----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:19:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.234522506238758 -5.678326945000001 0.000000000000000 b 3.234522506238758 5.678326945000001 0.000000000000000 c -2.079541301825651 0.000000000000000 13.525886376545433 Atomic positions (fractional): *1 P 0.06512680906264 0.52911204127907 0.08299227623181 30.974 2 P 0.47088795872093 0.93487319093736 0.41700772376819 30.974 3 P 0.93487319093736 0.47088795872093 0.91700772376819 30.974 4 P 0.52911204127907 0.06512680906264 0.58299227623181 30.974 *5 Se 0.82681313941760 0.44550561708601 0.61026071234147 78.960 6 Se 0.55449438291399 0.17318686058240 0.88973928765853 78.960 7 Se 0.17318686058240 0.55449438291399 0.38973928765853 78.960 8 Se 0.44550561708601 0.82681313941760 0.11026071234147 78.960 *9 Se 0.19018514173390 0.02980034868557 0.62157564556834 78.960 10 Se 0.97019965131443 0.80981485826610 0.87842435443166 78.960 11 Se 0.80981485826610 0.97019965131443 0.37842435443166 78.960 12 Se 0.02980034868557 0.19018514173390 0.12157564556834 78.960 *13 Se 0.16510008755018 0.37981136675543 0.84013386513119 78.960 14 Se 0.62018863324457 0.83489991244982 0.65986613486881 78.960 15 Se 0.83489991244982 0.62018863324457 0.15986613486881 78.960 16 Se 0.37981136675543 0.16510008755018 0.34013386513119 78.960 *17 Hg 0.77239118064133 0.57429729590444 0.42624908050256 200.590 18 Hg 0.42570270409556 0.22760881935867 0.07375091949744 200.590 19 Hg 0.22760881935867 0.42570270409556 0.57375091949744 200.590 20 Hg 0.57429729590444 0.77239118064133 0.92624908050256 200.590 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.469045012477515 0.000000000000000 0.000000000000000 b 0.000000000000000 11.356653890000002 0.000000000000000 c -2.079541301825651 0.000000000000000 13.525886376545433 Atomic positions (fractional): *1 P 0.29711942517086 0.23199261610822 0.08299227623181 30.974 > 1 2 P 0.70288057482914 0.23199261610822 0.41700772376819 30.974 > 2 3 P 0.20288057482914 0.26800738389178 0.91700772376819 30.974 > 3 4 P 0.79711942517086 0.26800738389178 0.58299227623181 30.974 > 4 5 P 0.79711942517086 0.73199261610822 0.08299227623181 30.974 > 1 6 P 0.20288057482914 0.73199261610822 0.41700772376819 30.974 > 2 7 P 0.70288057482914 0.76800738389178 0.91700772376819 30.974 > 3 8 P 0.29711942517086 0.76800738389178 0.58299227623181 30.974 > 4 *9 Se 0.13615937825180 0.30934623883421 0.61026071234147 78.960 > 5 10 Se 0.86384062174820 0.30934623883421 0.88973928765853 78.960 > 6 11 Se 0.36384062174820 0.19065376116579 0.38973928765853 78.960 > 7 12 Se 0.63615937825180 0.19065376116579 0.11026071234147 78.960 > 8 *13 Se 0.60999274520973 0.41980760347584 0.62157564556834 78.960 > 9 14 Se 0.39000725479027 0.41980760347584 0.87842435443166 78.960 > 10 15 Se 0.89000725479027 0.08019239652417 0.37842435443166 78.960 > 11 16 Se 0.10999274520973 0.08019239652417 0.12157564556834 78.960 > 12 *17 Se 0.27245572715281 0.10735563960263 0.84013386513119 78.960 > 13 18 Se 0.72754427284720 0.10735563960263 0.65986613486881 78.960 > 14 19 Se 0.22754427284720 0.39264436039737 0.15986613486881 78.960 > 15 20 Se 0.77245572715280 0.39264436039737 0.34013386513119 78.960 > 16 21 Se 0.63615937825180 0.80934623883421 0.61026071234147 78.960 > 5 22 Se 0.36384062174820 0.80934623883421 0.88973928765853 78.960 > 6 23 Se 0.86384062174820 0.69065376116579 