999 Atomic positions (fractional): *1 Cl 0.99810007002791 0.03015902075585 0.23584311755189 35.453 2 Cl 0.49810007002791 0.46984097924415 0.76415688244811 35.453 3 Cl 0.50189992997209 0.96984097924415 0.73584311755189 35.453 4 Cl 0.00189992997209 0.53015902075585 0.26415688244811 35.453 5 Cl 0.00189992997209 0.96984097924415 0.76415688244811 35.453 6 Cl 0.50189992997209 0.53015902075585 0.23584311755189 35.453 7 Cl 0.49810007002791 0.03015902075585 0.26415688244811 35.453 8 Cl 0.99810007002791 0.46984097924415 0.73584311755189 35.453 *9 Cl 0.85276103416290 0.70529582729929 0.88624380475337 35.453 10 Cl 0.35276103416290 0.79470417270071 0.11375619524663 35.453 11 Cl 0.64723896583710 0.29470417270071 0.38624380475337 35.453 12 Cl 0.14723896583710 0.20529582729929 0.61375619524663 35.453 13 Cl 0.14723896583710 0.29470417270071 0.11375619524663 35.453 14 Cl 0.64723896583710 0.20529582729929 0.88624380475337 35.453 15 Cl 0.35276103416290 0.70529582729929 0.61375619524663 35.453 16 Cl 0.85276103416290 0.79470417270071 0.38624380475337 35.453 *17 Yb 0.73150593251255 0.88910887869930 0.04654056949502 173.054 18 Yb 0.23150593251255 0.61089112130070 0.95345943050498 173.054 19 Yb 0.76849406748745 0.11089112130070 0.54654056949502 173.054 20 Yb 0.26849406748745 0.38910887869930 0.45345943050498 173.054 21 Yb 0.26849406748745 0.11089112130070 0.95345943050498 173.054 22 Yb 0.76849406748745 0.38910887869930 0.04654056949502 173.054 23 Yb 0.23150593251255 0.88910887869930 0.45345943050498 173.054 24 Yb 0.73150593251255 0.61089112130070 0.54654056949502 173.054 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.459128620000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.649266709999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.718665349999999 Atomic positions (fractional): *1 Cl 0.99810007002791 0.03015902075585 0.23584311755189 35.453 > 1 2 Cl 0.49810007002791 0.46984097924415 0.76415688244811 35.453 > 2 3 Cl 0.50189992997209 0.96984097924415 0.73584311755189 35.453 > 3 4 Cl 0.00189992997209 0.53015902075585 0.26415688244811 35.453 > 4 5 Cl 0.00189992997209 0.96984097924415 0.76415688244811 35.453 > 5 6 Cl 0.50189992997209 0.53015902075585 0.23584311755189 35.453 > 6 7 Cl 0.49810007002791 0.03015902075585 0.26415688244811 35.453 > 7 8 Cl 0.99810007002791 0.46984097924415 0.73584311755189 35.453 > 8 *9 Cl 0.85276103416290 0.70529582729929 0.88624380475337 35.453 > 9 10 Cl 0.35276103416290 0.79470417270071 0.11375619524663 35.453 > 10 11 Cl 0.64723896583710 0.29470417270071 0.38624380475337 35.453 > 11 12 Cl 0.14723896583710 0.20529582729929 0.61375619524663 35.453 > 12 13 Cl 0.14723896583710 0.29470417270071 0.11375619524663 35.453 > 13 14 Cl 0.64723896583710 0.20529582729929 0.88624380475337 35.453 > 14 15 Cl 0.35276103416290 0.70529582729929 0.61375619524663 35.453 > 15 16 Cl 0.85276103416290 0.79470417270071 0.38624380475337 35.453 > 16 *17 Yb 0.73150593251255 0.88910887869930 0.04654056949502 173.054 > 17 18 Yb 0.23150593251255 0.61089112130070 0.95345943050498 173.054 > 18 19 Yb 0.76849406748745 0.11089112130070 0.54654056949502 173.054 > 19 20 Yb 0.26849406748745 0.38910887869930 0.45345943050498 173.054 > 20 21 Yb 0.26849406748745 0.11089112130070 0.95345943050498 173.054 > 21 22 Yb 0.76849406748745 0.38910887869930 0.04654056949502 173.054 > 22 23 Yb 0.23150593251255 0.88910887869930 0.45345943050498 173.054 > 23 24 Yb 0.73150593251255 0.61089112130070 0.54654056949502 173.054 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.918257240000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.649266709999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.437330699999999 Atomic positions (fractional): *1 Cl 0.49905003501396 0.03015902075585 0.11792155877595 35.453 > 1 2 Cl 0.99905003501396 0.03015902075585 0.11792155877595 35.453 > 1 3 Cl 0.49905003501396 0.03015902075585 0.61792155877595 35.453 > 1 4 Cl 0.99905003501396 0.03015902075585 0.61792155877595 35.453 > 1 5 Cl 0.24905003501396 0.46984097924415 0.38207844122405 35.453 > 2 6 Cl 0.74905003501396 0.46984097924415 0.38207844122405 35.453 > 2 7 Cl 0.24905003501396 0.46984097924415 0.88207844122405 35.453 > 2 8 Cl 0.74905003501396 0.46984097924415 0.88207844122405 35.453 > 2 9 Cl 0.25094996498604 0.96984097924415 0.36792155877595 35.453 > 3 10 Cl 0.75094996498604 0.96984097924415 0.36792155877595 35.453 > 3 11 Cl 0.25094996498604 0.96984097924415 0.86792155877595 35.453 > 3 12 Cl 0.75094996498604 0.96984097924415 0.86792155877595 35.453 > 3 13 Cl 0.00094996498604 0.53015902075585 0.13207844122405 35.453 > 4 14 Cl 0.50094996498604 0.53015902075585 0.13207844122405 35.453 > 4 15 Cl 0.00094996498604 0.53015902075585 0.63207844122405 35.453 > 4 16 Cl 0.50094996498604 0.53015902075585 0.63207844122405 35.453 > 4 17 Cl 0.00094996498604 0.96984097924415 0.38207844122405 35.453 > 5 18 Cl 0.50094996498604 0.96984097924415 0.38207844122405 35.453 > 5 19 Cl 0.00094996498604 0.96984097924415 0.88207844122405 35.453 > 5 20 Cl 0.50094996498604 0.96984097924415 0.88207844122405 35.453 > 5 21 Cl 0.25094996498604 0.53015902075585 0.11792155877595 35.453 > 6 22 Cl 0.75094996498604 0.53015902075585 0.11792155877595 35.453 > 6 23 Cl 0.25094996498604 0.53015902075585 0.61792155877595 35.453 > 6 24 Cl 0.75094996498604 0.53015902075585 0.61792155877595 35.453 > 6 25 Cl 0.24905003501396 0.03015902075585 0.13207844122405 35.453 > 7 26 Cl 0.74905003501396 0.03015902075585 0.13207844122405 35.453 > 7 27 Cl 0.24905003501396 0.03015902075585 0.63207844122405 35.453 > 7 28 Cl 0.74905003501396 0.03015902075585 0.63207844122405 35.453 > 7 29 Cl 0.49905003501396 0.46984097924415 0.36792155877595 35.453 > 8 30 Cl 0.99905003501396 0.46984097924415 0.36792155877595 35.453 > 8 31 Cl 0.49905003501396 0.46984097924415 0.86792155877595 35.453 > 8 32 Cl 0.99905003501396 0.46984097924415 0.86792155877595 35.453 > 8 *33 Cl 0.42638051708145 0.70529582729929 0.44312190237669 35.453 > 9 34 Cl 0.92638051708145 0.70529582729929 0.44312190237669 35.453 > 9 35 Cl 0.42638051708145 0.70529582729929 0.94312190237669 35.453 > 9 36 Cl 0.92638051708145 0.70529582729929 0.94312190237669 35.453 > 9 37 Cl 0.17638051708145 0.79470417270071 0.05687809762331 35.453 > 10 38 Cl 0.67638051708145 0.79470417270071 0.05687809762331 35.453 > 10 39 Cl 0.17638051708145 0.79470417270071 0.55687809762331 35.453 > 10 40 Cl 0.67638051708145 0.79470417270071 0.55687809762331 35.453 > 10 41 Cl 0.32361948291855 0.29470417270071 0.19312190237669 35.453 > 11 42 Cl 0.82361948291855 0.29470417270071 0.19312190237669 35.453 > 11 43 Cl 0.32361948291855 0.29470417270071 0.69312190237669 35.453 > 11 44 Cl 0.82361948291855 0.29470417270071 0.69312190237669 35.453 > 11 45 Cl 0.07361948291855 0.20529582729929 0.30687809762331 35.453 > 12 46 Cl 0.57361948291855 0.20529582729929 0.30687809762331 35.453 > 12 47 Cl 0.07361948291855 0.20529582729929 0.80687809762331 35.453 > 12 48 Cl 0.57361948291855 0.20529582729929 0.80687809762331 35.453 > 12 49 Cl 0.07361948291855 0.29470417270071 0.05687809762331 35.453 > 13 50 Cl 0.57361948291855 0.29470417270071 0.05687809762331 35.453 > 13 51 Cl 0.07361948291855 0.29470417270071 0.55687809762331 35.453 > 13 52 Cl 0.57361948291855 0.29470417270071 0.55687809762331 35.453 > 13 53 Cl 0.32361948291855 0.20529582729929 0.44312190237669 35.453 > 14 54 Cl 0.82361948291855 0.20529582729929 0.44312190237669 35.453 > 14 55 Cl 0.32361948291855 0.20529582729929 0.94312190237669 35.453 > 14 56 Cl 0.82361948291855 0.20529582729929 0.94312190237669 35.453 > 14 57 Cl 0.17638051708145 0.70529582729929 0.30687809762331 35.453 > 15 58 Cl 0.67638051708145 0.70529582729929 0.30687809762331 35.453 > 15 59 Cl 0.17638051708145 0.70529582729929 0.80687809762331 35.453 > 15 60 Cl 0.67638051708145 0.70529582729929 0.80687809762331 35.453 > 15 61 Cl 0.42638051708145 0.79470417270071 0.19312190237669 35.453 > 16 62 Cl 0.92638051708145 0.79470417270071 0.19312190237669 35.453 > 16 63 Cl 0.42638051708145 0.79470417270071 0.69312190237669 35.453 > 16 64 Cl 0.92638051708145 0.79470417270071 0.69312190237669 35.453 > 16 *65 Yb 0.36575296625627 0.88910887869930 0.02327028474751 173.054 > 17 66 Yb 0.86575296625627 0.88910887869930 0.02327028474751 173.054 > 17 67 Yb 0.36575296625627 0.88910887869930 0.52327028474751 173.054 > 17 68 Yb 0.86575296625627 0.88910887869930 0.52327028474751 173.054 > 17 69 Yb 0.11575296625627 0.61089112130070 0.47672971525249 173.054 > 18 70 Yb 0.61575296625627 0.61089112130070 0.47672971525249 173.054 > 18 71 Yb 0.11575296625627 0.61089112130070 0.97672971525249 173.054 > 18 72 Yb 0.61575296625627 0.61089112130070 0.97672971525249 173.054 > 18 73 Yb 0.38424703374373 0.11089112130070 0.27327028474751 173.054 > 19 74 Yb 0.88424703374373 0.11089112130070 0.27327028474751 173.054 > 19 75 Yb 0.38424703374373 0.11089112130070 0.77327028474751 173.054 > 19 76 Yb 0.88424703374373 0.11089112130070 0.77327028474751 173.054 > 19 77 Yb 0.13424703374373 0.38910887869930 0.22672971525249 173.054 > 20 78 Yb 0.63424703374373 0.38910887869930 0.22672971525249 173.054 > 20 79 Yb 0.13424703374373 0.38910887869930 0.72672971525249 173.054 > 20 80 Yb 0.63424703374373 0.38910887869930 0.72672971525249 173.054 > 20 81 Yb 0.13424703374373 0.11089112130070 0.47672971525249 173.054 > 21 82 Yb 0.63424703374373 0.11089112130070 0.47672971525249 173.054 > 21 83 Yb 0.13424703374373 0.11089112130070 0.97672971525249 173.054 > 21 84 Yb 0.63424703374373 0.11089112130070 0.97672971525249 173.054 > 21 85 Yb 0.38424703374373 0.38910887869930 0.02327028474751 173.054 > 22 86 Yb 0.88424703374373 0.38910887869930 0.02327028474751 173.054 > 22 87 Yb 0.38424703374373 0.38910887869930 0.52327028474751 173.054 > 22 88 Yb 0.88424703374373 0.38910887869930 0.52327028474751 173.054 > 22 89 Yb 0.11575296625627 0.88910887869930 0.22672971525249 173.054 > 23 90 Yb 0.61575296625627 0.88910887869930 0.22672971525249 173.054 > 23 91 Yb 0.11575296625627 0.88910887869930 0.72672971525249 173.054 > 23 92 Yb 0.61575296625627 0.88910887869930 0.72672971525249 173.054 > 23 93 Yb 0.36575296625627 0.61089112130070 0.27327028474751 173.054 > 24 94 Yb 0.86575296625627 0.61089112130070 0.27327028474751 173.054 > 24 95 Yb 0.36575296625627 0.61089112130070 0.77327028474751 173.054 > 24 96 Yb 0.86575296625627 0.61089112130070 0.77327028474751 173.054 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3306910 0.0000000 0.0000000 0.0000000 3.3243592 0.0000000 0.0000000 0.0000000 3.3481114 -------------------------- Born effective charges -------------------------- 1 Cl -1.2599293 -0.0207166 0.1522637 -0.0254426 -1.0843253 0.0261100 0.1379098 0.0169802 -1.3536515 2 Cl -1.2599293 0.0207166 -0.1522637 0.0254426 -1.0843253 0.0261100 -0.1379098 0.0169802 -1.3536515 3 Cl -1.2599293 -0.0207166 -0.1522637 -0.0254426 -1.0843253 -0.0261100 -0.1379098 -0.0169802 -1.3536515 4 Cl -1.2599293 0.0207166 0.1522637 0.0254426 -1.0843253 -0.0261100 0.1379098 -0.0169802 -1.3536515 5 Cl -1.2599293 -0.0207166 0.1522637 -0.0254426 -1.0843253 0.0261100 0.1379098 0.0169802 -1.3536515 6 Cl -1.2599293 0.0207166 -0.1522637 0.0254426 -1.0843253 0.0261100 -0.1379098 0.0169802 -1.3536515 7 Cl -1.2599293 -0.0207166 -0.1522637 -0.0254426 -1.0843253 -0.0261100 -0.1379098 -0.0169802 -1.3536515 8 Cl -1.2599293 0.0207166 0.1522637 0.0254426 -1.0843253 -0.0261100 0.1379098 -0.0169802 -1.3536515 9 Cl -1.1853709 0.2423957 -0.1363138 0.2623772 -1.3702006 -0.3488549 -0.1409451 -0.3695118 -1.1620769 10 Cl -1.1853709 -0.2423957 0.1363138 -0.2623772 -1.3702006 -0.3488549 0.1409451 -0.3695118 -1.1620769 11 Cl -1.1853709 0.2423957 0.1363138 0.2623772 -1.3702006 0.3488549 0.1409451 0.3695118 -1.1620769 12 Cl -1.1853709 -0.2423957 -0.1363138 -0.2623772 -1.3702006 0.3488549 -0.1409451 0.3695118 -1.1620769 13 Cl -1.1853709 0.2423957 -0.1363138 0.2623772 -1.3702006 -0.3488549 -0.1409451 -0.3695118 -1.1620769 14 Cl -1.1853709 -0.2423957 0.1363138 -0.2623772 -1.3702006 -0.3488549 0.1409451 -0.3695118 -1.1620769 15 Cl -1.1853709 0.2423957 0.1363138 0.2623772 -1.3702006 0.3488549 0.1409451 0.3695118 -1.1620769 16 Cl -1.1853709 -0.2423957 -0.1363138 -0.2623772 -1.3702006 0.3488549 -0.1409451 0.3695118 -1.1620769 17 Yb 2.4453002 -0.0638290 0.0003648 -0.0112345 2.4545258 -0.0957403 -0.0325436 -0.0031678 2.5157284 18 Yb 2.4453002 0.0638290 -0.0003648 0.0112345 2.4545258 -0.0957403 0.0325436 -0.0031678 2.5157284 19 Yb 2.4453002 -0.0638290 -0.0003648 -0.0112345 2.4545258 0.0957403 0.0325436 0.0031678 2.5157284 20 Yb 2.4453002 0.0638290 0.0003648 0.0112345 2.4545258 0.0957403 -0.0325436 0.0031678 2.5157284 21 Yb 2.4453002 -0.0638290 0.0003648 -0.0112345 2.4545258 -0.0957403 -0.0325436 -0.0031678 2.5157284 22 Yb 2.4453002 0.0638290 -0.0003648 0.0112345 2.4545258 -0.0957403 0.0325436 -0.0031678 2.5157284 23 Yb 2.4453002 -0.0638290 -0.0003648 -0.0112345 2.4545258 0.0957403 0.0325436 0.0031678 2.5157284 24 Yb 2.4453002 0.0638290 0.0003648 0.0112345 2.4545258 0.0957403 -0.0325436 0.0031678 2.5157284 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1368 Number of blocks in projector: 1368 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 168 Use standard eigh solver. Tree of FC basis block matrices: - (1368, 1341), data: False |-- (168, 165), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (288, 282), data: True |-- (288, 282), data: True |-- (288, 282), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 400 - Time: 0.300 Solver_block: 200 / 400 - Time: 0.284 Solver_block: 300 / 400 - Time: 0.286 Solver_block: 400 / 400 - Time: 0.285 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.180 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1368 Number of blocks in projector: 1368 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 168 Use standard eigh solver. Tree of FC basis block matrices: - (1368, 1341), data: False |-- (168, 165), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (288, 282), data: True |-- (288, 282), data: True |-- (288, 282), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 05:21:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:21:47]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.459128620000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.649266709999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.718665349999999 Atomic positions (fractional): 1 Cl 0.99810007002791 0.03015902075585 0.23584311755189 35.453 2 Cl 0.49810007002791 0.46984097924415 0.76415688244811 35.453 3 Cl 0.50189992997209 0.96984097924415 0.73584311755189 35.453 4 Cl 0.00189992997209 0.53015902075585 0.26415688244811 35.453 5 Cl 0.00189992997209 0.96984097924415 0.76415688244811 35.453 6 Cl 0.50189992997209 0.53015902075585 0.23584311755189 35.453 7 Cl 0.49810007002791 0.03015902075585 0.26415688244811 35.453 8 Cl 0.99810007002791 0.46984097924415 0.73584311755189 35.453 9 Cl 0.85276103416290 0.70529582729929 0.88624380475337 35.453 10 Cl 0.35276103416290 0.79470417270071 0.11375619524663 35.453 11 Cl 0.64723896583710 0.29470417270071 0.38624380475337 35.453 12 Cl 0.14723896583710 0.20529582729929 0.61375619524663 35.453 13 Cl 0.14723896583710 0.29470417270071 0.11375619524663 35.453 14 Cl 0.64723896583710 0.20529582729929 0.88624380475337 35.453 15 Cl 0.35276103416290 0.70529582729929 0.61375619524663 35.453 16 Cl 0.85276103416290 0.79470417270071 0.38624380475337 35.453 17 Yb 0.73150593251255 0.88910887869930 0.04654056949502 173.054 18 Yb 0.23150593251255 0.61089112130070 0.95345943050498 173.054 19 Yb 0.76849406748745 0.11089112130070 0.54654056949502 173.054 20 Yb 0.26849406748745 0.38910887869930 0.45345943050498 173.054 21 Yb 0.26849406748745 0.11089112130070 0.95345943050498 173.054 22 Yb 0.76849406748745 0.38910887869930 0.04654056949502 173.054 23 Yb 0.23150593251255 0.88910887869930 0.45345943050498 173.054 24 Yb 0.73150593251255 0.61089112130070 0.54654056949502 173.054 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.918257240000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.649266709999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.437330699999999 Atomic positions (fractional): 1 Cl 0.49905003501396 0.03015902075585 0.11792155877595 35.453 > 1 2 Cl 0.99905003501396 0.03015902075585 0.11792155877595 35.453 > 1 3 Cl 0.49905003501396 0.03015902075585 0.61792155877595 35.453 > 1 4 Cl 0.99905003501396 0.03015902075585 0.61792155877595 35.453 > 1 5 Cl 0.24905003501396 0.46984097924415 0.38207844122405 35.453 > 5 6 Cl 0.74905003501396 0.46984097924415 0.38207844122405 35.453 > 5 7 Cl 0.24905003501396 0.46984097924415 0.88207844122405 35.453 > 5 8 Cl 0.74905003501396 0.46984097924415 0.88207844122405 35.453 > 5 9 Cl 0.25094996498604 0.96984097924415 0.36792155877595 35.453 > 9 10 Cl 0.75094996498604 0.96984097924415 0.36792155877595 35.453 > 9 11 Cl 0.25094996498604 0.96984097924415 0.86792155877595 35.453 > 9 12 Cl 0.75094996498604 0.96984097924415 0.86792155877595 35.453 > 9 13 Cl 0.00094996498604 0.53015902075585 0.13207844122405 35.453 > 13 14 Cl 0.50094996498604 0.53015902075585 0.13207844122405 35.453 > 13 15 Cl 0.00094996498604 0.53015902075585 0.63207844122405 35.453 > 13 16 Cl 0.50094996498604 0.53015902075585 0.63207844122405 35.453 > 13 17 Cl 0.00094996498604 0.96984097924415 0.38207844122405 35.453 > 17 18 Cl 0.50094996498604 0.96984097924415 0.38207844122405 35.453 > 17 19 Cl 0.00094996498604 0.96984097924415 0.88207844122405 35.453 > 17 20 Cl 0.50094996498604 0.96984097924415 0.88207844122405 35.453 > 17 21 Cl 0.25094996498604 0.53015902075585 0.11792155877595 35.453 > 21 22 Cl 0.75094996498604 0.53015902075585 0.11792155877595 35.453 > 21 23 Cl 0.25094996498604 0.53015902075585 0.61792155877595 35.453 > 21 24 Cl 0.75094996498604 0.53015902075585 0.61792155877595 35.453 > 21 25 Cl 0.24905003501396 0.03015902075585 0.13207844122405 35.453 > 25 26 Cl 0.74905003501396 0.03015902075585 0.13207844122405 35.453 > 25 27 Cl 0.24905003501396 0.03015902075585 0.63207844122405 35.453 > 25 28 Cl 0.74905003501396 0.03015902075585 0.63207844122405 35.453 > 25 29 Cl 0.49905003501396 0.46984097924415 0.36792155877595 35.453 > 29 30 Cl 0.99905003501396 0.46984097924415 0.36792155877595 35.453 > 29 31 Cl 0.49905003501396 0.46984097924415 0.86792155877595 35.453 > 29 32 Cl 0.99905003501396 0.46984097924415 0.86792155877595 35.453 > 29 33 Cl 0.42638051708145 0.70529582729929 0.44312190237669 35.453 > 33 34 Cl 0.92638051708145 0.70529582729929 0.44312190237669 35.453 > 33 35 Cl 0.42638051708145 0.70529582729929 0.94312190237669 35.453 > 33 36 Cl 0.92638051708145 0.70529582729929 0.94312190237669 35.453 > 33 37 Cl 0.17638051708145 0.79470417270071 0.05687809762331 35.453 > 37 38 Cl 0.67638051708145 0.79470417270071 0.05687809762331 35.453 > 37 39 Cl 0.17638051708145 0.79470417270071 0.55687809762331 35.453 > 37 40 Cl 0.67638051708145 0.79470417270071 0.55687809762331 35.453 > 37 41 Cl 0.32361948291855 0.29470417270071 0.19312190237669 35.453 > 41 42 Cl 0.82361948291855 0.29470417270071 0.19312190237669 35.453 > 41 43 Cl 0.32361948291855 0.29470417270071 0.69312190237669 35.453 > 41 44 Cl 0.82361948291855 0.29470417270071 0.69312190237669 35.453 > 41 45 Cl 0.07361948291855 0.20529582729929 0.30687809762331 35.453 > 45 46 Cl 0.57361948291855 0.20529582729929 0.30687809762331 35.453 > 45 47 Cl 0.07361948291855 0.20529582729929 0.80687809762331 35.453 > 45 48 Cl 0.57361948291855 0.20529582729929 0.80687809762331 35.453 > 45 49 Cl 0.07361948291855 0.29470417270071 0.05687809762331 35.453 > 49 50 Cl 0.57361948291855 0.29470417270071 0.05687809762331 35.453 > 49 51 Cl 0.07361948291855 0.29470417270071 0.55687809762331 35.453 > 49 52 Cl 0.57361948291855 0.29470417270071 0.55687809762331 35.453 > 49 53 Cl 0.32361948291855 0.20529582729929 0.44312190237669 35.453 > 53 54 Cl 0.82361948291855 0.20529582729929 0.44312190237669 35.453 > 53 55 Cl 0.32361948291855 0.20529582729929 0.94312190237669 35.453 > 53 56 Cl 0.82361948291855 0.20529582729929 0.94312190237669 35.453 > 53 57 Cl 0.17638051708145 0.70529582729929 0.30687809762331 35.453 > 57 58 Cl 0.67638051708145 0.70529582729929 0.30687809762331 35.453 > 57 59 Cl 0.17638051708145 0.70529582729929 0.80687809762331 35.453 > 57 60 Cl 0.67638051708145 0.70529582729929 0.80687809762331 35.453 > 57 61 Cl 0.42638051708145 0.79470417270071 0.19312190237669 35.453 > 61 62 Cl 0.92638051708145 0.79470417270071 0.19312190237669 35.453 > 61 63 Cl 0.42638051708145 0.79470417270071 0.69312190237669 35.453 > 61 64 Cl 0.92638051708145 0.79470417270071 0.69312190237669 35.453 > 61 65 Yb 0.36575296625627 0.88910887869930 0.02327028474751 173.054 > 65 66 Yb 0.86575296625627 0.88910887869930 0.02327028474751 173.054 > 65 67 Yb 0.36575296625627 0.88910887869930 0.52327028474751 173.054 > 65 68 Yb 0.86575296625627 0.88910887869930 0.52327028474751 173.054 > 65 69 Yb 0.11575296625627 0.61089112130070 0.47672971525249 173.054 > 69 70 Yb 0.61575296625627 0.61089112130070 0.47672971525249 173.054 > 69 71 Yb 0.11575296625627 0.61089112130070 0.97672971525249 173.054 > 69 72 Yb 0.61575296625627 0.61089112130070 0.97672971525249 173.054 > 69 73 Yb 0.38424703374373 0.11089112130070 0.27327028474751 173.054 > 73 74 Yb 0.88424703374373 0.11089112130070 0.27327028474751 173.054 > 73 75 Yb 0.38424703374373 0.11089112130070 0.77327028474751 173.054 > 73 76 Yb 0.88424703374373 0.11089112130070 0.77327028474751 173.054 > 73 77 Yb 0.13424703374373 0.38910887869930 0.22672971525249 173.054 > 77 78 Yb 0.63424703374373 0.38910887869930 0.22672971525249 173.054 > 77 79 Yb 0.13424703374373 0.38910887869930 0.72672971525249 173.054 > 77 80 Yb 0.63424703374373 0.38910887869930 0.72672971525249 173.054 > 77 81 Yb 0.13424703374373 0.11089112130070 0.47672971525249 173.054 > 81 82 Yb 0.63424703374373 0.11089112130070 0.47672971525249 173.054 > 81 83 Yb 0.13424703374373 0.11089112130070 0.97672971525249 173.054 > 81 84 Yb 0.63424703374373 0.11089112130070 0.97672971525249 173.054 > 81 85 Yb 0.38424703374373 0.38910887869930 0.02327028474751 173.054 > 85 86 Yb 0.88424703374373 0.38910887869930 0.02327028474751 173.054 > 85 87 Yb 0.38424703374373 0.38910887869930 0.52327028474751 173.054 > 85 88 Yb 0.88424703374373 0.38910887869930 0.52327028474751 173.054 > 85 89 Yb 0.11575296625627 0.88910887869930 0.22672971525249 173.054 > 89 90 Yb 0.61575296625627 0.88910887869930 0.22672971525249 173.054 > 89 91 Yb 0.11575296625627 0.88910887869930 0.72672971525249 173.054 > 89 92 Yb 0.61575296625627 0.88910887869930 0.72672971525249 173.054 > 89 93 Yb 0.36575296625627 0.61089112130070 0.27327028474751 173.054 > 93 94 Yb 0.86575296625627 0.61089112130070 0.27327028474751 173.054 > 93 95 Yb 0.36575296625627 0.61089112130070 0.77327028474751 173.054 > 93 96 Yb 0.86575296625627 0.61089112130070 0.77327028474751 173.054 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3306910 0.0000000 0.0000000 0.0000000 3.3243592 0.0000000 0.0000000 0.0000000 3.3481114 -------------------------- Born effective charges -------------------------- 1 Cl -1.2599293 -0.0207166 0.1522637 -0.0254426 -1.0843253 0.0261100 0.1379098 0.0169802 -1.3536515 2 Cl -1.2599293 0.0207166 -0.1522637 0.0254426 -1.0843253 0.0261100 -0.1379098 0.0169802 -1.3536515 3 Cl -1.2599293 -0.0207166 -0.1522637 -0.0254426 -1.0843253 -0.0261100 -0.1379098 -0.0169802 -1.3536515 4 Cl -1.2599293 0.0207166 0.1522637 0.0254426 -1.0843253 -0.0261100 0.1379098 -0.0169802 -1.3536515 5 Cl -1.2599293 -0.0207166 0.1522637 -0.0254426 -1.0843253 0.0261100 0.1379098 0.0169802 -1.3536515 6 Cl -1.2599293 0.0207166 -0.1522637 0.0254426 -1.0843253 0.0261100 -0.1379098 0.0169802 -1.3536515 7 Cl -1.2599293 -0.0207166 -0.1522637 -0.0254426 -1.0843253 -0.0261100 -0.1379098 -0.0169802 -1.3536515 8 Cl -1.2599293 0.0207166 0.1522637 0.0254426 -1.0843253 -0.0261100 0.1379098 -0.0169802 -1.3536515 9 Cl -1.1853709 0.2423957 -0.1363138 0.2623772 -1.3702006 -0.3488549 -0.1409451 -0.3695118 -1.1620769 10 Cl -1.1853709 -0.2423957 0.1363138 -0.2623772 -1.3702006 -0.3488549 0.1409451 -0.3695118 -1.1620769 11 Cl -1.1853709 0.2423957 0.1363138 0.2623772 -1.3702006 0.3488549 0.1409451 0.3695118 -1.1620769 12 Cl -1.1853709 -0.2423957 -0.1363138 -0.2623772 -1.3702006 0.3488549 -0.1409451 0.3695118 -1.1620769 13 Cl -1.1853709 0.2423957 -0.1363138 0.2623772 -1.3702006 -0.3488549 -0.1409451 -0.3695118 -1.1620769 14 Cl -1.1853709 -0.2423957 0.1363138 -0.2623772 -1.3702006 -0.3488549 0.1409451 -0.3695118 -1.1620769 15 Cl -1.1853709 0.2423957 0.1363138 0.2623772 -1.3702006 0.3488549 0.1409451 0.3695118 -1.1620769 16 Cl -1.1853709 -0.2423957 -0.1363138 -0.2623772 -1.3702006 0.3488549 -0.1409451 0.3695118 -1.1620769 17 Yb 2.4453002 -0.0638290 0.0003648 -0.0112345 2.4545258 -0.0957403 -0.0325436 -0.0031678 2.5157284 18 Yb 2.4453002 0.0638290 -0.0003648 0.0112345 2.4545258 -0.0957403 0.0325436 -0.0031678 2.5157284 19 Yb 2.4453002 -0.0638290 -0.0003648 -0.0112345 2.4545258 0.0957403 0.0325436 0.0031678 2.5157284 20 Yb 2.4453002 0.0638290 0.0003648 0.0112345 2.4545258 0.0957403 -0.0325436 0.0031678 2.5157284 21 Yb 2.4453002 -0.0638290 0.0003648 -0.0112345 2.4545258 -0.0957403 -0.0325436 -0.0031678 2.5157284 22 Yb 2.4453002 0.0638290 -0.0003648 0.0112345 2.4545258 -0.0957403 0.0325436 -0.0031678 2.5157284 23 Yb 2.4453002 -0.0638290 -0.0003648 -0.0112345 2.4545258 0.0957403 0.0325436 0.0031678 2.5157284 24 Yb 2.4453002 0.0638290 0.0003648 0.0112345 2.4545258 0.0957403 -0.0325436 0.0031678 2.5157284 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (xy) -0.00000001 (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 05:21:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:21:57]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.459128620000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.649266709999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.718665349999999 Atomic positions (fractional): 1 Cl 0.99810007002791 0.03015902075585 0.23584311755189 35.453 2 Cl 0.49810007002791 0.46984097924415 0.76415688244811 35.453 3 Cl 0.50189992997209 0.96984097924415 0.73584311755189 35.453 4 Cl 0.00189992997209 0.53015902075585 0.26415688244811 35.453 5 Cl 0.00189992997209 0.96984097924415 0.76415688244811 35.453 6 Cl 0.50189992997209 0.53015902075585 0.23584311755189 35.453 7 Cl 0.49810007002791 0.03015902075585 0.26415688244811 35.453 8 Cl 0.99810007002791 0.46984097924415 0.73584311755189 35.453 9 Cl 0.85276103416290 0.70529582729929 0.88624380475337 35.453 10 Cl 0.35276103416290 0.79470417270071 0.11375619524663 35.453 11 Cl 0.64723896583710 0.29470417270071 0.38624380475337 35.453 12 Cl 0.14723896583710 0.20529582729929 0.61375619524663 35.453 13 Cl 0.14723896583710 0.29470417270071 0.11375619524663 35.453 14 Cl 0.64723896583710 0.20529582729929 0.88624380475337 35.453 15 Cl 0.35276103416290 0.70529582729929 0.61375619524663 35.453 16 Cl 0.85276103416290 0.79470417270071 0.38624380475337 35.453 17 Yb 0.73150593251255 0.88910887869930 0.04654056949502 173.054 18 Yb 0.23150593251255 0.61089112130070 0.95345943050498 173.054 19 Yb 0.76849406748745 0.11089112130070 0.54654056949502 173.054 20 Yb 0.26849406748745 0.38910887869930 0.45345943050498 173.054 21 Yb 0.26849406748745 0.11089112130070 0.95345943050498 173.054 22 Yb 0.76849406748745 0.38910887869930 0.04654056949502 173.054 23 Yb 0.23150593251255 0.88910887869930 0.45345943050498 173.054 24 Yb 0.73150593251255 0.61089112130070 0.54654056949502 173.054 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.918257240000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.649266709999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.437330699999999 Atomic positions (fractional): 1 Cl 0.49905003501396 0.03015902075585 0.11792155877595 35.453 > 1 2 Cl 0.99905003501396 0.03015902075585 0.11792155877595 35.453 > 1 3 Cl 0.49905003501396 0.03015902075585 0.61792155877595 35.453 > 1 4 Cl 0.99905003501396 0.03015902075585 0.61792155877595 35.453 > 1 5 Cl 0.24905003501396 0.46984097924415 0.38207844122405 35.453 > 5 6 Cl 0.74905003501396 0.46984097924415 0.38207844122405 35.453 > 5 7 Cl 0.24905003501396 0.46984097924415 0.88207844122405 35.453 > 5 8 Cl 0.74905003501396 0.46984097924415 0.88207844122405 35.453 > 5 9 Cl 0.25094996498604 0.96984097924415 0.36792155877595 35.453 > 9 10 Cl 0.75094996498604 0.96984097924415 0.36792155877595 35.453 > 9 11 Cl 0.25094996498604 0.96984097924415 0.86792155877595 35.453 > 9 12 Cl 0.75094996498604 0.96984097924415 0.86792155877595 35.453 > 9 13 Cl 0.00094996498604 0.53015902075585 0.13207844122405 35.453 > 13 14 Cl 0.50094996498604 0.53015902075585 0.13207844122405 35.453 > 13 15 Cl 0.00094996498604 0.53015902075585 0.63207844122405 35.453 > 13 16 Cl 0.50094996498604 0.53015902075585 0.63207844122405 35.453 > 13 17 Cl 0.00094996498604 0.96984097924415 0.38207844122405 35.453 > 17 18 Cl 0.50094996498604 0.96984097924415 0.38207844122405 35.453 > 17 19 Cl 0.00094996498604 0.96984097924415 0.88207844122405 35.453 > 17 20 Cl 0.50094996498604 0.96984097924415 0.88207844122405 35.453 > 17 21 Cl 0.25094996498604 0.53015902075585 0.11792155877595 35.453 > 21 22 Cl 0.75094996498604 0.53015902075585 0.11792155877595 35.453 > 21 23 Cl 0.25094996498604 0.53015902075585 0.61792155877595 35.453 > 21 24 Cl 0.75094996498604 0.53015902075585 0.61792155877595 35.453 > 21 25 Cl 0.24905003501396 0.03015902075585 0.13207844122405 35.453 > 25 26 Cl 0.74905003501396 0.03015902075585 0.13207844122405 35.453 > 25 27 Cl 0.24905003501396 0.03015902075585 0.63207844122405 35.453 > 25 28 Cl 0.74905003501396 0.03015902075585 0.63207844122405 35.453 > 25 29 Cl 0.49905003501396 0.46984097924415 0.36792155877595 35.453 > 29 30 Cl 0.99905003501396 0.46984097924415 0.36792155877595 35.453 > 29 31 Cl 0.49905003501396 0.46984097924415 0.86792155877595 35.453 > 29 32 Cl 0.99905003501396 0.46984097924415 0.86792155877595 35.453 > 29 33 Cl 0.42638051708145 0.70529582729929 0.44312190237669 35.453 > 33 34 Cl 0.92638051708145 0.70529582729929 0.44312190237669 35.453 > 33 35 Cl 0.42638051708145 0.70529582729929 0.94312190237669 35.453 > 33 36 Cl 0.92638051708145 0.70529582729929 0.94312190237669 35.453 > 33 37 Cl 0.17638051708145 0.79470417270071 0.05687809762331 35.453 > 37 38 Cl 0.67638051708145 0.79470417270071 0.05687809762331 35.453 > 37 39 Cl 0.17638051708145 0.79470417270071 0.55687809762331 35.453 > 37 40 Cl 0.67638051708145 0.79470417270071 0.55687809762331 35.453 > 37 41 Cl 0.32361948291855 0.29470417270071 0.19312190237669 35.453 > 41 42 Cl 0.82361948291855 0.29470417270071 0.19312190237669 35.453 > 41 43 Cl 0.32361948291855 0.29470417270071 0.69312190237669 35.453 > 41 44 Cl 0.82361948291855 0.29470417270071 0.69312190237669 35.453 > 41 45 Cl 0.07361948291855 0.20529582729929 0.30687809762331 35.453 > 45 46 Cl 0.57361948291855 0.20529582729929 0.30687809762331 35.453 > 45 47 Cl 0.07361948291855 0.20529582729929 0.80687809762331 35.453 > 45 48 Cl 0.57361948291855 0.20529582729929 0.80687809762331 35.453 > 45 49 Cl 0.07361948291855 0.29470417270071 0.05687809762331 35.453 > 49 50 Cl 0.57361948291855 0.29470417270071 0.05687809762331 35.453 > 49 51 Cl 0.07361948291855 0.29470417270071 0.55687809762331 35.453 > 49 52 Cl 0.57361948291855 0.29470417270071 0.55687809762331 35.453 > 49 53 Cl 0.32361948291855 0.20529582729929 0.44312190237669 35.453 > 53 54 Cl 0.82361948291855 0.20529582729929 0.44312190237669 35.453 > 53 55 Cl 0.32361948291855 0.20529582729929 0.94312190237669 35.453 > 53 56 Cl 0.82361948291855 0.20529582729929 0.94312190237669 35.453 > 53 57 Cl 0.17638051708145 0.70529582729929 0.30687809762331 35.453 > 57 58 Cl 0.67638051708145 0.70529582729929 0.30687809762331 35.453 > 57 59 Cl 0.17638051708145 0.70529582729929 0.80687809762331 35.453 > 57 60 Cl 0.67638051708145 0.70529582729929 0.80687809762331 35.453 > 57 61 Cl 0.42638051708145 0.79470417270071 0.19312190237669 35.453 > 61 62 Cl 0.92638051708145 0.79470417270071 0.19312190237669 35.453 > 61 63 Cl 0.42638051708145 0.79470417270071 0.69312190237669 35.453 > 61 64 Cl 0.92638051708145 0.79470417270071 0.69312190237669 35.453 > 61 65 Yb 0.36575296625627 0.88910887869930 0.02327028474751 173.054 > 65 66 Yb 0.86575296625627 0.88910887869930 0.02327028474751 173.054 > 65 67 Yb 0.36575296625627 0.88910887869930 0.52327028474751 173.054 > 65 68 Yb 0.86575296625627 0.88910887869930 0.52327028474751 173.054 > 65 69 Yb 0.11575296625627 0.61089112130070 0.47672971525249 173.054 > 69 70 Yb 0.61575296625627 0.61089112130070 0.47672971525249 173.054 > 69 71 Yb 0.11575296625627 0.61089112130070 0.97672971525249 173.054 > 69 72 Yb 0.61575296625627 0.61089112130070 0.97672971525249 173.054 > 69 73 Yb 0.38424703374373 0.11089112130070 0.27327028474751 173.054 > 73 74 Yb 0.88424703374373 0.11089112130070 0.27327028474751 173.054 > 73 75 Yb 0.38424703374373 0.11089112130070 0.77327028474751 173.054 > 73 76 Yb 0.88424703374373 0.11089112130070 0.77327028474751 173.054 > 73 77 Yb 0.13424703374373 0.38910887869930 0.22672971525249 173.054 > 77 78 Yb 0.63424703374373 0.38910887869930 0.22672971525249 173.054 > 77 79 Yb 0.13424703374373 0.38910887869930 0.72672971525249 173.054 > 77 80 Yb 0.63424703374373 0.38910887869930 0.72672971525249 173.054 > 77 81 Yb 0.13424703374373 0.11089112130070 0.47672971525249 173.054 > 81 82 Yb 0.63424703374373 0.11089112130070 0.47672971525249 173.054 > 81 83 Yb 0.13424703374373 0.11089112130070 0.97672971525249 173.054 > 81 84 Yb 0.63424703374373 0.11089112130070 0.97672971525249 173.054 > 81 85 Yb 0.38424703374373 0.38910887869930 0.02327028474751 173.054 > 85 86 Yb 0.88424703374373 0.38910887869930 0.02327028474751 173.054 > 85 87 Yb 0.38424703374373 0.38910887869930 0.52327028474751 173.054 > 85 88 Yb 0.88424703374373 0.38910887869930 0.52327028474751 173.054 > 85 89 Yb 0.11575296625627 0.88910887869930 0.22672971525249 173.054 > 89 90 Yb 0.61575296625627 0.88910887869930 0.22672971525249 173.054 > 89 91 Yb 0.11575296625627 0.88910887869930 0.72672971525249 173.054 > 89 92 Yb 0.61575296625627 0.88910887869930 0.72672971525249 173.054 > 89 93 Yb 0.36575296625627 0.61089112130070 0.27327028474751 173.054 > 93 94 Yb 0.86575296625627 0.61089112130070 0.27327028474751 173.054 > 93 95 Yb 0.36575296625627 0.61089112130070 0.77327028474751 173.054 > 93 96 Yb 0.86575296625627 0.61089112130070 0.77327028474751 173.054 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.3306910 0.0000000 0.0000000 0.0000000 3.3243592 0.0000000 0.0000000 0.0000000 3.3481114 -------------------------- Born effective charges -------------------------- 1 Cl -1.2599293 -0.0207166 0.1522637 -0.0254426 -1.0843253 0.0261100 0.1379098 0.0169802 -1.3536515 2 Cl -1.2599293 0.0207166 -0.1522637 0.0254426 -1.0843253 0.0261100 -0.1379098 0.0169802 -1.3536515 3 Cl -1.2599293 -0.0207166 -0.1522637 -0.0254426 -1.0843253 -0.0261100 -0.1379098 -0.0169802 -1.3536515 4 Cl -1.2599293 0.0207166 0.1522637 0.0254426 -1.0843253 -0.0261100 0.1379098 -0.0169802 -1.3536515 5 Cl -1.2599293 -0.0207166 0.1522637 -0.0254426 -1.0843253 0.0261100 0.1379098 0.0169802 -1.3536515 6 Cl -1.2599293 0.0207166 -0.1522637 0.0254426 -1.0843253 0.0261100 -0.1379098 0.0169802 -1.3536515 7 Cl -1.2599293 -0.0207166 -0.1522637 -0.0254426 -1.0843253 -0.0261100 -0.1379098 -0.0169802 -1.3536515 8 Cl -1.2599293 0.0207166 0.1522637 0.0254426 -1.0843253 -0.0261100 0.1379098 -0.0169802 -1.3536515 9 Cl -1.1853709 0.2423957 -0.1363138 0.2623772 -1.3702006 -0.3488549 -0.1409451 -0.3695118 -1.1620769 10 Cl -1.1853709 -0.2423957 0.1363138 -0.2623772 -1.3702006 -0.3488549 0.1409451 -0.3695118 -1.1620769 11 Cl -1.1853709 0.2423957 0.1363138 0.2623772 -1.3702006 0.3488549 0.1409451 0.3695118 -1.1620769 12 Cl -1.1853709 -0.2423957 -0.1363138 -0.2623772 -1.3702006 0.3488549 -0.1409451 0.3695118 -1.1620769 13 Cl -1.1853709 0.2423957 -0.1363138 0.2623772 -1.3702006 -0.3488549 -0.1409451 -0.3695118 -1.1620769 14 Cl -1.1853709 -0.2423957 0.1363138 -0.2623772 -1.3702006 -0.3488549 0.1409451 -0.3695118 -1.1620769 15 Cl -1.1853709 0.2423957 0.1363138 0.2623772 -1.3702006 0.3488549 0.1409451 0.3695118 -1.1620769 16 Cl -1.1853709 -0.2423957 -0.1363138 -0.2623772 -1.3702006 0.3488549 -0.1409451 0.3695118 -1.1620769 17 Yb 2.4453002 -0.0638290 0.0003648 -0.0112345 2.4545258 -0.0957403 -0.0325436 -0.0031678 2.5157284 18 Yb 2.4453002 0.0638290 -0.0003648 0.0112345 2.4545258 -0.0957403 0.0325436 -0.0031678 2.5157284 19 Yb 2.4453002 -0.0638290 -0.0003648 -0.0112345 2.4545258 0.0957403 0.0325436 0.0031678 2.5157284 20 Yb 2.4453002 0.0638290 0.0003648 0.0112345 2.4545258 0.0957403 -0.0325436 0.0031678 2.5157284 21 Yb 2.4453002 -0.0638290 0.0003648 -0.0112345 2.4545258 -0.0957403 -0.0325436 -0.0031678 2.5157284 22 Yb 2.4453002 0.0638290 -0.0003648 0.0112345 2.4545258 -0.0957403 0.0325436 -0.0031678 2.5157284 23 Yb 2.4453002 -0.0638290 -0.0003648 -0.0112345 2.4545258 0.0957403 0.0325436 0.0031678 2.5157284 24 Yb 2.4453002 0.0638290 0.0003648 0.0112345 2.4545258 0.0957403 -0.0325436 0.0031678 2.5157284 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 4 7 ] 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: 0.51, Number of G-points: 309, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 Number of triplets: 60 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 1.135 ( 0.000 0.000 0.000) 0.000 1.341 ( 0.000 0.000 0.000) 0.000 1.485 ( 0.000 0.000 0.000) 0.000 1.572 ( 0.000 0.000 0.000) 0.000 1.795 ( 0.000 0.000 0.000) 0.000 1.868 ( 0.000 0.000 0.000) 0.000 1.914 ( 0.000 0.000 0.000) 0.000 1.956 ( 0.000 0.000 0.000) 0.000 1.975 ( 0.000 0.000 0.000) 0.000 2.010 ( 0.000 0.000 0.000) 0.000 2.053 ( 0.000 0.000 0.000) 0.000 2.059 ( 0.000 0.000 0.000) 0.000 2.169 ( 0.000 0.000 0.000) 0.000 2.373 ( 0.000 0.000 0.000) 0.000 2.399 ( 0.000 0.000 0.000) 0.000 2.539 ( 0.000 0.000 0.000) 0.000 2.703 ( 0.000 0.000 0.000) 0.000 2.755 ( 0.000 0.000 0.000) 0.000 2.912 ( 0.000 0.000 0.000) 0.000 2.970 ( 0.000 0.000 0.000) 0.000 2.999 ( 0.000 0.000 0.000) 0.000 3.015 ( 0.000 0.000 0.000) 0.000 3.059 ( 0.000 0.000 0.000) 0.000 3.232 ( 0.000 0.000 0.000) 0.000 3.233 ( 0.000 0.000 0.000) 0.000 3.287 ( 0.000 0.000 0.000) 0.000 3.373 ( 0.000 0.000 0.000) 0.000 3.458 ( 0.000 0.000 0.000) 0.000 3.482 ( 0.000 0.000 0.000) 0.000 3.989 ( 0.000 0.000 0.000) 0.000 4.015 ( 0.000 0.000 0.000) 0.000 4.089 ( 0.000 0.000 0.000) 0.000 4.094 ( 0.000 0.000 0.000) 0.000 4.412 ( 0.000 0.000 0.000) 0.000 4.521 ( 0.000 0.000 0.000) 0.000 4.586 ( 0.000 0.000 0.000) 0.000 4.620 ( 0.000 0.000 0.000) 0.000 4.631 ( 0.000 0.000 0.000) 0.000 4.795 ( 0.000 0.000 0.000) 0.000 4.827 ( 0.000 0.000 0.000) 0.000 4.842 ( 0.000 0.000 0.000) 0.000 4.905 ( 0.000 0.000 0.000) 0.000 4.907 ( 0.000 0.000 0.000) 0.000 5.002 ( 0.000 0.000 0.000) 0.000 5.048 ( 0.000 0.000 0.000) 0.000 5.127 ( 0.000 0.000 0.000) 0.000 5.254 ( 0.000 0.000 0.000) 0.000 5.427 ( 0.000 0.000 0.000) 0.000 5.519 ( 0.000 0.000 0.000) 0.000 5.586 ( 0.000 0.000 0.000) 0.000 5.709 ( 0.000 0.000 0.000) 0.000 5.832 ( 0.000 0.000 0.000) 0.000 6.193 ( 0.000 0.000 0.000) 0.000 6.411 ( 0.000 0.000 0.000) 0.000 6.486 ( 0.000 0.000 0.000) 0.000 6.522 ( 0.000 0.000 0.000) 0.000 6.718 ( 0.000 0.000 0.000) 0.000 6.770 ( 0.000 0.000 0.000) 0.000 6.875 ( 0.000 0.000 0.000) 0.000 6.882 ( 0.000 0.000 0.000) 0.000 6.916 ( 0.000 0.000 0.000) 0.000 7.076 ( 0.000 0.000 0.000) 0.000 7.135 ( 0.000 0.000 0.000) 0.000 7.432 ( 0.000 0.000 0.000) 0.000 7.540 ( 0.000 0.000 0.000) 0.000 7.631 ( 0.000 0.000 0.000) 0.000 7.644 ( 0.000 0.000 0.000) 0.000 7.824 ( 0.000 0.000 0.000) 0.000 7.943 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.341 ( 17.411 0.000 0.000) 17.411 0.360 ( 18.396 0.000 0.000) 18.396 0.659 ( 33.142 0.000 0.000) 33.142 1.165 ( 2.920 0.000 0.000) 2.920 1.391 ( 5.001 0.000 0.000) 5.001 1.502 ( 1.518 0.000 0.000) 1.518 1.607 ( 2.904 0.000 0.000) 2.904 1.766 ( -9.987 0.000 0.000) 9.987 1.791 ( 0.983 0.000 0.000) 0.983 1.850 ( -2.290 0.000 0.000) 2.290 1.954 ( -5.346 0.000 0.000) 5.346 2.004 ( -1.489 0.000 0.000) 1.489 2.031 ( 6.816 0.000 0.000) 6.816 2.107 ( 3.527 0.000 0.000) 3.527 2.109 ( 5.711 0.000 0.000) 5.711 2.312 ( -2.005 0.000 0.000) 2.005 2.383 ( 1.681 0.000 0.000) 1.681 2.445 ( 5.419 0.000 0.000) 5.419 2.488 ( -4.576 0.000 0.000) 4.576 2.696 ( -5.728 0.000 0.000) 5.728 2.760 ( 3.062 0.000 0.000) 3.062 2.822 ( -8.184 0.000 0.000) 8.184 2.940 ( -3.351 0.000 0.000) 3.351 3.026 ( 2.395 0.000 0.000) 2.395 3.054 ( -1.373 0.000 0.000) 1.373 3.055 ( 3.404 0.000 0.000) 3.404 3.204 ( 0.153 0.000 0.000) 0.153 3.209 ( -1.362 0.000 0.000) 1.362 3.324 ( -4.761 0.000 0.000) 4.761 3.386 ( 6.052 0.000 0.000) 6.052 3.427 ( -2.988 0.000 0.000) 2.988 3.465 ( -1.965 0.000 0.000) 1.965 4.134 ( 8.103 0.000 0.000) 8.103 4.154 ( 14.975 0.000 0.000) 14.975 4.221 ( 16.162 0.000 0.000) 16.162 4.298 ( 5.590 0.000 0.000) 5.590 4.427 ( 1.482 0.000 0.000) 1.482 4.523 ( 0.239 0.000 0.000) 0.239 4.601 ( 1.516 0.000 0.000) 1.516 4.608 ( 0.633 0.000 0.000) 0.633 4.768 ( 7.772 0.000 0.000) 7.772 4.811 ( 0.146 0.000 0.000) 0.146 4.842 ( 1.459 0.000 0.000) 1.459 4.845 ( 0.589 0.000 0.000) 0.589 4.983 ( -2.003 0.000 0.000) 2.003 4.989 ( 8.720 0.000 0.000) 8.720 5.031 ( -1.762 0.000 0.000) 1.762 5.137 ( 1.986 0.000 0.000) 1.986 5.246 ( -0.734 0.000 0.000) 0.734 5.411 ( -1.525 0.000 0.000) 1.525 5.523 ( 0.337 0.000 0.000) 0.337 5.572 ( -1.112 0.000 0.000) 1.112 5.709 ( -0.041 0.000 0.000) 0.041 5.831 ( 0.010 0.000 0.000) 0.010 6.085 ( -5.783 0.000 0.000) 5.783 6.430 ( 1.747 0.000 0.000) 1.747 6.489 ( 0.308 0.000 0.000) 0.308 6.543 ( 2.141 0.000 0.000) 2.141 6.616 ( 0.202 0.000 0.000) 0.202 6.683 ( -3.690 0.000 0.000) 3.690 6.781 ( 1.033 0.000 0.000) 1.033 6.840 ( -4.450 0.000 0.000) 4.450 6.854 ( -2.222 0.000 0.000) 2.222 7.045 ( -1.075 0.000 0.000) 1.075 7.098 ( 2.096 0.000 0.000) 2.096 7.141 ( 0.496 0.000 0.000) 0.496 7.422 ( -1.015 0.000 0.000) 1.015 7.484 ( -5.568 0.000 0.000) 5.568 7.557 ( -6.379 0.000 0.000) 6.379 7.627 ( -2.782 0.000 0.000) 2.782 7.798 ( -2.499 0.000 0.000) 2.499 7.901 ( -4.078 0.000 0.000) 4.078 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( 15.851 0.000 0.000) 15.851 0.708 ( 17.498 0.000 0.000) 17.498 1.245 ( 5.611 0.000 0.000) 5.611 1.266 ( 28.945 0.000 0.000) 28.945 1.516 ( 4.230 0.000 0.000) 4.230 1.535 ( 1.852 0.000 0.000) 1.852 1.571 ( -6.404 0.000 0.000) 6.404 1.643 ( 0.491 0.000 0.000) 0.491 1.789 ( -3.369 0.000 0.000) 3.369 1.820 ( -8.037 0.000 0.000) 8.037 1.879 ( 8.074 0.000 0.000) 8.074 1.946 ( -4.159 0.000 0.000) 4.159 2.104 ( -4.462 0.000 0.000) 4.462 2.195 ( 9.555 0.000 0.000) 9.555 2.231 ( 5.130 0.000 0.000) 5.130 2.263 ( -2.576 0.000 0.000) 2.576 2.395 ( -4.199 0.000 0.000) 4.199 2.466 ( 6.565 0.000 0.000) 6.565 2.553 ( -8.288 0.000 0.000) 8.288 2.583 ( 7.568 0.000 0.000) 7.568 2.655 ( -7.558 0.000 0.000) 7.558 2.769 ( -3.156 0.000 0.000) 3.156 2.830 ( -8.216 0.000 0.000) 8.216 3.040 ( -0.596 0.000 0.000) 0.596 3.057 ( -0.341 0.000 0.000) 0.341 3.109 ( 1.311 0.000 0.000) 1.311 3.217 ( -4.638 0.000 0.000) 4.638 3.222 ( 3.495 0.000 0.000) 3.495 3.232 ( 2.165 0.000 0.000) 2.165 3.360 ( -3.272 0.000 0.000) 3.272 3.408 ( -3.468 0.000 0.000) 3.468 3.480 ( 3.284 0.000 0.000) 3.284 4.292 ( 8.181 0.000 0.000) 8.181 4.359 ( 6.628 0.000 0.000) 6.628 4.466 ( 2.434 0.000 0.000) 2.434 4.531 ( 0.683 0.000 0.000) 0.683 4.552 ( 13.893 0.000 0.000) 13.893 4.638 ( 2.074 0.000 0.000) 2.074 4.646 ( 23.819 0.000 0.000) 23.819 4.654 ( 3.906 0.000 0.000) 3.906 4.800 ( -0.268 0.000 0.000) 0.268 4.881 ( 2.506 0.000 0.000) 2.506 4.920 ( 10.899 0.000 0.000) 10.899 4.926 ( -3.679 0.000 0.000) 3.679 4.951 ( 11.364 0.000 0.000) 11.364 4.982 ( -3.255 0.000 0.000) 3.255 5.090 ( 1.912 0.000 0.000) 1.912 5.230 ( -0.755 0.000 0.000) 0.755 5.303 ( 11.511 0.000 0.000) 11.511 5.373 ( -2.267 0.000 0.000) 2.267 5.530 ( 0.426 0.000 0.000) 0.426 5.582 ( 4.683 0.000 0.000) 4.683 5.707 ( -0.134 0.000 0.000) 0.134 5.841 ( 1.657 0.000 0.000) 1.657 5.936 ( -8.980 0.000 0.000) 8.980 6.470 ( 2.189 0.000 0.000) 2.189 6.496 ( 0.208 0.000 0.000) 0.208 6.569 ( -8.423 0.000 0.000) 8.423 6.604 ( 4.104 0.000 0.000) 4.104 6.643 ( 2.996 0.000 0.000) 2.996 6.695 ( -10.487 0.000 0.000) 10.487 6.782 ( -5.567 0.000 0.000) 5.567 6.813 ( 1.924 0.000 0.000) 1.924 7.015 ( -1.923 0.000 0.000) 1.923 7.142 ( -1.203 0.000 0.000) 1.203 7.150 ( 3.207 0.000 0.000) 3.207 7.342 ( -7.982 0.000 0.000) 7.982 7.393 ( -1.966 0.000 0.000) 1.966 7.395 ( -10.098 0.000 0.000) 10.098 7.541 ( -5.701 0.000 0.000) 5.701 7.737 ( -3.483 0.000 0.000) 3.483 7.804 ( -5.398 0.000 0.000) 5.398 ======================= Grid point 3 (4/60) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( 12.598 0.000 0.000) 12.598 1.033 ( 15.953 0.000 0.000) 15.953 1.352 ( -10.172 0.000 0.000) 10.172 1.392 ( 9.573 0.000 0.000) 9.573 1.517 ( -4.131 0.000 0.000) 4.131 1.631 ( -2.594 0.000 0.000) 2.594 1.639 ( -0.625 0.000 0.000) 0.625 1.689 ( 4.252 0.000 0.000) 4.252 1.748 ( -0.164 0.000 0.000) 0.164 1.841 ( 21.972 0.000 0.000) 21.972 1.874 ( -0.404 0.000 0.000) 0.404 1.958 ( -9.146 0.000 0.000) 9.146 2.065 ( 9.741 0.000 0.000) 9.741 2.221 ( -1.635 0.000 0.000) 1.635 2.224 ( -7.260 0.000 0.000) 7.260 2.310 ( 0.558 0.000 0.000) 0.558 2.428 ( 9.960 0.000 0.000) 9.960 2.443 ( -1.316 0.000 0.000) 1.316 2.506 ( -3.256 0.000 0.000) 3.256 2.600 ( -8.299 0.000 0.000) 8.299 2.613 ( -14.226 0.000 0.000) 14.226 2.664 ( 8.808 0.000 0.000) 8.808 2.738 ( 1.172 0.000 0.000) 1.172 2.974 ( -3.782 0.000 0.000) 3.782 2.997 ( -5.740 0.000 0.000) 5.740 3.087 ( -3.372 0.000 0.000) 3.372 3.214 ( 3.120 0.000 0.000) 3.120 3.274 ( 1.903 0.000 0.000) 1.903 3.315 ( 2.799 0.000 0.000) 2.799 3.315 ( -1.655 0.000 0.000) 1.655 3.364 ( 1.440 0.000 0.000) 1.440 3.506 ( -0.660 0.000 0.000) 0.660 4.438 ( 6.534 0.000 0.000) 6.534 4.476 ( 5.224 0.000 0.000) 5.224 4.512 ( 2.026 0.000 0.000) 2.026 4.546 ( 0.669 0.000 0.000) 0.669 4.668 ( 1.187 0.000 0.000) 1.187 4.671 ( 0.995 0.000 0.000) 0.995 4.730 ( 4.335 0.000 0.000) 4.335 4.760 ( -0.927 0.000 0.000) 0.927 4.842 ( -4.552 0.000 0.000) 4.552 4.908 ( -4.253 0.000 0.000) 4.253 4.937 ( 2.881 0.000 0.000) 2.881 4.984 ( 4.026 0.000 0.000) 4.026 5.124 ( 8.783 0.000 0.000) 8.783 5.201 ( 7.819 0.000 0.000) 7.819 5.222 ( 0.099 0.000 0.000) 0.099 5.327 ( -2.574 0.000 0.000) 2.574 5.372 ( 27.102 0.000 0.000) 27.102 5.465 ( 12.191 0.000 0.000) 12.191 5.543 ( 1.209 0.000 0.000) 1.209 5.703 ( -0.356 0.000 0.000) 0.356 5.745 ( 6.665 0.000 0.000) 6.665 5.768 ( -7.006 0.000 0.000) 7.006 5.990 ( 16.251 0.000 0.000) 16.251 6.340 ( -15.556 0.000 0.000) 15.556 6.389 ( -17.521 0.000 0.000) 17.521 6.505 ( 1.295 0.000 0.000) 1.295 6.524 ( -1.022 0.000 0.000) 1.022 6.625 ( -10.978 0.000 0.000) 10.978 6.701 ( 6.051 0.000 0.000) 6.051 6.742 ( 7.336 0.000 0.000) 7.336 6.855 ( 2.312 0.000 0.000) 2.312 6.974 ( -2.200 0.000 0.000) 2.200 7.032 ( -9.829 0.000 0.000) 9.829 7.178 ( -11.884 0.000 0.000) 11.884 7.221 ( 4.133 0.000 0.000) 4.133 7.261 ( 0.116 0.000 0.000) 0.116 7.347 ( -2.689 0.000 0.000) 2.689 7.423 ( -6.173 0.000 0.000) 6.173 7.680 ( -2.065 0.000 0.000) 2.065 7.711 ( -3.766 0.000 0.000) 3.766 ======================= Grid point 4 (5/60) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( -10.083 0.000 0.000) 10.083 1.158 ( 10.083 0.000 0.000) 10.083 1.320 ( -13.492 0.000 0.000) 13.492 1.320 ( 13.492 0.000 0.000) 13.492 1.595 ( -10.172 0.000 0.000) 10.172 1.595 ( 10.172 0.000 0.000) 10.172 1.623 ( -0.851 0.000 0.000) 0.851 1.623 ( 0.851 0.000 0.000) 0.851 1.799 ( -5.547 0.000 0.000) 5.547 1.799 ( 5.547 0.000 0.000) 5.547 2.024 ( -11.295 0.000 0.000) 11.295 2.024 ( 11.295 0.000 0.000) 11.295 2.178 ( -0.424 0.000 0.000) 0.424 2.178 ( 0.424 0.000 0.000) 0.424 2.276 ( -17.308 0.000 0.000) 17.308 2.276 ( 17.308 0.000 0.000) 17.308 2.411 ( -8.601 0.000 0.000) 8.601 2.411 ( 8.601 0.000 0.000) 8.601 2.457 ( -1.732 0.000 0.000) 1.732 2.457 ( 1.732 0.000 0.000) 1.732 2.636 ( -9.971 0.000 0.000) 9.971 2.636 ( 9.971 0.000 0.000) 9.971 2.847 ( -9.218 0.000 0.000) 9.218 2.847 ( 9.218 0.000 0.000) 9.218 3.001 ( -4.688 0.000 0.000) 4.688 3.001 ( 4.688 0.000 0.000) 4.688 3.276 ( -2.706 0.000 0.000) 2.706 3.276 ( 2.706 0.000 0.000) 2.706 3.304 ( -1.318 0.000 0.000) 1.318 3.304 ( 1.318 0.000 0.000) 1.318 3.455 ( -4.482 0.000 0.000) 4.482 3.455 ( 4.482 0.000 0.000) 4.482 4.523 ( -1.668 0.000 0.000) 1.668 4.523 ( 1.668 0.000 0.000) 1.668 4.543 ( -1.521 0.000 0.000) 1.521 4.543 ( 1.521 0.000 0.000) 1.521 4.675 ( -0.214 0.000 0.000) 0.214 4.675 ( 0.214 0.000 0.000) 0.214 4.769 ( -2.355 0.000 0.000) 2.355 4.769 ( 2.355 0.000 0.000) 2.355 4.821 ( -4.733 0.000 0.000) 4.733 4.821 ( 4.733 0.000 0.000) 4.733 4.985 ( -1.792 0.000 0.000) 1.792 4.985 ( 1.792 0.000 0.000) 1.792 5.235 ( -0.930 0.000 0.000) 0.930 5.235 ( 0.930 0.000 0.000) 0.930 5.259 ( -5.008 0.000 0.000) 5.008 5.259 ( 5.008 0.000 0.000) 5.008 5.590 ( -3.357 0.000 0.000) 3.357 5.590 ( 3.357 0.000 0.000) 3.357 5.678 ( -3.597 0.000 0.000) 3.597 5.678 ( 3.597 0.000 0.000) 3.597 5.962 ( -24.786 0.000 0.000) 24.786 5.962 ( 24.786 0.000 0.000) 24.786 5.980 ( -19.773 0.000 0.000) 19.773 5.980 ( 19.773 0.000 0.000) 19.773 6.346 ( -17.640 0.000 0.000) 17.640 6.346 ( 17.640 0.000 0.000) 17.640 6.520 ( -0.283 0.000 0.000) 0.283 6.520 ( 0.283 0.000 0.000) 0.283 6.842 ( -8.692 0.000 0.000) 8.692 6.842 ( 8.692 0.000 0.000) 8.692 6.881 ( -2.272 0.000 0.000) 2.272 6.881 ( 2.272 0.000 0.000) 2.272 6.971 ( -6.372 0.000 0.000) 6.372 6.971 ( 6.372 0.000 0.000) 6.372 7.294 ( -2.578 0.000 0.000) 2.578 7.294 ( 2.578 0.000 0.000) 2.578 7.312 ( -5.232 0.000 0.000) 5.232 7.312 ( 5.232 0.000 0.000) 5.232 7.666 ( -0.795 0.000 0.000) 0.795 7.666 ( 0.795 0.000 0.000) 0.795 ======================= Grid point 9 (6/60) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.339 ( 0.000 16.901 0.000) 16.901 0.418 ( 0.000 20.721 0.000) 20.721 0.608 ( 0.000 28.508 0.000) 28.508 0.988 ( 0.000 -10.755 0.000) 10.755 1.151 ( 0.000 -15.042 0.000) 15.042 1.602 ( 0.000 8.373 0.000) 8.373 1.662 ( 0.000 5.911 0.000) 5.911 1.731 ( 0.000 -21.907 0.000) 21.907 1.831 ( 0.000 3.078 0.000) 3.078 1.845 ( 0.000 -3.731 0.000) 3.731 1.872 ( 0.000 -3.852 0.000) 3.852 1.942 ( 0.000 -1.571 0.000) 1.571 2.052 ( 0.000 6.885 0.000) 6.885 2.062 ( 0.000 5.170 0.000) 5.170 2.116 ( 0.000 5.608 0.000) 5.608 2.264 ( 0.000 1.564 0.000) 1.564 2.325 ( 0.000 -4.640 0.000) 4.640 2.401 ( 0.000 0.179 0.000) 0.179 2.439 ( 0.000 -8.196 0.000) 8.196 2.523 ( 0.000 -9.210 0.000) 9.210 2.949 ( 0.000 11.454 0.000) 11.454 2.963 ( 0.000 2.009 0.000) 2.009 2.973 ( 0.000 0.276 0.000) 0.276 3.066 ( 0.000 6.060 0.000) 6.060 3.136 ( 0.000 5.435 0.000) 5.435 3.241 ( 0.000 -1.279 0.000) 1.279 3.251 ( 0.000 1.878 0.000) 1.878 3.263 ( 0.000 3.751 0.000) 3.751 3.267 ( 0.000 -2.062 0.000) 2.062 3.319 ( 0.000 -5.303 0.000) 5.303 3.414 ( 0.000 -4.260 0.000) 4.260 3.490 ( 0.000 -3.937 0.000) 3.937 3.993 ( 0.000 0.334 0.000) 0.334 4.011 ( 0.000 -0.378 0.000) 0.378 4.093 ( 0.000 -0.043 0.000) 0.043 4.094 ( 0.000 -0.091 0.000) 0.091 4.420 ( 0.000 1.377 0.000) 1.377 4.548 ( 0.000 -3.399 0.000) 3.399 4.577 ( 0.000 4.916 0.000) 4.916 4.619 ( 0.000 -0.059 0.000) 0.059 4.627 ( 0.000 -0.353 0.000) 0.353 4.789 ( 0.000 -3.784 0.000) 3.784 4.870 ( 0.000 0.990 0.000) 0.990 4.893 ( 0.000 4.242 0.000) 4.242 4.902 ( 0.000 -0.501 0.000) 0.501 5.006 ( 0.000 0.418 0.000) 0.418 5.040 ( 0.000 -0.899 0.000) 0.899 5.095 ( 0.000 -3.284 0.000) 3.284 5.275 ( 0.000 2.281 0.000) 2.281 5.401 ( 0.000 -2.505 0.000) 2.505 5.507 ( 0.000 0.174 0.000) 0.174 5.554 ( 0.000 3.134 0.000) 3.134 5.556 ( 0.000 -2.356 0.000) 2.356 5.685 ( 0.000 -2.313 0.000) 2.313 6.227 ( 0.000 3.039 0.000) 3.039 6.362 ( 0.000 -3.186 0.000) 3.186 6.471 ( 0.000 1.936 0.000) 1.936 6.512 ( 0.000 2.525 0.000) 2.525 6.518 ( 0.000 -0.465 0.000) 0.465 6.664 ( 0.000 -4.096 0.000) 4.096 6.792 ( 0.000 1.236 0.000) 1.236 6.837 ( 0.000 -1.544 0.000) 1.544 6.940 ( 0.000 2.239 0.000) 2.239 6.944 ( 0.000 3.900 0.000) 3.900 7.053 ( 0.000 -2.242 0.000) 2.242 7.104 ( 0.000 -2.988 0.000) 2.988 7.544 ( 0.000 1.079 0.000) 1.079 7.626 ( 0.000 -1.703 0.000) 1.703 7.678 ( 0.000 3.786 0.000) 3.786 7.806 ( 0.000 -1.834 0.000) 1.834 7.947 ( 0.000 0.334 0.000) 0.334 7.962 ( 0.000 -0.271 0.000) 0.271 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.12 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.527 ( 12.833 12.713 0.000) 18.064 0.553 ( 12.093 15.815 0.000) 19.909 0.851 ( 22.054 15.789 0.000) 27.123 1.053 ( 6.411 -6.951 0.000) 9.456 1.213 ( 6.108 -14.367 0.000) 15.612 1.570 ( -1.162 5.594 0.000) 5.714 1.657 ( -0.780 3.419 0.000) 3.507 1.755 ( -7.138 -0.413 0.000) 7.150 1.798 ( -4.087 -4.122 0.000) 5.805 1.819 ( 6.447 -20.955 0.000) 21.925 1.869 ( 1.622 4.452 0.000) 4.738 1.994 ( 3.140 -1.288 0.000) 3.394 2.039 ( -2.354 6.976 0.000) 7.362 2.082 ( 2.495 4.888 0.000) 5.488 2.130 ( 1.076 3.154 0.000) 3.333 2.341 ( 2.247 -4.024 0.000) 4.608 2.373 ( 6.587 -3.221 0.000) 7.332 2.406 ( -2.886 -6.730 0.000) 7.323 2.408 ( 0.879 2.049 0.000) 2.230 2.513 ( -0.882 -8.162 0.000) 8.210 2.880 ( -7.850 3.827 0.000) 8.734 2.940 ( -3.756 -0.063 0.000) 3.756 2.949 ( -0.748 10.141 0.000) 10.168 3.089 ( 2.303 3.619 0.000) 4.290 3.118 ( -1.724 4.961 0.000) 5.252 3.153 ( -3.310 5.472 0.000) 6.395 3.210 ( -0.027 0.155 0.000) 0.157 3.222 ( -3.221 1.732 0.000) 3.657 3.282 ( -3.551 -3.906 0.000) 5.279 3.371 ( 5.486 -1.347 0.000) 5.649 3.395 ( -1.784 -2.821 0.000) 3.338 3.436 ( -3.262 -3.302 0.000) 4.642 4.138 ( 8.877 0.371 0.000) 8.885 4.154 ( 13.908 -0.080 0.000) 13.908 4.214 ( 14.845 -0.456 0.000) 14.852 4.250 ( 11.617 -2.554 0.000) 11.895 4.436 ( 1.620 1.436 0.000) 2.165 4.547 ( 0.071 -1.002 0.000) 1.005 4.598 ( 1.888 2.715 0.000) 3.306 4.613 ( 0.916 0.522 0.000) 1.054 4.669 ( 3.468 -3.011 0.000) 4.592 4.800 ( 1.129 -4.007 0.000) 4.163 4.885 ( 1.079 4.420 0.000) 4.550 4.973 ( 5.253 5.859 0.000) 7.869 4.987 ( -1.978 0.441 0.000) 2.026 5.006 ( 9.028 1.532 0.000) 9.157 5.022 ( -1.779 -0.937 0.000) 2.011 5.100 ( 1.372 -3.683 0.000) 3.931 5.265 ( -0.899 2.131 0.000) 2.313 5.385 ( -1.493 -2.450 0.000) 2.869 5.542 ( -0.627 -2.085 0.000) 2.178 5.559 ( 0.467 3.226 0.000) 3.260 5.650 ( 8.594 -9.895 0.000) 13.106 5.688 ( 0.252 -2.086 0.000) 2.101 6.146 ( -6.299 4.650 0.000) 7.829 6.396 ( 2.048 -9.197 0.000) 9.423 6.467 ( 0.711 2.380 0.000) 2.484 6.511 ( -0.138 2.170 0.000) 2.174 6.551 ( 2.318 -1.476 0.000) 2.748 6.646 ( -2.202 -3.353 0.000) 4.012 6.780 ( -1.357 0.119 0.000) 1.362 6.808 ( -3.011 -1.309 0.000) 3.283 6.920 ( -2.458 4.413 0.000) 5.051 6.968 ( 2.067 0.703 0.000) 2.184 7.073 ( 1.919 -2.292 0.000) 2.989 7.105 ( -0.037 -3.528 0.000) 3.528 7.487 ( -5.749 1.173 0.000) 5.868 7.567 ( -5.639 -0.735 0.000) 5.687 7.653 ( -2.816 3.139 0.000) 4.217 7.751 ( -13.011 11.704 0.000) 17.501 7.780 ( -2.570 -1.901 0.000) 3.197 7.896 ( -4.757 -0.540 0.000) 4.787 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( 13.188 9.687 0.000) 16.363 0.823 ( 14.898 10.671 0.000) 18.325 1.159 ( 8.777 -7.438 0.000) 11.505 1.364 ( 8.231 -12.798 0.000) 15.216 1.370 ( 24.742 9.887 0.000) 26.645 1.556 ( -0.531 2.220 0.000) 2.283 1.595 ( -7.152 2.027 0.000) 7.434 1.643 ( -1.216 -0.106 0.000) 1.221 1.702 ( -5.137 -4.583 0.000) 6.885 1.900 ( -1.304 2.769 0.000) 3.061 1.914 ( -1.046 -1.226 0.000) 1.612 2.007 ( 3.026 -6.147 0.000) 6.851 2.013 ( 0.030 1.172 0.000) 1.172 2.115 ( -0.506 3.345 0.000) 3.383 2.201 ( 8.460 0.750 0.000) 8.493 2.355 ( -1.967 -2.838 0.000) 3.453 2.371 ( -6.786 -10.517 0.000) 12.516 2.431 ( 1.242 5.757 0.000) 5.890 2.432 ( 6.758 -3.307 0.000) 7.524 2.571 ( 6.285 -2.031 0.000) 6.605 2.709 ( -8.555 4.302 0.000) 9.576 2.822 ( -8.402 -0.944 0.000) 8.455 2.902 ( -4.417 8.619 0.000) 9.685 3.080 ( -1.972 3.691 0.000) 4.185 3.100 ( -3.833 1.778 0.000) 4.225 3.129 ( 1.065 2.029 0.000) 2.291 3.191 ( -4.561 -1.498 0.000) 4.801 3.228 ( 3.813 0.607 0.000) 3.861 3.231 ( 1.558 -0.841 0.000) 1.770 3.356 ( -1.792 0.367 0.000) 1.829 3.373 ( -2.813 -3.520 0.000) 4.506 3.453 ( 2.805 -2.509 0.000) 3.763 4.301 ( 8.179 0.810 0.000) 8.219 4.346 ( 7.256 -1.127 0.000) 7.343 4.479 ( 2.595 1.523 0.000) 3.009 4.553 ( 0.532 0.547 0.000) 0.763 4.557 ( 14.833 0.891 0.000) 14.859 4.635 ( 17.686 -1.534 0.000) 17.752 4.643 ( 2.554 1.714 0.000) 3.076 4.674 ( 10.687 1.745 0.000) 10.829 4.750 ( 4.990 -2.785 0.000) 5.715 4.832 ( 2.126 -4.498 0.000) 4.975 4.932 ( -3.636 0.544 0.000) 3.677 4.948 ( 8.269 2.817 0.000) 8.735 4.973 ( -3.188 -1.020 0.000) 3.348 5.028 ( 2.364 4.197 0.000) 4.817 5.117 ( 5.250 2.475 0.000) 5.804 5.244 ( -1.231 1.595 0.000) 2.015 5.271 ( 10.225 -2.793 0.000) 10.599 5.348 ( -2.295 -2.365 0.000) 3.295 5.563 ( 4.770 -0.265 0.000) 4.778 5.570 ( 0.705 3.529 0.000) 3.599 5.694 ( 0.378 -1.477 0.000) 1.524 5.762 ( 3.578 -6.663 0.000) 7.563 6.023 ( -5.181 7.405 0.000) 9.038 6.454 ( 4.523 -13.015 0.000) 13.779 6.498 ( 2.137 2.194 0.000) 3.063 6.500 ( -1.649 0.663 0.000) 1.777 6.561 ( -7.003 -1.086 0.000) 7.087 6.601 ( 3.045 -2.258 0.000) 3.790 6.685 ( -8.562 0.020 0.000) 8.562 6.764 ( -1.932 -2.860 0.000) 3.451 6.853 ( -4.110 4.902 0.000) 6.397 6.997 ( 0.786 1.258 0.000) 1.483 7.095 ( -1.310 -5.068 0.000) 5.235 7.119 ( 2.680 -2.622 0.000) 3.750 7.331 ( -10.019 1.715 0.000) 10.165 7.429 ( -7.993 -0.007 0.000) 7.993 7.567 ( -6.614 10.705 0.000) 12.583 7.574 ( -5.011 3.548 0.000) 6.140 7.716 ( -3.610 -2.110 0.000) 4.181 7.787 ( -5.874 -1.792 0.000) 6.141 ======================= Grid point 12 (9/60) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 11.115 7.068 0.000) 13.172 1.103 ( 13.268 6.809 0.000) 14.913 1.336 ( 9.452 -5.749 0.000) 11.063 1.387 ( -5.814 1.460 0.000) 5.994 1.527 ( -2.259 0.963 0.000) 2.455 1.540 ( -0.132 -5.164 0.000) 5.166 1.609 ( -3.325 -2.054 0.000) 3.908 1.699 ( 8.248 -6.463 0.000) 10.478 1.781 ( 4.835 4.591 0.000) 6.668 1.806 ( -6.903 2.374 0.000) 7.300 1.897 ( 13.653 4.994 0.000) 14.537 1.926 ( -6.957 -2.285 0.000) 7.322 2.117 ( 6.192 -6.529 0.000) 8.998 2.187 ( -11.461 -8.450 0.000) 14.239 2.212 ( 7.492 8.238 0.000) 11.136 2.322 ( -0.746 2.002 0.000) 2.136 2.386 ( 9.114 -3.235 0.000) 9.671 2.435 ( -1.113 4.472 0.000) 4.609 2.510 ( -3.583 -1.554 0.000) 3.905 2.612 ( -6.229 0.987 0.000) 6.307 2.645 ( -0.945 -3.384 0.000) 3.514 2.665 ( 2.830 -0.200 0.000) 2.837 2.782 ( -7.279 8.197 0.000) 10.962 2.983 ( -5.317 0.469 0.000) 5.338 3.044 ( -4.587 3.179 0.000) 5.581 3.113 ( -2.592 2.533 0.000) 3.625 3.158 ( 2.636 -4.501 0.000) 5.216 3.249 ( -0.154 -2.735 0.000) 2.739 3.319 ( 3.109 0.153 0.000) 3.112 3.337 ( -0.293 2.450 0.000) 2.467 3.353 ( 2.052 -1.114 0.000) 2.335 3.475 ( -0.619 -2.951 0.000) 3.015 4.446 ( 6.442 0.670 0.000) 6.477 4.472 ( 5.643 -0.364 0.000) 5.654 4.526 ( 1.926 1.360 0.000) 2.358 4.563 ( 0.297 0.898 0.000) 0.946 4.687 ( 2.383 1.576 0.000) 2.857 4.687 ( 1.824 2.244 0.000) 2.891 4.729 ( 3.080 0.086 0.000) 3.081 4.796 ( 0.250 2.993 0.000) 3.003 4.847 ( -3.976 0.069 0.000) 3.977 4.880 ( 0.933 -3.258 0.000) 3.389 4.908 ( -2.415 -1.706 0.000) 2.957 4.952 ( 2.706 -3.032 0.000) 4.063 5.106 ( 8.124 0.206 0.000) 8.127 5.214 ( 5.655 -1.220 0.000) 5.785 5.223 ( -0.786 0.446 0.000) 0.903 5.300 ( -2.642 -2.400 0.000) 3.570 5.399 ( 25.293 2.689 0.000) 25.435 5.453 ( 16.635 -0.636 0.000) 16.647 5.588 ( 1.228 3.881 0.000) 4.071 5.677 ( 3.492 -2.019 0.000) 4.033 5.702 ( 0.467 -0.536 0.000) 0.711 5.784 ( -1.272 -2.541 0.000) 2.841 6.080 ( 13.263 9.099 0.000) 16.084 6.334 ( -15.436 -0.344 0.000) 15.440 6.367 ( -16.462 -1.743 0.000) 16.554 6.526 ( 1.817 0.560 0.000) 1.901 6.544 ( -3.524 2.446 0.000) 4.290 6.591 ( 8.045 -10.154 0.000) 12.955 6.674 ( -7.850 2.402 0.000) 8.209 6.675 ( 4.925 -4.058 0.000) 6.382 6.785 ( -2.861 -2.922 0.000) 4.089 7.004 ( 0.291 3.736 0.000) 3.747 7.029 ( -6.637 -8.107 0.000) 10.477 7.128 ( -9.372 5.166 0.000) 10.702 7.175 ( 2.994 -3.359 0.000) 4.500 7.296 ( -4.809 -0.878 0.000) 4.889 7.472 ( -3.401 8.454 0.000) 9.113 7.480 ( -4.054 5.355 0.000) 6.717 7.657 ( -2.157 -2.363 0.000) 3.199 7.689 ( -3.931 -2.342 0.000) 4.576 ======================= Grid point 13 (10/60) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( -6.403 4.132 0.000) 7.621 1.198 ( 6.403 4.132 0.000) 7.621 1.385 ( -7.927 3.944 0.000) 8.854 1.385 ( 7.927 3.944 0.000) 8.854 1.504 ( -3.554 -4.253 0.000) 5.543 1.504 ( 3.554 -4.253 0.000) 5.543 1.642 ( -6.991 -1.166 0.000) 7.087 1.642 ( 6.991 -1.166 0.000) 7.087 1.796 ( -2.601 0.362 0.000) 2.626 1.796 ( 2.601 0.362 0.000) 2.626 1.949 ( -12.010 -6.060 0.000) 13.452 1.949 ( 12.010 -6.060 0.000) 13.452 2.222 ( -5.574 2.818 0.000) 6.246 2.222 ( 5.574 2.818 0.000) 6.246 2.269 ( -16.903 -0.666 0.000) 16.916 2.269 ( 16.903 -0.666 0.000) 16.916 2.383 ( -4.514 1.670 0.000) 4.813 2.383 ( 4.514 1.670 0.000) 4.813 2.540 ( -7.056 -0.904 0.000) 7.114 2.540 ( 7.056 -0.904 0.000) 7.114 2.631 ( -7.727 4.351 0.000) 8.867 2.631 ( 7.727 4.351 0.000) 8.867 2.831 ( -9.651 -1.912 0.000) 9.839 2.831 ( 9.651 -1.912 0.000) 9.839 3.047 ( -3.482 3.831 0.000) 5.176 3.047 ( 3.482 3.831 0.000) 5.176 3.220 ( -2.737 -4.143 0.000) 4.965 3.220 ( 2.737 -4.143 0.000) 4.965 3.334 ( -0.165 1.908 0.000) 1.915 3.334 ( 0.165 1.908 0.000) 1.915 3.431 ( -3.735 -2.201 0.000) 4.335 3.431 ( 3.735 -2.201 0.000) 4.335 4.531 ( -1.979 0.781 0.000) 2.128 4.531 ( 1.979 0.781 0.000) 2.128 4.550 ( -2.157 0.332 0.000) 2.183 4.550 ( 2.157 0.332 0.000) 2.183 4.707 ( -0.081 3.154 0.000) 3.155 4.707 ( 0.081 3.154 0.000) 3.155 4.776 ( -2.552 0.602 0.000) 2.622 4.776 ( 2.552 0.602 0.000) 2.622 4.827 ( -3.261 0.632 0.000) 3.322 4.827 ( 3.261 0.632 0.000) 3.322 4.939 ( -2.203 -4.155 0.000) 4.703 4.939 ( 2.203 -4.155 0.000) 4.703 5.212 ( -1.526 -1.266 0.000) 1.983 5.212 ( 1.526 -1.266 0.000) 1.983 5.244 ( -2.348 -1.922 0.000) 3.035 5.244 ( 2.348 -1.922 0.000) 3.035 5.618 ( -1.250 3.218 0.000) 3.453 5.618 ( 1.250 3.218 0.000) 3.453 5.706 ( -0.810 1.401 0.000) 1.618 5.706 ( 0.810 1.401 0.000) 1.618 5.950 ( -25.021 -0.962 0.000) 25.040 5.950 ( 25.021 -0.962 0.000) 25.040 5.961 ( -21.296 -1.609 0.000) 21.357 5.961 ( 21.296 -1.609 0.000) 21.357 6.388 ( -14.911 4.534 0.000) 15.585 6.388 ( 14.911 4.534 0.000) 15.585 6.558 ( -2.196 3.180 0.000) 3.865 6.558 ( 2.196 3.180 0.000) 3.865 6.718 ( -4.476 -7.278 0.000) 8.544 6.718 ( 4.476 -7.278 0.000) 8.544 6.835 ( -11.213 -8.318 0.000) 13.961 6.835 ( 11.213 -8.318 0.000) 13.961 7.024 ( -2.272 6.404 0.000) 6.795 7.024 ( 2.272 6.404 0.000) 6.795 7.231 ( -2.801 -3.489 0.000) 4.474 7.231 ( 2.801 -3.489 0.000) 4.474 7.437 ( -0.083 7.476 0.000) 7.477 7.437 ( 0.083 7.476 0.000) 7.477 7.642 ( -0.812 -2.470 0.000) 2.600 7.642 ( 0.812 -2.470 0.000) 2.600 ======================= Grid point 18 (11/60) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( 0.000 -14.953 0.000) 14.953 0.659 ( 0.000 14.953 0.000) 14.953 0.811 ( 0.000 -18.856 0.000) 18.856 0.811 ( 0.000 18.856 0.000) 18.856 1.232 ( 0.000 -27.168 0.000) 27.168 1.232 ( 0.000 27.168 0.000) 27.168 1.751 ( 0.000 -6.237 0.000) 6.237 1.751 ( 0.000 6.237 0.000) 6.237 1.776 ( 0.000 -5.559 0.000) 5.559 1.776 ( 0.000 5.559 0.000) 5.559 1.895 ( 0.000 -3.054 0.000) 3.054 1.895 ( 0.000 3.054 0.000) 3.054 2.196 ( 0.000 -7.187 0.000) 7.187 2.196 ( 0.000 7.187 0.000) 7.187 2.202 ( 0.000 -7.458 0.000) 7.458 2.202 ( 0.000 7.458 0.000) 7.458 2.265 ( 0.000 -8.801 0.000) 8.801 2.265 ( 0.000 8.801 0.000) 8.801 2.415 ( 0.000 -1.866 0.000) 1.866 2.415 ( 0.000 1.866 0.000) 1.866 2.977 ( 0.000 -0.015 0.000) 0.015 2.977 ( 0.000 0.015 0.000) 0.015 3.163 ( 0.000 -9.378 0.000) 9.378 3.163 ( 0.000 9.378 0.000) 9.378 3.198 ( 0.000 -5.448 0.000) 5.448 3.198 ( 0.000 5.448 0.000) 5.448 3.211 ( 0.000 -2.650 0.000) 2.650 3.211 ( 0.000 2.650 0.000) 2.650 3.314 ( 0.000 -4.713 0.000) 4.713 3.314 ( 0.000 4.713 0.000) 4.713 3.380 ( 0.000 -6.737 0.000) 6.737 3.380 ( 0.000 6.737 0.000) 6.737 4.001 ( 0.000 -0.502 0.000) 0.502 4.001 ( 0.000 0.502 0.000) 0.502 4.093 ( 0.000 -0.003 0.000) 0.003 4.093 ( 0.000 0.003 0.000) 0.003 4.473 ( 0.000 -3.700 0.000) 3.700 4.473 ( 0.000 3.700 0.000) 3.700 4.621 ( 0.000 -0.210 0.000) 0.210 4.621 ( 0.000 0.210 0.000) 0.210 4.689 ( 0.000 -5.864 0.000) 5.864 4.689 ( 0.000 5.864 0.000) 5.864 4.888 ( 0.000 -0.855 0.000) 0.855 4.888 ( 0.000 0.855 0.000) 0.855 5.001 ( 0.000 -5.833 0.000) 5.833 5.001 ( 0.000 5.833 0.000) 5.833 5.019 ( 0.000 -0.935 0.000) 0.935 5.019 ( 0.000 0.935 0.000) 0.935 5.337 ( 0.000 -3.603 0.000) 3.603 5.337 ( 0.000 3.603 0.000) 3.603 5.518 ( 0.000 -1.183 0.000) 1.183 5.518 ( 0.000 1.183 0.000) 1.183 5.624 ( 0.000 -3.606 0.000) 3.606 5.624 ( 0.000 3.606 0.000) 3.606 6.295 ( 0.000 -3.568 0.000) 3.568 6.295 ( 0.000 3.568 0.000) 3.568 6.502 ( 0.000 -1.159 0.000) 1.159 6.502 ( 0.000 1.159 0.000) 1.159 6.580 ( 0.000 -4.109 0.000) 4.109 6.580 ( 0.000 4.109 0.000) 4.109 6.813 ( 0.000 -1.000 0.000) 1.000 6.813 ( 0.000 1.000 0.000) 1.000 6.996 ( 0.000 -3.189 0.000) 3.189 6.996 ( 0.000 3.189 0.000) 3.189 7.028 ( 0.000 -4.375 0.000) 4.375 7.028 ( 0.000 4.375 0.000) 4.375 7.583 ( 0.000 -2.458 0.000) 2.458 7.583 ( 0.000 2.458 0.000) 2.458 7.753 ( 0.000 -3.407 0.000) 3.407 7.753 ( 0.000 3.407 0.000) 3.407 7.955 ( 0.000 -0.429 0.000) 0.429 7.955 ( 0.000 0.429 0.000) 0.429 ======================= Grid point 20 (12/60) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 9.896 -12.281 0.000) 15.772 0.776 ( 9.896 12.281 0.000) 15.772 0.891 ( 7.807 -17.403 0.000) 19.074 0.891 ( 7.807 17.403 0.000) 19.074 1.347 ( 11.539 -24.002 0.000) 26.631 1.347 ( 11.539 24.002 0.000) 26.631 1.702 ( -4.110 -5.488 0.000) 6.857 1.702 ( -4.110 5.488 0.000) 6.857 1.723 ( -4.384 -2.855 0.000) 5.232 1.723 ( -4.384 2.855 0.000) 5.232 1.944 ( 3.588 -3.377 0.000) 4.927 1.944 ( 3.588 3.377 0.000) 4.927 2.189 ( -1.370 -2.604 0.000) 2.942 2.189 ( -1.370 2.604 0.000) 2.942 2.212 ( -0.241 -9.977 0.000) 9.980 2.212 ( -0.241 9.977 0.000) 9.980 2.280 ( 2.183 -3.015 0.000) 3.722 2.280 ( 2.183 3.015 0.000) 3.722 2.442 ( 3.196 -1.324 0.000) 3.459 2.442 ( 3.196 1.324 0.000) 3.459 2.929 ( -5.245 -1.251 0.000) 5.392 2.929 ( -5.245 1.251 0.000) 5.392 3.129 ( -3.840 -6.711 0.000) 7.732 3.129 ( -3.840 6.711 0.000) 7.732 3.178 ( -0.499 -3.967 0.000) 3.998 3.178 ( -0.499 3.967 0.000) 3.998 3.193 ( -0.474 -0.730 0.000) 0.870 3.193 ( -0.474 0.730 0.000) 0.870 3.334 ( -3.960 -6.562 0.000) 7.665 3.334 ( -3.960 6.562 0.000) 7.665 3.354 ( 2.698 -0.439 0.000) 2.734 3.354 ( 2.698 0.439 0.000) 2.734 4.148 ( 10.944 -0.529 0.000) 10.957 4.148 ( 10.944 0.529 0.000) 10.957 4.218 ( 14.073 -0.913 0.000) 14.102 4.218 ( 14.073 0.913 0.000) 14.102 4.487 ( 1.443 -3.443 0.000) 3.733 4.487 ( 1.443 3.443 0.000) 3.733 4.630 ( 1.689 -1.278 0.000) 2.118 4.630 ( 1.689 1.278 0.000) 2.118 4.698 ( 0.941 -5.802 0.000) 5.878 4.698 ( 0.941 5.802 0.000) 5.878 4.994 ( 2.080 -5.562 0.000) 5.938 4.994 ( 2.080 5.562 0.000) 5.938 5.001 ( -1.890 -0.989 0.000) 2.133 5.001 ( -1.890 0.989 0.000) 2.133 5.029 ( 8.838 -0.320 0.000) 8.844 5.029 ( 8.838 0.320 0.000) 8.844 5.324 ( -1.270 -3.428 0.000) 3.655 5.324 ( -1.270 3.428 0.000) 3.655 5.536 ( 2.300 -2.216 0.000) 3.194 5.536 ( 2.300 2.216 0.000) 3.194 5.630 ( 0.560 -3.558 0.000) 3.602 5.630 ( 0.560 3.558 0.000) 3.602 6.252 ( -3.595 -6.023 0.000) 7.014 6.252 ( -3.595 6.023 0.000) 7.014 6.516 ( 1.345 -2.201 0.000) 2.579 6.516 ( 1.345 2.201 0.000) 2.579 6.571 ( -0.985 -3.727 0.000) 3.855 6.571 ( -0.985 3.727 0.000) 3.855 6.788 ( -2.659 -0.713 0.000) 2.753 6.788 ( -2.659 0.713 0.000) 2.753 7.016 ( -1.319 -5.049 0.000) 5.218 7.016 ( -1.319 5.049 0.000) 5.218 7.016 ( 1.765 -3.183 0.000) 3.639 7.016 ( 1.765 3.183 0.000) 3.639 7.529 ( -5.362 -2.544 0.000) 5.935 7.529 ( -5.362 2.544 0.000) 5.935 7.725 ( -2.771 -3.491 0.000) 4.457 7.725 ( -2.771 3.491 0.000) 4.457 7.870 ( -7.379 -2.588 0.000) 7.819 7.870 ( -7.379 2.588 0.000) 7.819 ======================= Grid point 22 (13/60) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 10.928 -9.931 0.000) 14.766 0.982 ( 10.928 9.931 0.000) 14.766 1.083 ( 11.114 -14.594 0.000) 18.344 1.083 ( 11.114 14.594 0.000) 18.344 1.617 ( -3.279 -3.962 0.000) 5.143 1.617 ( -3.279 3.962 0.000) 5.143 1.631 ( -4.661 -1.304 0.000) 4.840 1.631 ( -4.661 1.304 0.000) 4.840 1.638 ( 16.111 -15.669 0.000) 22.474 1.638 ( 16.111 15.669 0.000) 22.474 1.970 ( -2.462 -3.700 0.000) 4.444 1.970 ( -2.462 3.700 0.000) 4.444 2.149 ( -5.968 -10.750 0.000) 12.295 2.149 ( -5.968 10.750 0.000) 12.295 2.195 ( 3.584 -2.681 0.000) 4.476 2.195 ( 3.584 2.681 0.000) 4.476 2.353 ( 5.030 -3.513 0.000) 6.135 2.353 ( 5.030 3.513 0.000) 6.135 2.523 ( 3.899 -3.168 0.000) 5.023 2.523 ( 3.899 3.168 0.000) 5.023 2.785 ( -8.837 -2.968 0.000) 9.322 2.785 ( -8.837 2.968 0.000) 9.322 3.045 ( -4.218 -5.652 0.000) 7.052 3.045 ( -4.218 5.652 0.000) 7.052 3.161 ( -4.533 -2.841 0.000) 5.350 3.161 ( -4.533 2.841 0.000) 5.350 3.185 ( 0.560 -3.263 0.000) 3.311 3.185 ( 0.560 3.263 0.000) 3.311 3.282 ( 0.536 -4.788 0.000) 4.818 3.282 ( 0.536 4.788 0.000) 4.818 3.394 ( 1.316 -3.031 0.000) 3.304 3.394 ( 1.316 3.031 0.000) 3.304 4.321 ( 7.990 -1.217 0.000) 8.082 4.321 ( 7.990 1.217 0.000) 8.082 4.523 ( 2.083 -2.615 0.000) 3.343 4.523 ( 2.083 2.615 0.000) 3.343 4.591 ( 16.307 -2.379 0.000) 16.479 4.591 ( 16.307 2.379 0.000) 16.479 4.709 ( 9.281 -1.681 0.000) 9.432 4.709 ( 9.281 1.681 0.000) 9.432 4.726 ( 1.929 -5.618 0.000) 5.940 4.726 ( 1.929 5.618 0.000) 5.940 4.949 ( -3.400 -1.179 0.000) 3.599 4.949 ( -3.400 1.179 0.000) 3.599 5.021 ( 3.306 -3.739 0.000) 4.991 5.021 ( 3.306 3.739 0.000) 4.991 5.198 ( 6.744 -4.692 0.000) 8.216 5.198 ( 6.744 4.692 0.000) 8.216 5.291 ( -2.004 -2.966 0.000) 3.580 5.291 ( -2.004 2.966 0.000) 3.580 5.623 ( 6.036 -6.166 0.000) 8.628 5.623 ( 6.036 6.166 0.000) 8.628 5.644 ( 0.906 -3.445 0.000) 3.562 5.644 ( 0.906 3.445 0.000) 3.562 6.206 ( 0.382 -11.045 0.000) 11.052 6.206 ( 0.382 11.045 0.000) 11.052 6.527 ( -4.518 -1.905 0.000) 4.903 6.527 ( -4.518 1.905 0.000) 4.903 6.551 ( 2.195 -2.787 0.000) 3.547 6.551 ( 2.195 2.787 0.000) 3.547 6.709 ( -5.244 -2.238 0.000) 5.701 6.709 ( -5.244 2.238 0.000) 5.701 6.972 ( -3.507 -6.623 0.000) 7.494 6.972 ( -3.507 6.623 0.000) 7.494 7.054 ( 2.042 -3.644 0.000) 4.178 7.054 ( 2.042 3.644 0.000) 4.178 7.390 ( -8.448 -3.209 0.000) 9.037 7.390 ( -8.448 3.209 0.000) 9.037 7.655 ( -4.070 -3.943 0.000) 5.667 7.655 ( -4.070 3.943 0.000) 5.667 7.722 ( -7.023 -5.152 0.000) 8.710 7.722 ( -7.023 5.152 0.000) 8.710 ======================= Grid point 24 (14/60) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( 9.433 -8.731 0.000) 12.853 1.185 ( 9.433 8.731 0.000) 12.853 1.277 ( 7.281 -9.761 0.000) 12.177 1.277 ( 7.281 9.761 0.000) 12.177 1.560 ( -1.350 -2.363 0.000) 2.722 1.560 ( -1.350 2.363 0.000) 2.722 1.567 ( -1.104 -5.718 0.000) 5.823 1.567 ( -1.104 5.718 0.000) 5.823 1.873 ( -5.783 -3.125 0.000) 6.573 1.873 ( -5.783 3.125 0.000) 6.573 1.932 ( 6.374 -8.881 0.000) 10.932 1.932 ( 6.374 8.881 0.000) 10.932 2.031 ( 0.851 -6.020 0.000) 6.080 2.031 ( 0.851 6.020 0.000) 6.080 2.311 ( 7.107 -3.367 0.000) 7.865 2.311 ( 7.107 3.367 0.000) 7.865 2.428 ( -0.863 -6.027 0.000) 6.088 2.428 ( -0.863 6.027 0.000) 6.088 2.546 ( -2.068 -5.726 0.000) 6.088 2.546 ( -2.068 5.726 0.000) 6.088 2.647 ( -1.724 -1.691 0.000) 2.415 2.647 ( -1.724 1.691 0.000) 2.415 2.939 ( -8.116 -6.032 0.000) 10.112 2.939 ( -8.116 6.032 0.000) 10.112 3.089 ( -0.210 -1.925 0.000) 1.937 3.089 ( -0.210 1.925 0.000) 1.937 3.179 ( -1.434 -3.814 0.000) 4.074 3.179 ( -1.434 3.814 0.000) 4.074 3.328 ( 3.045 -1.018 0.000) 3.211 3.328 ( 3.045 1.018 0.000) 3.211 3.403 ( -0.360 -3.897 0.000) 3.914 3.403 ( -0.360 3.897 0.000) 3.914 4.461 ( 6.190 -0.762 0.000) 6.237 4.461 ( 6.190 0.762 0.000) 6.237 4.557 ( 1.036 -1.365 0.000) 1.714 4.557 ( 1.036 1.365 0.000) 1.714 4.718 ( 3.211 -1.297 0.000) 3.463 4.718 ( 3.211 1.297 0.000) 3.463 4.769 ( 2.266 -5.470 0.000) 5.920 4.769 ( 2.266 5.470 0.000) 5.920 4.873 ( 1.442 -4.518 0.000) 4.742 4.873 ( 1.442 4.518 0.000) 4.742 4.877 ( -3.557 -1.407 0.000) 3.825 4.877 ( -3.557 1.407 0.000) 3.825 5.152 ( 4.900 -3.799 0.000) 6.200 5.152 ( 4.900 3.799 0.000) 6.200 5.250 ( -2.229 -2.243 0.000) 3.162 5.250 ( -2.229 2.243 0.000) 3.162 5.441 ( 23.003 -1.098 0.000) 23.030 5.441 ( 23.003 1.098 0.000) 23.030 5.665 ( 1.260 -3.260 0.000) 3.494 5.665 ( 1.260 3.260 0.000) 3.494 5.703 ( 1.341 -4.123 0.000) 4.335 5.703 ( 1.341 4.123 0.000) 4.335 6.311 ( 10.176 -13.468 0.000) 16.880 6.311 ( 10.176 13.468 0.000) 16.880 6.338 ( -15.728 -0.932 0.000) 15.755 6.338 ( -15.728 0.932 0.000) 15.755 6.599 ( 2.929 -3.533 0.000) 4.589 6.599 ( 2.929 3.533 0.000) 4.589 6.619 ( -3.732 -4.805 0.000) 6.084 6.619 ( -3.732 4.805 0.000) 6.084 6.862 ( -8.192 -7.708 0.000) 11.248 6.862 ( -8.192 7.708 0.000) 11.248 7.094 ( 2.170 -4.660 0.000) 5.140 7.094 ( 2.170 4.660 0.000) 5.140 7.235 ( -6.610 -4.707 0.000) 8.114 7.235 ( -6.610 4.707 0.000) 8.114 7.586 ( -2.596 -4.705 0.000) 5.374 7.586 ( -2.596 4.705 0.000) 5.374 7.613 ( -4.115 -5.465 0.000) 6.841 7.613 ( -4.115 5.465 0.000) 6.841 ======================= Grid point 26 (15/60) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( -3.094 -6.986 0.000) 7.640 1.314 ( 3.094 -6.986 0.000) 7.640 1.314 ( -3.094 6.986 0.000) 7.640 1.314 ( 3.094 6.986 0.000) 7.640 1.569 ( -0.927 -5.873 0.000) 5.946 1.569 ( 0.927 -5.873 0.000) 5.946 1.569 ( -0.927 5.873 0.000) 5.946 1.569 ( 0.927 5.873 0.000) 5.946 1.837 ( -4.110 -4.180 0.000) 5.862 1.837 ( 4.110 -4.180 0.000) 5.862 1.837 ( -4.110 4.180 0.000) 5.862 1.837 ( 4.110 4.180 0.000) 5.862 2.258 ( -12.454 -0.841 0.000) 12.482 2.258 ( -12.454 0.841 0.000) 12.482 2.258 ( 12.454 -0.841 0.000) 12.482 2.258 ( 12.454 0.841 0.000) 12.482 2.456 ( -6.422 -4.881 0.000) 8.067 2.456 ( 6.422 -4.881 0.000) 8.067 2.456 ( -6.422 4.881 0.000) 8.067 2.456 ( 6.422 4.881 0.000) 8.067 2.757 ( -9.459 -5.709 0.000) 11.049 2.757 ( 9.459 -5.709 0.000) 11.049 2.757 ( -9.459 5.709 0.000) 11.049 2.757 ( 9.459 5.709 0.000) 11.049 3.131 ( -3.125 -4.529 0.000) 5.502 3.131 ( 3.125 -4.529 0.000) 5.502 3.131 ( -3.125 4.529 0.000) 5.502 3.131 ( 3.125 4.529 0.000) 5.502 3.380 ( -2.042 -2.671 0.000) 3.362 3.380 ( 2.042 -2.671 0.000) 3.362 3.380 ( -2.042 2.671 0.000) 3.362 3.380 ( 2.042 2.671 0.000) 3.362 4.547 ( -2.426 -0.639 0.000) 2.509 4.547 ( -2.426 0.639 0.000) 2.509 4.547 ( 2.426 -0.639 0.000) 2.509 4.547 ( 2.426 0.639 0.000) 2.509 4.772 ( -2.372 -1.969 0.000) 3.083 4.772 ( 2.372 -1.969 0.000) 3.083 4.772 ( -2.372 1.969 0.000) 3.083 4.772 ( 2.372 1.969 0.000) 3.083 4.855 ( -1.599 -3.037 0.000) 3.432 4.855 ( 1.599 -3.037 0.000) 3.432 4.855 ( -1.599 3.037 0.000) 3.432 4.855 ( 1.599 3.037 0.000) 3.432 5.207 ( -2.189 -1.040 0.000) 2.424 5.207 ( -2.189 1.040 0.000) 2.424 5.207 ( 2.189 -1.040 0.000) 2.424 5.207 ( 2.189 1.040 0.000) 2.424 5.692 ( -1.260 -3.022 0.000) 3.274 5.692 ( 1.260 -3.022 0.000) 