0.38973928765853 78.960 > 7 24 Se 0.13615937825180 0.69065376116579 0.11026071234147 78.960 > 8 25 Se 0.10999274520973 0.91980760347584 0.62157564556834 78.960 > 9 26 Se 0.89000725479027 0.91980760347584 0.87842435443166 78.960 > 10 27 Se 0.39000725479027 0.58019239652416 0.37842435443166 78.960 > 11 28 Se 0.60999274520973 0.58019239652416 0.12157564556834 78.960 > 12 29 Se 0.77245572715280 0.60735563960263 0.84013386513119 78.960 > 13 30 Se 0.22754427284720 0.60735563960263 0.65986613486881 78.960 > 14 31 Se 0.72754427284720 0.89264436039737 0.15986613486881 78.960 > 15 32 Se 0.27245572715281 0.89264436039737 0.34013386513119 78.960 > 16 *33 Hg 0.17334423827288 0.40095305763155 0.42624908050256 200.590 > 17 34 Hg 0.82665576172712 0.40095305763155 0.07375091949744 200.590 > 18 35 Hg 0.32665576172712 0.09904694236845 0.57375091949744 200.590 > 19 36 Hg 0.67334423827288 0.09904694236845 0.92624908050256 200.590 > 20 37 Hg 0.67334423827288 0.90095305763155 0.42624908050256 200.590 > 17 38 Hg 0.32665576172712 0.90095305763155 0.07375091949744 200.590 > 18 39 Hg 0.82665576172712 0.59904694236845 0.57375091949744 200.590 > 19 40 Hg 0.17334423827288 0.59904694236845 0.92624908050256 200.590 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.938090024955031 0.000000000000000 0.000000000000000 b 0.000000000000000 11.356653890000002 0.000000000000000 c -2.079541301825651 0.000000000000000 13.525886376545433 Atomic positions (fractional): *1 P 0.14855971258543 0.23199261610822 0.08299227623181 30.974 > 1 2 P 0.64855971258543 0.23199261610822 0.08299227623181 30.974 > 1 3 P 0.35144028741457 0.23199261610822 0.41700772376819 30.974 > 2 4 P 0.85144028741457 0.23199261610822 0.41700772376819 30.974 > 2 5 P 0.10144028741457 0.26800738389178 0.91700772376819 30.974 > 3 6 P 0.60144028741457 0.26800738389178 0.91700772376819 30.974 > 3 7 P 0.39855971258543 0.26800738389178 0.58299227623181 30.974 > 4 8 P 0.89855971258543 0.26800738389178 0.58299227623181 30.974 > 4 9 P 0.39855971258543 0.73199261610822 0.08299227623181 30.974 > 1 10 P 0.89855971258543 0.73199261610822 0.08299227623181 30.974 > 1 11 P 0.10144028741457 0.73199261610822 0.41700772376819 30.974 > 2 12 P 0.60144028741457 0.73199261610822 0.41700772376819 30.974 > 2 13 P 0.35144028741457 0.76800738389178 0.91700772376819 30.974 > 3 14 P 0.85144028741457 0.76800738389178 0.91700772376819 30.974 > 3 15 P 0.14855971258543 0.76800738389178 0.58299227623181 30.974 > 4 16 P 0.64855971258543 0.76800738389178 0.58299227623181 30.974 > 4 *17 Se 0.06807968912590 0.30934623883421 0.61026071234147 78.960 > 5 18 Se 0.56807968912590 0.30934623883421 0.61026071234147 78.960 > 5 19 Se 0.43192031087410 0.30934623883421 0.88973928765853 78.960 > 6 20 Se 0.93192031087410 0.30934623883421 0.88973928765853 78.960 > 6 21 Se 0.18192031087410 0.19065376116579 0.38973928765853 78.960 > 7 22 Se 0.68192031087410 0.19065376116579 0.38973928765853 78.960 > 7 23 Se 0.31807968912590 0.19065376116579 0.11026071234147 78.960 > 8 24 Se 0.81807968912590 0.19065376116579 0.11026071234147 78.960 > 8 *25 Se 0.30499637260487 0.41980760347584 0.62157564556834 78.960 > 9 26 Se 0.80499637260487 0.41980760347584 0.62157564556834 78.960 > 9 27 Se 0.19500362739513 0.41980760347584 0.87842435443166 78.960 > 10 28 Se 0.69500362739513 0.41980760347584 0.87842435443166 78.960 > 10 29 Se 0.44500362739513 0.08019239652417 0.37842435443166 78.960 > 11 30 Se 0.94500362739513 0.08019239652417 0.37842435443166 78.960 > 11 31 Se 0.05499637260487 0.08019239652417 0.12157564556834 78.960 > 12 32 Se 0.55499637260487 0.08019239652417 0.12157564556834 78.960 > 12 *33 Se 0.13622786357640 0.10735563960263 0.84013386513119 78.960 > 13 34 Se 0.63622786357640 0.10735563960263 0.84013386513119 78.960 > 13 35 Se 0.36377213642360 0.10735563960263 0.65986613486881 78.960 > 14 36 Se 0.86377213642360 0.10735563960263 0.65986613486881 78.960 > 14 37 Se 0.11377213642360 0.39264436039737 0.15986613486881 78.960 > 15 38 Se 0.61377213642360 0.39264436039737 0.15986613486881 78.960 > 15 39 Se 0.38622786357640 0.39264436039737 0.34013386513119 78.960 > 16 40 Se 0.88622786357640 0.39264436039737 0.34013386513119 78.960 > 16 41 Se 0.31807968912590 0.80934623883421 0.61026071234147 78.960 > 5 42 Se 0.81807968912590 0.80934623883421 0.61026071234147 78.960 > 5 43 Se 0.18192031087410 0.80934623883421 0.88973928765853 78.960 > 6 44 Se 0.68192031087410 0.80934623883421 0.88973928765853 78.960 > 6 45 Se 0.43192031087410 0.69065376116579 0.38973928765853 78.960 > 7 46 Se 0.93192031087410 0.69065376116579 0.38973928765853 78.960 > 7 47 Se 0.06807968912590 0.69065376116579 0.11026071234147 78.960 > 8 48 Se 0.56807968912590 0.69065376116579 0.11026071234147 78.960 > 8 49 Se 0.05499637260487 0.91980760347584 0.62157564556834 78.960 > 9 50 Se 0.55499637260487 0.91980760347584 0.62157564556834 78.960 > 9 51 Se 0.44500362739513 0.91980760347584 0.87842435443166 78.960 > 10 52 Se 0.94500362739513 0.91980760347584 0.87842435443166 78.960 > 10 53 Se 0.19500362739513 0.58019239652416 0.37842435443166 78.960 > 11 54 Se 0.69500362739513 0.58019239652416 0.37842435443166 78.960 > 11 55 Se 0.30499637260487 0.58019239652416 0.12157564556834 78.960 > 12 56 Se 0.80499637260487 0.58019239652416 0.12157564556834 78.960 > 12 57 Se 0.38622786357640 0.60735563960263 0.84013386513119 78.960 > 13 58 Se 0.88622786357640 0.60735563960263 0.84013386513119 78.960 > 13 59 Se 0.11377213642360 0.60735563960263 0.65986613486881 78.960 > 14 60 Se 0.61377213642360 0.60735563960263 0.65986613486881 78.960 > 14 61 Se 0.36377213642360 0.89264436039737 0.15986613486881 78.960 > 15 62 Se 0.86377213642360 0.89264436039737 0.15986613486881 78.960 > 15 63 Se 0.13622786357640 0.89264436039737 0.34013386513119 78.960 > 16 64 Se 0.63622786357640 0.89264436039737 0.34013386513119 78.960 > 16 *65 Hg 0.08667211913644 0.40095305763155 0.42624908050256 200.590 > 17 66 Hg 0.58667211913644 0.40095305763155 0.42624908050256 200.590 > 17 67 Hg 0.41332788086356 0.40095305763155 0.07375091949744 200.590 > 18 68 Hg 0.91332788086356 0.40095305763155 0.07375091949744 200.590 > 18 69 Hg 0.16332788086356 0.09904694236845 0.57375091949744 200.590 > 19 70 Hg 0.66332788086356 0.09904694236845 0.57375091949744 200.590 > 19 71 Hg 0.33667211913644 0.09904694236845 0.92624908050256 200.590 > 20 72 Hg 0.83667211913644 0.09904694236845 0.92624908050256 200.590 > 20 73 Hg 0.33667211913644 0.90095305763155 0.42624908050256 200.590 > 17 74 Hg 0.83667211913644 0.90095305763155 0.42624908050256 200.590 > 17 75 Hg 0.16332788086356 0.90095305763155 0.07375091949744 200.590 > 18 76 Hg 0.66332788086356 0.90095305763155 0.07375091949744 200.590 > 18 77 Hg 0.41332788086356 0.59904694236845 0.57375091949744 200.590 > 