3.274 5.692 ( -1.260 3.022 0.000) 3.274 5.692 ( 1.260 3.022 0.000) 3.274 5.938 ( -24.606 -0.253 0.000) 24.607 5.938 ( -24.606 0.253 0.000) 24.607 5.938 ( 24.606 -0.253 0.000) 24.607 5.938 ( 24.606 0.253 0.000) 24.607 6.520 ( -8.468 -7.786 0.000) 11.504 6.520 ( 8.468 -7.786 0.000) 11.504 6.520 ( -8.468 7.786 0.000) 11.504 6.520 ( 8.468 7.786 0.000) 11.504 6.687 ( -7.456 -5.542 0.000) 9.290 6.687 ( 7.456 -5.542 0.000) 9.290 6.687 ( -7.456 5.542 0.000) 9.290 6.687 ( 7.456 5.542 0.000) 9.290 7.144 ( -3.228 -5.396 0.000) 6.288 7.144 ( 3.228 -5.396 0.000) 6.288 7.144 ( -3.228 5.396 0.000) 6.288 7.144 ( 3.228 5.396 0.000) 6.288 7.566 ( -0.681 -5.260 0.000) 5.304 7.566 ( 0.681 -5.260 0.000) 5.304 7.566 ( -0.681 5.260 0.000) 5.304 7.566 ( 0.681 5.260 0.000) 5.304 ======================= Grid point 45 (16/60) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.392 ( 0.000 0.000 18.336) 18.336 0.445 ( 0.000 0.000 20.597) 20.597 0.815 ( 0.000 0.000 37.405) 37.405 1.182 ( 0.000 0.000 4.340) 4.340 1.307 ( 0.000 0.000 -2.309) 2.309 1.542 ( 0.000 0.000 5.027) 5.027 1.586 ( 0.000 0.000 1.076) 1.076 1.764 ( 0.000 0.000 -2.259) 2.259 1.832 ( 0.000 0.000 -4.319) 4.319 1.906 ( 0.000 0.000 -4.532) 4.532 1.953 ( 0.000 0.000 -2.212) 2.212 1.995 ( 0.000 0.000 7.124) 7.124 2.013 ( 0.000 0.000 0.198) 0.198 2.018 ( 0.000 0.000 2.355) 2.355 2.213 ( 0.000 0.000 3.647) 3.647 2.244 ( 0.000 0.000 12.016) 12.016 2.350 ( 0.000 0.000 -1.806) 1.806 2.391 ( 0.000 0.000 -1.746) 1.746 2.513 ( 0.000 0.000 -1.877) 1.877 2.718 ( 0.000 0.000 -0.942) 0.942 2.756 ( 0.000 0.000 -0.321) 0.321 2.811 ( 0.000 0.000 -7.529) 7.529 2.883 ( 0.000 0.000 -1.815) 1.815 2.995 ( 0.000 0.000 -1.953) 1.953 3.070 ( 0.000 0.000 -2.471) 2.471 3.157 ( 0.000 0.000 -4.747) 4.747 3.222 ( 0.000 0.000 1.699) 1.699 3.252 ( 0.000 0.000 1.672) 1.672 3.321 ( 0.000 0.000 -4.879) 4.879 3.323 ( 0.000 0.000 1.470) 1.470 3.405 ( 0.000 0.000 -7.236) 7.236 3.476 ( 0.000 0.000 1.356) 1.356 4.033 ( 0.000 0.000 3.845) 3.845 4.048 ( 0.000 0.000 2.946) 2.946 4.156 ( 0.000 0.000 5.481) 5.481 4.163 ( 0.000 0.000 5.508) 5.508 4.408 ( 0.000 0.000 -0.269) 0.269 4.515 ( 0.000 0.000 -0.461) 0.461 4.529 ( 0.000 0.000 -5.104) 5.104 4.656 ( 0.000 0.000 2.304) 2.304 4.730 ( 0.000 0.000 2.652) 2.652 4.744 ( 0.000 0.000 -4.696) 4.696 4.821 ( 0.000 0.000 0.689) 0.689 4.869 ( 0.000 0.000 2.267) 2.267 4.919 ( 0.000 0.000 0.460) 0.460 4.923 ( 0.000 0.000 -3.257) 3.257 4.938 ( 0.000 0.000 2.987) 2.987 5.245 ( 0.000 0.000 5.409) 5.409 5.315 ( 0.000 0.000 5.364) 5.364 5.368 ( 0.000 0.000 3.280) 3.280 5.407 ( 0.000 0.000 -1.518) 1.518 5.555 ( 0.000 0.000 -1.159) 1.159 5.771 ( 0.000 0.000 4.984) 4.984 5.797 ( 0.000 0.000 -3.048) 3.048 6.132 ( 0.000 0.000 -4.439) 4.439 6.347 ( 0.000 0.000 -1.374) 1.374 6.390 ( 0.000 0.000 -1.419) 1.419 6.477 ( 0.000 0.000 -4.055) 4.055 6.505 ( 0.000 0.000 0.516) 0.516 6.707 ( 0.000 0.000 -1.099) 1.099 6.824 ( 0.000 0.000 -2.988) 2.988 6.860 ( 0.000 0.000 -1.267) 1.267 6.971 ( 0.000 0.000 3.217) 3.217 7.076 ( 0.000 0.000 0.100) 0.100 7.140 ( 0.000 0.000 0.407) 0.407 7.391 ( 0.000 0.000 -2.921) 2.921 7.402 ( 0.000 0.000 -0.917) 0.917 7.569 ( 0.000 0.000 1.912) 1.912 7.671 ( 0.000 0.000 2.286) 2.286 7.707 ( 0.000 0.000 -0.902) 0.902 7.763 ( 0.000 0.000 -5.831) 5.831 7.923 ( 0.000 0.000 -1.502) 1.502 ======================= Grid point 46 (17/60) ======================= q-point: ( 0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( 10.484 0.000 16.252) 19.340 0.579 ( 14.156 0.000 12.926) 19.170 1.003 ( 18.099 0.000 28.130) 33.449 1.201 ( 2.133 0.000 3.118) 3.778 1.364 ( 5.267 0.000 -1.565) 5.494 1.533 ( 0.107 0.000 3.301) 3.303 1.626 ( 2.918 0.000 1.785) 3.421 1.747 ( -0.194 0.000 -3.557) 3.563 1.774 ( -6.160 0.000 -1.158) 6.268 1.869 ( -5.879 0.000 3.631) 6.910 1.939 ( -2.279 0.000 -5.331) 5.798 1.943 ( -2.663 0.000 -1.252) 2.943 1.996 ( 4.778 0.000 -2.511) 5.397 2.129 ( 4.717 0.000 5.656) 7.365 2.281 ( 3.109 0.000 10.294) 10.753 2.300 ( 2.245 0.000 0.908) 2.421 2.357 ( 1.539 0.000 -1.845) 2.403 2.380 ( 0.637 0.000 -3.646) 3.701 2.494 ( 0.016 0.000 -0.230) 0.231 2.658 ( -8.797 0.000 -3.987) 9.658 2.726 ( -0.849 0.000 -4.812) 4.886 2.801 ( -2.342 0.000 -1.631) 2.855 2.935 ( 4.239 0.000 1.674) 4.558 2.986 ( 0.643 0.000 -3.437) 3.497 3.004 ( -5.498 0.000 -1.292) 5.647 3.160 ( 0.338 0.000 -3.453) 3.469 3.189 ( -0.328 0.000 4.105) 4.118 3.244 ( 0.363 0.000 2.567) 2.593 3.273 ( -4.466 0.000 -3.815) 5.873 3.392 ( 3.132 0.000 -2.266) 3.866 3.403 ( 1.359 0.000 -3.361) 3.626 3.465 ( -1.311 0.000 2.432) 2.763 4.189 ( 10.662 0.000 4.192) 11.456 4.194 ( 14.886 0.000 3.444) 15.279 4.264 ( 13.205 0.000 4.063) 13.816 4.269 ( 7.023 0.000 0.985) 7.091 4.425 ( 1.826 0.000 -0.030) 1.826 4.515 ( 2.054 0.000 -2.738) 3.423 4.572 ( 2.495 0.000 2.463) 3.505 4.675 ( 1.545 0.000 2.406) 2.859 4.744 ( -0.157 0.000 -4.199) 4.202 4.770 ( 3.814 0.000 -0.182) 3.818 4.857 ( 0.900 0.000 2.633) 2.783 4.860 ( 1.925 0.000 -0.747) 2.065 4.914 ( -0.275 0.000 -0.810) 0.855 4.986 ( 7.904 0.000 -1.829) 8.113 5.113 ( 8.598 0.000 2.589) 8.979 5.239 ( -0.451 0.000 5.398) 5.417 5.316 ( 0.541 0.000 5.875) 5.899 5.389 ( -0.330 0.000 -2.124) 2.149 5.409 ( 3.109 0.000 -1.664) 3.526 5.546 ( -0.853 0.000 -0.936) 1.267 5.759 ( -0.986 0.000 3.768) 3.895 5.797 ( -0.055 0.000 -2.646) 2.646 6.059 ( -6.393 0.000 -2.751) 6.960 6.336 ( -0.571 0.000 -4.864) 4.898 6.402 ( 1.275 0.000 -2.535) 2.838 6.498 ( 2.113 0.000 -4.098) 4.611 6.547 ( 2.931 0.000 -0.851) 3.052 6.673 ( -3.584 0.000 -1.020) 3.726 6.797 ( -2.748 0.000 -2.295) 3.580 6.840 ( -2.159 0.000 -1.199) 2.470 6.931 ( -3.544 0.000 4.276) 5.554 7.090 ( 1.177 0.000 -0.285) 1.211 7.144 ( 0.296 0.000 0.230) 0.375 7.256 ( -9.516 0.000 6.578) 11.568 7.375 ( -1.814 0.000 -3.083) 3.577 7.516 ( -5.043 0.000 1.701) 5.322 7.597 ( -7.994 0.000 2.143) 8.277 7.641 ( -3.314 0.000 1.402) 3.598 7.741 ( -2.169 0.000 -5.403) 5.822 7.881 ( -4.048 0.000 -1.489) 4.313 ======================= Grid point 47 (18/60) ======================= q-point: ( 0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( 12.922 0.000 11.003) 16.972 0.860 ( 14.568 0.000 10.381) 17.889 1.269 ( 5.117 0.000 2.097) 5.530 1.419 ( 22.278 0.000 14.239) 26.440 1.485 ( 6.179 0.000 -2.265) 6.581 1.547 ( 1.487 0.000 1.638) 2.212 1.619 ( -8.268 0.000 4.044) 9.204 1.649 ( -0.425 0.000 0.524) 0.674 1.774 ( -3.833 0.000 -0.694) 3.895 1.791 ( 0.168 0.000 -2.897) 2.902 1.860 ( -0.387 0.000 -1.041) 1.110 1.880 ( -3.819 0.000 -5.415) 6.626 2.134 ( -4.260 0.000 2.884) 5.144 2.146 ( 8.815 0.000 -4.394) 9.849 2.284 ( -1.445 0.000 2.016) 2.481 2.301 ( -4.629 0.000 1.612) 4.902 2.351 ( -3.030 0.000 -4.120) 5.114 2.443 ( 5.590 0.000 1.147) 5.707 2.501 ( -2.046 0.000 -2.049) 2.895 2.588 ( 6.598 0.000 0.651) 6.629 2.666 ( -4.552 0.000 -7.388) 8.677 2.732 ( -4.218 0.000 3.878) 5.730 2.833 ( -8.985 0.000 -0.889) 9.028 2.998 ( -0.944 0.000 -4.894) 4.984 3.048 ( 0.821 0.000 2.165) 2.315 3.171 ( -0.006 0.000 -0.940) 0.940 3.199 ( 4.502 0.000 -1.790) 4.844 3.206 ( -1.719 0.000 4.466) 4.786 3.272 ( 2.047 0.000 2.912) 3.559 3.374 ( -1.319 0.000 -3.135) 3.401 3.433 ( -1.574 0.000 4.735) 4.989 3.482 ( 3.071 0.000 0.257) 3.082 4.362 ( 8.153 0.000 5.928) 10.080 4.381 ( 5.958 0.000 1.570) 6.162 4.463 ( 6.221 0.000 -1.501) 6.400 4.463 ( 3.337 0.000 -0.358) 3.356 4.617 ( 3.890 0.000 2.337) 4.538 4.663 ( 9.288 0.000 4.151) 10.173 4.670 ( 21.976 0.000 2.034) 22.069 4.708 ( 2.395 0.000 2.686) 3.599 4.738 ( 1.124 0.000 -3.847) 4.008 4.856 ( 6.341 0.000 -2.394) 6.778 4.859 ( -1.628 0.000 -2.884) 3.312 4.927 ( 1.781 0.000 2.201) 2.831 4.955 ( 11.511 0.000 1.671) 11.631 5.159 ( 6.104 0.000 0.206) 6.108 5.185 ( 1.078 0.000 11.679) 11.729 5.237 ( 0.419 0.000 3.745) 3.768 5.362 ( -1.571 0.000 -0.937) 1.829 5.380 ( 6.346 0.000 6.348) 8.976 5.493 ( 3.600 0.000 -2.801) 4.561 5.540 ( 2.224 0.000 -2.483) 3.333 5.747 ( 0.125 0.000 3.097) 3.099 5.803 ( 1.618 0.000 -3.358) 3.727 5.913 ( -8.343 0.000 -1.924) 8.562 6.349 ( 2.045 0.000 -9.456) 9.675 6.431 ( 1.568 0.000 -3.228) 3.589 6.557 ( 1.743 0.000 -3.531) 3.938 6.564 ( -5.738 0.000 -1.305) 5.885 6.588 ( 0.570 0.000 -2.922) 2.977 6.701 ( -6.959 0.000 0.325) 6.966 6.769 ( -5.467 0.000 -1.052) 5.567 6.881 ( -0.631 0.000 3.994) 4.044 7.091 ( -2.607 0.000 2.317) 3.488 7.137 ( -1.961 0.000 -0.506) 2.025 7.151 ( -0.631 0.000 1.724) 1.836 7.308 ( -5.060 0.000 -2.225) 5.527 7.409 ( -4.724 0.000 0.545) 4.755 7.420 ( -10.101 0.000 1.796) 10.259 7.548 ( -6.051 0.000 0.694) 6.091 7.688 ( -2.995 0.000 -4.561) 5.456 7.782 ( -5.681 0.000 -1.760) 5.948 ======================= Grid point 48 (19/60) ======================= q-point: ( 0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 11.145 0.000 7.792) 13.599 1.137 ( 13.914 0.000 7.902) 16.001 1.399 ( 2.765 0.000 1.907) 3.359 1.417 ( -3.363 0.000 4.357) 5.504 1.542 ( -1.966 0.000 1.638) 2.559 1.630 ( -0.934 0.000 -0.588) 1.103 1.645 ( 5.326 0.000 -3.536) 6.393 1.655 ( -6.178 0.000 2.240) 6.572 1.725 ( -1.637 0.000 -1.743) 2.391 1.817 ( -0.326 0.000 -4.068) 4.081 1.872 ( 19.651 0.000 2.934) 19.868 1.988 ( 8.693 0.000 -6.175) 10.663 1.991 ( -9.888 0.000 2.765) 10.268 2.115 ( -10.827 0.000 -7.987) 13.454 2.215 ( -3.236 0.000 -3.980) 5.129 2.292 ( 1.962 0.000 0.635) 2.062 2.383 ( 7.291 0.000 -3.414) 8.051 2.504 ( 3.049 0.000 6.097) 6.817 2.520 ( -8.124 0.000 -3.439) 8.821 2.598 ( -9.027 0.000 -3.576) 9.710 2.608 ( 4.280 0.000 1.592) 4.567 2.662 ( 0.253 0.000 3.199) 3.209 2.753 ( 0.417 0.000 1.628) 1.681 2.933 ( -5.481 0.000 -5.342) 7.653 2.969 ( -3.009 0.000 -0.506) 3.051 3.141 ( -4.953 0.000 4.455) 6.662 3.262 ( 5.916 0.000 5.107) 7.815 3.300 ( 3.134 0.000 1.169) 3.345 3.314 ( 2.636 0.000 0.997) 2.819 3.369 ( 2.072 0.000 0.269) 2.089 3.407 ( -1.542 0.000 6.290) 6.476 3.506 ( -0.699 0.000 0.226) 0.735 4.482 ( 4.336 0.000 0.511) 4.366 4.500 ( 5.508 0.000 4.953) 7.407 4.521 ( 2.938 0.000 0.990) 3.101 4.536 ( 2.112 0.000 -0.032) 2.113 4.677 ( 2.264 0.000 2.086) 3.078 4.699 ( -0.252 0.000 0.587) 0.639 4.714 ( -0.461 0.000 -3.427) 3.458 4.791 ( 3.786 0.000 4.663) 6.006 4.806 ( -3.327 0.000 -2.260) 4.022 4.929 ( -0.450 0.000 1.104) 1.192 4.971 ( 2.752 0.000 2.301) 3.587 5.011 ( 5.291 0.000 1.750) 5.573 5.226 ( 3.848 0.000 9.495) 10.246 5.252 ( 1.249 0.000 3.270) 3.500 5.295 ( 6.557 0.000 7.166) 9.713 5.322 ( 2.981 0.000 0.583) 3.038 5.399 ( 22.790 0.000 1.780) 22.859 5.459 ( 8.654 0.000 -0.245) 8.658 5.542 ( 2.301 0.000 -0.110) 2.304 5.639 ( 2.687 0.000 -4.243) 5.022 5.753 ( -7.242 0.000 -1.356) 7.368 5.774 ( 3.359 0.000 1.314) 3.607 5.970 ( 17.020 0.000 -1.633) 17.098 6.344 ( -10.330 0.000 -5.536) 11.720 6.344 ( -14.872 0.000 0.258) 14.874 6.458 ( 0.976 0.000 -3.828) 3.950 6.469 ( -4.273 0.000 -3.214) 5.347 6.603 ( -9.008 0.000 -2.395) 9.320 6.669 ( 4.331 0.000 -2.595) 5.049 6.698 ( 5.858 0.000 -2.154) 6.241 6.899 ( 1.760 0.000 3.027) 3.502 7.010 ( -10.408 0.000 -1.867) 10.574 7.025 ( -3.469 0.000 2.841) 4.484 7.118 ( -6.939 0.000 -3.312) 7.689 7.255 ( 0.291 0.000 -0.596) 0.663 7.268 ( -1.782 0.000 2.560) 3.119 7.340 ( -2.963 0.000 -0.851) 3.083 7.424 ( -6.318 0.000 0.189) 6.321 7.639 ( -1.700 0.000 -3.765) 4.131 7.682 ( -4.173 0.000 -2.473) 4.851 ======================= Grid point 49 (20/60) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( -9.474 0.000 6.166) 11.304 1.229 ( 9.474 0.000 6.166) 11.304 1.389 ( -11.776 0.000 5.552) 13.019 1.389 ( 11.776 0.000 5.552) 13.019 1.584 ( -8.511 0.000 -1.043) 8.575 1.584 ( 8.511 0.000 -1.043) 8.575 1.614 ( -0.532 0.000 -0.796) 0.958 1.614 ( 0.532 0.000 -0.796) 0.958 1.799 ( -8.114 0.000 -0.649) 8.140 1.799 ( 8.114 0.000 -0.649) 8.140 1.923 ( -8.814 0.000 -6.026) 10.677 1.923 ( 8.814 0.000 -6.026) 10.677 2.121 ( -6.017 0.000 -7.340) 9.491 2.121 ( 6.017 0.000 -7.340) 9.491 2.237 ( -14.222 0.000 -1.748) 14.329 2.237 ( 14.222 0.000 -1.748) 14.329 2.395 ( -4.779 0.000 0.420) 4.798 2.395 ( 4.779 0.000 0.420) 4.798 2.565 ( -3.355 0.000 7.073) 7.829 2.565 ( 3.355 0.000 7.073) 7.829 2.634 ( -9.767 0.000 -1.153) 9.835 2.634 ( 9.767 0.000 -1.153) 9.835 2.798 ( -8.078 0.000 -4.012) 9.020 2.798 ( 8.078 0.000 -4.012) 9.020 3.028 ( -6.163 0.000 3.039) 6.872 3.028 ( 6.163 0.000 3.039) 6.872 3.327 ( -0.556 0.000 1.740) 1.826 3.327 ( 0.556 0.000 1.740) 1.826 3.358 ( -3.721 0.000 6.344) 7.355 3.358 ( 3.721 0.000 6.344) 7.355 3.455 ( -4.378 0.000 0.318) 4.389 3.455 ( 4.378 0.000 0.318) 4.389 4.542 ( -1.621 0.000 0.668) 1.753 4.542 ( 1.621 0.000 0.668) 1.753 4.555 ( -0.506 0.000 2.608) 2.657 4.555 ( 0.506 0.000 2.608) 2.657 4.697 ( -0.304 0.000 0.235) 0.384 4.697 ( 0.304 0.000 0.235) 0.384 4.738 ( -3.092 0.000 -2.145) 3.763 4.738 ( 3.092 0.000 -2.145) 3.763 4.872 ( -4.314 0.000 4.629) 6.327 4.872 ( 4.314 0.000 4.629) 6.327 5.018 ( -1.905 0.000 2.278) 2.970 5.018 ( 1.905 0.000 2.278) 2.970 5.289 ( -2.481 0.000 5.186) 5.749 5.289 ( 2.481 0.000 5.186) 5.749 5.299 ( -2.758 0.000 4.368) 5.166 5.299 ( 2.758 0.000 4.368) 5.166 5.592 ( -4.221 0.000 0.113) 4.222 5.592 ( 4.221 0.000 0.113) 4.222 5.638 ( -3.000 0.000 -3.430) 4.557 5.638 ( 3.000 0.000 -3.430) 4.557 5.957 ( -24.655 0.000 -0.547) 24.661 5.957 ( 24.655 0.000 -0.547) 24.661 5.998 ( -19.117 0.000 1.443) 19.171 5.998 ( 19.117 0.000 1.443) 19.171 6.331 ( -17.585 0.000 -1.398) 17.641 6.331 ( 17.585 0.000 -1.398) 17.641 6.467 ( -0.282 0.000 -4.341) 4.350 6.467 ( 0.282 0.000 -4.341) 4.350 6.811 ( -9.165 0.000 -2.841) 9.595 6.811 ( 9.165 0.000 -2.841) 9.595 6.860 ( -8.802 0.000 -2.103) 9.049 6.860 ( 8.802 0.000 -2.103) 9.049 6.988 ( -2.407 0.000 1.453) 2.812 6.988 ( 2.407 0.000 1.453) 2.812 7.287 ( -2.444 0.000 -0.805) 2.573 7.287 ( 2.444 0.000 -0.805) 2.573 7.316 ( -4.604 0.000 0.482) 4.630 7.316 ( 4.604 0.000 0.482) 4.630 7.631 ( -1.044 0.000 -3.159) 3.327 7.631 ( 1.044 0.000 -3.159) 3.327 ======================= Grid point 54 (21/60) ======================= q-point: ( 0.00 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( 0.000 10.630 13.584) 17.248 0.525 ( 0.000 9.832 13.869) 17.001 1.014 ( 0.000 1.992 18.777) 18.882 1.078 ( 0.000 5.937 15.911) 16.983 1.131 ( 0.000 -13.821 -0.498) 13.830 1.641 ( 0.000 7.161 3.342) 7.902 1.682 ( 0.000 6.327 1.936) 6.617 1.744 ( 0.000 -3.214 -3.543) 4.784 1.859 ( 0.000 -2.626 1.541) 3.045 1.893 ( 0.000 -6.589 7.657) 10.102 1.897 ( 0.000 -0.884 -3.633) 3.739 1.928 ( 0.000 -4.517 3.695) 5.836 2.034 ( 0.000 4.656 -4.398) 6.405 2.086 ( 0.000 5.453 2.759) 6.111 2.121 ( 0.000 1.582 4.178) 4.468 2.301 ( 0.000 -4.896 -1.994) 5.286 2.329 ( 0.000 1.293 5.759) 5.903 2.364 ( 0.000 -4.152 -4.501) 6.124 2.439 ( 0.000 -3.742 1.265) 3.950 2.507 ( 0.000 -10.308 -1.602) 10.432 2.919 ( 0.000 7.354 -7.595) 10.572 2.934 ( 0.000 4.324 -2.288) 4.892 2.954 ( 0.000 9.103 0.561) 9.121 3.004 ( 0.000 0.567 -0.780) 0.965 3.095 ( 0.000 1.675 -4.264) 4.581 3.163 ( 0.000 1.409 -5.851) 6.019 3.226 ( 0.000 1.508 -0.693) 1.659 3.261 ( 0.000 -2.471 -2.648) 3.622 3.288 ( 0.000 -1.566 -0.247) 1.585 3.321 ( 0.000 -0.072 1.655) 1.656 3.401 ( 0.000 -1.225 -6.853) 6.961 3.435 ( 0.000 -3.816 1.398) 4.064 4.035 ( 0.000 0.211 3.730) 3.736 4.046 ( 0.000 -0.198 3.098) 3.104 4.159 ( 0.000 0.168 5.461) 5.463 4.163 ( 0.000 -0.017 5.601) 5.601 4.412 ( 0.000 0.813 -0.633) 1.031 4.484 ( 0.000 -2.348 -3.488) 4.205 4.567 ( 0.000 4.433 -1.038) 4.553 4.648 ( 0.000 -0.648 1.937) 2.042 4.682 ( 0.000 -2.788 3.008) 4.101 4.726 ( 0.000 -1.828 -5.023) 5.345 4.821 ( 0.000 0.809 -0.894) 1.206 4.895 ( 0.000 -1.947 -2.033) 2.815 4.919 ( 0.000 2.195 2.616) 3.415 4.956 ( 0.000 0.719 1.822) 1.959 5.054 ( 0.000 7.816 -0.903) 7.868 5.218 ( 0.000 -2.473 4.949) 5.532 5.321 ( 0.000 1.060 4.078) 4.214 5.397 ( 0.000 -1.173 -0.078) 1.175 5.409 ( 0.000 3.680 1.269) 3.892 5.538 ( 0.000 -1.676 -0.886) 1.896 5.726 ( 0.000 -3.396 3.914) 5.182 5.734 ( 0.000 -4.218 2.992) 5.171 6.179 ( 0.000 3.916 -3.453) 5.221 6.323 ( 0.000 -2.479 -2.488) 3.512 6.414 ( 0.000 2.017 -2.491) 3.206 6.470 ( 0.000 -0.630 -3.841) 3.893 6.537 ( 0.000 2.990 0.680) 3.067 6.689 ( 0.000 -2.183 -0.876) 2.352 6.814 ( 0.000 -0.569 -1.760) 1.849 6.885 ( 0.000 2.424 -2.225) 3.291 6.946 ( 0.000 -12.860 6.924) 14.605 7.006 ( 0.000 3.183 3.173) 4.494 7.035 ( 0.000 -3.804 -1.010) 3.936 7.146 ( 0.000 -3.072 3.211) 4.444 7.564 ( 0.000 1.992 1.260) 2.357 7.632 ( 0.000 4.306 -3.919) 5.823 7.654 ( 0.000 -1.656 2.326) 2.856 7.749 ( 0.000 -1.457 -5.472) 5.663 7.841 ( 0.000 6.273 -5.949) 8.646 7.921 ( 0.000 -0.284 -1.927) 1.948 ======================= Grid point 55 (22/60) ======================= q-point: ( 0.12 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( 9.438 8.312 11.318) 16.919 0.680 ( 13.389 8.167 9.649) 18.414 1.076 ( 4.919 -7.709 7.302) 11.702 1.185 ( 8.379 -1.924 8.240) 11.908 1.205 ( 10.511 2.975 12.769) 16.804 1.611 ( -2.053 5.455 3.322) 6.709 1.679 ( -1.115 3.830 1.939) 4.435 1.731 ( -1.910 -1.016 -2.622) 3.399 1.836 ( -5.388 -1.402 2.409) 6.066 1.844 ( -1.561 2.344 -0.691) 2.900 1.919 ( 2.446 -11.341 5.648) 12.904 1.940 ( 1.421 -0.282 -4.129) 4.375 2.050 ( -1.126 4.838 1.704) 5.252 2.054 ( 2.934 2.725 -2.262) 4.599 2.179 ( 1.097 -0.731 5.189) 5.354 2.309 ( 2.098 -3.859 -2.347) 4.980 2.347 ( -1.017 -3.999 -3.916) 5.688 2.412 ( 4.986 -2.245 3.360) 6.417 2.437 ( 0.468 -0.376 1.897) 1.990 2.505 ( 0.109 -7.394 -1.092) 7.475 2.808 ( -8.375 6.017 -5.695) 11.780 2.930 ( -3.600 2.731 -2.041) 4.958 2.969 ( -2.756 3.179 -5.441) 6.878 2.981 ( 1.819 5.180 1.871) 5.800 3.107 ( 1.169 5.821 -3.257) 6.772 3.125 ( -1.518 -1.609 -3.427) 4.079 3.213 ( -0.750 1.060 0.146) 1.307 3.216 ( -3.536 -2.536 -2.803) 5.176 3.284 ( 0.038 0.573 2.733) 2.792 3.370 ( 0.781 -2.407 -3.444) 4.273 3.394 ( 2.680 -0.562 -0.660) 2.816 3.436 ( -0.402 -2.455 2.271) 3.368 4.192 ( 11.467 0.247 4.127) 12.190 4.196 ( 14.520 0.136 3.507) 14.938 4.256 ( 10.079 -0.146 3.678) 10.730 4.273 ( 10.598 -0.248 2.916) 10.995 4.433 ( 2.194 1.001 -0.229) 2.422 4.502 ( 2.376 -1.561 -2.010) 3.482 4.594 ( 2.269 3.238 0.252) 3.962 4.657 ( 1.074 -1.248 2.030) 2.613 4.693 ( 1.061 -2.964 1.395) 3.444 4.742 ( 2.114 -2.243 -3.830) 4.916 4.864 ( 2.128 1.414 -0.026) 2.555 4.905 ( -0.095 0.503 -2.480) 2.532 4.992 ( 4.564 4.534 1.334) 6.570 5.004 ( 6.089 2.167 -0.504) 6.482 5.111 ( 6.012 0.238 2.506) 6.517 5.212 ( -0.505 -2.588 5.027) 5.676 5.318 ( 0.030 0.746 4.642) 4.702 5.384 ( -1.206 -0.929 0.227) 1.539 5.439 ( 3.373 2.852 -2.328) 4.994 5.533 ( -0.488 -1.236 -0.560) 1.442 5.713 ( -0.955 -3.303 2.623) 4.325 5.736 ( 0.090 -4.508 2.059) 4.957 6.117 ( -5.492 4.846 -2.399) 7.708 6.311 ( -1.044 -3.173 -4.180) 5.351 6.421 ( 1.007 1.926 -2.916) 3.637 6.488 ( 1.716 -0.817 -3.769) 4.221 6.550 ( 0.841 0.937 0.034) 1.259 6.655 ( -3.423 -2.041 -0.829) 4.070 6.791 ( -2.507 -0.297 -1.181) 2.787 6.851 ( -2.863 -0.584 0.565) 2.976 6.927 ( -2.030 -2.499 3.435) 4.708 7.016 ( 0.628 -1.404 2.877) 3.262 7.048 ( 1.047 -3.828 -1.445) 4.224 7.144 ( -0.178 -3.052 2.726) 4.096 7.500 ( -6.317 2.543 0.552) 6.832 7.563 ( -5.647 2.170 -1.307) 6.189 7.637 ( -2.759 0.758 0.097) 2.863 7.723 ( -5.506 3.075 -3.650) 7.287 7.730 ( -5.608 3.946 -2.996) 7.483 7.873 ( -4.542 -0.901 -1.751) 4.950 ======================= Grid point 56 (23/60) ======================= q-point: ( 0.25 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 12.221 5.846 7.895) 15.680 0.947 ( 13.676 7.046 7.681) 17.195 1.191 ( 7.065 -6.980 2.832) 10.328 1.340 ( 8.610 -10.859 -1.062) 13.899 1.518 ( 15.171 8.216 11.559) 20.767 1.576 ( 0.486 2.805 2.728) 3.942 1.634 ( -4.277 1.214 2.530) 5.115 1.649 ( -3.560 0.421 1.946) 4.079 1.716 ( -5.441 -3.517 1.505) 6.651 1.843 ( -0.795 4.350 -3.673) 5.749 1.909 ( -3.685 3.129 -3.164) 5.778 1.996 ( 4.085 5.912 -1.971) 7.451 2.065 ( 3.406 -7.923 4.636) 9.792 2.118 ( -4.874 -2.390 0.842) 5.494 2.162 ( 6.234 -1.026 -2.851) 6.932 2.308 ( -2.717 -1.381 -2.259) 3.794 2.357 ( -4.993 -6.185 -2.458) 8.320 2.414 ( 4.622 -4.405 -0.597) 6.413 2.491 ( 2.697 4.571 3.989) 6.639 2.584 ( 6.417 -0.934 0.862) 6.541 2.651 ( -6.635 2.738 -3.927) 8.181 2.800 ( -8.833 -2.183 -2.414) 9.413 2.874 ( -6.039 7.802 -3.140) 10.353 3.034 ( 1.495 1.795 -2.021) 3.089 3.062 ( -3.072 1.552 -2.127) 4.046 3.127 ( -3.540 -4.411 -2.944) 6.376 3.193 ( 2.352 1.465 1.788) 3.298 3.224 ( 3.424 1.371 1.144) 3.861 3.302 ( 1.398 1.351 4.516) 4.917 3.358 ( -0.517 -1.736 -1.626) 2.434 3.419 ( -0.991 -0.778 4.009) 4.202 3.464 ( 2.562 -1.703 0.960) 3.222 4.368 ( 7.895 0.575 5.474) 9.625 4.387 ( 6.875 0.266 3.071) 7.534 4.470 ( 4.684 0.738 -0.810) 4.810 4.476 ( 4.664 0.945 -1.642) 5.034 4.641 ( 7.272 -0.359 2.645) 7.747 4.645 ( 5.257 1.795 0.438) 5.572 4.658 ( 16.201 -1.556 2.101) 16.411 4.700 ( 9.014 -0.340 1.918) 9.222 4.728 ( 4.137 -0.898 -0.690) 4.289 4.806 ( 4.259 -3.141 -2.011) 5.661 4.890 ( -0.745 1.355 -1.416) 2.097 4.916 ( 5.006 -0.161 1.304) 5.176 5.032 ( 4.348 5.224 1.490) 6.958 5.161 ( 3.107 -0.070 4.594) 5.547 5.203 ( 4.142 1.278 5.836) 7.269 5.225 ( 2.314 -0.878 2.239) 3.337 5.349 ( 1.212 -0.946 3.132) 3.489 5.363 ( 1.737 -1.347 4.548) 5.052 5.522 ( 3.380 2.316 -3.329) 5.279 5.542 ( 3.698 0.484 -2.005) 4.234 5.697 ( -0.592 -3.214 0.877) 3.384 5.747 ( 1.338 -4.707 -1.309) 5.065 6.006 ( -4.685 7.287 -1.563) 8.803 6.311 ( 1.838 -4.734 -7.822) 9.326 6.449 ( 1.598 1.844 -3.552) 4.309 6.531 ( 1.935 -2.083 -1.942) 3.443 6.554 ( -2.942 -1.820 -1.933) 3.963 6.554 ( -4.940 -1.405 -1.671) 5.401 6.705 ( -6.097 0.677 1.104) 6.233 6.787 ( -4.075 -0.159 0.039) 4.078 6.876 ( -2.727 0.130 2.814) 3.921 7.020 ( -0.278 -0.535 1.635) 1.742 7.059 ( -0.517 -4.977 -2.321) 5.516 7.147 ( 0.770 -3.209 1.775) 3.748 7.338 ( -9.984 3.065 0.469) 10.454 7.434 ( -7.347 0.546 0.128) 7.368 7.547 ( -5.899 5.853 -0.930) 8.362 7.573 ( -6.402 5.242 -0.507) 8.290 7.671 ( -3.178 -1.695 -4.164) 5.505 7.765 ( -6.057 -1.835 -1.809) 6.582 ======================= Grid point 57 (24/60) ======================= q-point: ( 0.38 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 10.795 4.274 5.666) 12.919 1.195 ( 11.139 5.192 6.352) 13.834 1.345 ( 8.094 -5.723 1.083) 9.972 1.436 ( -2.671 -0.425 3.591) 4.496 1.526 ( -0.674 -3.482 -0.402) 3.569 1.544 ( -1.081 0.334 1.109) 1.584 1.628 ( -3.547 -2.379 1.570) 4.550 1.648 ( 4.934 -3.953 -3.068) 7.028 1.772 ( -5.466 3.754 -2.086) 6.951 1.781 ( -0.284 2.361 -1.106) 2.623 1.939 ( 2.826 1.825 2.999) 4.507 1.968 ( 3.855 1.776 4.229) 5.992 2.069 ( -4.985 -0.039 -6.691) 8.344 2.151 ( 0.986 5.887 -7.085) 9.264 2.180 ( 3.564 -4.572 3.155) 6.600 2.296 ( 0.316 2.127 -2.081) 2.992 2.353 ( 7.106 -2.907 -3.476) 8.428 2.454 ( -1.757 -0.950 0.436) 2.045 2.530 ( -6.070 -2.734 0.504) 6.676 2.573 ( -1.444 0.112 -1.009) 1.765 2.621 ( 1.766 0.330 -2.196) 2.838 2.689 ( -1.227 -3.331 1.797) 3.979 2.759 ( -5.015 6.252 -0.282) 8.020 2.944 ( -8.113 -0.608 -4.994) 9.547 3.013 ( 0.168 3.863 -0.422) 3.890 3.160 ( -1.476 1.031 3.773) 4.181 3.193 ( 3.850 -3.612 3.222) 6.184 3.315 ( 1.003 -1.835 3.824) 4.358 3.332 ( 3.727 2.070 2.072) 4.740 3.360 ( 0.745 -0.059 1.065) 1.301 3.405 ( -0.101 0.184 4.623) 4.628 3.483 ( -0.566 -2.146 0.996) 2.433 4.493 ( 4.734 0.822 1.711) 5.101 4.506 ( 4.906 0.448 3.737) 6.184 4.530 ( 2.713 0.894 0.428) 2.889 4.544 ( 2.424 0.578 0.736) 2.598 4.690 ( 1.802 1.031 -0.401) 2.114 4.697 ( 1.449 -0.314 -2.209) 2.660 4.725 ( 0.829 1.061 1.147) 1.769 4.786 ( 0.666 0.158 -0.779) 1.037 4.835 ( -0.603 2.126 1.937) 2.939 4.900 ( 1.948 -2.667 1.347) 3.567 4.958 ( 0.489 -1.002 3.169) 3.359 4.992 ( 2.967 -1.717 2.380) 4.173 5.218 ( 3.469 0.209 9.450) 10.069 5.251 ( 0.992 0.231 3.360) 3.511 5.278 ( 5.559 -1.568 3.781) 6.904 5.335 ( -0.668 -1.289 5.107) 5.309 5.415 ( 22.304 2.579 0.844) 22.469 5.456 ( 14.881 0.093 0.802) 14.903 5.571 ( 1.971 2.800 -1.485) 3.733 5.642 ( 3.113 0.154 -3.406) 4.617 5.693 ( 0.035 -2.762 -0.372) 2.787 5.764 ( 0.080 -3.116 -1.504) 3.461 6.060 ( 12.652 8.180 -1.833) 15.177 6.316 ( -9.856 -1.868 -3.777) 10.718 6.346 ( -14.236 -0.284 -0.946) 14.270 6.456 ( -1.747 -2.866 -4.404) 5.538 6.480 ( 1.216 2.087 -3.940) 4.621 6.581 ( -0.557 -3.232 -2.417) 4.074 6.658 ( 2.946 -2.144 -0.395) 3.665 6.682 ( -4.735 2.423 -0.463) 5.339 6.822 ( -3.585 -5.117 2.157) 6.610 6.988 ( -6.179 -4.842 -2.059) 8.116 7.021 ( -0.690 0.887 0.028) 1.124 7.143 ( -8.610 4.685 1.290) 9.887 7.179 ( 2.337 -3.051 0.561) 3.884 7.306 ( -5.074 -1.086 0.740) 5.242 7.452 ( -3.515 7.749 -1.769) 8.690 7.467 ( -4.337 4.427 -1.096) 6.294 7.619 ( -1.869 -2.086 -3.515) 4.495 7.660 ( -4.303 -2.284 -2.442) 5.449 ======================= Grid point 58 (25/60) ======================= q-point: (-0.50 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( -6.609 2.475 4.686) 8.471 1.248 ( 6.609 2.475 4.686) 8.471 1.436 ( -3.867 -0.003 3.374) 5.132 1.436 ( 3.867 -0.003 3.374) 5.132 1.506 ( -0.928 -0.927 0.770) 1.521 1.506 ( 0.928 -0.927 0.770) 1.521 1.637 ( -5.529 -0.209 -0.439) 5.550 1.637 ( 5.529 -0.209 -0.439) 5.550 1.797 ( -5.783 -0.428 -0.130) 5.800 1.797 ( 5.783 -0.428 -0.130) 5.800 1.864 ( -10.739 -3.979 -6.064) 12.959 1.864 ( 10.739 -3.979 -6.064) 12.959 2.207 ( -3.342 5.821 -3.767) 7.697 2.207 ( 3.342 5.821 -3.767) 7.697 2.271 ( -12.968 3.800 -1.712) 13.621 2.271 ( 12.968 3.800 -1.712) 13.621 2.363 ( -5.240 -2.454 0.965) 5.866 2.363 ( 5.240 -2.454 0.965) 5.866 2.524 ( -5.689 -4.694 -0.999) 7.443 2.524 ( 5.689 -4.694 -0.999) 7.443 2.659 ( -4.287 2.950 2.266) 5.676 2.659 ( 4.287 2.950 2.266) 5.676 2.781 ( -8.358 -1.781 -3.585) 9.267 2.781 ( 8.358 -1.781 -3.585) 9.267 3.077 ( -5.073 4.409 2.931) 7.332 3.077 ( 5.073 4.409 2.931) 7.332 3.284 ( -3.614 -4.351 4.666) 7.332 3.284 ( 3.614 -4.351 4.666) 7.332 3.368 ( -0.554 1.541 2.594) 3.068 3.368 ( 0.554 1.541 2.594) 3.068 3.445 ( -3.110 -1.185 1.709) 3.742 3.445 ( 3.110 -1.185 1.709) 3.742 4.548 ( -0.991 0.673 0.865) 1.477 4.548 ( 0.991 0.673 0.865) 1.477 4.564 ( -1.019 0.463 2.053) 2.338 4.564 ( 1.019 0.463 2.053) 2.338 4.716 ( -1.304 1.736 -0.644) 2.265 4.716 ( 1.304 1.736 -0.644) 2.265 4.747 ( -3.334 0.687 -1.701) 3.805 4.747 ( 3.334 0.687 -1.701) 3.805 4.876 ( -3.445 0.594 4.303) 5.544 4.876 ( 3.445 0.594 4.303) 5.544 4.982 ( -2.130 -3.297 2.966) 4.920 4.982 ( 2.130 -3.297 2.966) 4.920 5.266 ( -0.444 -0.918 5.359) 5.455 5.266 ( 0.444 -0.918 5.359) 5.455 5.297 ( -1.315 -1.250 5.343) 5.643 5.297 ( 1.315 -1.250 5.343) 5.643 5.603 ( -1.081 2.167 -1.561) 2.881 5.603 ( 1.081 2.167 -1.561) 2.881 5.670 ( -0.803 1.444 -3.027) 3.449 5.670 ( 0.803 1.444 -3.027) 3.449 5.947 ( -24.494 -0.722 -0.300) 24.507 5.947 ( 24.494 -0.722 -0.300) 24.507 5.976 ( -20.362 -1.805 1.294) 20.483 5.976 ( 20.362 -1.805 1.294) 20.483 6.373 ( -14.777 4.219 -1.470) 15.437 6.373 ( 14.777 4.219 -1.470) 15.437 6.494 ( -0.319 1.962 -5.021) 5.400 6.494 ( 0.319 1.962 -5.021) 5.400 6.723 ( -4.444 -5.227 -0.274) 6.866 6.723 ( 4.444 -5.227 -0.274) 6.866 6.805 ( -9.773 -6.809 -2.557) 12.182 6.805 ( 9.773 -6.809 -2.557) 12.182 7.040 ( -2.579 5.350 1.404) 6.103 7.040 ( 2.579 5.350 1.404) 6.103 7.233 ( -3.096 -3.351 0.265) 4.570 7.233 ( 3.096 -3.351 0.265) 4.570 7.420 ( -0.391 6.651 -1.579) 6.847 7.420 ( 0.391 6.651 -1.579) 6.847 7.609 ( -1.000 -2.332 -3.048) 3.966 7.609 ( 1.000 -2.332 -3.048) 3.966 ======================= Grid point 63 (26/60) ======================= q-point: ( 0.00 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( 0.000 -2.675 6.211) 6.762 0.719 ( 0.000 2.675 6.211) 6.762 0.869 ( 0.000 -5.283 6.682) 8.518 0.869 ( 0.000 5.283 6.682) 8.518 1.460 ( 0.000 -20.431 17.201) 26.708 1.460 ( 0.000 20.431 17.201) 26.708 1.759 ( 0.000 -4.186 0.556) 4.222 1.759 ( 0.000 4.186 0.556) 4.222 1.818 ( 0.000 -6.358 2.909) 6.992 1.818 ( 0.000 6.358 2.909) 6.992 1.882 ( 0.000 -0.270 -0.253) 0.370 1.882 ( 0.000 0.270 -0.253) 0.370 2.160 ( 0.000 -6.218 -4.249) 7.531 2.160 ( 0.000 6.218 -4.249) 7.531 2.226 ( 0.000 -3.925 0.841) 4.014 2.226 ( 0.000 3.925 0.841) 4.014 2.247 ( 0.000 -3.722 0.874) 3.823 2.247 ( 0.000 3.722 0.874) 3.823 2.413 ( 0.000 -0.226 0.449) 0.502 2.413 ( 0.000 0.226 0.449) 0.502 2.980 ( 0.000 -0.813 -0.209) 0.840 2.980 ( 0.000 0.813 -0.209) 0.840 3.056 ( 0.000 -3.087 -6.441) 7.143 3.056 ( 0.000 3.087 -6.441) 7.143 3.146 ( 0.000 -7.247 -2.862) 7.791 3.146 ( 0.000 7.247 -2.862) 7.791 3.226 ( 0.000 -2.922 -5.539) 6.263 3.226 ( 0.000 2.922 -5.539) 6.263 3.310 ( 0.000 -2.422 2.434) 3.434 3.310 ( 0.000 2.422 2.434) 3.434 3.371 ( 0.000 -0.165 -1.237) 1.248 3.371 ( 0.000 0.165 -1.237) 1.248 4.040 ( 0.000 -0.294 3.433) 3.446 4.040 ( 0.000 0.294 3.433) 3.446 4.162 ( 0.000 -0.135 5.629) 5.630 4.162 ( 0.000 0.135 5.629) 5.630 4.443 ( 0.000 -2.059 -2.087) 2.932 4.443 ( 0.000 2.059 -2.087) 2.932 4.644 ( 0.000 -0.701 1.768) 1.902 4.644 ( 0.000 0.701 1.768) 1.902 4.662 ( 0.000 -4.530 -2.579) 5.213 4.662 ( 0.000 4.530 -2.579) 5.213 4.853 ( 0.000 -2.170 -2.265) 3.137 4.853 ( 0.000 2.170 -2.265) 3.137 4.954 ( 0.000 -1.047 2.544) 2.751 4.954 ( 0.000 1.047 2.544) 2.751 5.157 ( 0.000 -3.635 3.596) 5.113 5.157 ( 0.000 3.635 3.596) 5.113 5.359 ( 0.000 -2.407 2.141) 3.221 5.359 ( 0.000 2.407 2.141) 3.221 5.487 ( 0.000 -3.556 -0.912) 3.671 5.487 ( 0.000 3.556 -0.912) 3.671 5.686 ( 0.000 -0.146 4.270) 4.272 5.686 ( 0.000 0.146 4.270) 4.272 6.259 ( 0.000 -3.800 -2.715) 4.670 6.259 ( 0.000 3.800 -2.715) 4.670 6.450 ( 0.000 -1.460 -3.590) 3.876 6.450 ( 0.000 1.460 -3.590) 3.876 6.615 ( 0.000 -4.593 0.902) 4.681 6.615 ( 0.000 4.593 0.902) 4.681 6.820 ( 0.000 -1.839 0.794) 2.003 6.820 ( 0.000 1.839 0.794) 2.003 6.952 ( 0.000 -4.152 -2.284) 4.739 6.952 ( 0.000 4.152 -2.284) 4.739 7.079 ( 0.000 -3.808 3.069) 4.890 7.079 ( 0.000 3.808 3.069) 4.890 7.611 ( 0.000 -2.537 2.330) 3.445 7.611 ( 0.000 2.537 2.330) 3.445 7.704 ( 0.000 -3.022 -4.693) 5.582 7.704 ( 0.000 3.022 -4.693) 5.582 7.907 ( 0.000 -1.406 -3.407) 3.686 7.907 ( 0.000 1.406 -3.407) 3.686 ======================= Grid point 65 (27/60) ======================= q-point: ( 0.12 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( 8.691 -4.757 4.733) 10.981 0.818 ( 8.691 4.757 4.733) 10.981 0.943 ( 7.325 -6.428 5.724) 11.302 0.943 ( 7.325 6.428 5.724) 11.302 1.551 ( 8.889 -18.453 15.193) 25.502 1.551 ( 8.889 18.453 15.193) 25.502 1.707 ( -4.085 -3.934 1.210) 5.799 1.707 ( -4.085 3.934 1.210) 5.799 1.769 ( -4.809 -3.805 3.708) 7.166 1.769 ( -4.809 3.805 3.708) 7.166 1.909 ( 2.218 -2.759 -3.017) 4.651 1.909 ( 2.218 2.759 -3.017) 4.651 2.145 ( -1.355 -2.851 -4.064) 5.146 2.145 ( -1.355 2.851 -4.064) 5.146 2.236 ( -0.737 -7.788 1.255) 7.923 2.236 ( -0.737 7.788 1.255) 7.923 2.265 ( 2.281 -2.999 -0.152) 3.771 2.265 ( 2.281 2.999 -0.152) 3.771 2.457 ( 4.562 -0.414 1.702) 4.887 2.457 ( 4.562 0.414 1.702) 4.887 2.902 ( -7.390 -3.173 -3.393) 8.729 2.902 ( -7.390 3.173 -3.393) 8.729 3.053 ( -0.516 -3.957 -4.320) 5.882 3.053 ( -0.516 3.957 -4.320) 5.882 3.120 ( -2.237 -6.039 -3.030) 7.117 3.120 ( -2.237 6.039 -3.030) 7.117 3.221 ( -0.335 -3.041 -2.895) 4.212 3.221 ( -0.335 3.041 -2.895) 4.212 3.304 ( 0.021 -3.062 1.236) 3.302 3.304 ( 0.021 3.062 1.236) 3.302 3.396 ( 1.961 -1.066 1.343) 2.605 3.396 ( 1.961 1.066 1.343) 2.605 4.196 ( 13.182 -0.127 3.831) 13.728 4.196 ( 13.182 0.127 3.831) 13.728 4.262 ( 10.427 -0.628 3.930) 11.161 4.262 ( 10.427 0.628 3.930) 11.161 4.466 ( 2.491 -2.027 -1.245) 3.445 4.466 ( 2.491 2.027 -1.245) 3.445 4.650 ( 0.904 -1.001 1.636) 2.120 4.650 ( 0.904 1.001 1.636) 2.120 4.677 ( 1.668 -4.225 -2.079) 4.996 4.677 ( 1.668 4.225 -2.079) 4.996 4.895 ( 1.410 -1.459 -1.870) 2.759 4.895 ( 1.410 1.459 -1.870) 2.759 5.029 ( 8.552 -0.975 0.669) 8.633 5.029 ( 8.552 0.975 0.669) 8.633 5.150 ( -0.349 -3.247 4.376) 5.460 5.150 ( -0.349 3.247 4.376) 5.460 5.351 ( -0.726 -2.161 2.590) 3.451 5.351 ( -0.726 2.161 2.590) 3.451 5.498 ( 1.324 -2.532 -1.579) 3.265 5.498 ( 1.324 2.532 -1.579) 3.265 5.678 ( -0.732 -0.541 3.427) 3.546 5.678 ( -0.732 0.541 3.427) 3.546 6.221 ( -3.401 -5.292 -2.452) 6.752 6.221 ( -3.401 5.292 -2.452) 6.752 6.462 ( 1.212 -1.836 -3.803) 4.393 6.462 ( 1.212 1.836 -3.803) 4.393 6.596 ( -1.941 -3.337 0.348) 3.877 6.596 ( -1.941 3.337 0.348) 3.877 6.800 ( -2.062 -1.690 1.144) 2.901 6.800 ( -2.062 1.690 1.144) 2.901 6.961 ( 0.497 -4.173 -2.416) 4.847 6.961 ( 0.497 4.173 -2.416) 4.847 7.072 ( -0.517 -3.947 2.787) 4.860 7.072 ( -0.517 3.947 2.787) 4.860 7.550 ( -5.848 -2.337 1.485) 6.470 7.550 ( -5.848 2.337 1.485) 6.470 7.682 ( -2.373 -2.808 -3.860) 5.331 7.682 ( -2.373 2.808 -3.860) 5.331 7.838 ( -6.274 -3.106 -2.393) 7.398 7.838 ( -6.274 3.106 -2.393) 7.398 ======================= Grid point 67 (28/60) ======================= q-point: ( 0.25 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( 10.110 -8.443 3.215) 13.558 1.005 ( 10.110 8.443 3.215) 13.558 1.130 ( 11.124 -8.793 3.858) 14.695 1.130 ( 11.124 8.793 3.858) 14.695 1.616 ( -4.055 -1.903 -0.071) 4.480 1.616 ( -4.055 1.903 -0.071) 4.480 1.656 ( -5.372 -2.267 2.618) 6.392 1.656 ( -5.372 2.267 2.618) 6.392 1.787 ( 12.312 -12.841 11.659) 21.270 1.787 ( 12.312 12.841 11.659) 21.270 1.926 ( -1.183 -3.248 -3.462) 4.892 1.926 ( -1.183 3.248 -3.462) 4.892 2.124 ( -2.185 -1.702 -3.092) 4.151 2.124 ( -2.185 1.702 -3.092) 4.151 2.186 ( -1.462 -7.908 -0.608) 8.065 2.186 ( -1.462 7.908 -0.608) 8.065 2.335 ( 4.401 -3.548 -0.943) 5.732 2.335 ( 4.401 3.548 -0.943) 5.732 2.557 ( 4.266 -2.159 2.976) 5.632 2.557 ( 4.266 2.159 2.976) 5.632 2.733 ( -9.125 -4.400 -4.662) 11.152 2.733 ( -9.125 4.400 -4.662) 11.152 3.016 ( -4.144 -6.154 -3.892) 8.379 3.016 ( -4.144 6.154 -3.892) 8.379 3.067 ( -1.986 -1.079 -2.910) 3.685 3.067 ( -1.986 1.079 -2.910) 3.685 3.237 ( 1.560 -1.230 0.788) 2.137 3.237 ( 1.560 1.230 0.788) 2.137 3.316 ( 1.444 -1.507 3.223) 3.840 3.316 ( 1.444 1.507 3.223) 3.840 3.427 ( 0.988 -1.540 2.292) 2.932 3.427 ( 0.988 1.540 2.292) 2.932 4.382 ( 7.689 -0.670 4.888) 9.135 4.382 ( 7.689 0.670 4.888) 9.135 4.485 ( 4.473 -0.349 -1.842) 4.850 4.485 ( 4.473 0.349 -1.842) 4.850 4.630 ( 10.823 -0.294 1.861) 10.985 4.630 ( 10.823 0.294 1.861) 10.985 4.697 ( 7.301 -1.054 -0.413) 7.388 4.697 ( 7.301 1.054 -0.413) 7.388 4.734 ( 5.957 -3.170 0.722) 6.787 4.734 ( 5.957 3.170 0.722) 6.787 4.911 ( 1.404 -0.660 0.070) 1.553 4.911 ( 1.404 0.660 0.070) 1.553 5.124 ( 1.852 -3.740 3.197) 5.257 5.124 ( 1.852 3.740 3.197) 5.257 5.219 ( 5.365 -0.668 2.593) 5.996 5.219 ( 5.365 0.668 2.593) 5.996 5.341 ( 0.038 -0.533 5.038) 5.066 5.341 ( 0.038 0.533 5.038) 5.066 5.557 ( 4.976 -0.385 -4.043) 6.423 5.557 ( 4.976 0.385 -4.043) 6.423 5.667 ( 0.037 -1.516 1.152) 1.904 5.667 ( 0.037 1.516 1.152) 1.904 6.167 ( -0.656 -8.600 -3.195) 9.198 6.167 ( -0.656 8.600 -3.195) 9.198 6.494 ( 1.951 -2.354 -3.899) 4.955 6.494 ( 1.951 2.354 -3.899) 4.955 6.532 ( -5.268 -0.698 -0.730) 5.364 6.532 ( -5.268 0.698 -0.730) 5.364 6.738 ( -4.187 -2.729 2.060) 5.406 6.738 ( -4.187 2.729 2.060) 5.406 6.947 ( -2.570 -5.630 -2.015) 6.508 6.947 ( -2.570 5.630 -2.015) 6.508 7.071 ( 0.669 -3.965 1.583) 4.321 7.071 ( 0.669 3.965 1.583) 4.321 7.404 ( -8.617 -3.025 1.062) 9.194 7.404 ( -8.617 3.025 1.062) 9.194 7.619 ( -3.769 -3.188 -3.228) 5.898 7.619 ( -3.769 3.188 -3.228) 5.898 7.702 ( -6.956 -4.784 -1.686) 8.608 7.702 ( -6.956 4.784 -1.686) 8.608 ======================= Grid point 69 (29/60) ======================= q-point: ( 0.38 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( 9.074 -7.497 2.123) 11.960 1.196 ( 9.074 7.497 2.123) 11.960 1.328 ( 7.051 -7.078 3.384) 10.549 1.328 ( 7.051 7.078 3.384) 10.549 1.556 ( -0.662 -2.183 -0.021) 2.281 1.556 ( -0.662 2.183 -0.021) 2.281 1.583 ( -1.264 -0.858 1.217) 1.953 1.583 ( -1.264 0.858 1.217) 1.953 1.822 ( -5.208 -1.008 -2.937) 6.063 1.822 ( -5.208 1.008 -2.937) 6.063 1.984 ( -9.314 -5.722 0.035) 10.931 1.984 ( -9.314 5.722 0.035) 10.931 2.071 ( 12.342 -5.793 6.425) 15.072 2.071 ( 12.342 5.793 6.425) 15.072 2.262 ( 6.556 -4.871 -5.129) 9.645 2.262 ( 6.556 4.871 -5.129) 9.645 2.405 ( 1.122 -6.038 -2.694) 6.707 2.405 ( 1.122 6.038 -2.694) 6.707 2.525 ( -7.463 -2.781 -1.967) 8.203 2.525 ( -7.463 2.781 -1.967) 8.203 2.643 ( 1.156 -1.274 1.079) 2.030 2.643 ( 1.156 1.274 1.079) 2.030 2.886 ( -8.290 -5.362 -4.042) 10.668 2.886 ( -8.290 5.362 -4.042) 10.668 3.090 ( 3.828 -4.061 1.282) 5.726 3.090 ( 3.828 4.061 1.282) 5.726 3.244 ( -1.518 -4.345 3.669) 5.886 3.244 ( -1.518 4.345 3.669) 5.886 3.361 ( 2.823 -0.519 2.993) 4.146 3.361 ( 2.823 0.519 2.993) 4.146 3.432 ( -0.475 -2.570 2.356) 3.519 3.432 ( -0.475 2.570 2.356) 3.519 4.507 ( 4.817 -0.439 3.008) 5.696 4.507 ( 4.817 0.439 3.008) 5.696 4.548 ( 2.417 -0.480 0.324) 2.485 4.548 ( 2.417 0.480 0.324) 2.485 4.694 ( 2.192 -0.246 -1.931) 2.931 4.694 ( 2.192 0.246 -1.931) 2.931 4.770 ( 1.219 -2.808 -0.816) 3.168 4.770 ( 1.219 2.808 -0.816) 3.168 4.862 ( 2.047 -1.195 2.631) 3.542 4.862 ( 2.047 1.195 2.631) 3.542 4.956 ( -0.521 -1.417 3.435) 3.752 4.956 ( -0.521 1.417 3.435) 3.752 5.240 ( 2.928 -1.671 6.224) 7.079 5.240 ( 2.928 1.671 6.224) 7.079 5.282 ( 1.020 -2.672 4.596) 5.413 5.282 ( 1.020 2.672 4.596) 5.413 5.456 ( 19.916 -0.671 1.340) 19.973 5.456 ( 19.916 0.671 1.340) 19.973 5.632 ( 2.257 -2.338 -2.846) 4.320 5.632 ( 2.257 2.338 -2.846) 4.320 5.685 ( 0.939 -3.256 -1.300) 3.630 5.685 ( 0.939 3.256 -1.300) 3.630 6.239 ( 5.074 -7.911 -4.822) 10.563 6.239 ( 5.074 7.911 -4.822) 10.563 6.358 ( -10.295 -2.896 0.041) 10.695 6.358 ( -10.295 2.896 0.041) 10.695 6.530 ( 1.058 -2.557 -4.025) 4.884 6.530 ( 1.058 2.557 -4.025) 4.884 6.666 ( -2.389 -2.845 1.831) 4.142 6.666 ( -2.389 2.845 1.831) 4.142 6.847 ( -7.901 -6.548 -1.461) 10.365 6.847 ( -7.901 6.548 -1.461) 10.365 7.098 ( 1.995 -4.406 0.589) 4.872 7.098 ( 1.995 4.406 0.589) 4.872 7.247 ( -6.844 -4.438 0.957) 8.214 7.247 ( -6.844 4.438 0.957) 8.214 7.555 ( -2.421 -3.760 -2.893) 5.326 7.555 ( -2.421 3.760 -2.893) 5.326 7.589 ( -4.437 -4.834 -2.151) 6.905 7.589 ( -4.437 4.834 -2.151) 6.905 ======================= Grid point 71 (30/60) ======================= q-point: (-0.50 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( -4.431 -5.829 1.981) 7.585 1.333 ( 3.691 -5.699 1.981) 7.073 1.333 ( -3.691 5.699 1.981) 7.073 1.333 ( 4.431 5.829 1.981) 7.585 1.592 ( -0.787 -4.487 1.783) 4.892 1.592 ( 0.739 -4.485 1.783) 4.883 1.592 ( -0.739 4.485 1.783) 4.883 1.592 ( 0.787 4.487 1.783) 4.892 1.802 ( -6.404 -1.735 -2.907) 7.243 1.802 ( -6.182 1.521 -2.907) 6.998 1.802 ( 6.182 -1.521 -2.907) 6.998 1.802 ( 6.404 1.735 -2.907) 7.243 2.293 ( -8.957 -2.907 2.339) 9.704 2.293 ( -6.826 0.196 2.339) 7.218 2.293 ( 6.826 -0.196 2.339) 7.218 2.293 ( 8.957 2.907 2.339) 9.704 2.403 ( -5.674 -6.781 -4.947) 10.132 2.403 ( 5.662 -6.778 -4.947) 10.123 2.403 ( -5.662 6.778 -4.947) 10.123 2.403 ( 5.674 6.781 -4.947) 10.132 2.728 ( -7.174 -3.432 -1.166) 8.037 2.728 ( -2.305 0.488 -1.166) 2.629 2.728 ( 2.305 -0.488 -1.166) 2.629 2.728 ( 7.174 3.432 -1.166) 8.037 3.180 ( -4.593 -5.619 3.664) 8.130 3.180 ( 4.440 -5.588 3.664) 8.023 3.180 ( -4.440 5.588 3.664) 8.023 3.180 ( 4.593 5.619 3.664) 8.130 3.409 ( -1.676 -2.220 2.577) 3.792 3.409 ( 0.871 -2.101 2.577) 3.437 3.409 ( -0.871 2.101 2.577) 3.437 3.409 ( 1.676 2.220 2.577) 3.792 4.563 ( -1.056 -0.595 1.265) 1.752 4.563 ( 0.062 -0.275 1.265) 1.296 4.563 ( -0.062 0.275 1.265) 1.296 4.563 ( 1.056 0.595 1.265) 1.752 4.748 ( -2.866 -0.941 -1.596) 3.413 4.748 ( -2.561 0.687 -1.596) 3.095 4.748 ( 2.561 -0.687 -1.596) 3.095 4.748 ( 2.866 0.941 -1.596) 3.413 4.911 ( -2.488 -3.038 3.980) 5.591 4.911 ( 0.632 -2.790 3.980) 4.901 4.911 ( -0.632 2.790 3.980) 4.901 4.911 ( 2.488 3.038 3.980) 5.591 5.267 ( -1.109 -1.047 5.893) 6.087 5.267 ( 0.400 -0.910 5.893) 5.976 5.267 ( -0.400 0.910 5.893) 5.976 5.267 ( 1.109 1.047 5.893) 6.087 5.660 ( -1.512 -2.444 -2.904) 4.086 5.660 ( 1.321 -2.416 -2.904) 4.002 5.660 ( -1.321 2.416 -2.904) 4.002 5.660 ( 1.512 2.444 -2.904) 4.086 5.946 ( -23.469 -0.864 0.674) 23.494 5.946 ( -23.467 0.857 0.674) 23.493 5.946 ( 23.467 -0.857 0.674) 23.493 5.946 ( 23.469 0.864 0.674) 23.494 6.477 ( -7.881 -4.660 -3.700) 9.875 6.477 ( 0.508 -2.500 -3.700) 4.495 6.477 ( -0.508 2.500 -3.700) 4.495 6.477 ( 7.881 4.660 -3.700) 9.875 6.688 ( -5.680 -3.130 -0.269) 6.491 6.688 ( 0.765 -1.371 -0.269) 1.592 6.688 ( -0.765 1.371 -0.269) 1.592 6.688 ( 5.680 3.130 -0.269) 6.491 7.149 ( -3.448 -5.113 0.608) 6.197 7.149 ( 3.238 -5.079 0.608) 6.054 7.149 ( -3.238 5.079 0.608) 6.054 7.149 ( 3.448 5.113 0.608) 6.197 7.537 ( -0.720 -4.882 -2.625) 5.590 7.537 ( 0.687 -4.881 -2.625) 5.584 7.537 ( -0.687 4.881 -2.625) 5.584 7.537 ( 0.720 4.882 -2.625) 5.590 ======================= Grid point 90 (31/60) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 0.000 0.000 17.711) 17.711 0.869 ( 0.000 0.000 19.115) 19.115 1.282 ( 0.000 0.000 0.546) 0.546 1.312 ( 0.000 0.000 7.667) 7.667 1.564 ( 0.000 0.000 30.827) 30.827 1.569 ( 0.000 0.000 -3.677) 3.677 1.660 ( 0.000 0.000 4.887) 4.887 1.721 ( 0.000 0.000 -7.954) 7.954 1.749 ( 0.000 0.000 1.295) 1.295 1.782 ( 0.000 0.000 -5.911) 5.911 1.820 ( 0.000 0.000 -5.400) 5.400 2.019 ( 0.000 0.000 0.800) 0.800 2.150 ( 0.000 0.000 3.757) 3.757 2.189 ( 0.000 0.000 10.455) 10.455 2.300 ( 0.000 0.000 4.232) 4.232 2.305 ( 0.000 0.000 -4.538) 4.538 2.350 ( 0.000 0.000 5.087) 5.087 2.506 ( 0.000 0.000 11.285) 11.285 2.531 ( 0.000 0.000 3.359) 3.359 2.628 ( 0.000 0.000 -9.289) 9.289 2.662 ( 0.000 0.000 -1.438) 1.438 2.719 ( 0.000 0.000 -3.443) 3.443 2.899 ( 0.000 0.000 -4.349) 4.349 2.909 ( 0.000 0.000 -5.795) 5.795 2.992 ( 0.000 0.000 0.863) 0.863 3.070 ( 0.000 0.000 -2.667) 2.667 3.163 ( 0.000 0.000 -9.913) 9.913 3.175 ( 0.000 0.000 -14.068) 14.068 3.266 ( 0.000 0.000 2.136) 2.136 3.293 ( 0.000 0.000 1.643) 1.643 3.338 ( 0.000 0.000 0.124) 0.124 3.482 ( 0.000 0.000 -1.432) 1.432 4.129 ( 0.000 0.000 4.340) 4.340 4.135 ( 0.000 0.000 5.285) 5.285 4.265 ( 0.000 0.000 2.802) 2.802 4.268 ( 0.000 0.000 3.732) 3.732 4.405 ( 0.000 0.000 0.177) 0.177 4.445 ( 0.000 0.000 -2.306) 2.306 4.501 ( 0.000 0.000 -1.045) 1.045 4.630 ( 0.000 0.000 -5.626) 5.626 4.735 ( 0.000 0.000 5.449) 5.449 4.780 ( 0.000 0.000 2.273) 2.273 4.854 ( 0.000 0.000 1.930) 1.930 4.898 ( 0.000 0.000 0.652) 0.652 4.923 ( 0.000 0.000 0.555) 0.555 4.925 ( 0.000 0.000 2.739) 2.739 5.015 ( 0.000 0.000 2.883) 2.883 5.246 ( 0.000 0.000 -4.904) 4.904 5.398 ( 0.000 0.000 2.037) 2.037 5.437 ( 0.000 0.000 2.703) 2.703 5.454 ( 0.000 0.000 6.509) 6.509 5.588 ( 0.000 0.000 3.350) 3.350 5.730 ( 0.000 0.000 -1.856) 1.856 5.896 ( 0.000 0.000 6.010) 6.010 6.046 ( 0.000 0.000 -3.286) 3.286 6.249 ( 0.000 0.000 -7.595) 7.595 6.367 ( 0.000 0.000 -5.505) 5.505 6.403 ( 0.000 0.000 2.521) 2.521 6.473 ( 0.000 0.000 -3.539) 3.539 6.666 ( 0.000 0.000 -2.858) 2.858 6.784 ( 0.000 0.000 -0.728) 0.728 6.828 ( 0.000 0.000 -1.611) 1.611 7.052 ( 0.000 0.000 4.734) 4.734 7.086 ( 0.000 0.000 0.887) 0.887 7.148 ( 0.000 0.000 0.192) 0.192 7.334 ( 0.000 0.000 -2.028) 2.028 7.375 ( 0.000 0.000 -1.590) 1.590 7.589 ( 0.000 0.000 -9.887) 9.887 7.604 ( 0.000 0.000 1.387) 1.387 7.682 ( 0.000 0.000 -1.344) 1.344 7.728 ( 0.000 0.000 2.872) 2.872 7.887 ( 0.000 0.000 -1.876) 1.876 ======================= Grid point 91 (32/60) ======================= q-point: ( 0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( 8.515 0.000 14.324) 16.664 0.929 ( 5.880 0.000 17.524) 18.485 1.274 ( 0.964 0.000 3.152) 3.296 1.380 ( 4.661 0.000 4.003) 6.144 1.576 ( 0.883 0.000 -1.794) 1.999 1.628 ( 5.353 0.000 21.173) 21.839 1.676 ( 2.228 0.000 7.883) 8.192 1.698 ( -2.790 0.000 0.437) 2.824 1.703 ( -1.704 0.000 -6.192) 6.422 1.803 ( -1.853 0.000 -5.391) 5.700 1.857 ( 5.216 0.000 -4.926) 7.174 1.987 ( -2.383 0.000 1.426) 2.777 1.997 ( -9.315 0.000 6.516) 11.368 2.273 ( -2.795 0.000 -5.523) 6.190 2.294 ( -4.954 0.000 3.189) 5.892 2.326 ( 7.715 0.000 6.254) 9.932 2.352 ( 2.703 0.000 3.343) 4.299 2.475 ( -6.198 0.000 1.039) 6.285 2.501 ( -0.402 0.000 0.773) 0.871 2.568 ( -3.039 0.000 0.751) 3.131 2.650 ( -1.378 0.000 -0.046) 1.379 2.754 ( 2.379 0.000 -2.628) 3.545 2.885 ( -0.798 0.000 -6.211) 6.262 2.895 ( -4.641 0.000 -7.523) 8.840 3.029 ( 6.224 0.000 3.906) 7.348 3.085 ( 1.695 0.000 -3.482) 3.873 3.143 ( -1.811 0.000 -6.172) 6.433 3.214 ( 3.279 0.000 -9.918) 10.446 3.273 ( 1.314 0.000 2.770) 3.066 3.299 ( 1.218 0.000 2.362) 2.658 3.400 ( 4.943 0.000 -0.330) 4.954 3.490 ( 0.646 0.000 -0.632) 0.904 4.275 ( 11.639 0.000 3.506) 12.156 4.277 ( 13.206 0.000 3.746) 13.727 4.321 ( 5.480 0.000 2.707) 6.112 4.361 ( 8.405 0.000 3.450) 9.086 4.434 ( 4.151 0.000 1.202) 4.322 4.482 ( 5.008 0.000 -0.405) 5.024 4.597 ( 8.062 0.000 -0.210) 8.065 4.653 ( 1.922 0.000 -4.121) 4.547 4.746 ( 0.635 0.000 4.560) 4.604 4.796 ( 1.706 0.000 2.394) 2.939 4.856 ( -0.645 0.000 1.439) 1.577 4.923 ( 0.656 0.000 3.108) 3.176 4.928 ( 3.006 0.000 0.561) 3.058 4.943 ( 3.581 0.000 -1.332) 3.820 5.103 ( 8.287 0.000 -2.257) 8.589 5.248 ( 0.320 0.000 -4.527) 4.538 5.404 ( 0.892 0.000 3.515) 3.626 5.436 ( 0.048 0.000 2.754) 2.755 5.463 ( 1.199 0.000 7.091) 7.191 5.589 ( 0.053 0.000 3.934) 3.934 5.719 ( -1.041 0.000 -2.392) 2.609 5.875 ( -2.057 0.000 5.600) 5.965 5.994 ( -5.048 0.000 -2.798) 5.772 6.242 ( -1.142 0.000 -6.370) 6.472 6.372 ( -1.960 0.000 0.826) 2.127 6.384 ( 1.843 0.000 -5.809) 6.094 6.492 ( 1.090 0.000 -4.048) 4.192 6.634 ( -3.379 0.000 -2.773) 4.371 6.769 ( -1.646 0.000 -0.449) 1.707 6.810 ( -1.953 0.000 -1.486) 2.454 7.025 ( -2.569 0.000 5.019) 5.638 7.091 ( 0.384 0.000 0.525) 0.651 7.147 ( -0.269 0.000 -0.089) 0.283 7.312 ( -5.455 0.000 0.425) 5.471 7.316 ( -1.879 0.000 -2.183) 2.880 7.520 ( -5.689 0.000 -3.650) 6.759 7.603 ( -1.190 0.000 -4.648) 4.798 7.611 ( -6.696 0.000 -0.383) 6.707 7.688 ( -4.203 0.000 2.569) 4.926 7.844 ( -4.265 0.000 -2.007) 4.714 ======================= Grid point 92 (33/60) ======================= q-point: ( 0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 11.206 0.000 9.169) 14.479 1.074 ( 8.372 0.000 13.823) 16.160 1.325 ( 4.247 0.000 3.088) 5.252 1.467 ( 4.152 0.000 1.318) 4.356 1.590 ( -0.144 0.000 1.825) 1.831 1.644 ( -1.919 0.000 -1.805) 2.635 1.671 ( -1.256 0.000 -1.155) 1.706 1.697 ( 3.049 0.000 -2.252) 3.790 1.749 ( -3.522 0.000 -5.515) 6.543 1.809 ( 8.854 0.000 14.280) 16.803 1.814 ( -8.949 0.000 5.006) 10.254 1.862 ( -5.018 0.000 1.122) 5.142 2.040 ( 7.306 0.000 -2.186) 7.626 2.170 ( -8.316 0.000 -1.470) 8.445 2.212 ( -2.400 0.000 -7.870) 8.228 2.265 ( -12.417 0.000 -1.601) 12.519 2.350 ( -0.973 0.000 3.548) 3.679 2.466 ( 6.330 0.000 2.592) 6.840 2.554 ( 2.494 0.000 -1.491) 2.906 2.565 ( 1.766 0.000 3.910) 4.291 2.599 ( -4.475 0.000 -1.622) 4.760 2.774 ( -0.541 0.000 0.155) 0.563 2.798 ( -2.462 0.000 -0.462) 2.505 2.861 ( -2.366 0.000 -8.024) 8.366 3.023 ( -5.044 0.000 -4.101) 6.500 3.175 ( 7.309 0.000 -0.194) 7.312 3.233 ( 8.701 0.000 5.269) 10.172 3.282 ( 3.727 0.000 -4.755) 6.042 3.297 ( 0.193 0.000 3.945) 3.950 3.335 ( 2.070 0.000 2.692) 3.396 3.489 ( 3.538 0.000 0.175) 3.542 3.506 ( 0.996 0.000 1.469) 1.775 4.392 ( 4.561 0.000 0.148) 4.563 4.459 ( 3.801 0.000 -0.147) 3.804 4.481 ( 5.930 0.000 1.586) 6.139 4.486 ( 7.559 0.000 3.537) 8.346 4.664 ( 6.962 0.000 2.318) 7.338 4.678 ( 0.329 0.000 -0.162) 0.366 4.719 ( 17.918 0.000 1.566) 17.986 4.744 ( -0.754 0.000 3.024) 3.116 4.788 ( 12.370 0.000 4.082) 13.026 4.845 ( 2.087 0.000 1.978) 2.875 4.847 ( 4.153 0.000 1.941) 4.584 4.964 ( 1.978 0.000 1.257) 2.344 5.002 ( 10.877 0.000 2.513) 11.164 5.110 ( 10.875 0.000 -3.334) 11.375 5.268 ( 2.366 0.000 -3.226) 4.001 5.272 ( 7.002 0.000 -4.374) 8.256 5.432 ( 0.899 0.000 6.448) 6.511 5.471 ( 5.276 0.000 2.843) 5.993 5.513 ( 3.834 0.000 5.179) 6.444 5.589 ( -0.316 0.000 8.108) 8.114 5.709 ( 1.581 0.000 -4.851) 5.102 5.829 ( -1.867 0.000 4.363) 4.746 5.868 ( -7.440 0.000 -1.962) 7.694 6.200 ( -2.357 0.000 -4.965) 5.496 6.356 ( 0.303 0.000 -3.104) 3.119 6.439 ( 3.784 0.000 -6.456) 7.483 6.498 ( -0.890 0.000 -5.267) 5.342 6.532 ( -7.285 0.000 -2.385) 7.665 6.711 ( -4.388 0.000 0.414) 4.408 6.744 ( -5.127 0.000 -1.136) 5.251 6.976 ( -1.690 0.000 5.069) 5.343 7.088 ( -1.197 0.000 -0.596) 1.337 7.120 ( -3.649 0.000 -1.083) 3.806 7.207 ( -4.897 0.000 2.101) 5.329 7.265 ( -2.975 0.000 -1.744) 3.449 7.393 ( -6.385 0.000 -2.561) 6.880 7.449 ( -9.237 0.000 0.761) 9.268 7.567 ( -2.157 0.000 -5.702) 6.096 7.575 ( -7.035 0.000 1.805) 7.262 7.735 ( -6.492 0.000 -2.572) 6.983 ======================= Grid point 93 (34/60) ======================= q-point: ( 0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 8.060 0.000 10.029) 12.867 1.292 ( 11.767 0.000 5.881) 13.155 1.430 ( 5.964 0.000 1.586) 6.172 1.527 ( -0.262 0.000 2.791) 2.803 1.571 ( -1.093 0.000 1.228) 1.644 1.604 ( -3.336 0.000 2.375) 4.095 1.614 ( -1.550 0.000 -0.996) 1.843 1.673 ( -4.476 0.000 -3.404) 5.624 1.716 ( -7.992 0.000 2.770) 8.459 1.757 ( 4.477 0.000 -0.453) 4.500 1.789 ( 5.305 0.000 -8.900) 10.361 1.950 ( -12.995 0.000 -6.643) 14.594 1.986 ( 6.720 0.000 -0.672) 6.753 2.058 ( -2.391 0.000 -4.732) 5.302 2.064 ( -8.998 0.000 3.554) 9.674 2.310 ( 10.506 0.000 -2.037) 10.702 2.335 ( -2.411 0.000 0.681) 2.506 2.474 ( -5.694 0.000 -1.322) 5.845 2.549 ( -1.620 0.000 1.350) 2.109 2.562 ( 4.062 0.000 -0.850) 4.150 2.633 ( 4.831 0.000 2.323) 5.361 2.731 ( -3.786 0.000 -0.426) 3.810 2.761 ( -6.045 0.000 -1.666) 6.271 2.803 ( -3.403 0.000 -5.502) 6.469 2.996 ( 4.771 0.000 3.947) 6.192 3.251 ( -4.494 0.000 5.406) 7.030 3.309 ( 4.826 0.000 -0.162) 4.828 3.359 ( 2.326 0.000 2.171) 3.182 3.377 ( 4.427 0.000 1.104) 4.563 3.391 ( 6.781 0.000 5.853) 8.958 3.520 ( -0.012 0.000 3.651) 3.652 3.522 ( -0.190 0.000 1.228) 1.243 4.485 ( 4.946 0.000 0.145) 4.948 4.532 ( 3.863 0.000 0.663) 3.919 4.574 ( 3.649 0.000 2.414) 4.375 4.611 ( 5.541 0.000 0.662) 5.580 4.659 ( -2.059 0.000 1.835) 2.758 4.683 ( -2.020 0.000 -0.407) 2.061 4.728 ( -1.381 0.000 1.737) 2.219 4.770 ( -2.608 0.000 -1.132) 2.843 4.904 ( 3.822 0.000 4.853) 6.178 4.947 ( 2.889 0.000 1.006) 3.059 5.009 ( 2.562 0.000 1.057) 2.771 5.045 ( 4.941 0.000 1.233) 5.093 5.326 ( 7.946 0.000 2.554) 8.347 5.365 ( 6.654 0.000 3.222) 7.393 5.388 ( 13.268 0.000 -0.429) 13.275 5.425 ( 20.095 0.000 2.144) 20.209 5.466 ( 6.533 0.000 7.559) 9.991 5.539 ( -3.314 0.000 8.134) 8.784 