19 78 Hg 0.91332788086356 0.59904694236845 0.57375091949744 200.590 > 19 79 Hg 0.08667211913644 0.59904694236845 0.92624908050256 200.590 > 20 80 Hg 0.58667211913644 0.59904694236845 0.92624908050256 200.590 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 13.1127080 0.0000000 0.1397484 0.0000000 12.3733458 0.0000000 0.1397445 0.0000000 7.3810078 -------------------------- Born effective charges -------------------------- 1 P 2.0269502 -0.8317629 0.1123978 0.7757627 2.5165292 0.1536410 -0.6765981 0.1109855 0.6127421 2 P 2.0269502 0.8317629 0.1123978 -0.7757627 2.5165292 -0.1536410 -0.6765981 -0.1109855 0.6127421 3 P 2.0269502 -0.8317629 0.1123978 0.7757627 2.5165292 0.1536410 -0.6765981 0.1109855 0.6127421 4 P 2.0269502 0.8317629 0.1123978 -0.7757627 2.5165292 -0.1536410 -0.6765981 -0.1109855 0.6127421 5 Se -1.8182640 0.4874444 -0.0844319 0.7279184 -1.4304417 -0.0103820 0.3565682 0.1628497 -0.8557519 6 Se -1.8182640 -0.4874444 -0.0844319 -0.7279184 -1.4304417 0.0103820 0.3565682 -0.1628497 -0.8557519 7 Se -1.8182640 0.4874444 -0.0844319 0.7279184 -1.4304417 -0.0103820 0.3565682 0.1628497 -0.8557519 8 Se -1.8182640 -0.4874444 -0.0844319 -0.7279184 -1.4304417 0.0103820 0.3565682 -0.1628497 -0.8557519 9 Se -1.2694037 -0.7541165 0.1303465 -0.4576825 -2.2182081 -0.3300520 0.3376259 -0.4404467 -0.6389801 10 Se -1.2694037 0.7541165 0.1303465 0.4576825 -2.2182081 0.3300520 0.3376259 0.4404467 -0.6389801 11 Se -1.2694037 -0.7541165 0.1303465 -0.4576825 -2.2182081 -0.3300520 0.3376259 -0.4404467 -0.6389801 12 Se -1.2694037 0.7541165 0.1303465 0.4576825 -2.2182081 0.3300520 0.3376259 0.4404467 -0.6389801 13 Se -2.0424194 0.2923741 -0.1305703 0.1383357 -1.7771733 -0.5915482 -0.0883661 -0.4639135 -0.7172023 14 Se -2.0424194 -0.2923741 -0.1305703 -0.1383357 -1.7771733 0.5915482 -0.0883661 0.4639135 -0.7172023 15 Se -2.0424194 0.2923741 -0.1305703 0.1383357 -1.7771733 -0.5915482 -0.0883661 -0.4639135 -0.7172023 16 Se -2.0424194 -0.2923741 -0.1305703 -0.1383357 -1.7771733 0.5915482 -0.0883661 0.4639135 -0.7172023 17 Hg 3.1031369 -0.2861458 -0.0277421 0.5847205 2.9092939 -0.2263737 0.0707702 -0.2066366 1.5991922 18 Hg 3.1031369 0.2861458 -0.0277421 -0.5847205 2.9092939 0.2263737 0.0707702 0.2066366 1.5991922 19 Hg 3.1031369 -0.2861458 -0.0277421 0.5847205 2.9092939 -0.2263737 0.0707702 -0.2066366 1.5991922 20 Hg 3.1031369 0.2861458 -0.0277421 -0.5847205 2.9092939 0.2263737 0.0707702 0.2066366 1.5991922 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 8844/8844 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1890 Number of blocks in projector: 1890 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: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 230 Use standard eigh solver. Tree of FC basis block matrices: - (1890, 1846), data: False |-- (230, 225), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (400, 391), data: True |-- (400, 390), data: True |-- (400, 390), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 2.199 Solver_block: 200 / 640 - Time: 2.208 Solver_block: 300 / 640 - Time: 2.210 Solver_block: 400 / 640 - Time: 2.206 Solver_block: 500 / 640 - Time: 2.206 Solver_block: 600 / 640 - Time: 2.211 Solver_block: 640 / 640 - Time: 0.944 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.231 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 240/240 Permutation basis: 8844/8844 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1890 Number of blocks in projector: 1890 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: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 230 Use standard eigh solver. Tree of FC basis block matrices: - (1890, 1846), data: False |-- (230, 225), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (400, 391), data: True |-- (400, 390), data: True |-- (400, 390), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:19:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:19:38]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.234522506238758 -5.678326945000001 0.000000000000000 b 3.234522506238758 5.678326945000001 0.000000000000000 c -2.079541301825651 0.000000000000000 13.525886376545433 Atomic positions (fractional): 1 P 0.06512680906264 0.52911204127907 0.08299227623181 30.974 2 P 0.47088795872093 0.93487319093736 0.41700772376819 30.974 3 P 0.93487319093736 0.47088795872093 0.91700772376819 30.974 4 P 0.52911204127907 0.06512680906264 0.58299227623181 30.974 5 Se 0.82681313941760 0.44550561708601 0.61026071234147 78.960 6 Se 0.55449438291399 0.17318686058240 0.88973928765853 78.960 7 Se 0.17318686058240 0.55449438291399 0.38973928765853 78.960 8 Se 0.44550561708601 0.82681313941760 0.11026071234147 78.960 9 Se 0.19018514173390 0.02980034868557 0.62157564556834 78.960 10 Se 0.97019965131443 0.80981485826610 0.87842435443166 78.960 11 Se 0.80981485826610 0.97019965131443 0.37842435443166 78.960 12 Se 0.02980034868557 0.19018514173390 0.12157564556834 78.960 13 Se 0.16510008755018 0.37981136675543 0.84013386513119 78.960 14 Se 0.62018863324457 0.83489991244982 0.65986613486881 78.960 15 Se 0.83489991244982 0.62018863324457 0.15986613486881 78.960 16 Se 0.37981136675543 0.16510008755018 0.34013386513119 78.960 17 Hg 0.77239118064133 0.57429729590444 0.42624908050256 200.590 18 Hg 0.42570270409556 0.22760881935867 0.07375091949744 200.590 19 Hg 0.22760881935867 0.42570270409556 0.57375091949744 200.590 20 Hg 0.57429729590444 0.77239118064133 0.92624908050256 200.590 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.938090024955031 0.000000000000000 0.000000000000000 b 0.000000000000000 11.356653890000002 0.000000000000000 c -2.079541301825651 0.000000000000000 13.525886376545433 Atomic positions (fractional): 1 P 0.14855971258543 0.23199261610822 0.08299227623181 30.974 > 1 2 P 0.64855971258543 0.23199261610822 0.08299227623181 30.974 > 1 3 P 0.35144028741457 0.23199261610822 0.41700772376819 30.974 > 3 4 P 0.85144028741457 0.23199261610822 0.41700772376819 30.974 > 3 5 P 0.10144028741457 0.26800738389178 0.91700772376819 30.974 > 5 6 P 0.60144028741457 0.26800738389178 0.91700772376819 30.974 > 5 7 P 0.39855971258543 0.26800738389178 0.58299227623181 30.974 > 7 8 P 0.89855971258543 0.26800738389178 0.58299227623181 30.974 > 7 9 P 0.39855971258543 0.73199261610822 0.08299227623181 30.974 > 1 10 P 0.89855971258543 0.73199261610822 0.08299227623181 30.974 > 1 11 P 0.10144028741457 0.73199261610822 0.41700772376819 30.974 > 3 12 P 0.60144028741457 0.73199261610822 0.41700772376819 30.974 > 3 13 P 0.35144028741457 0.76800738389178 0.91700772376819 30.974 > 5 14 P 0.85144028741457 0.76800738389178 0.91700772376819 30.974 > 5 15 P 0.14855971258543 0.76800738389178 0.58299227623181 30.974 > 7 16 P 0.64855971258543 0.76800738389178 0.58299227623181 