5.557 ( 2.024 0.000 3.495) 4.038 5.570 ( 0.067 0.000 -0.119) 0.136 5.722 ( -7.399 0.000 -0.880) 7.452 5.789 ( 4.848 0.000 -0.213) 4.853 5.938 ( 15.964 0.000 -0.698) 15.979 6.180 ( -1.708 0.000 -7.836) 8.020 6.341 ( -12.773 0.000 -0.844) 12.800 6.368 ( 0.559 0.000 -4.450) 4.485 6.417 ( -7.222 0.000 -2.425) 7.618 6.508 ( -0.582 0.000 -6.198) 6.225 6.624 ( -3.547 0.000 -1.331) 3.788 6.658 ( 1.565 0.000 -1.792) 2.380 6.963 ( -11.730 0.000 -2.252) 11.944 6.975 ( 0.910 0.000 4.152) 4.250 7.009 ( -7.643 0.000 -3.354) 8.346 7.112 ( -5.013 0.000 2.046) 5.415 7.234 ( 0.049 0.000 -1.444) 1.445 7.303 ( -3.168 0.000 -2.796) 4.226 7.318 ( -2.559 0.000 2.133) 3.331 7.437 ( -6.616 0.000 1.161) 6.717 7.535 ( -0.846 0.000 -5.454) 5.519 7.616 ( -5.314 0.000 -3.612) 6.426 ======================= Grid point 94 (35/60) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( -8.071 0.000 8.073) 11.416 1.390 ( 8.071 0.000 8.073) 11.416 1.505 ( -9.228 0.000 4.425) 10.234 1.505 ( 9.228 0.000 4.425) 10.234 1.556 ( -5.355 0.000 -1.259) 5.501 1.556 ( 5.355 0.000 -1.259) 5.501 1.593 ( -0.625 0.000 -1.049) 1.222 1.593 ( 0.625 0.000 -1.049) 1.222 1.723 ( -9.588 0.000 -4.897) 10.767 1.723 ( 9.588 0.000 -4.897) 10.767 1.893 ( -8.526 0.000 2.373) 8.850 1.893 ( 8.526 0.000 2.373) 8.850 1.913 ( -6.772 0.000 -10.342) 12.362 1.913 ( 6.772 0.000 -10.342) 12.362 2.198 ( -9.645 0.000 -2.677) 10.010 2.198 ( 9.645 0.000 -2.677) 10.010 2.443 ( -0.711 0.000 3.372) 3.446 2.443 ( 0.711 0.000 3.372) 3.446 2.594 ( -8.504 0.000 -1.464) 8.629 2.594 ( 8.504 0.000 -1.464) 8.629 2.645 ( -4.547 0.000 -1.666) 4.843 2.645 ( 4.547 0.000 -1.666) 4.843 2.727 ( -4.463 0.000 -0.977) 4.569 2.727 ( 4.463 0.000 -0.977) 4.569 3.132 ( -7.408 0.000 6.265) 9.702 3.132 ( 7.408 0.000 6.265) 9.702 3.362 ( -1.215 0.000 1.131) 1.660 3.362 ( 1.215 0.000 1.131) 1.660 3.479 ( -4.207 0.000 2.037) 4.674 3.479 ( 4.207 0.000 2.037) 4.674 3.490 ( -3.313 0.000 5.163) 6.134 3.490 ( 3.313 0.000 5.163) 6.134 4.574 ( -3.716 0.000 1.881) 4.165 4.574 ( 3.716 0.000 1.881) 4.165 4.604 ( -3.445 0.000 1.340) 3.696 4.604 ( 3.445 0.000 1.340) 3.696 4.684 ( -2.509 0.000 -0.609) 2.582 4.684 ( 2.509 0.000 -0.609) 2.582 4.704 ( -4.087 0.000 -0.652) 4.138 4.704 ( 4.087 0.000 -0.652) 4.138 4.959 ( -1.424 0.000 2.819) 3.158 4.959 ( 1.424 0.000 2.819) 3.158 5.055 ( -1.781 0.000 0.846) 1.972 5.055 ( 1.781 0.000 0.846) 1.972 5.442 ( -5.554 0.000 8.253) 9.948 5.442 ( 5.554 0.000 8.253) 9.948 5.455 ( -3.456 0.000 9.031) 9.670 5.455 ( 3.456 0.000 9.031) 9.670 5.557 ( -2.504 0.000 -3.224) 4.082 5.557 ( 2.504 0.000 -3.224) 4.082 5.591 ( -5.296 0.000 0.127) 5.298 5.591 ( 5.296 0.000 0.127) 5.298 5.935 ( -22.170 0.000 -1.399) 22.214 5.935 ( 22.170 0.000 -1.399) 22.214 6.026 ( -17.132 0.000 0.775) 17.149 6.026 ( 17.132 0.000 0.775) 17.149 6.292 ( -16.440 0.000 -1.963) 16.557 6.292 ( 16.440 0.000 -1.963) 16.557 6.368 ( -0.654 0.000 -4.327) 4.376 6.368 ( 0.654 0.000 -4.327) 4.376 6.735 ( -10.390 0.000 -3.801) 11.063 6.735 ( 10.390 0.000 -3.801) 11.063 6.792 ( -11.130 0.000 -4.137) 11.874 6.792 ( 11.130 0.000 -4.137) 11.874 7.031 ( -3.478 0.000 2.616) 4.352 7.031 ( 3.478 0.000 2.616) 4.352 7.255 ( -1.873 0.000 -2.255) 2.932 7.255 ( 1.873 0.000 -2.255) 2.932 7.336 ( -3.518 0.000 1.472) 3.813 7.336 ( 3.518 0.000 1.472) 3.813 7.544 ( -1.994 0.000 -4.677) 5.084 7.544 ( 1.994 0.000 -4.677) 5.084 ======================= Grid point 99 (36/60) ======================= q-point: ( 0.00 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( 0.000 5.514 15.840) 16.773 0.877 ( 0.000 1.505 17.354) 17.419 1.172 ( 0.000 -8.146 4.625) 9.367 1.218 ( 0.000 -7.844 9.718) 12.488 1.616 ( 0.000 1.938 -7.082) 7.343 1.632 ( 0.000 3.256 13.453) 13.841 1.721 ( 0.000 6.381 10.382) 12.186 1.739 ( 0.000 4.214 -0.600) 4.256 1.815 ( 0.000 3.831 -0.379) 3.850 1.824 ( 0.000 4.757 -2.874) 5.558 1.877 ( 0.000 5.194 -5.322) 7.437 1.984 ( 0.000 -3.210 1.372) 3.491 2.152 ( 0.000 -4.333 11.878) 12.644 2.153 ( 0.000 -0.739 -0.202) 0.766 2.233 ( 0.000 -5.002 -2.703) 5.686 2.261 ( 0.000 -3.170 7.705) 8.332 2.339 ( 0.000 -0.979 6.243) 6.320 2.457 ( 0.000 -4.376 2.163) 4.882 2.479 ( 0.000 -2.065 1.782) 2.727 2.514 ( 0.000 -6.794 6.729) 9.562 2.752 ( 0.000 8.113 -6.591) 10.453 2.857 ( 0.000 5.465 -5.441) 7.712 2.937 ( 0.000 2.261 -5.921) 6.338 2.944 ( 0.000 4.476 -7.523) 8.754 3.008 ( 0.000 1.981 1.062) 2.248 3.048 ( 0.000 -2.287 -3.306) 4.020 3.123 ( 0.000 -3.234 -8.888) 9.458 3.162 ( 0.000 -2.205 -10.952) 11.172 3.267 ( 0.000 1.598 0.710) 1.748 3.322 ( 0.000 1.626 0.815) 1.818 3.337 ( 0.000 -0.106 0.023) 0.108 3.442 ( 0.000 -3.846 -1.171) 4.021 4.130 ( 0.000 0.122 4.489) 4.490 4.134 ( 0.000 -0.069 5.151) 5.151 4.269 ( 0.000 0.313 3.000) 3.017 4.270 ( 0.000 0.204 3.693) 3.699 4.403 ( 0.000 0.008 0.087) 0.088 4.427 ( 0.000 -1.241 -1.477) 1.929 4.530 ( 0.000 2.478 -2.316) 3.392 4.616 ( 0.000 -1.310 -5.213) 5.375 4.716 ( 0.000 -1.389 4.644) 4.847 4.739 ( 0.000 -2.719 2.606) 3.766 4.831 ( 0.000 -0.214 1.348) 1.365 4.882 ( 0.000 -1.538 1.153) 1.922 4.966 ( 0.000 3.355 1.419) 3.643 5.023 ( 0.000 0.526 2.510) 2.565 5.045 ( 0.000 7.797 0.800) 7.838 5.233 ( 0.000 -1.481 -3.011) 3.355 5.394 ( 0.000 -0.317 1.299) 1.337 5.405 ( 0.000 -1.394 3.231) 3.519 5.493 ( 0.000 2.275 5.370) 5.832 5.576 ( 0.000 -1.310 3.707) 3.932 5.737 ( 0.000 0.733 -0.645) 0.977 5.829 ( 0.000 -4.464 4.727) 6.501 6.112 ( 0.000 4.555 -2.760) 5.326 6.236 ( 0.000 -1.404 -6.743) 6.887 6.370 ( 0.000 0.319 -4.658) 4.669 6.394 ( 0.000 -0.769 1.407) 1.604 6.509 ( 0.000 3.401 -3.253) 4.707 6.646 ( 0.000 -2.029 -3.033) 3.649 6.789 ( 0.000 0.866 -0.330) 0.927 6.844 ( 0.000 1.898 -1.757) 2.586 7.017 ( 0.000 -8.994 0.774) 9.027 7.022 ( 0.000 -7.520 0.083) 7.521 7.086 ( 0.000 3.000 4.552) 5.451 7.216 ( 0.000 -3.323 3.270) 4.662 7.503 ( 0.000 4.800 -5.490) 7.292 7.585 ( 0.000 -0.482 -9.266) 9.278 7.622 ( 0.000 1.777 1.936) 2.628 7.712 ( 0.000 -1.583 2.917) 3.319 7.758 ( 0.000 5.388 -2.695) 6.025 7.878 ( 0.000 -1.029 -2.108) 2.346 ======================= Grid point 100 (37/60) ======================= q-point: ( 0.12 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( 7.042 4.065 13.642) 15.881 0.945 ( 6.921 2.285 15.308) 16.954 1.192 ( 2.471 -6.662 5.150) 8.775 1.266 ( 4.218 -8.066 7.451) 11.763 1.624 ( 0.781 0.378 -4.486) 4.569 1.654 ( -0.332 0.183 1.277) 1.332 1.713 ( -0.086 7.517 3.884) 8.462 1.745 ( -0.685 5.433 6.835) 8.758 1.790 ( 0.978 5.756 5.651) 8.125 1.832 ( -0.203 1.455 -4.042) 4.301 1.902 ( 2.888 4.618 -3.108) 6.271 1.940 ( -5.142 -3.157 3.283) 6.869 2.029 ( -4.794 1.256 1.903) 5.308 2.202 ( -2.336 -6.203 -3.631) 7.558 2.227 ( -0.875 -5.736 10.181) 11.718 2.281 ( 0.832 -1.892 0.218) 2.079 2.356 ( 3.110 -0.104 6.550) 7.251 2.450 ( -2.971 -7.393 0.770) 8.005 2.483 ( 3.601 1.667 1.591) 4.275 2.559 ( 1.550 0.447 6.380) 6.580 2.682 ( -4.509 3.727 -4.551) 7.412 2.838 ( -5.939 -2.047 -7.519) 9.798 2.843 ( -1.457 5.574 -5.171) 7.742 2.961 ( -2.054 3.322 -6.902) 7.930 3.027 ( 0.876 -0.222 -2.018) 2.211 3.090 ( 5.325 0.791 -0.874) 5.454 3.108 ( -0.815 -2.869 -4.705) 5.571 3.207 ( 3.553 -1.368 -7.754) 8.638 3.266 ( 0.873 1.480 1.703) 2.419 3.336 ( 1.840 1.504 1.690) 2.916 3.397 ( 4.646 -0.141 -0.253) 4.655 3.460 ( 1.496 -2.672 -0.412) 3.090 4.279 ( 12.595 0.263 3.657) 13.118 4.280 ( 13.492 0.225 3.796) 14.017 4.328 ( 5.230 0.716 2.719) 5.938 4.358 ( 7.485 -0.369 3.206) 8.151 4.439 ( 5.003 0.623 1.102) 5.160 4.482 ( 5.726 -0.581 -0.118) 5.756 4.589 ( 5.542 0.339 -0.850) 5.617 4.642 ( 2.420 -1.096 -3.650) 4.515 4.726 ( 0.842 -1.403 4.147) 4.458 4.746 ( 1.016 -3.099 2.726) 4.250 4.870 ( 3.215 0.862 0.563) 3.376 4.899 ( 1.566 -0.252 0.766) 1.761 4.985 ( 2.583 3.157 -0.356) 4.095 5.033 ( 1.128 4.813 1.742) 5.241 5.099 ( 6.029 0.983 -2.196) 6.492 5.238 ( 0.635 -1.337 -2.672) 3.055 5.398 ( 0.743 -0.353 2.622) 2.748 5.413 ( 0.919 -1.169 3.359) 3.673 5.496 ( 0.442 2.125 5.854) 6.243 5.577 ( 0.170 -1.270 4.038) 4.236 5.724 ( -1.288 0.564 -0.743) 1.590 5.808 ( -2.074 -4.287 4.324) 6.433 6.065 ( -4.501 4.987 -2.248) 7.084 6.225 ( -1.465 -1.933 -5.578) 6.082 6.374 ( -1.261 0.208 -0.194) 1.292 6.383 ( 1.454 -0.113 -5.088) 5.293 6.510 ( -0.281 1.925 -3.678) 4.161 6.614 ( -3.256 -1.944 -2.927) 4.791 6.777 ( -1.389 1.107 -0.044) 1.777 6.828 ( -1.742 1.972 -1.487) 3.022 6.998 ( -2.190 -8.295 2.065) 8.824 7.024 ( 0.148 -5.601 -0.730) 5.651 7.078 ( -0.717 1.440 3.609) 3.952 7.205 ( -0.934 -2.984 3.030) 4.354 7.457 ( -4.409 5.113 -4.190) 7.946 7.526 ( -5.336 0.429 -4.647) 7.089 7.607 ( -1.899 0.612 -2.686) 3.346 7.672 ( -4.065 -1.440 2.374) 4.923 7.691 ( -6.267 5.799 -1.731) 8.712 7.832 ( -4.529 -1.329 -2.147) 5.185 ======================= Grid point 101 (38/60) ======================= q-point: ( 0.25 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 8.927 1.824 11.829) 14.931 1.119 ( 10.167 3.306 9.183) 14.094 1.270 ( 5.392 -4.784 4.588) 8.544 1.364 ( 5.779 -6.764 3.661) 9.620 1.602 ( -2.898 -0.711 0.764) 3.080 1.628 ( -1.803 -1.874 -1.684) 3.098 1.674 ( -4.161 1.960 1.799) 4.939 1.724 ( -0.136 3.748 -4.794) 6.087 1.795 ( -6.965 -1.001 3.249) 7.751 1.820 ( -1.362 2.767 -3.579) 4.724 1.895 ( 5.070 6.561 7.623) 11.263 1.931 ( -0.605 6.007 -0.282) 6.044 2.038 ( 5.907 0.083 -0.570) 5.935 2.132 ( -3.727 -3.296 -1.875) 5.316 2.177 ( -4.319 -1.700 1.331) 4.829 2.255 ( -4.914 -2.250 -2.849) 6.110 2.337 ( -4.375 -1.968 2.866) 5.588 2.431 ( 2.652 -3.737 2.597) 5.267 2.542 ( 0.575 2.530 -0.192) 2.602 2.582 ( 1.157 1.951 -0.030) 2.268 2.641 ( -1.140 1.086 1.441) 2.134 2.728 ( -3.064 -4.671 -2.469) 6.107 2.812 ( -2.033 3.612 -2.613) 4.899 2.912 ( -3.397 1.791 -7.390) 8.328 3.018 ( -2.494 0.051 -3.081) 3.964 3.115 ( 5.946 -4.631 1.422) 7.669 3.243 ( 6.774 0.316 2.779) 7.329 3.278 ( 3.871 -0.308 -0.561) 3.924 3.302 ( 2.630 2.122 0.387) 3.401 3.381 ( 2.118 2.210 2.725) 4.098 3.470 ( 2.161 -1.715 0.526) 2.809 3.495 ( 2.096 -0.924 1.334) 2.651 4.407 ( 4.568 1.373 0.109) 4.771 4.458 ( 4.271 -0.342 0.032) 4.285 4.489 ( 7.090 0.845 2.545) 7.580 4.498 ( 6.489 0.799 2.128) 6.875 4.648 ( 3.175 -1.135 0.727) 3.449 4.665 ( 3.849 -0.909 1.473) 4.221 4.705 ( 11.830 -0.916 1.377) 11.945 4.736 ( 3.394 -1.506 1.444) 3.984 4.780 ( 12.014 0.020 4.582) 12.858 4.807 ( 9.869 -1.334 2.874) 10.365 4.904 ( 1.003 2.869 2.295) 3.808 4.956 ( 4.595 -0.295 1.834) 4.956 5.056 ( 5.947 3.824 0.683) 7.103 5.134 ( 9.160 1.836 -2.615) 9.701 5.231 ( 5.471 -1.646 -3.180) 6.538 5.284 ( 4.967 -0.474 -2.844) 5.743 5.432 ( 2.216 0.193 4.811) 5.300 5.460 ( 4.839 -0.937 2.729) 5.634 5.525 ( 2.852 1.122 5.228) 6.060 5.586 ( 0.805 -0.640 7.363) 7.434 5.696 ( -1.038 -0.842 -1.708) 2.169 5.757 ( -2.679 -3.705 2.899) 5.414 5.964 ( -4.602 6.230 -1.865) 7.967 6.180 ( -2.276 -2.528 -4.811) 5.892 6.368 ( 0.554 1.121 -3.503) 3.720 6.427 ( 2.946 -1.184 -5.911) 6.710 6.487 ( -2.474 -0.598 -4.317) 5.012 6.519 ( -6.754 -1.263 -2.604) 7.348 6.727 ( -3.943 1.682 0.825) 4.366 6.769 ( -4.538 2.374 -1.090) 5.236 6.941 ( -3.508 -5.591 2.372) 7.013 7.012 ( -1.872 -6.132 -1.878) 6.681 7.060 ( -1.051 1.064 2.642) 3.036 7.191 ( -0.314 -2.691 2.364) 3.595 7.338 ( -7.993 4.897 -0.684) 9.398 7.408 ( -5.863 1.089 -3.137) 6.738 7.532 ( -7.420 4.282 -1.568) 8.709 7.566 ( -6.513 0.386 0.280) 6.530 7.567 ( -3.702 0.433 -3.693) 5.247 7.717 ( -6.742 -1.863 -2.584) 7.457 ======================= Grid point 102 (39/60) ======================= q-point: ( 0.38 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( 8.261 1.289 9.482) 12.642 1.316 ( 9.457 1.916 4.838) 10.794 1.389 ( 6.374 -3.444 3.188) 7.915 1.483 ( 4.958 -4.258 1.105) 6.628 1.553 ( -1.896 -0.760 1.008) 2.277 1.583 ( -5.035 0.212 3.543) 6.160 1.590 ( -0.026 -1.587 -1.297) 2.050 1.680 ( -1.726 -2.535 2.629) 4.039 1.709 ( -3.423 2.509 -2.943) 5.165 1.763 ( -4.453 1.340 -0.715) 4.705 1.913 ( 1.432 7.218 -8.270) 11.069 1.961 ( -8.048 0.082 -7.332) 10.888 1.998 ( -7.886 -0.959 1.018) 8.009 2.066 ( 3.786 6.629 -1.716) 7.825 2.137 ( -2.555 3.658 -3.503) 5.673 2.266 ( 9.772 -3.886 -0.568) 10.532 2.330 ( -0.490 -0.904 1.532) 1.845 2.427 ( -1.779 -4.836 -1.714) 5.431 2.532 ( -2.792 -1.188 1.580) 3.421 2.546 ( -1.147 -1.011 1.014) 1.834 2.652 ( 2.706 1.376 1.364) 3.328 2.699 ( -2.389 -2.123 -1.321) 3.458 2.774 ( -2.548 1.387 0.443) 2.935 2.810 ( -6.341 0.158 -6.611) 9.162 3.043 ( 5.549 4.043 3.511) 7.711 3.253 ( 3.321 -2.173 4.527) 6.020 3.277 ( 1.841 -1.147 4.680) 5.158 3.361 ( 3.301 0.553 -0.974) 3.486 3.389 ( 4.855 -0.039 3.698) 6.103 3.403 ( 0.223 2.499 3.028) 3.932 3.495 ( 0.530 -2.200 2.835) 3.627 3.518 ( 0.042 -0.857 1.964) 2.143 4.497 ( 4.649 1.102 0.111) 4.779 4.535 ( 3.754 -0.003 0.614) 3.804 4.590 ( 3.788 1.377 2.300) 4.640 4.613 ( 5.060 0.338 1.172) 5.205 4.648 ( -1.227 -0.531 0.588) 1.461 4.671 ( -1.221 -1.089 -0.297) 1.663 4.749 ( -0.859 0.676 0.888) 1.408 4.759 ( -1.071 -0.436 -0.992) 1.523 4.926 ( 2.661 1.382 4.322) 5.260 4.936 ( 2.648 0.018 2.386) 3.565 5.011 ( 1.700 -0.272 1.698) 2.418 5.034 ( 3.370 -0.998 1.523) 3.831 5.328 ( 7.881 0.261 3.241) 8.526 5.355 ( 8.357 -0.851 3.504) 9.101 5.400 ( 13.613 0.693 -0.431) 13.638 5.417 ( 16.381 -0.577 2.624) 16.600 5.479 ( 4.759 1.388 5.584) 7.467 5.537 ( 1.939 -0.667 4.321) 4.783 5.568 ( 0.162 1.352 3.833) 4.068 5.586 ( 0.939 1.673 3.292) 3.811 5.681 ( -2.973 -2.847 -0.397) 4.136 5.751 ( 4.183 -3.497 0.925) 5.530 6.006 ( 11.654 5.755 -3.004) 13.340 6.174 ( -0.286 -0.906 -7.440) 7.501 6.332 ( -11.775 -0.461 -1.053) 11.831 6.388 ( -0.256 1.186 -4.681) 4.836 6.390 ( -5.845 -2.080 -2.539) 6.703 6.484 ( 0.796 -2.216 -5.979) 6.426 6.654 ( -4.280 2.199 -0.708) 4.864 6.660 ( -2.240 1.534 -0.775) 2.823 6.846 ( -7.000 -6.244 0.099) 9.381 6.924 ( -7.831 -6.675 -3.404) 10.838 7.048 ( 0.276 3.879 2.580) 4.666 7.176 ( -7.107 4.255 1.706) 8.458 7.201 ( 1.230 -2.073 1.405) 2.790 7.311 ( -4.250 -0.140 -1.041) 4.377 7.407 ( -4.163 5.925 -2.027) 7.519 7.443 ( -5.398 1.339 -0.801) 5.619 7.521 ( -1.321 -1.369 -5.104) 5.447 7.594 ( -5.394 -2.172 -3.582) 6.830 ======================= Grid point 103 (40/60) ======================= q-point: (-0.50 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( -4.864 -0.108 7.240) 8.723 1.382 ( 4.864 -0.108 7.240) 8.723 1.474 ( -2.172 -4.560 1.125) 5.175 1.474 ( 2.172 -4.560 1.125) 5.175 1.558 ( -5.082 3.653 2.726) 6.827 1.558 ( 5.082 3.653 2.726) 6.827 1.624 ( -2.809 1.388 -0.776) 3.228 1.624 ( 2.809 1.388 -0.776) 3.228 1.724 ( -10.909 -0.290 -5.087) 12.040 1.724 ( 10.909 -0.290 -5.087) 12.040 1.821 ( -8.151 -4.208 1.500) 9.295 1.821 ( 8.151 -4.208 1.500) 9.295 2.024 ( -5.350 7.943 -10.426) 14.156 2.024 ( 5.350 7.943 -10.426) 14.156 2.230 ( -7.561 1.906 -4.220) 8.867 2.230 ( 7.561 1.906 -4.220) 8.867 2.428 ( -3.324 -1.811 3.362) 5.063 2.428 ( 3.324 -1.811 3.362) 5.063 2.497 ( -1.870 -5.692 0.864) 6.053 2.497 ( 1.870 -5.692 0.864) 6.053 2.692 ( -2.943 1.745 -2.085) 4.006 2.692 ( 2.943 1.745 -2.085) 4.006 2.723 ( -3.823 -0.267 -0.233) 3.840 2.723 ( 3.823 -0.267 -0.233) 3.840 3.173 ( -6.518 3.899 5.787) 9.549 3.173 ( 6.518 3.899 5.787) 9.549 3.374 ( -2.976 -1.575 3.205) 4.649 3.374 ( 2.976 -1.575 3.205) 4.649 3.421 ( -1.689 -0.967 2.511) 3.177 3.421 ( 1.689 -0.967 2.511) 3.177 3.504 ( -1.093 -0.639 3.039) 3.292 3.504 ( 1.093 -0.639 3.039) 3.292 4.578 ( -2.884 0.461 1.701) 3.380 4.578 ( 2.884 0.461 1.701) 3.380 4.606 ( -2.307 -0.242 1.371) 2.695 4.606 ( 2.307 -0.242 1.371) 2.695 4.687 ( -1.195 0.878 -1.319) 1.985 4.687 ( 1.195 0.878 -1.319) 1.985 4.721 ( -1.158 0.724 -0.860) 1.614 4.721 ( 1.158 0.724 -0.860) 1.614 4.960 ( -0.627 0.481 3.093) 3.192 4.960 ( 0.627 0.481 3.093) 3.192 5.035 ( -1.345 -1.893 1.792) 2.934 5.035 ( 1.345 -1.893 1.792) 2.934 5.437 ( -4.761 0.073 9.602) 10.717 5.437 ( 4.761 0.073 9.602) 10.717 5.465 ( -4.402 -0.070 9.244) 10.238 5.465 ( 4.402 -0.070 9.244) 10.238 5.550 ( -1.992 0.477 -2.777) 3.451 5.550 ( 1.992 0.477 -2.777) 3.451 5.601 ( -3.573 0.019 -2.856) 4.574 5.601 ( 3.573 0.019 -2.856) 4.574 5.938 ( -20.813 0.539 -0.495) 20.826 5.938 ( 20.813 0.539 -0.495) 20.826 6.005 ( -17.195 -1.937 0.947) 17.330 6.005 ( 17.195 -1.937 0.947) 17.330 6.325 ( -14.342 2.955 -2.870) 14.922 6.325 ( 14.342 2.955 -2.870) 14.922 6.382 ( -1.606 0.998 -4.895) 5.248 6.382 ( 1.606 0.998 -4.895) 5.248 6.691 ( -6.961 -2.993 -2.438) 7.960 6.691 ( 6.961 -2.993 -2.438) 7.960 6.739 ( -8.724 -4.644 -3.450) 10.468 6.739 ( 8.724 -4.644 -3.450) 10.468 7.080 ( -3.080 4.419 2.437) 5.912 7.080 ( 3.080 4.419 2.437) 5.912 7.243 ( -2.897 -2.084 0.376) 3.588 7.243 ( 2.897 -2.084 0.376) 3.588 7.378 ( -1.053 4.045 -1.971) 4.621 7.378 ( 1.053 4.045 -1.971) 4.621 7.524 ( -1.805 -2.056 -4.588) 5.341 7.524 ( 1.805 -2.056 -4.588) 5.341 ======================= Grid point 108 (41/60) ======================= q-point: ( 0.00 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( 0.000 -0.496 12.198) 12.208 0.924 ( 0.000 0.496 12.198) 12.208 1.078 ( 0.000 -2.784 12.077) 12.393 1.078 ( 0.000 2.784 12.077) 12.393 1.640 ( 0.000 -0.938 -4.695) 4.788 1.640 ( 0.000 0.938 -4.695) 4.788 1.820 ( 0.000 -0.393 -0.381) 0.547 1.820 ( 0.000 0.393 -0.381) 0.547 1.900 ( 0.000 -3.609 2.239) 4.247 1.900 ( 0.000 3.609 2.239) 4.247 1.946 ( 0.000 -5.104 9.149) 10.476 1.946 ( 0.000 5.104 9.149) 10.476 2.058 ( 0.000 -2.972 1.137) 3.182 2.058 ( 0.000 2.972 1.137) 3.182 2.228 ( 0.000 -0.958 2.722) 2.886 2.228 ( 0.000 0.958 2.722) 2.886 2.345 ( 0.000 -3.696 5.863) 6.930 2.345 ( 0.000 3.696 5.863) 6.930 2.463 ( 0.000 -0.277 4.470) 4.478 2.463 ( 0.000 0.277 4.470) 4.478 2.874 ( 0.000 -3.143 -7.197) 7.853 2.874 ( 0.000 3.143 -7.197) 7.853 2.988 ( 0.000 -3.090 -4.419) 5.392 2.988 ( 0.000 3.090 -4.419) 5.392 3.048 ( 0.000 -4.399 -7.913) 9.053 3.048 ( 0.000 4.399 -7.913) 9.053 3.082 ( 0.000 -5.187 -4.345) 6.767 3.082 ( 0.000 5.187 -4.345) 6.767 3.325 ( 0.000 -2.148 -1.666) 2.718 3.325 ( 0.000 2.148 -1.666) 2.718 3.356 ( 0.000 -3.313 0.817) 3.413 3.356 ( 0.000 3.313 0.817) 3.413 4.133 ( 0.000 -0.119 4.829) 4.831 4.133 ( 0.000 0.119 4.829) 4.831 4.273 ( 0.000 -0.022 3.438) 3.438 4.273 ( 0.000 0.022 3.438) 3.438 4.410 ( 0.000 -0.587 -0.675) 0.894 4.410 ( 0.000 0.587 -0.675) 0.894 4.580 ( 0.000 -2.277 -4.255) 4.826 4.580 ( 0.000 2.277 -4.255) 4.826 4.704 ( 0.000 -0.550 3.528) 3.571 4.704 ( 0.000 0.550 3.528) 3.571 4.848 ( 0.000 -1.604 1.245) 2.030 4.848 ( 0.000 1.604 1.245) 2.030 5.017 ( 0.000 -1.444 2.065) 2.520 5.017 ( 0.000 1.444 2.065) 2.520 5.174 ( 0.000 -4.753 -0.620) 4.793 5.174 ( 0.000 4.753 -0.620) 4.793 5.391 ( 0.000 -0.152 1.576) 1.583 5.391 ( 0.000 0.152 1.576) 1.583 5.538 ( 0.000 -2.290 4.714) 5.240 5.538 ( 0.000 2.290 4.714) 5.240 5.763 ( 0.000 -2.086 2.548) 3.293 5.763 ( 0.000 2.086 2.548) 3.293 6.190 ( 0.000 -3.184 -4.438) 5.462 6.190 ( 0.000 3.184 -4.438) 5.462 6.379 ( 0.000 -0.631 -1.855) 1.959 6.379 ( 0.000 0.631 -1.855) 1.959 6.587 ( 0.000 -3.848 -3.125) 4.957 6.587 ( 0.000 3.848 -3.125) 4.957 6.844 ( 0.000 -5.557 1.209) 5.687 6.844 ( 0.000 5.557 1.209) 5.687 6.911 ( 0.000 -4.863 -1.611) 5.123 6.911 ( 0.000 4.863 -1.611) 5.123 7.153 ( 0.000 -3.443 4.080) 5.339 7.153 ( 0.000 3.443 4.080) 5.339 7.565 ( 0.000 -1.784 -7.700) 7.904 7.565 ( 0.000 1.784 -7.700) 7.904 7.669 ( 0.000 -2.623 2.852) 3.875 7.669 ( 0.000 2.623 2.852) 3.875 7.841 ( 0.000 -2.875 -2.725) 3.961 7.841 ( 0.000 2.875 -2.725) 3.961 ======================= Grid point 110 (42/60) ======================= q-point: ( 0.12 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 6.156 -2.029 10.814) 12.607 0.990 ( 6.156 2.029 10.814) 12.607 1.124 ( 4.517 -3.882 10.652) 12.204 1.124 ( 4.517 3.882 10.652) 12.204 1.640 ( -0.559 -1.209 -4.166) 4.374 1.640 ( -0.559 1.209 -4.166) 4.374 1.823 ( -0.925 -2.617 -4.655) 5.420 1.823 ( -0.925 2.617 -4.655) 5.420 1.854 ( -4.088 -5.424 3.426) 7.607 1.854 ( -4.088 5.424 3.426) 7.607 1.942 ( 1.630 -5.786 9.091) 10.899 1.942 ( 1.630 5.786 9.091) 10.899 2.048 ( -0.545 -5.461 1.693) 5.743 2.048 ( -0.545 5.461 1.693) 5.743 2.228 ( -1.120 -3.674 1.327) 4.063 2.228 ( -1.120 3.674 1.327) 4.063 2.353 ( 0.834 -1.303 6.118) 6.310 2.353 ( 0.834 1.303 6.118) 6.310 2.526 ( 5.690 -2.398 4.658) 7.734 2.526 ( 5.690 2.398 4.658) 7.734 2.772 ( -8.253 -4.253 -7.622) 12.012 2.772 ( -8.253 4.253 -7.622) 12.012 2.953 ( -2.542 -4.531 -6.709) 8.486 2.953 ( -2.542 4.531 -6.709) 8.486 3.043 ( -1.193 -2.862 -3.958) 5.028 3.043 ( -1.193 2.862 -3.958) 5.028 3.152 ( 5.506 -3.880 -3.204) 7.459 3.152 ( 5.506 3.880 -3.204) 7.459 3.321 ( 1.167 -2.897 0.407) 3.149 3.321 ( 1.167 2.897 0.407) 3.149 3.411 ( 3.675 -1.743 0.184) 4.071 3.411 ( 3.675 1.743 0.184) 4.071 4.282 ( 13.668 -0.039 3.834) 14.196 4.282 ( 13.668 0.039 3.834) 14.196 4.345 ( 5.770 -0.865 2.856) 6.496 4.345 ( 5.770 0.865 2.856) 6.496 4.460 ( 6.011 -1.354 0.671) 6.198 4.460 ( 6.011 1.354 0.671) 6.198 4.614 ( 3.184 -1.602 -2.967) 4.638 4.614 ( 3.184 1.602 -2.967) 4.638 4.711 ( 0.860 -0.271 3.734) 3.841 4.711 ( 0.860 0.271 3.734) 3.841 4.888 ( 3.500 -0.907 0.240) 3.623 4.888 ( 3.500 0.907 0.240) 3.623 5.038 ( 2.744 -1.961 -0.026) 3.373 5.038 ( 2.744 1.961 -0.026) 3.373 5.182 ( 1.082 -4.424 -0.603) 4.594 5.182 ( 1.082 4.424 -0.603) 4.594 5.398 ( 0.932 -0.399 2.322) 2.534 5.398 ( 0.932 0.399 2.322) 2.534 5.540 ( 0.250 -2.285 4.880) 5.394 5.540 ( 0.250 2.285 4.880) 5.394 5.746 ( -1.686 -1.888 2.527) 3.576 5.746 ( -1.686 1.888 2.527) 3.576 6.161 ( -3.068 -4.396 -3.622) 6.469 6.161 ( -3.068 4.396 -3.622) 6.469 6.379 ( 0.268 -0.287 -2.953) 2.979 6.379 ( 0.268 0.287 -2.953) 2.979 6.563 ( -2.422 -3.015 -3.153) 4.989 6.563 ( -2.422 3.015 -3.153) 4.989 6.830 ( -1.559 -4.276 1.355) 4.749 6.830 ( -1.559 4.276 1.355) 4.749 6.915 ( 0.136 -4.095 -1.885) 4.510 6.915 ( 0.136 4.095 -1.885) 4.510 7.142 ( -1.051 -3.600 3.895) 5.406 7.142 ( -1.051 3.600 3.895) 5.406 7.520 ( -4.330 -1.470 -5.796) 7.383 7.520 ( -4.330 1.470 -5.796) 7.383 7.634 ( -3.471 -2.035 1.270) 4.219 7.634 ( -3.471 2.035 1.270) 4.219 7.786 ( -5.307 -3.462 -2.399) 6.775 7.786 ( -5.307 3.462 -2.399) 6.775 ======================= Grid point 112 (43/60) ======================= q-point: ( 0.25 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 8.258 -3.443 8.575) 12.393 1.135 ( 8.258 3.443 8.575) 12.393 1.243 ( 7.583 -4.551 6.825) 11.171 1.243 ( 7.583 4.551 6.825) 11.171 1.602 ( -2.969 -0.734 -1.724) 3.511 1.602 ( -2.969 0.734 -1.724) 3.511 1.721 ( -6.708 -2.435 2.644) 7.611 1.721 ( -6.708 2.435 2.644) 7.611 1.828 ( -1.139 -2.107 -3.818) 4.507 1.828 ( -1.139 2.107 -3.818) 4.507 1.986 ( 1.540 -1.129 -6.942) 7.200 1.986 ( 1.540 1.129 -6.942) 7.200 2.089 ( 5.791 -5.189 11.192) 13.629 2.089 ( 5.791 5.189 11.192) 13.629 2.164 ( -5.501 -5.356 -0.848) 7.725 2.164 ( -5.501 5.356 -0.848) 7.725 2.352 ( -1.368 -3.658 2.056) 4.414 2.352 ( -1.368 3.658 2.056) 4.414 2.616 ( -4.551 -1.784 -3.475) 5.998 2.616 ( -4.551 1.784 -3.475) 5.998 2.639 ( 2.311 -2.449 2.564) 4.232 2.639 ( 2.311 2.449 2.564) 4.232 2.894 ( -3.925 -3.517 -6.510) 8.376 2.894 ( -3.925 3.517 -6.510) 8.376 3.038 ( 2.259 -2.322 -0.320) 3.255 3.038 ( 2.259 2.322 -0.320) 3.255 3.261 ( 5.223 -1.330 0.526) 5.415 3.261 ( 5.223 1.330 0.526) 5.415 3.365 ( 2.850 -3.338 1.676) 4.698 3.365 ( 2.850 3.338 1.676) 4.698 3.469 ( 1.929 -1.481 1.275) 2.746 3.469 ( 1.929 1.481 1.275) 2.746 4.439 ( 4.557 -1.548 0.056) 4.813 4.439 ( 4.557 1.548 0.056) 4.813 4.504 ( 7.075 -0.366 2.245) 7.432 4.504 ( 7.075 0.366 2.245) 7.432 4.644 ( 3.293 -0.773 0.878) 3.494 4.644 ( 3.293 0.773 0.878) 3.494 4.704 ( 6.650 -1.050 0.832) 6.784 4.704 ( 6.650 1.050 0.832) 6.784 4.788 ( 12.751 -0.677 4.426) 13.515 4.788 ( 12.751 0.677 4.426) 13.515 4.945 ( 2.626 -1.165 2.222) 3.632 4.945 ( 2.626 1.165 2.222) 3.632 5.124 ( 5.547 -2.772 -1.750) 6.443 5.124 ( 5.547 2.772 -1.750) 6.443 5.249 ( 6.174 -2.687 -1.672) 6.938 5.249 ( 6.174 2.687 -1.672) 6.938 5.442 ( 3.950 -0.776 2.706) 4.850 5.442 ( 3.950 0.776 2.706) 4.850 5.556 ( 1.818 -1.974 5.730) 6.328 5.556 ( 1.818 1.974 5.730) 6.328 5.702 ( -2.534 -1.706 2.259) 3.799 5.702 ( -2.534 1.706 2.259) 3.799 6.091 ( -2.864 -6.067 -3.667) 7.646 6.091 ( -2.864 6.067 -3.667) 7.646 6.397 ( 1.463 -1.682 -4.648) 5.155 6.397 ( 1.463 1.682 -4.648) 5.155 6.492 ( -5.154 -1.114 -3.136) 6.135 6.492 ( -5.154 1.114 -3.136) 6.135 6.779 ( -3.839 -2.975 1.686) 5.141 6.779 ( -3.839 2.975 1.686) 5.141 6.898 ( -2.448 -3.971 -2.371) 5.233 6.898 ( -2.448 3.971 -2.371) 5.233 7.123 ( -0.548 -3.857 3.312) 5.114 7.123 ( -0.548 3.857 3.312) 5.114 7.408 ( -7.016 -1.731 -1.753) 7.436 7.408 ( -7.016 1.731 -1.753) 7.436 7.549 ( -4.725 -0.627 -2.033) 5.182 7.549 ( -4.725 0.627 -2.033) 5.182 7.658 ( -7.315 -4.293 -2.418) 8.820 7.658 ( -7.315 4.293 -2.418) 8.820 ======================= Grid point 114 (44/60) ======================= q-point: ( 0.38 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( 7.367 -3.263 6.541) 10.378 1.291 ( 7.367 3.263 6.541) 10.378 1.398 ( 6.568 -3.748 3.281) 8.244 1.398 ( 6.568 3.748 3.281) 8.244 1.559 ( -0.121 -0.940 0.140) 0.958 1.559 ( -0.121 0.940 0.140) 0.958 1.621 ( -2.268 -2.631 2.356) 4.197 1.621 ( -2.268 2.631 2.356) 4.197 1.761 ( -5.266 -1.926 -2.678) 6.213 1.761 ( -5.266 1.926 -2.678) 6.213 1.959 ( -9.671 -1.473 -1.637) 9.918 1.959 ( -9.671 1.473 -1.637) 9.918 2.084 ( 3.711 -6.149 -9.899) 12.230 2.084 ( 3.711 6.149 -9.899) 12.230 2.225 ( 4.606 -2.399 1.179) 5.325 2.225 ( 4.606 2.399 1.179) 5.325 2.316 ( -0.108 -2.956 -0.156) 2.962 2.316 ( -0.108 2.956 -0.156) 2.962 2.528 ( -4.327 -0.711 2.592) 5.094 2.528 ( -4.327 0.711 2.592) 5.094 2.672 ( 0.938 -0.848 0.175) 1.277 2.672 ( 0.938 0.848 0.175) 1.277 2.801 ( -5.131 -1.041 -3.782) 6.459 2.801 ( -5.131 1.041 -3.782) 6.459 3.143 ( 7.335 -5.984 4.002) 10.277 3.143 ( 7.335 5.984 4.002) 10.277 3.325 ( 0.556 -3.366 3.864) 5.154 3.325 ( 0.556 3.366 3.864) 5.154 3.420 ( 2.821 -2.261 1.877) 4.073 3.420 ( 2.821 2.261 1.877) 4.073 3.484 ( -0.169 -2.105 2.087) 2.969 3.484 ( -0.169 2.105 2.087) 2.969 4.522 ( 4.059 -1.229 0.195) 4.245 4.522 ( 4.059 1.229 0.195) 4.245 4.614 ( 3.717 -0.778 2.601) 4.603 4.614 ( 3.717 0.778 2.601) 4.603 4.650 ( 0.060 -0.852 -0.937) 1.268 4.650 ( 0.060 0.852 -0.937) 1.268 4.751 ( -0.047 -0.602 -0.641) 0.881 4.751 ( -0.047 0.602 -0.641) 0.881 4.944 ( 2.579 -0.871 4.208) 5.012 4.944 ( 2.579 0.871 4.208) 5.012 5.011 ( 0.795 -1.006 1.818) 2.225 5.011 ( 0.795 1.006 1.818) 2.225 5.338 ( 8.446 -0.771 3.782) 9.286 5.338 ( 8.446 0.771 3.782) 9.286 5.409 ( 14.272 -0.311 1.568) 14.361 5.409 ( 14.272 0.311 1.568) 14.361 5.513 ( 2.728 -1.688 3.033) 4.414 5.513 ( 2.728 1.688 3.033) 4.414 5.599 ( 1.465 -1.452 3.847) 4.365 5.599 ( 1.465 1.452 3.847) 4.365 5.675 ( 2.030 -3.240 1.231) 4.017 5.675 ( 2.030 3.240 1.231) 4.017 6.121 ( 5.971 -4.826 -6.083) 9.795 6.121 ( 5.971 4.826 -6.083) 9.795 6.339 ( -9.419 -1.605 -1.596) 9.687 6.339 ( -9.419 1.605 -1.596) 9.687 6.433 ( 0.944 -2.634 -5.120) 5.835 6.433 ( 0.944 2.634 -5.120) 5.835 6.691 ( -4.376 -1.769 0.717) 4.774 6.691 ( -4.376 1.769 0.717) 4.774 6.802 ( -7.527 -3.987 -2.570) 8.897 6.802 ( -7.527 3.987 -2.570) 8.897 7.129 ( 1.290 -4.063 2.443) 4.913 7.129 ( 1.290 4.063 2.443) 4.913 7.270 ( -6.464 -3.776 1.003) 7.553 7.270 ( -6.464 3.776 1.003) 7.553 7.476 ( -2.441 -2.227 -4.029) 5.211 7.476 ( -2.441 2.227 -4.029) 5.211 7.529 ( -5.378 -4.245 -3.279) 7.596 7.529 ( -5.378 4.245 -3.279) 7.596 ======================= Grid point 116 (45/60) ======================= q-point: (-0.50 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( -3.704 -2.241 4.434) 6.197 1.402 ( -0.478 -1.285 4.434) 4.641 1.402 ( 0.478 1.285 4.434) 4.641 1.402 ( 3.704 2.241 4.434) 6.197 1.623 ( -3.326 -1.973 0.441) 3.892 1.623 ( -0.537 -1.096 0.441) 1.297 1.623 ( 0.537 1.096 0.441) 1.297 1.623 ( 3.326 1.973 0.441) 3.892 1.743 ( -9.396 -3.035 -1.531) 9.992 1.743 ( -9.189 2.872 -1.531) 9.748 1.743 ( 9.189 -2.872 -1.531) 9.748 1.743 ( 9.396 3.035 -1.531) 9.992 2.186 ( -5.155 -6.961 -10.468) 13.587 2.186 ( 5.149 -6.959 -10.468) 13.584 2.186 ( -5.149 6.959 -10.468) 13.584 2.186 ( 5.155 6.961 -10.468) 13.587 2.418 ( -6.818 -2.265 5.160) 8.845 2.418 ( -5.951 1.537 5.160) 8.025 2.418 ( 5.951 -1.537 5.160) 8.025 2.418 ( 6.818 2.265 5.160) 8.845 2.714 ( -3.496 -0.725 -1.075) 3.729 2.714 ( -3.329 0.490 -1.075) 3.532 2.714 ( 3.329 -0.490 -1.075) 3.532 2.714 ( 3.496 0.725 -1.075) 3.729 3.274 ( -5.323 -5.924 5.185) 9.503 3.274 ( 5.160 -5.888 5.185) 9.390 3.274 ( -5.160 5.888 5.185) 9.390 3.274 ( 5.323 5.924 5.185) 9.503 3.466 ( -1.387 -2.852 2.134) 3.822 3.466 ( 0.887 -2.801 2.134) 3.632 3.466 ( -0.887 2.801 2.134) 3.632 3.466 ( 1.387 2.852 2.134) 3.822 4.592 ( -2.959 -0.805 1.403) 3.372 4.592 ( -2.513 0.197 1.403) 2.885 4.592 ( 2.513 -0.197 1.403) 2.885 4.592 ( 2.959 0.805 1.403) 3.372 4.714 ( -2.910 -0.907 -1.542) 3.415 4.714 ( -2.664 -0.693 -1.542) 3.155 4.714 ( 2.664 0.693 -1.542) 3.155 4.714 ( 2.910 0.907 -1.542) 3.415 4.989 ( -1.177 -2.167 3.079) 3.944 4.989 ( -0.507 -2.101 3.079) 3.761 4.989 ( 0.507 2.101 3.079) 3.761 4.989 ( 1.177 2.167 3.079) 3.944 5.449 ( -4.592 -1.010 10.038) 11.084 5.449 ( -4.578 0.994 10.038) 11.077 5.449 ( 4.578 -0.994 10.038) 11.077 5.449 ( 4.592 1.010 10.038) 11.084 5.580 ( -2.760 -1.858 -3.868) 5.102 5.580 ( 2.550 -1.782 -3.868) 4.964 5.580 ( -2.550 1.782 -3.868) 4.964 5.580 ( 2.760 1.858 -3.868) 5.102 5.963 ( -19.853 -1.832 0.712) 19.950 5.963 ( -19.811 1.716 0.712) 19.898 5.963 ( 19.811 -1.716 0.712) 19.898 5.963 ( 19.853 1.832 0.712) 19.950 6.381 ( -8.013 -1.671 -4.857) 9.518 6.381 ( -7.795 1.389 -4.857) 9.288 6.381 ( 7.795 -1.389 -4.857) 9.288 6.381 ( 8.013 1.671 -4.857) 9.518 6.666 ( -3.558 -1.366 -1.716) 4.180 6.666 ( -3.427 1.279 -1.716) 4.040 6.666 ( 3.427 -1.279 -1.716) 4.040 6.666 ( 3.558 1.366 -1.716) 4.180 7.174 ( -3.372 -4.497 1.801) 5.902 7.174 ( 3.028 -4.435 1.801) 5.665 7.174 ( -3.028 4.435 1.801) 5.665 7.174 ( 3.372 4.497 1.801) 5.902 7.463 ( -1.163 -3.953 -4.064) 5.787 7.463 ( 1.023 -3.943 -4.064) 5.754 7.463 ( -1.023 3.943 -4.064) 5.754 7.463 ( 1.163 3.953 -4.064) 5.787 ======================= Grid point 135 (46/60) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 0.000 0.000 16.190) 16.190 1.247 ( 0.000 0.000 16.184) 16.184 1.332 ( 0.000 0.000 3.437) 3.437 1.459 ( 0.000 0.000 -5.726) 5.726 1.477 ( 0.000 0.000 -13.142) 13.142 1.495 ( 0.000 0.000 9.202) 9.202 1.543 ( 0.000 0.000 -11.267) 11.267 1.674 ( 0.000 0.000 -6.261) 6.261 1.772 ( 0.000 0.000 -0.384) 0.384 1.772 ( 0.000 0.000 0.226) 0.226 2.029 ( 0.000 0.000 5.535) 5.535 2.123 ( 0.000 0.000 -3.703) 3.703 2.250 ( 0.000 0.000 19.918) 19.918 2.293 ( 0.000 0.000 8.993) 8.993 2.407 ( 0.000 0.000 6.163) 6.163 2.422 ( 0.000 0.000 -8.540) 8.540 2.423 ( 0.000 0.000 10.295) 10.295 2.580 ( 0.000 0.000 10.306) 10.306 2.583 ( 0.000 0.000 -4.787) 4.787 2.636 ( 0.000 0.000 6.232) 6.232 2.673 ( 0.000 0.000 -1.376) 1.376 2.695 ( 0.000 0.000 2.328) 2.328 2.712 ( 0.000 0.000 -7.496) 7.496 2.757 ( 0.000 0.000 -9.068) 9.068 2.826 ( 0.000 0.000 -15.570) 15.570 2.911 ( 0.000 0.000 -13.260) 13.260 3.062 ( 0.000 0.000 2.409) 2.409 3.062 ( 0.000 0.000 1.428) 1.428 3.304 ( 0.000 0.000 1.275) 1.275 3.315 ( 0.000 0.000 0.298) 0.298 3.347 ( 0.000 0.000 1.359) 1.359 3.414 ( 0.000 0.000 -4.322) 4.322 4.217 ( 0.000 0.000 3.649) 3.649 4.238 ( 0.000 0.000 3.985) 3.985 4.274 ( 0.000 0.000 -1.487) 1.487 4.294 ( 0.000 0.000 -1.045) 1.045 4.423 ( 0.000 0.000 1.536) 1.536 4.441 ( 0.000 0.000 1.911) 1.911 4.466 ( 0.000 0.000 -2.156) 2.156 4.517 ( 0.000 0.000 -4.785) 4.785 4.827 ( 0.000 0.000 1.993) 1.993 4.861 ( 0.000 0.000 -1.091) 1.091 4.880 ( 0.000 0.000 7.086) 7.086 4.931 ( 0.000 0.000 1.730) 1.730 4.964 ( 0.000 0.000 2.153) 2.153 4.973 ( 0.000 0.000 1.305) 1.305 5.026 ( 0.000 0.000 -0.794) 0.794 5.100 ( 0.000 0.000 -7.464) 7.464 5.478 ( 0.000 0.000 1.465) 1.465 5.510 ( 0.000 0.000 -1.074) 1.074 5.514 ( 0.000 0.000 7.385) 7.385 5.622 ( 0.000 0.000 -1.466) 1.466 5.811 ( 0.000 0.000 9.424) 9.424 5.979 ( 0.000 0.000 1.206) 1.206 5.996 ( 0.000 0.000 -1.404) 1.404 6.044 ( 0.000 0.000 -11.131) 11.131 6.303 ( 0.000 0.000 0.792) 0.792 6.377 ( 0.000 0.000 -4.834) 4.834 6.483 ( 0.000 0.000 4.688) 4.688 6.586 ( 0.000 0.000 -4.572) 4.572 6.782 ( 0.000 0.000 0.396) 0.396 6.798 ( 0.000 0.000 -1.092) 1.092 7.112 ( 0.000 0.000 1.464) 1.464 7.140 ( 0.000 0.000 -0.969) 0.969 7.181 ( 0.000 0.000 7.525) 7.525 7.316 ( 0.000 0.000 0.308) 0.308 7.339 ( 0.000 0.000 -1.613) 1.613 7.371 ( 0.000 0.000 -10.042) 10.042 7.629 ( 0.000 0.000 1.079) 1.079 7.654 ( 0.000 0.000 -1.248) 1.248 7.788 ( 0.000 0.000 2.709) 2.709 7.842 ( 0.000 0.000 -2.353) 2.353 ======================= Grid point 136 (47/60) ======================= q-point: ( 0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 3.144 0.000 13.562) 13.921 1.264 ( 1.746 0.000 11.594) 11.725 1.363 ( 2.383 0.000 6.485) 6.909 1.463 ( 0.943 0.000 -6.168) 6.239 1.468 ( 1.626 0.000 -4.370) 4.663 1.549 ( 3.038 0.000 1.987) 3.630 1.592 ( 4.133 0.000 -9.307) 10.183 1.689 ( 1.390 0.000 -5.466) 5.640 1.745 ( -2.525 0.000 -0.210) 2.534 1.751 ( -2.109 0.000 -0.681) 2.216 2.005 ( -2.901 0.000 4.257) 5.152 2.064 ( -6.027 0.000 -0.706) 6.068 2.209 ( -6.202 0.000 1.334) 6.344 2.268 ( 0.755 0.000 22.784) 22.797 2.314 ( -9.141 0.000 -7.249) 11.667 2.376 ( -4.604 0.000 7.270) 8.605 2.449 ( 1.801 0.000 5.916) 6.184 2.517 ( -4.122 0.000 -1.538) 4.399 2.565 ( 0.152 0.000 -3.619) 3.622 2.590 ( -0.853 0.000 8.148) 8.193 2.667 ( -4.056 0.000 -0.773) 4.128 2.698 ( -3.688 0.000 -12.370) 12.908 2.733 ( 2.091 0.000 0.813) 2.243 2.782 ( 3.837 0.000 0.450) 3.863 2.908 ( 1.174 0.000 -10.380) 10.447 2.919 ( 8.574 0.000 -9.532) 12.821 3.137 ( 6.103 0.000 1.821) 6.369 3.149 ( 7.429 0.000 1.969) 7.686 3.324 ( 2.154 0.000 1.871) 2.854 3.338 ( 2.056 0.000 1.020) 2.295 3.389 ( 4.218 0.000 0.002) 4.218 3.437 ( 2.251 0.000 -3.653) 4.291 4.325 ( 5.331 0.000 1.412) 5.514 4.331 ( 8.761 0.000 1.113) 8.831 4.367 ( 8.326 0.000 1.326) 8.431 4.387 ( 6.911 0.000 -0.513) 6.930 4.482 ( 8.503 0.000 3.152) 9.068 4.501 ( 7.876 0.000 2.135) 8.160 4.562 ( 10.540 0.000 -2.745) 10.891 4.574 ( 6.757 0.000 -3.316) 7.527 4.831 ( 0.326 0.000 2.640) 2.660 4.879 ( 1.972 0.000 -1.642) 2.566 4.886 ( 0.647 0.000 5.643) 5.680 4.919 ( -0.745 0.000 1.754) 1.906 4.968 ( 0.525 0.000 1.425) 1.518 4.973 ( 0.414 0.000 1.218) 1.287 5.049 ( 2.659 0.000 -1.790) 3.205 5.112 ( 1.241 0.000 -6.850) 6.961 5.485 ( 0.773 0.000 1.972) 2.118 5.528 ( 1.918 0.000 -1.431) 2.393 5.532 ( 1.974 0.000 7.056) 7.327 5.624 ( 0.092 0.000 -0.759) 0.765 5.803 ( -0.679 0.000 9.449) 9.474 5.946 ( -4.326 0.000 -1.987) 4.761 5.957 ( -2.129 0.000 1.488) 2.598 6.057 ( 0.703 0.000 -9.887) 9.912 6.307 ( 0.548 0.000 -0.003) 0.548 6.368 ( -0.926 0.000 -3.882) 3.991 6.459 ( -2.440 0.000 3.562) 4.318 6.555 ( -3.218 0.000 -4.507) 5.538 6.769 ( -1.481 0.000 0.348) 1.521 6.783 ( -1.676 0.000 -0.977) 1.940 7.110 ( -0.323 0.000 1.233) 1.274 7.136 ( -0.659 0.000 -0.974) 1.176 7.154 ( -2.585 0.000 7.132) 7.586 7.282 ( -2.968 0.000 -1.887) 3.517 7.308 ( -2.854 0.000 -0.314) 2.871 7.356 ( -1.779 0.000 -7.753) 7.954 7.584 ( -4.376 0.000 0.416) 4.396 7.597 ( -5.577 0.000 -0.719) 5.623 7.743 ( -4.589 0.000 2.589) 5.269 7.797 ( -4.570 0.000 -2.432) 5.177 ======================= Grid point 137 (48/60) ======================= q-point: ( 0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( 5.429 0.000 8.159) 9.800 1.314 ( 3.408 0.000 6.315) 7.176 1.407 ( 2.650 0.000 3.391) 4.303 1.505 ( 3.372 0.000 -6.339) 7.180 1.527 ( 2.360 0.000 3.468) 4.195 1.615 ( 4.760 0.000 1.940) 5.140 1.634 ( -0.691 0.000 -4.364) 4.418 1.670 ( -3.731 0.000 1.810) 4.147 1.698 ( -2.529 0.000 -0.814) 2.657 1.773 ( 6.277 0.000 -8.584) 10.634 1.909 ( -6.729 0.000 1.849) 6.978 1.911 ( -9.158 0.000 2.543) 9.504 2.060 ( -8.064 0.000 -3.200) 8.676 2.088 ( -12.762 0.000 -4.512) 13.536 2.281 ( -6.008 0.000 3.816) 7.118 2.312 ( 3.426 0.000 16.621) 16.971 2.393 ( -5.004 0.000 -2.305) 5.509 2.509 ( -1.220 0.000 -0.067) 1.222 2.566 ( 0.231 0.000 -2.485) 2.495 2.584 ( 0.478 0.000 4.196) 4.223 2.614 ( 0.675 0.000 3.408) 3.474 2.648 ( -1.819 0.000 -10.456) 10.613 2.754 ( 0.054 0.000 -1.726) 1.727 2.797 ( -2.920 0.000 -3.360) 4.452 2.972 ( 6.081 0.000 2.697) 6.653 3.099 ( 9.021 0.000 -6.923) 11.372 3.278 ( 8.305 0.000 3.590) 9.047 3.312 ( 8.153 0.000 1.300) 8.256 3.372 ( 2.293 0.000 2.566) 3.441 3.379 ( 1.798 0.000 1.360) 2.254 3.483 ( 4.655 0.000 -0.534) 4.686 3.495 ( 3.481 0.000 -1.727) 3.886 4.411 ( 4.231 0.000 1.676) 4.551 4.451 ( 4.550 0.000 -1.227) 4.713 4.489 ( 4.444 0.000 -0.904) 4.535 4.490 ( 5.151 0.000 -0.407) 5.167 4.709 ( 5.857 0.000 1.496) 6.045 4.718 ( 4.480 0.000 1.075) 4.608 4.749 ( 9.955 0.000 2.293) 10.216 4.780 ( 4.209 0.000 0.099) 4.210 4.878 ( 8.684 0.000 4.575) 9.816 4.914 ( 5.506 0.000 2.819) 6.185 4.915 ( 3.098 0.000 3.401) 4.600 4.969 ( 2.446 0.000 -1.797) 3.035 5.041 ( 10.597 0.000 0.842) 10.630 5.050 ( 13.263 0.000 -1.075) 13.306 5.160 ( 4.933 0.000 -4.705) 6.817 5.161 ( 10.015 0.000 -4.455) 10.961 5.511 ( 2.024 0.000 3.380) 3.939 5.589 ( 4.679 0.000 -2.819) 5.462 5.594 ( 4.289 0.000 4.841) 6.468 5.620 ( -0.657 0.000 0.994) 1.192 5.789 ( -0.921 0.000 8.079) 8.132 5.844 ( -5.824 0.000 -0.134) 5.825 5.913 ( -1.437 0.000 3.577) 3.854 6.064 ( -0.026 0.000 -8.513) 8.513 6.329 ( 1.794 0.000 -2.415) 3.008 6.335 ( -2.703 0.000 -0.209) 2.712 6.404 ( -2.511 0.000 -1.344) 2.848 6.461 ( -6.361 0.000 -4.049) 7.540 6.717 ( -4.093 0.000 0.238) 4.100 6.725 ( -4.548 0.000 -0.595) 4.586 7.083 ( -3.437 0.000 0.681) 3.504 7.097 ( -4.308 0.000 -0.917) 4.405 7.100 ( -2.205 0.000 5.974) 6.368 7.221 ( -2.900 0.000 -3.501) 4.546 7.241 ( -3.967 0.000 1.460) 4.227 7.296 ( -4.204 0.000 -4.837) 6.409 7.461 ( -7.396 0.000 0.680) 7.427 7.487 ( -4.673 0.000 -1.991) 5.080 7.620 ( -7.578 0.000 2.447) 7.964 7.677 ( -7.311 0.000 -2.801) 7.829 ======================= Grid point 138 (49/60) ======================= q-point: ( 0.38 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 8.257 0.000 3.245) 8.872 1.399 ( 5.525 0.000 3.892) 6.758 1.478 ( 4.445 0.000 3.320) 5.548 1.551 ( 1.503 0.000 1.238) 1.947 1.579 ( 2.032 0.000 -3.046) 3.662 1.595 ( -2.505 0.000 -0.530) 2.561 1.614 ( -3.263 0.000 -0.658) 3.328 1.615 ( 0.527 0.000 -4.725) 4.754 1.714 ( -8.257 0.000 4.580) 9.442 1.755 ( -8.523 0.000 0.576) 8.542 1.789 ( 4.917 0.000 2.100) 5.346 1.849 ( -3.849 0.000 -5.604) 6.798 1.857 ( -8.588 0.000 0.047) 8.589 1.975 ( 3.884 0.000 -7.302) 8.271 2.145 ( -7.818 0.000 4.355) 8.949 2.259 ( -7.828 0.000 -5.907) 9.807 2.399 ( 5.272 0.000 8.750) 10.216 2.515 ( 1.428 0.000 3.824) 4.082 2.561 ( -0.282 0.000 0.131) 0.311 2.592 ( -1.074 0.000 -8.004) 8.076 2.625 ( -0.301 0.000 3.831) 3.843 2.644 ( 2.241 0.000 -1.559) 2.730 2.700 ( -6.028 0.000 -2.543) 6.543 2.739 ( -1.523 0.000 -3.169) 3.516 3.121 ( 8.331 0.000 6.859) 10.791 3.252 ( 6.674 0.000 -4.888) 8.272 3.351 ( -2.359 0.000 3.551) 4.263 3.392 ( -0.278 0.000 -0.235) 0.364 3.436 ( 6.820 0.000 4.032) 7.923 3.476 ( 6.115 0.000 1.373) 6.267 3.546 ( 1.483 0.000 0.719) 1.648 3.554 ( 1.983 0.000 -0.046) 1.983 4.501 ( 5.041 0.000 1.419) 5.237 4.537 ( 4.456 0.000 -1.094) 4.588 4.572 ( 4.056 0.000 -0.580) 4.097 4.589 ( 4.937 0.000 -0.946) 5.027 4.699 ( -3.671 0.000 1.737) 4.061 4.723 ( -2.052 0.000 0.396) 2.090 4.763 ( -3.024 0.000 0.959) 3.172 4.765 ( -3.052 0.000 1.264) 3.304 4.977 ( 2.662 0.000 2.082) 3.379 4.986 ( 2.465 0.000 2.917) 3.819 5.011 ( 2.244 0.000 -0.954) 2.438 5.044 ( 2.476 0.000 -1.730) 3.021 5.352 ( 13.288 0.000 1.070) 13.331 5.373 ( 13.933 0.000 0.467) 13.941 5.385 ( 10.783 0.000 -1.337) 10.866 5.415 ( 18.996 0.000 -2.357) 19.141 5.582 ( 5.773 0.000 4.243) 7.164 5.598 ( -1.367 0.000 2.155) 2.552 5.667 ( 2.192 0.000 3.676) 4.280 5.721 ( 2.746 0.000 4.444) 5.224 5.754 ( 4.296 0.000 -1.637) 4.597 5.755 ( -1.477 0.000 3.049) 3.388 5.966 ( 7.591 0.000 3.229) 8.249 6.051 ( -1.712 0.000 -4.502) 4.817 6.285 ( -1.466 0.000 -2.362) 2.779 6.301 ( -8.335 0.000 -2.731) 8.771 6.365 ( -2.479 0.000 -1.662) 2.984 6.384 ( 0.883 0.000 -3.958) 4.055 6.611 ( -5.454 0.000 0.098) 5.455 6.625 ( -3.320 0.000 -1.163) 3.518 6.930 ( -12.578 0.000 -0.523) 12.589 6.947 ( -11.200 0.000 -2.052) 11.387 7.076 ( 0.032 0.000 5.280) 5.280 7.162 ( -3.800 0.000 2.588) 4.598 7.183 ( -0.814 0.000 -3.900) 3.984 7.225 ( -2.637 0.000 -3.722) 4.562 7.365 ( -1.842 0.000 2.503) 3.108 7.432 ( -0.921 0.000 -3.945) 4.051 7.475 ( -6.730 0.000 2.416) 7.151 7.538 ( -6.352 0.000 -3.450) 7.229 ======================= Grid point 139 (50/60) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( -7.808 0.000 4.090) 8.814 1.531 ( 7.808 0.000 4.090) 8.814 1.549 ( -2.843 0.000 0.954) 2.999 1.549 ( 2.843 0.000 0.954) 2.999 1.561 ( -6.893 0.000 0.802) 6.939 1.561 ( 6.892 0.000 0.802) 6.939 1.571 ( -2.424 0.000 -1.052) 2.643 1.571 ( 2.424 0.000 -1.052) 2.643 1.656 ( -7.432 0.000 -0.543) 7.452 1.656 ( 7.432 0.000 -0.543) 7.452 1.726 ( -6.444 0.000 -6.596) 9.222 1.726 ( 6.444 0.000 -6.596) 9.222 1.980 ( -9.162 0.000 5.542) 10.708 1.980 ( 9.162 0.000 5.542) 10.708 2.108 ( -7.659 0.000 -5.716) 9.557 2.108 ( 7.659 0.000 -5.716) 9.557 2.503 ( -4.240 0.000 2.339) 4.842 2.503 ( 4.240 0.000 2.339) 4.842 2.567 ( -0.948 0.000 -3.807) 3.923 2.567 ( 0.948 0.000 -3.807) 3.923 2.619 ( -1.056 0.000 3.577) 3.729 2.619 ( 1.056 0.000 3.577) 3.729 2.697 ( -2.656 0.000 -2.916) 3.944 2.697 ( 2.656 0.000 -2.916) 3.944 3.266 ( -6.212 0.000 5.673) 8.412 3.266 ( 6.212 0.000 5.673) 8.412 3.353 ( -3.651 0.000 -2.257) 4.293 3.353 ( 3.651 0.000 -2.257) 4.293 3.533 ( -2.874 0.000 2.464) 3.786 3.533 ( 2.874 0.000 2.464) 3.786 3.556 ( -1.977 0.000 0.864) 2.158 3.556 ( 1.977 0.000 0.864) 2.158 4.601 ( -4.943 0.000 0.559) 4.975 4.601 ( 4.943 0.000 0.559) 4.975 4.610 ( -1.862 0.000 -0.370) 1.898 4.610 ( 1.862 0.000 -0.370) 1.898 4.690 ( -4.300 0.000 0.954) 4.404 4.690 ( 4.300 0.000 0.954) 4.404 4.703 ( -1.921 0.000 -0.052) 1.922 4.703 ( 1.921 0.000 -0.052) 1.922 5.006 ( -0.300 0.000 2.074) 2.096 5.006 ( 0.300 0.000 2.074) 2.096 5.048 ( -1.268 0.000 -1.471) 1.942 5.048 ( 1.268 0.000 -1.471) 1.942 5.502 ( -2.448 0.000 -0.115) 2.451 5.502 ( 2.448 0.000 -0.115) 2.451 5.524 ( -4.522 0.000 -1.440) 4.746 5.524 ( 4.522 0.000 -1.440) 4.746 5.627 ( -5.795 0.000 6.468) 8.684 5.627 ( 5.795 0.000 6.468) 8.684 5.672 ( -4.970 0.000 3.842) 6.282 5.672 ( 4.970 0.000 3.842) 6.282 5.924 ( -13.416 0.000 1.734) 13.528 5.924 ( 13.416 0.000 1.734) 13.528 6.003 ( -11.489 0.000 -3.382) 11.977 6.003 ( 11.489 0.000 -3.382) 11.977 6.266 ( -10.062 0.000 -0.030) 10.062 6.266 ( 10.062 0.000 -0.030) 10.062 6.295 ( -2.720 0.000 -2.523) 3.710 6.295 ( 2.720 0.000 -2.523) 3.710 6.677 ( -11.279 0.000 -0.996) 11.323 6.677 ( 11.279 0.000 -0.996) 11.323 6.705 ( -11.125 0.000 -3.348) 11.618 6.705 ( 11.125 0.000 -3.348) 11.618 7.101 ( -2.377 0.000 3.955) 4.615 7.101 ( 2.377 0.000 3.955) 4.615 7.189 ( -1.214 0.000 -3.910) 4.095 7.189 ( 1.214 0.000 -3.910) 4.095 7.379 ( -2.976 0.000 2.614) 3.961 7.379 ( 2.976 0.000 2.614) 3.961 7.449 ( -2.730 0.000 -3.970) 4.818 7.449 ( 2.730 0.000 -3.970) 4.818 ======================= Grid point 144 (51/60) ======================= q-point: ( 0.00 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 0.000 2.014 14.401) 14.541 1.226 ( 0.000 -1.645 14.965) 15.055 1.324 ( 0.000 -0.351 9.487) 9.493 1.425 ( 0.000 -4.631 5.983) 7.565 1.429 ( 0.000 0.401 -10.507) 10.515 1.540 ( 0.000 -1.924 -5.387) 5.720 1.561 ( 0.000 5.165 -11.898) 12.970 1.689 ( 0.000 0.413 -8.702) 8.712 1.820 ( 0.000 4.640 0.539) 4.671 1.830 ( 0.000 4.879 -0.686) 4.927 2.005 ( 0.000 -2.847 2.558) 3.827 2.061 ( 0.000 -5.412 -2.297) 5.880 2.269 ( 0.000 -0.212 7.829) 7.832 2.295 ( 0.000 4.209 16.340) 16.873 2.373 ( 0.000 -2.744 7.697) 8.172 2.432 ( 0.000 0.195 6.320) 6.323 2.439 ( 0.000 0.993 -1.624) 1.903 2.502 ( 0.000 -5.028 4.230) 6.570 2.577 ( 0.000 0.521 11.280) 11.292 2.662 ( 0.000 -2.718 3.371) 4.330 2.718 ( 0.000 0.395 -8.677) 8.686 2.721 ( 0.000 4.003 3.259) 5.162 2.747 ( 0.000 4.055 -5.919) 7.174 2.754 ( 0.000 1.743 -11.226) 11.360 2.867 ( 0.000 1.755 -13.845) 13.956 2.903 ( 0.000 1.443 -11.003) 11.097 3.011 ( 0.000 -4.031 1.182) 4.200 3.048 ( 0.000 -2.231 -0.439) 2.273 3.306 ( 0.000 0.394 1.822) 1.864 3.330 ( 0.000 1.109 -0.319) 1.154 3.342 ( 0.000 -0.568 1.064) 1.206 3.391 ( 0.000 -1.997 -3.059) 3.654 4.221 ( 0.000 0.362 3.749) 3.766 4.235 ( 0.000 -0.237 3.989) 3.996 4.279 ( 0.000 0.491 -1.521) 1.599 4.294 ( 0.000 -0.070 -1.218) 1.220 4.422 ( 0.000 -0.031 1.744) 1.744 4.434 ( 0.000 -0.580 2.150) 2.226 4.474 ( 0.000 0.734 -2.843) 2.936 4.510 ( 0.000 -0.704 -4.605) 4.659 4.795 ( 0.000 -1.632 2.603) 3.072 4.833 ( 0.000 -3.054 5.637) 6.411 4.839 ( 0.000 -0.577 -1.146) 1.283 4.910 ( 0.000 -2.577 -0.377) 2.605 5.009 ( 0.000 3.443 2.906) 4.505 5.042 ( 0.000 1.505 1.277) 1.974 5.056 ( 0.000 5.386 -0.793) 5.444 5.127 ( 0.000 1.627 -5.675) 5.904 5.470 ( 0.000 -0.240 3.284) 3.293 5.502 ( 0.000 -1.086 7.279) 7.359 5.538 ( 0.000 2.211 -2.084) 3.038 5.614 ( 0.000 -0.938 -1.691) 1.934 5.817 ( 0.000 0.733 8.954) 8.984 5.914 ( 0.000 -3.832 4.341) 5.791 6.030 ( 0.000 1.064 -5.557) 5.658 6.042 ( 0.000 -0.164 -10.790) 10.791 6.335 ( 0.000 3.106 2.118) 3.759 6.419 ( 0.000 3.801 -4.710) 6.053 6.463 ( 0.000 -1.984 4.523) 4.939 6.564 ( 0.000 -2.170 -4.544) 5.035 6.793 ( 0.000 1.510 0.565) 1.612 6.812 ( 0.000 1.744 -1.195) 2.114 7.020 ( 0.000 -7.302 0.236) 7.306 7.026 ( 0.000 -9.030 -0.196) 9.032 7.207 ( 0.000 2.339 7.003) 7.383 7.293 ( 0.000 -1.107 4.055) 4.204 7.382 ( 0.000 1.000 -9.254) 9.307 7.390 ( 0.000 1.804 -5.012) 5.327 7.664 ( 0.000 3.088 1.997) 3.677 7.708 ( 0.000 4.287 -2.132) 4.787 7.773 ( 0.000 -1.508 2.769) 3.153 7.829 ( 0.000 -1.366 -2.465) 2.818 ======================= Grid point 145 (52/60) ======================= q-point: ( 0.12 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 3.233 2.190 12.430) 13.029 1.265 ( 3.490 -0.377 13.103) 13.565 1.341 ( 1.850 -0.530 8.865) 9.071 1.439 ( 1.477 -2.970 1.569) 3.669 1.467 ( 3.180 -0.809 -3.007) 4.451 1.538 ( 0.972 0.795 -9.912) 9.991 1.589 ( 1.301 -0.202 -6.879) 7.004 1.692 ( 0.606 -0.197 -8.430) 8.454 1.792 ( -2.824 4.570 1.027) 5.469 1.815 ( -1.449 4.744 -1.626) 5.220 1.978 ( -3.014 -2.922 1.922) 4.617 2.015 ( -4.608 -4.466 -1.272) 6.542 2.207 ( -5.722 0.935 4.432) 7.298 2.279 ( -1.032 1.855 13.905) 14.066 2.330 ( -5.141 -0.427 1.543) 5.384 2.376 ( -5.648 0.753 7.135) 9.131 2.458 ( 2.342 0.673 5.253) 5.791 2.489 ( -1.474 -3.128 0.720) 3.533 2.574 ( -6.065 1.024 -3.393) 7.025 2.598 ( 1.139 1.882 7.540) 7.854 2.664 ( -3.491 -2.113 -5.833) 7.119 2.705 ( -1.198 0.561 -1.423) 1.942 2.741 ( 0.919 1.716 -2.752) 3.371 2.802 ( 0.900 0.675 -4.941) 5.068 2.911 ( 2.996 1.252 -7.119) 7.825 2.953 ( 7.222 3.223 -7.788) 11.099 3.080 ( 5.696 -4.386 0.588) 7.213 3.122 ( 6.679 -2.943 -0.864) 7.350 3.331 ( 2.406 0.795 3.040) 3.958 3.358 ( 2.883 1.222 0.350) 3.151 3.387 ( 4.067 -0.324 -0.186) 4.085 3.422 ( 2.890 -1.231 -2.735) 4.166 4.334 ( 6.151 0.725 1.677) 6.416 4.338 ( 9.039 0.531 1.473) 9.173 4.369 ( 8.071 0.192 0.818) 8.115 4.384 ( 6.805 -0.344 -0.504) 6.832 4.482 ( 8.494 0.095 3.009) 9.012 4.499 ( 7.780 -0.364 2.038) 8.051 4.553 ( 9.079 -0.493 -2.558) 9.445 4.567 ( 6.959 -0.713 -3.427) 7.790 4.803 ( 0.937 -1.447 2.893) 3.368 4.839 ( 0.661 -2.688 4.916) 5.642 4.858 ( 2.367 -0.684 -1.613) 2.944 4.914 ( 0.593 -1.659 -0.593) 1.860 5.011 ( 0.347 3.329 2.470) 4.159 5.048 ( 0.479 2.478 0.492) 2.571 5.061 ( 1.056 3.470 -0.981) 3.757 5.133 ( 0.719 1.237 -5.646) 5.825 5.481 ( 1.185 -0.038 3.411) 3.611 5.517 ( 1.490 -1.119 6.582) 6.841 5.554 ( 1.793 1.858 -1.758) 3.124 5.617 ( 0.249 -0.790 -1.081) 1.361 5.808 ( -0.743 0.630 9.078) 9.131 5.890 ( -2.342 -3.260 4.404) 5.959 5.995 ( -2.880 1.776 -5.454) 6.418 6.051 ( 0.191 -0.765 -9.823) 9.855 6.331 ( -0.294 2.277 1.246) 2.612 6.399 ( -2.021 2.507 -2.462) 4.053 6.443 ( -2.021 -1.261 2.036) 3.134 6.534 ( -3.122 -2.093 -4.489) 5.855 6.783 ( -1.180 1.778 0.539) 2.201 6.800 ( -1.360 2.034 -1.070) 2.671 7.015 ( -1.183 -8.706 0.088) 8.787 7.016 ( -0.666 -7.416 -0.082) 7.446 7.188 ( -1.813 2.550 6.619) 7.321 7.276 ( -1.555 -0.697 3.472) 3.867 7.352 ( -2.722 1.662 -6.967) 7.662 7.371 ( -2.052 1.195 -5.737) 6.209 7.617 ( -4.724 2.953 1.520) 5.774 7.653 ( -5.448 4.434 -1.791) 7.249 7.727 ( -4.676 -1.590 2.619) 5.591 7.782 ( -4.717 -1.517 -2.503) 5.551 ======================= Grid point 146 (53/60) ======================= q-point: ( 0.25 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 5.064 2.292 8.133) 9.852 1.338 ( 3.786 1.921 7.287) 8.433 1.399 ( 3.945 -0.434 7.174) 8.199 1.466 ( 1.571 -3.257 3.828) 5.265 1.556 ( 5.489 1.057 -4.697) 7.301 1.566 ( 0.447 -2.949 -4.405) 5.320 1.588 ( 0.413 -1.311 -1.924) 2.365 1.716 ( -3.360 2.335 -0.767) 4.163 1.741 ( 1.837 1.493 -3.713) 4.403 1.783 ( -0.790 1.840 -5.437) 5.794 1.884 ( -6.224 -1.940 1.418) 6.672 1.900 ( -6.613 -1.922 -0.478) 6.903 2.072 ( -7.863 2.299 0.119) 8.193 2.133 ( -11.399 4.450 -4.337) 12.982 2.252 ( -6.244 -3.084 3.801) 7.934 2.319 ( 0.061 -0.605 9.883) 9.901 2.399 ( -5.444 0.270 0.849) 5.516 2.470 ( -0.317 -2.658 3.950) 4.771 2.549 ( 2.686 -0.223 -1.109) 2.915 2.591 ( -1.286 -0.069 -1.913) 2.306 2.647 ( 0.318 1.320 -0.774) 1.563 2.663 ( -2.133 2.231 -0.537) 3.133 2.760 ( -0.265 0.596 -2.672) 2.751 2.785 ( -2.599 -0.980 -4.505) 5.293 3.001 ( 6.785 2.798 3.466) 8.117 3.125 ( 9.282 2.160 -5.124) 10.820 3.215 ( 8.137 -4.984 2.570) 9.882 3.276 ( 8.139 -2.998 -0.880) 8.719 3.383 ( 2.512 1.503 3.444) 4.520 3.419 ( 2.580 2.436 0.513) 3.586 3.466 ( 3.757 -1.686 0.039) 4.118 3.493 ( 3.855 -0.372 -1.338) 4.097 4.425 ( 4.290 1.255 1.667) 4.770 4.459 ( 4.687 0.480 -0.242) 4.718 4.485 ( 4.599 -0.025 -1.382) 4.802 4.495 ( 4.879 0.158 -1.221) 5.032 4.698 ( 5.536 -0.737 2.056) 5.952 4.706 ( 3.866 -0.916 1.501) 4.247 4.729 ( 8.049 -1.407 1.380) 8.287 4.753 ( 5.179 -2.183 -0.094) 5.621 4.886 ( 10.237 0.513 4.716) 11.282 4.898 ( 9.270 -0.295 4.670) 10.384 4.948 ( 4.162 1.559 0.509) 4.473 4.970 ( 6.150 0.134 -1.236) 6.274 5.061 ( 8.316 1.758 0.693) 8.528 5.091 ( 7.730 2.749 -1.107) 8.279 5.138 ( 7.901 -0.668 -3.471) 8.656 5.176 ( 5.800 0.326 -5.253) 7.832 5.514 ( 2.210 0.391 4.020) 4.604 5.563 ( 3.321 -1.726 4.889) 6.157 5.608 ( 3.045 0.718 -3.557) 4.737 5.624 ( 1.198 0.192 1.030) 1.592 5.793 ( -1.006 0.428 8.006) 8.080 5.837 ( -2.377 -1.042 5.720) 6.282 5.930 ( -3.110 2.150 -1.991) 4.273 6.047 ( -0.542 -1.871 -8.521) 8.741 6.332 ( 0.480 0.384 -1.439) 1.565 6.344 ( -3.121 0.626 0.657) 3.250 6.395 ( -2.675 -0.433 -2.617) 3.768 6.445 ( -5.962 -1.553 -4.107) 7.404 6.739 ( -3.613 2.403 0.454) 4.363 6.750 ( -4.068 2.687 -0.667) 4.921 6.968 ( -3.989 -7.985 0.611) 8.947 6.983 ( -3.356 -7.436 -0.945) 8.213 7.150 ( -1.800 2.886 5.660) 6.603 7.244 ( -1.505 0.111 1.966) 2.478 7.293 ( -3.005 1.810 -5.221) 6.291 7.310 ( -4.365 1.950 -3.046) 5.669 7.500 ( -6.539 2.114 -0.184) 6.874 7.517 ( -7.538 4.223 -1.473) 8.765 7.603 ( -7.673 -1.761 2.362) 8.219 7.659 ( -7.500 -1.847 -2.810) 8.219 ======================= Grid point 147 (54/60) ======================= q-point: ( 0.38 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 7.320 1.140 3.632) 8.251 1.415 ( 4.499 1.305 3.406) 5.792 1.480 ( 3.790 -0.657 4.976) 6.290 1.516 ( 2.994 -2.346 2.107) 4.348 1.540 ( 0.277 -0.786 -1.024) 1.321 1.603 ( -1.339 1.805 -0.888) 2.417 1.625 ( -1.239 0.073 1.481) 1.933 1.690 ( -5.963 1.410 -1.446) 6.296 1.719 ( 3.311 2.669 -2.894) 5.143 1.746 ( -4.068 -1.376 -1.301) 4.487 1.759 ( -1.327 -1.945 3.656) 4.348 1.870 ( -6.409 3.031 -1.358) 7.218 1.921 ( -2.415 2.713 -7.380) 8.225 1.952 ( -2.652 0.591 -6.112) 6.689 2.102 ( -8.765 -4.221 3.077) 10.203 2.221 ( -7.347 -4.356 -7.049) 11.075 2.410 ( 4.076 1.615 9.042) 10.049 2.502 ( 2.788 -1.472 5.137) 6.027 2.566 ( -1.878 0.798 0.287) 2.061 2.587 ( -0.361 0.064 -4.191) 4.207 2.629 ( 0.243 0.095 -0.278) 0.381 2.651 ( 0.361 0.360 0.482) 0.702 2.699 ( -4.459 0.247 -2.898) 5.324 2.746 ( -2.038 -0.129 -3.157) 3.760 3.158 ( 8.459 3.642 6.563) 11.309 3.283 ( 6.806 2.852 -4.188) 8.485 3.361 ( 1.700 -0.229 3.204) 3.635 3.377 ( 4.589 -3.013 3.072) 6.290 3.432 ( 1.614 1.914 1.065) 2.721 3.460 ( 3.679 -0.692 0.639) 3.798 3.524 ( 1.703 -2.680 0.955) 3.316 3.543 ( 1.071 -0.943 -0.021) 1.427 4.513 ( 4.866 1.179 1.520) 5.232 4.548 ( 4.523 0.668 -0.070) 4.572 4.569 ( 4.122 -0.035 -1.448) 4.369 4.589 ( 4.708 -0.041 -1.526) 4.949 4.697 ( -2.945 -0.142 1.972) 3.547 4.714 ( -1.697 -0.575 1.624) 2.418 4.741 ( -2.409 -1.344 0.224) 2.767 4.763 ( -2.376 -0.966 -0.367) 2.591 4.990 ( 2.199 1.432 2.642) 3.723 5.002 ( 1.723 1.507 2.765) 3.589 5.026 ( 1.572 0.836 -0.385) 1.821 5.047 ( 1.975 0.100 -0.728) 2.108 5.351 ( 13.237 0.029 0.499) 13.247 5.369 ( 13.356 -0.192 -0.436) 13.365 5.384 ( 11.379 -0.192 -1.614) 11.495 5.396 ( 16.790 -1.566 -2.179) 17.003 5.583 ( 4.528 0.234 4.706) 6.535 5.603 ( 2.356 0.214 3.186) 3.969 5.657 ( -0.515 -0.696 1.489) 1.723 5.695 ( 7.715 -1.750 0.336) 7.919 5.764 ( -2.529 2.440 7.160) 7.976 5.815 ( 2.231 2.585 3.800) 5.109 5.957 ( 7.164 -0.261 -0.196) 7.172 6.037 ( -0.380 -1.609 -5.659) 5.895 6.293 ( -2.937 0.592 -2.169) 3.699 6.301 ( -5.939 0.297 -2.609) 6.494 6.342 ( -2.824 -1.910 -1.474) 3.714 6.364 ( 0.559 -1.752 -4.038) 4.438 6.641 ( -6.080 3.019 -0.102) 6.789 6.648 ( -4.501 2.339 -0.580) 5.105 6.842 ( -9.381 -6.340 0.012) 11.323 6.863 ( -9.256 -6.532 -2.050) 11.513 7.128 ( -0.247 3.621 4.750) 5.978 7.212 ( -4.742 3.770 1.278) 6.192 7.223 ( -0.650 1.401 -0.481) 1.617 7.245 ( -1.851 1.804 -3.663) 4.483 7.384 ( -4.073 2.292 0.103) 4.675 7.423 ( -2.199 -0.557 -3.298) 4.002 7.457 ( -6.499 -1.689 1.799) 6.951 7.517 ( -6.443 -2.107 -3.454) 7.608 ======================= Grid point 148 (55/60) ======================= q-point: (-0.50 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( -3.320 -1.273 3.569) 5.037 1.514 ( 3.320 -1.273 3.568) 5.037 1.520 ( -2.579 -1.115 3.964) 4.859 1.520 ( 2.579 -1.115 3.964) 4.859 1.575 ( -4.745 0.718 -1.299) 4.972 1.575 ( 4.745 0.718 -1.299) 4.972 1.589 ( -4.426 0.614 -2.924) 5.340 1.589 ( 4.426 0.614 -2.924) 5.340 1.685 ( -8.018 3.421 2.659) 9.114 1.685 ( 8.018 3.421 2.659) 9.114 1.804 ( -5.958 6.461 -7.386) 11.480 1.804 ( 5.958 6.461 -7.386) 11.480 1.915 ( -9.209 -5.418 5.302) 11.928 1.915 ( 9.209 -5.418 5.302) 11.928 2.078 ( -7.336 -3.808 -8.652) 11.966 2.078 ( 7.336 -3.808 -8.652) 11.966 2.499 ( -4.501 0.429 3.821) 5.920 2.499 ( 4.501 0.429 3.821) 5.920 2.557 ( -2.324 -0.383 0.979) 2.551 2.557 ( 2.324 -0.383 0.979) 2.551 2.636 ( -1.499 0.970 -0.181) 1.794 2.636 ( 1.499 0.970 -0.181) 1.794 2.696 ( -2.972 -0.633 -2.950) 4.235 2.696 ( 2.972 -0.633 -2.950) 4.235 3.300 ( -5.680 3.318 5.482) 8.563 3.300 ( 5.680 3.318 5.482) 8.563 3.384 ( -3.371 2.686 -2.089) 4.790 3.384 ( 3.371 2.686 -2.089) 4.790 3.495 ( -2.652 -3.208 3.571) 5.484 3.495 ( 2.652 -3.208 3.571) 5.484 3.539 ( -1.247 -1.995 -0.217) 2.363 3.539 ( 1.247 -1.995 -0.217) 2.363 4.605 ( -3.852 0.561 0.878) 3.990 4.605 ( 3.852 0.561 0.878) 3.990 4.619 ( -1.035 0.625 -0.213) 1.228 4.619 ( 1.035 0.625 -0.213) 1.228 4.679 ( -1.356 -0.535 0.794) 1.660 4.679 ( 1.356 -0.535 0.794) 1.660 4.703 ( -1.784 -0.473 -1.026) 2.112 4.703 ( 1.784 -0.473 -1.026) 2.112 5.015 ( -0.352 0.967 2.283) 2.504 5.015 ( 0.352 0.967 2.283) 2.504 5.050 ( -0.900 -0.028 -0.591) 1.077 5.050 ( 0.900 -0.028 -0.591) 1.077 5.490 ( -1.139 -0.594 -0.584) 1.411 5.490 ( 1.139 -0.594 -0.584) 1.411 5.516 ( -1.848 -1.062 -2.591) 3.355 5.516 ( 1.848 -1.062 -2.591) 3.355 5.639 ( -5.075 1.161 7.062) 8.773 5.639 ( 5.075 1.161 7.062) 8.773 5.674 ( -3.390 -0.043 5.049) 6.082 5.674 ( 3.390 -0.043 5.049) 6.082 5.934 ( -11.862 1.016 0.951) 11.943 5.934 ( 11.862 1.016 0.951) 11.943 5.992 ( -10.289 -1.154 -2.628) 10.682 5.992 ( 10.289 -1.154 -2.627) 10.682 6.275 ( -8.575 0.893 -0.925) 8.671 6.275 ( 8.575 0.893 -0.925) 8.671 6.299 ( -0.926 0.214 -2.816) 2.972 6.299 ( 0.926 0.214 -2.816) 2.972 6.648 ( -7.964 -2.060 -0.861) 8.272 6.648 ( 7.964 -2.060 -0.861) 8.272 6.669 ( -7.895 -2.834 -2.625) 8.790 6.669 ( 7.895 -2.834 -2.625) 8.790 7.146 ( -2.144 3.850 3.660) 5.728 7.146 ( 2.144 3.849 3.660) 5.728 7.221 ( -0.570 2.206 -2.793) 3.604 7.221 ( 0.570 2.206 -2.793) 3.604 7.367 ( -2.097 -0.756 1.487) 2.679 7.367 ( 2.097 -0.756 1.487) 2.679 7.429 ( -2.416 -1.920 -3.964) 5.024 7.429 ( 2.416 -1.920 -3.964) 5.024 ======================= Grid point 153 (56/60) ======================= q-point: ( 0.00 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 0.000 -1.330 12.778) 12.847 1.197 ( 0.000 1.330 12.778) 12.847 1.347 ( 0.000 -2.852 10.657) 11.032 1.347 ( 0.000 2.852 10.657) 11.032 1.475 ( 0.000 -3.711 -7.458) 8.330 1.475 ( 0.000 3.711 -7.458) 8.330 1.657 ( 0.000 -3.792 -12.198) 12.774 1.657 ( 0.000 3.792 -12.198) 12.774 1.923 ( 0.000 -5.091 0.803) 5.154 1.923 ( 0.000 5.091 0.803) 5.154 1.941 ( 0.000 -6.082 -1.218) 6.203 1.941 ( 0.000 6.082 -1.218) 6.203 2.308 ( 0.000 -3.376 7.871) 8.565 2.308 ( 0.000 3.376 7.871) 8.565 2.395 ( 0.000 -4.920 6.195) 7.911 2.395 ( 0.000 4.920 6.195) 7.911 2.445 ( 0.000 -0.051 9.084) 9.085 2.445 ( 0.000 0.051 9.084) 9.085 2.606 ( 0.000 -2.446 8.724) 9.061 2.606 ( 0.000 2.446 8.724) 9.061 2.724 ( 0.000 -0.387 -9.182) 9.190 2.724 ( 0.000 0.387 -9.182) 9.190 2.803 ( 0.000 -1.173 -9.869) 9.938 2.803 ( 0.000 1.173 -9.869) 9.938 2.913 ( 0.000 -5.287 -2.299) 5.765 2.913 ( 0.000 5.287 -2.299) 5.765 2.982 ( 0.000 -4.236 -5.949) 7.303 2.982 ( 0.000 4.236 -5.949) 7.303 3.323 ( 0.000 -1.188 1.397) 1.834 3.323 ( 0.000 1.188 1.397) 1.834 3.354 ( 0.000 -1.451 -1.025) 1.777 3.354 ( 0.000 1.451 -1.025) 1.777 4.229 ( 0.000 -0.401 3.914) 3.934 4.229 ( 0.000 0.401 3.914) 3.934 4.289 ( 0.000 -0.395 -1.478) 1.530 4.289 ( 0.000 0.395 -1.478) 1.530 4.424 ( 0.000 -0.313 2.092) 2.116 4.424 ( 0.000 0.313 2.092) 2.116 4.491 ( 0.000 -1.007 -3.912) 4.040 4.491 ( 0.000 1.007 -3.912) 4.040 4.789 ( 0.000 -1.104 4.111) 4.256 4.789 ( 0.000 1.104 4.111) 4.256 4.857 ( 0.000 -2.195 -1.542) 2.683 4.857 ( 0.000 2.195 -1.542) 2.683 5.055 ( 0.000 -0.777 2.826) 2.931 5.055 ( 0.000 0.777 2.826) 2.931 5.132 ( 0.000 -1.707 -3.480) 3.876 5.132 ( 0.000 1.707 -3.480) 3.876 5.478 ( 0.000 -1.079 6.005) 6.101 5.478 ( 0.000 1.079 6.005) 6.101 5.583 ( 0.000 -2.109 -2.239) 3.076 5.583 ( 0.000 2.109 -2.239) 3.076 5.848 ( 0.000 -2.571 7.218) 7.663 5.848 ( 0.000 2.571 7.218) 7.663 6.039 ( 0.000 -0.148 -9.247) 9.248 6.039 ( 0.000 0.148 -9.247) 9.248 6.407 ( 0.000 -3.591 3.797) 5.226 6.407 ( 0.000 3.591 3.797) 5.226 6.502 ( 0.000 -3.993 -4.561) 6.062 6.502 ( 0.000 3.993 -4.561) 6.062 6.865 ( 0.000 -6.153 0.794) 6.204 6.865 ( 0.000 6.153 0.794) 6.204 6.883 ( 0.000 -5.638 -1.030) 5.731 6.883 ( 0.000 5.638 -1.030) 5.731 7.258 ( 0.000 -2.389 5.823) 6.294 7.258 ( 0.000 2.389 5.823) 6.294 7.400 ( 0.000 -0.475 -7.433) 7.448 7.400 ( 0.000 0.475 -7.433) 7.448 7.729 ( 0.000 -2.965 2.732) 4.032 7.729 ( 0.000 2.965 2.732) 4.032 7.785 ( 0.000 -3.143 -2.613) 4.087 7.785 ( 0.000 3.143 -2.613) 4.087 ======================= Grid point 155 (57/60) ======================= q-point: ( 0.12 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 4.099 -1.837 11.941) 12.757 1.241 ( 4.099 1.837 11.941) 12.757 1.369 ( 1.945 -3.021 10.754) 11.338 1.369 ( 1.945 3.021 10.754) 11.338 1.493 ( 1.698 -3.144 -7.783) 8.565 1.493 ( 1.698 3.144 -7.783) 8.565 1.650 ( -0.531 -3.901 -11.327) 11.991 1.650 ( -0.531 3.901 -11.327) 11.991 1.893 ( -2.993 -4.160 0.833) 5.193 1.893 ( -2.993 4.160 0.833) 5.193 1.916 ( -2.526 -4.262 -1.555) 5.192 1.916 ( -2.526 4.262 -1.555) 5.192 2.261 ( -3.712 -3.637 8.014) 9.551 2.261 ( -3.712 3.637 8.014) 9.551 2.354 ( -3.844 -3.088 4.695) 6.808 2.354 ( -3.844 3.088 4.695) 6.808 2.464 ( -0.403 -0.194 5.475) 5.494 2.464 ( -0.403 0.194 5.475) 5.494 2.601 ( -3.885 -2.264 -1.965) 4.908 2.601 ( -3.885 2.264 -1.965) 4.908 2.669 ( 0.938 -3.180 2.167) 3.961 2.669 ( 0.938 3.180 2.167) 3.961 2.789 ( -0.958 -1.817 -7.474) 7.751 2.789 ( -0.958 1.817 -7.474) 7.751 2.970 ( 3.627 -3.789 -0.827) 5.310 2.970 ( 3.627 3.789 -0.827) 5.310 3.050 ( 6.961 -3.634 -6.172) 9.987 3.050 ( 6.961 3.634 -6.172) 9.987 3.352 ( 2.995 -1.260 2.373) 4.024 3.352 ( 2.995 1.260 2.373) 4.024 3.398 ( 3.786 -1.222 -1.508) 4.255 3.398 ( 3.786 1.222 -1.508) 4.255 4.344 ( 8.494 -0.088 2.096) 8.749 4.344 ( 8.494 0.088 2.096) 8.749 4.375 ( 6.918 -0.429 -0.314) 6.939 4.375 ( 6.918 0.429 -0.314) 6.939 4.488 ( 8.176 -0.542 2.451) 8.553 4.488 ( 8.176 0.542 2.451) 8.553 4.553 ( 7.303 -0.511 -3.029) 7.923 4.553 ( 7.303 0.511 -3.029) 7.923 4.799 ( 1.179 -1.074 4.164) 4.459 4.799 ( 1.179 1.074 4.164) 4.459 4.873 ( 2.037 -1.865 -2.294) 3.590 4.873 ( 2.037 1.865 -2.294) 3.590 5.056 ( 0.269 -0.904 2.549) 2.718 5.056 ( 0.269 0.904 2.549) 2.718 5.132 ( 0.153 -1.877 -3.715) 4.166 5.132 ( 0.153 1.877 -3.715) 4.166 5.492 ( 1.400 -1.096 5.833) 6.098 5.492 ( 1.400 1.096 5.833) 6.098 5.592 ( 0.923 -1.703 -2.008) 2.790 5.592 ( 0.923 1.703 -2.008) 2.790 5.834 ( -1.285 -2.140 7.560) 7.962 5.834 ( -1.285 2.140 7.560) 7.962 6.027 ( -1.270 -1.499 -8.868) 9.083 6.027 ( -1.270 1.499 -8.868) 9.083 6.385 ( -2.027 -2.806 3.304) 4.785 6.385 ( -2.027 2.806 3.304) 4.785 6.477 ( -2.487 -3.382 -4.580) 6.213 6.477 ( -2.487 3.382 -4.580) 6.213 6.855 ( -1.117 -4.447 1.102) 4.715 6.855 ( -1.117 4.447 1.102) 4.715 6.881 ( -0.477 -4.143 -1.392) 4.397 6.881 ( -0.477 4.143 -1.392) 4.397 7.242 ( -1.491 -2.528 5.562) 6.289 7.242 ( -1.491 2.528 5.562) 6.289 7.376 ( -2.297 -0.706 -6.898) 7.305 7.376 ( -2.297 0.706 -6.898) 7.305 7.681 ( -4.831 -3.032 2.493) 6.225 7.681 ( -4.831 3.032 2.493) 6.225 7.734 ( -5.090 -3.372 -2.509) 6.601 7.734 ( -5.090 3.372 -2.509) 6.601 ======================= Grid point 157 (58/60) ======================= q-point: ( 0.25 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 4.999 -2.742 9.132) 10.766 1.334 ( 4.999 2.742 9.132) 10.766 1.414 ( 2.807 -1.808 7.905) 8.581 1.414 ( 2.807 1.808 7.905) 8.581 1.528 ( 1.695 -0.744 -4.010) 4.417 1.528 ( 1.695 0.744 -4.010) 4.417 1.660 ( 1.980 -4.994 -8.764) 10.279 1.660 ( 1.980 4.994 -8.764) 10.279 1.813 ( -4.867 -3.016 1.253) 5.861 1.813 ( -4.867 3.016 1.253) 5.861 1.850 ( -3.963 -2.128 -3.289) 5.573 1.850 ( -3.963 2.128 -3.289) 5.573 2.159 ( -7.212 -5.523 2.897) 9.535 2.159 ( -7.212 5.523 2.897) 9.535 2.245 ( -7.817 -5.821 -2.316) 10.018 2.245 ( -7.817 5.821 -2.316) 10.018 2.424 ( -0.640 -2.016 7.722) 8.006 2.424 ( -0.640 2.016 7.722) 8.006 2.569 ( 0.738 -1.645 -3.222) 3.692 2.569 ( 0.738 1.645 -3.222) 3.692 2.680 ( -1.374 -1.109 2.149) 2.782 2.680 ( -1.374 1.109 2.149) 2.782 2.769 ( -1.622 -0.430 -5.030) 5.303 2.769 ( -1.622 0.430 -5.030) 5.303 3.083 ( 8.330 -5.326 5.003) 11.080 3.083 ( 8.330 5.326 5.003) 11.080 3.208 ( 8.536 -3.604 -5.244) 10.646 3.208 ( 8.536 3.604 -5.244) 10.646 3.420 ( 3.341 -2.025 3.112) 4.995 3.420 ( 3.341 2.025 3.112) 4.995 3.470 ( 3.059 -1.837 -1.243) 3.779 3.470 ( 3.059 1.837 -1.243) 3.779 4.451 ( 4.463 -1.170 1.368) 4.812 4.451 ( 4.463 1.170 1.368) 4.812 4.493 ( 4.837 -0.458 -2.141) 5.310 4.493 ( 4.837 0.458 -2.141) 5.310 4.693 ( 5.046 -0.303 2.446) 5.615 4.693 ( 5.046 0.303 2.446) 5.615 4.719 ( 5.467 -0.816 0.070) 5.528 4.719 ( 5.467 0.816 0.070) 5.528 4.894 ( 11.896 -0.275 4.863) 12.854 4.894 ( 11.896 0.275 4.863) 12.854 4.968 ( 6.492 -0.505 -1.165) 6.615 4.968 ( 6.492 0.505 -1.165) 6.615 5.095 ( 6.395 -1.423 0.615) 6.580 5.095 ( 6.395 1.423 0.615) 6.580 5.164 ( 5.340 -1.716 -4.767) 7.361 5.164 ( 5.340 1.716 -4.767) 7.361 5.530 ( 2.515 -1.362 5.182) 5.919 5.530 ( 2.515 1.362 5.182) 5.919 5.621 ( 2.041 -0.542 -2.001) 2.910 5.621 ( 2.041 0.542 -2.001) 2.910 5.810 ( -0.709 -1.325 8.625) 8.755 5.810 ( -0.709 1.325 8.625) 8.755 5.991 ( -2.189 -3.481 -6.830) 7.972 5.991 ( -2.189 3.481 -6.830) 7.972 6.343 ( -1.851 -0.613 0.724) 2.081 6.343 ( -1.851 0.613 0.724) 2.081 6.409 ( -4.504 -1.713 -4.250) 6.425 6.409 ( -4.504 1.713 -4.250) 6.425 6.812 ( -3.625 -2.665 1.615) 4.780 6.812 ( -3.625 2.665 1.615) 4.780 6.851 ( -3.064 -2.876 -2.037) 4.670 6.851 ( -3.064 2.876 -2.037) 4.670 7.210 ( -1.431 -2.836 4.836) 5.786 7.210 ( -1.431 2.836 4.836) 5.786 7.322 ( -3.006 -0.872 -5.332) 6.183 7.322 ( -3.006 0.872 -5.332) 6.183 7.554 ( -7.651 -2.965 1.791) 8.399 7.554 ( -7.651 2.965 1.791) 8.399 7.603 ( -7.870 -3.782 -2.593) 9.108 7.603 ( -7.870 3.782 -2.593) 9.108 ======================= Grid point 159 (59/60) ======================= q-point: ( 0.38 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 4.698 -1.138 4.615) 6.683 1.427 ( 4.698 1.138 4.615) 6.683 1.468 ( 2.901 -1.303 1.811) 3.660 1.468 ( 2.901 1.303 1.811) 3.660 1.580 ( 2.225 -3.215 3.984) 5.582 1.580 ( 2.225 3.215 3.984) 5.582 1.662 ( -1.267 -3.413 0.193) 3.646 1.662 ( -1.267 3.413 0.193) 3.646 1.724 ( -5.018 -1.705 0.024) 5.300 1.724 ( -5.018 1.705 0.024) 5.300 1.831 ( 4.190 -5.533 -9.883) 12.076 1.831 ( 4.190 5.533 -9.883) 12.076 1.984 ( -10.146 -5.781 2.169) 11.877 1.984 ( -10.146 5.781 2.169) 11.877 2.094 ( -7.232 -7.491 -7.318) 12.727 2.094 ( -7.232 7.491 -7.318) 12.727 2.458 ( 3.337 -2.728 7.732) 8.852 2.458 ( 3.337 2.728 7.732) 8.852 2.587 ( -0.299 -0.724 -1.621) 1.801 2.587 ( -0.299 0.724 -1.621) 1.801 2.640 ( -1.228 -1.244 1.069) 2.049 2.640 ( -1.228 1.244 1.069) 2.049 2.722 ( -2.953 -1.897 -4.012) 5.330 2.722 ( -2.953 1.897 -4.012) 5.330 3.256 ( 8.491 -5.825 5.910) 11.873 3.256 ( 8.491 5.825 5.910) 11.873 3.354 ( 5.857 -2.912 -2.292) 6.931 3.354 ( 5.857 2.912 -2.292) 6.931 3.462 ( 0.769 -2.647 2.702) 3.860 3.462 ( 0.769 2.647 2.702) 3.860 3.503 ( 0.216 -2.895 -0.585) 2.961 3.503 ( 0.216 2.895 -0.585) 2.961 4.539 ( 4.583 -1.224 1.466) 4.965 4.539 ( 4.583 1.224 1.466) 4.965 4.582 ( 4.456 -0.746 -2.436) 5.133 4.582 ( 4.456 0.746 -2.436) 5.133 4.700 ( -2.057 -0.646 2.535) 3.328 4.700 ( -2.057 0.646 2.535) 3.328 4.737 ( -1.662 -1.076 -1.011) 2.223 4.737 ( -1.662 1.076 -1.011) 2.223 5.019 ( 1.438 -0.558 2.449) 2.894 5.019 ( 1.438 0.558 2.449) 2.894 5.038 ( 1.235 -0.803 0.565) 1.578 5.038 ( 1.235 0.803 0.565) 1.578 5.360 ( 14.437 -0.885 -0.483) 14.472 5.360 ( 14.437 0.885 -0.483) 14.472 5.378 ( 11.957 -0.265 -2.307) 12.180 5.378 ( 11.957 0.265 -2.307) 12.180 5.594 ( 4.061 -0.840 5.190) 6.643 5.594 ( 4.061 0.840 5.190) 6.643 5.663 ( 2.903 -1.300 -0.531) 3.225 5.663 ( 2.903 1.300 -0.531) 3.225 5.817 ( 1.073 -2.163 9.472) 9.775 5.817 ( 1.073 2.163 9.472) 9.775 5.987 ( 3.482 -2.946 -6.654) 8.067 5.987 ( 3.482 2.946 -6.654) 8.067 6.304 ( -5.067 -0.811 -1.086) 5.245 6.304 ( -5.067 0.811 -1.086) 5.245 6.329 ( -0.556 -1.443 -3.741) 4.048 6.329 ( -0.556 1.443 -3.741) 4.048 6.708 ( -6.644 -0.972 1.202) 6.822 6.708 ( -6.644 0.972 1.202) 6.822 6.747 ( -7.546 -1.789 -2.378) 8.112 6.747 ( -7.546 1.789 -2.378) 8.112 7.197 ( 0.230 -2.987 3.711) 4.769 7.197 ( 0.230 2.987 3.711) 4.769 7.267 ( -2.639 -0.894 -2.002) 3.431 7.267 ( -2.639 0.894 -2.002) 3.431 7.420 ( -5.134 -1.539 -0.243) 5.365 7.420 ( -5.134 1.539 -0.243) 5.365 7.458 ( -6.299 -3.589 -3.076) 7.875 7.458 ( -6.299 3.589 -3.076) 7.875 ======================= Grid point 161 (60/60) ======================= q-point: (-0.50 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 8.55e-05 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( -2.990 -0.185 4.619) 5.505 1.505 ( -2.971 0.070 4.619) 5.492 1.505 ( 2.971 -0.070 4.619) 5.492 1.505 ( 2.990 0.185 4.619) 5.505 1.588 ( -5.373 -0.503 -3.149) 6.248 1.588 ( -5.372 0.500 -3.149) 6.247 1.588 ( 5.372 -0.500 -3.149) 6.247 1.588 ( 5.373 0.503 -3.149) 6.248 1.786 ( -8.729 -6.197 5.502) 12.036 1.786 ( 7.874 -5.904 5.502) 11.275 1.786 ( -7.874 5.904 5.502) 11.275 1.786 ( 8.729 6.197 5.502) 12.036 1.958 ( -6.783 -7.538 -10.105) 14.315 1.958 ( 6.580 -7.492 -10.105) 14.196 1.958 ( -6.580 7.492 -10.105) 14.196 1.958 ( 6.783 7.538 -10.105) 14.315 2.532 ( -3.955 -2.233 4.708) 6.542 2.532 ( 3.931 -2.223 4.708) 6.524 2.532 ( -3.931 2.223 4.708) 6.524 2.532 ( 3.955 2.233 4.708) 6.542 2.666 ( -2.648 -2.052 -3.055) 4.534 2.666 ( 2.406 -1.977 -3.055) 4.362 2.666 ( -2.406 1.977 -3.055) 4.362 2.666 ( 2.648 2.052 -3.055) 4.534 3.382 ( -3.677 -4.118 4.020) 6.829 3.382 ( 3.568 -4.094 4.020) 6.757 3.382 ( -3.568 4.094 4.020) 6.757 3.382 ( 3.677 4.118 4.020) 6.829 3.482 ( -1.919 -3.052 -0.602) 3.655 3.482 ( 1.728 -3.023 -0.602) 3.534 3.482 ( -1.728 3.023 -0.602) 3.534 3.482 ( 1.919 3.052 -0.602) 3.655 4.619 ( -2.918 -0.617 0.972) 3.137 4.619 ( -2.918 0.617 0.972) 3.137 4.619 ( 2.918 -0.617 0.972) 3.137 4.619 ( 2.918 0.617 0.972) 3.137 4.685 ( -2.600 -0.861 -1.039) 2.929 4.685 ( -1.999 -0.223 -1.039) 2.263 4.685 ( 1.999 0.223 -1.039) 2.263 4.685 ( 2.600 0.861 -1.039) 2.929 5.039 ( -0.388 -1.056 1.385) 1.784 5.039 ( 0.038 -1.039 1.385) 1.731 5.039 ( -0.038 1.039 1.385) 1.731 5.039 ( 0.388 1.056 1.385) 1.784 5.492 ( -0.162 -0.903 -2.174) 2.359 5.492 ( 0.157 -0.902 -2.174) 2.359 5.492 ( -0.157 0.902 -2.174) 2.359 5.492 ( 0.162 0.903 -2.174) 2.359 5.663 ( -3.848 -0.971 6.687) 7.776 5.663 ( -3.559 0.639 6.687) 7.602 5.663 ( 3.559 -0.639 6.687) 7.602 5.663 ( 3.848 0.971 6.687) 7.776 5.962 ( -10.286 -1.580 -0.829) 10.440 5.962 ( -10.173 1.385 -0.829) 10.300 5.962 ( 10.173 -1.385 -0.829) 10.300 5.962 ( 10.286 1.580 -0.829) 10.440 6.294 ( -4.250 -0.748 -2.553) 5.014 6.294 ( -4.250 0.748 -2.553) 5.014 6.294 ( 4.250 -0.748 -2.553) 5.014 6.294 ( 4.250 0.748 -2.553) 5.014 6.629 ( -1.337 -0.598 -1.277) 1.944 6.629 ( -1.320 0.589 -1.277) 1.928 6.629 ( 1.320 -0.589 -1.277) 1.928 6.629 ( 1.337 0.598 -1.277) 1.944 7.220 ( -1.961 -2.714 1.978) 3.888 7.220 ( 1.779 -2.682 1.978) 3.778 7.220 ( -1.779 2.682 1.978) 3.778 7.220 ( 1.961 2.714 1.978) 3.888 7.382 ( -1.163 -2.321 -2.900) 3.892 7.382 ( 1.009 -2.303 -2.900) 3.838 7.382 ( -1.009 2.303 -2.900) 3.838 7.382 ( 1.163 2.321 -2.900) 3.892 =================== 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 3/16128 10.0 491.890 389.435 414.871 0.000 0.000 -0.000 3/16128 20.0 98.567 63.782 94.367 0.000 0.000 0.000 3/16128 30.0 41.852 26.783 40.326 0.000 0.000 -0.000 3/16128 40.0 23.973 15.349 23.040 0.000 0.000 -0.000 3/16128 50.0 15.926 10.177 15.219 0.000 0.000 -0.000 3/16128 60.0 11.640 7.402 11.037 0.000 0.000 -0.000 3/16128 70.0 9.091 5.743 8.545 0.000 0.000 -0.000 3/16128 80.0 7.442 4.666 6.934 0.000 0.000 -0.000 3/16128 90.0 6.302 3.923 5.824 0.000 0.000 -0.000 3/16128 100.0 5.473 3.384 5.020 0.000 0.000 -0.000 3/16128 110.0 4.844 2.977 4.413 0.000 0.000 -0.000 3/16128 120.0 4.350 2.659 3.940 0.000 0.000 -0.000 3/16128 130.0 3.952 2.404 3.561 0.000 0.000 -0.000 3/16128 140.0 3.625 2.196 3.251 0.000 0.000 -0.000 3/16128 150.0 3.350 2.022 2.993 0.000 0.000 -0.000 3/16128 160.0 3.115 1.874 2.774 0.000 0.000 -0.000 3/16128 170.0 2.913 1.747 2.586 0.000 0.000 -0.000 3/16128 180.0 2.736 1.637 2.423 0.000 0.000 -0.000 3/16128 190.0 2.581 1.541 2.280 0.000 0.000 -0.000 3/16128 200.0 2.443 1.456 2.153 0.000 0.000 -0.000 3/16128 210.0 2.319 1.380 2.040 0.000 0.000 -0.000 3/16128 220.0 2.208 1.311 1.939 0.000 0.000 -0.000 3/16128 230.0 2.107 1.250 1.848 0.000 0.000 -0.000 3/16128 240.0 2.015 1.194 1.765 0.000 0.000 -0.000 3/16128 250.0 1.931 1.143 1.689 0.000 0.000 -0.000 3/16128 260.0 1.854 1.096 1.620 0.000 0.000 -0.000 3/16128 270.0 1.783 1.053 1.557 0.000 0.000 -0.000 3/16128 280.0 1.717 1.013 1.498 0.000 0.000 -0.000 3/16128 290.0 1.656 0.977 1.444 0.000 0.000 -0.000 3/16128 300.0 1.600 0.943 1.393 0.000 0.000 -0.000 3/16128 310.0 1.547 0.911 1.346 0.000 0.000 -0.000 3/16128 320.0 1.498 0.881 1.303 0.000 0.000 -0.000 3/16128 330.0 1.451 0.854 1.262 0.000 0.000 -0.000 3/16128 340.0 1.408 0.828 1.223 0.000 0.000 -0.000 3/16128 350.0 1.367 0.803 1.187 0.000 0.000 -0.000 3/16128 360.0 1.328 0.780 1.153 0.000 0.000 -0.000 3/16128 370.0 1.292 0.759 1.121 0.000 0.000 -0.000 3/16128 380.0 1.257 0.738 1.090 0.000 0.000 -0.000 3/16128 390.0 1.225 0.719 1.062 0.000 0.000 -0.000 3/16128 400.0 1.194 0.700 1.035 0.000 0.000 -0.000 3/16128 410.0 1.164 0.683 1.009 0.000 0.000 -0.000 3/16128 420.0 1.136 0.666 0.984 0.000 0.000 -0.000 3/16128 430.0 1.110 0.650 0.961 0.000 0.000 -0.000 3/16128 440.0 1.084 0.635 0.938 0.000 0.000 -0.000 3/16128 450.0 1.060 0.621 0.917 0.000 0.000 -0.000 3/16128 460.0 1.037 0.607 0.897 0.000 0.000 -0.000 3/16128 470.0 1.015 0.594 0.877 0.000 0.000 -0.000 3/16128 480.0 0.993 0.581 0.859 0.000 0.000 -0.000 3/16128 490.0 0.973 0.569 0.841 0.000 0.000 -0.000 3/16128 500.0 0.953 0.558 0.824 0.000 0.000 -0.000 3/16128 510.0 0.935 0.547 0.808 0.000 0.000 -0.000 3/16128 520.0 0.917 0.536 0.792 0.000 0.000 -0.000 3/16128 530.0 0.899 0.526 0.777 0.000 0.000 -0.000 3/16128 540.0 0.882 0.516 0.762 0.000 0.000 -0.000 3/16128 550.0 0.866 0.506 0.748 0.000 0.000 -0.000 3/16128 560.0 0.851 0.497 0.735 0.000 0.000 -0.000 3/16128 570.0 0.836 0.488 0.722 0.000 0.000 -0.000 3/16128 580.0 0.821 0.480 0.709 0.000 0.000 -0.000 3/16128 590.0 0.807 0.472 0.697 0.000 0.000 -0.000 3/16128 600.0 0.794 0.464 0.685 0.000 0.000 -0.000 3/16128 610.0 0.781 0.456 0.674 0.000 0.000 -0.000 3/16128 620.0 0.768 0.449 0.663 0.000 0.000 -0.000 3/16128 630.0 0.756 0.442 0.652 0.000 0.000 -0.000 3/16128 640.0 0.744 0.435 0.642 0.000 0.000 -0.000 3/16128 650.0 0.733 0.428 0.632 0.000 0.000 -0.000 3/16128 660.0 0.722 0.421 0.622 0.000 0.000 -0.000 3/16128 670.0 0.711 0.415 0.613 0.000 0.000 -0.000 3/16128 680.0 0.700 0.409 0.604 0.000 0.000 -0.000 3/16128 690.0 0.690 0.403 0.595 0.000 0.000 -0.000 3/16128 700.0 0.680 0.397 0.586 0.000 0.000 -0.000 3/16128 710.0 0.671 0.391 0.578 0.000 0.000 -0.000 3/16128 720.0 0.661 0.386 0.570 0.000 0.000 -0.000 3/16128 730.0 0.652 0.381 0.562 0.000 0.000 -0.000 3/16128 740.0 0.643 0.375 0.555 0.000 0.000 -0.000 3/16128 750.0 0.635 0.370 0.547 0.000 0.000 -0.000 3/16128 760.0 0.627 0.366 0.540 0.000 0.000 -0.000 3/16128 770.0 0.618 0.361 0.533 0.000 0.000 -0.000 3/16128 780.0 0.610 0.356 0.526 0.000 0.000 -0.000 3/16128 790.0 0.603 0.352 0.519 0.000 0.000 -0.000 3/16128 800.0 0.595 0.347 0.513 0.000 0.000 -0.000 3/16128 810.0 0.588 0.343 0.506 0.000 0.000 -0.000 3/16128 820.0 0.581 0.339 0.500 0.000 0.000 -0.000 3/16128 830.0 0.574 0.335 0.494 0.000 0.000 -0.000 3/16128 840.0 0.567 0.331 0.488 0.000 0.000 -0.000 3/16128 850.0 0.560 0.327 0.482 0.000 0.000 -0.000 3/16128 860.0 0.554 0.323 0.477 0.000 0.000 -0.000 3/16128 870.0 0.547 0.319 0.471 0.000 0.000 -0.000 3/16128 880.0 0.541 0.316 0.466 0.000 0.000 -0.000 3/16128 890.0 0.535 0.312 0.461 0.000 0.000 -0.000 3/16128 900.0 0.529 0.308 0.456 0.000 0.000 -0.000 3/16128 910.0 0.523 0.305 0.451 0.000 0.000 -0.000 3/16128 920.0 0.518 0.302 0.446 0.000 0.000 -0.000 3/16128 930.0 0.512 0.298 0.441 0.000 0.000 -0.000 3/16128 940.0 0.507 0.295 0.436 0.000 0.000 -0.000 3/16128 950.0 0.501 0.292 0.432 0.000 0.000 -0.000 3/16128 960.0 0.496 0.289 0.427 0.000 0.000 -0.000 3/16128 970.0 0.491 0.286 0.423 0.000 0.000 -0.000 3/16128 980.0 0.486 0.283 0.418 0.000 0.000 -0.000 3/16128 990.0 0.481 0.280 0.414 0.000 0.000 -0.000 3/16128 1000.0 0.476 0.278 0.410 0.000 0.000 -0.000 3/16128 Thermal conductivity related properties were written into "kappa-m847.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:24:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|