30.974 > 7 17 Se 0.06807968912590 0.30934623883421 0.61026071234147 78.960 > 17 18 Se 0.56807968912590 0.30934623883421 0.61026071234147 78.960 > 17 19 Se 0.43192031087410 0.30934623883421 0.88973928765853 78.960 > 19 20 Se 0.93192031087410 0.30934623883421 0.88973928765853 78.960 > 19 21 Se 0.18192031087410 0.19065376116579 0.38973928765853 78.960 > 21 22 Se 0.68192031087410 0.19065376116579 0.38973928765853 78.960 > 21 23 Se 0.31807968912590 0.19065376116579 0.11026071234147 78.960 > 23 24 Se 0.81807968912590 0.19065376116579 0.11026071234147 78.960 > 23 25 Se 0.30499637260487 0.41980760347584 0.62157564556834 78.960 > 25 26 Se 0.80499637260487 0.41980760347584 0.62157564556834 78.960 > 25 27 Se 0.19500362739513 0.41980760347584 0.87842435443166 78.960 > 27 28 Se 0.69500362739513 0.41980760347584 0.87842435443166 78.960 > 27 29 Se 0.44500362739513 0.08019239652417 0.37842435443166 78.960 > 29 30 Se 0.94500362739513 0.08019239652417 0.37842435443166 78.960 > 29 31 Se 0.05499637260487 0.08019239652417 0.12157564556834 78.960 > 31 32 Se 0.55499637260487 0.08019239652417 0.12157564556834 78.960 > 31 33 Se 0.13622786357640 0.10735563960263 0.84013386513119 78.960 > 33 34 Se 0.63622786357640 0.10735563960263 0.84013386513119 78.960 > 33 35 Se 0.36377213642360 0.10735563960263 0.65986613486881 78.960 > 35 36 Se 0.86377213642360 0.10735563960263 0.65986613486881 78.960 > 35 37 Se 0.11377213642360 0.39264436039737 0.15986613486881 78.960 > 37 38 Se 0.61377213642360 0.39264436039737 0.15986613486881 78.960 > 37 39 Se 0.38622786357640 0.39264436039737 0.34013386513119 78.960 > 39 40 Se 0.88622786357640 0.39264436039737 0.34013386513119 78.960 > 39 41 Se 0.31807968912590 0.80934623883421 0.61026071234147 78.960 > 17 42 Se 0.81807968912590 0.80934623883421 0.61026071234147 78.960 > 17 43 Se 0.18192031087410 0.80934623883421 0.88973928765853 78.960 > 19 44 Se 0.68192031087410 0.80934623883421 0.88973928765853 78.960 > 19 45 Se 0.43192031087410 0.69065376116579 0.38973928765853 78.960 > 21 46 Se 0.93192031087410 0.69065376116579 0.38973928765853 78.960 > 21 47 Se 0.06807968912590 0.69065376116579 0.11026071234147 78.960 > 23 48 Se 0.56807968912590 0.69065376116579 0.11026071234147 78.960 > 23 49 Se 0.05499637260487 0.91980760347584 0.62157564556834 78.960 > 25 50 Se 0.55499637260487 0.91980760347584 0.62157564556834 78.960 > 25 51 Se 0.44500362739513 0.91980760347584 0.87842435443166 78.960 > 27 52 Se 0.94500362739513 0.91980760347584 0.87842435443166 78.960 > 27 53 Se 0.19500362739513 0.58019239652416 0.37842435443166 78.960 > 29 54 Se 0.69500362739513 0.58019239652416 0.37842435443166 78.960 > 29 55 Se 0.30499637260487 0.58019239652416 0.12157564556834 78.960 > 31 56 Se 0.80499637260487 0.58019239652416 0.12157564556834 78.960 > 31 57 Se 0.38622786357640 0.60735563960263 0.84013386513119 78.960 > 33 58 Se 0.88622786357640 0.60735563960263 0.84013386513119 78.960 > 33 59 Se 0.11377213642360 0.60735563960263 0.65986613486881 78.960 > 35 60 Se 0.61377213642360 0.60735563960263 0.65986613486881 78.960 > 35 61 Se 0.36377213642360 0.89264436039737 0.15986613486881 78.960 > 37 62 Se 0.86377213642360 0.89264436039737 0.15986613486881 78.960 > 37 63 Se 0.13622786357640 0.89264436039737 0.34013386513119 78.960 > 39 64 Se 0.63622786357640 0.89264436039737 0.34013386513119 78.960 > 39 65 Hg 0.08667211913644 0.40095305763155 0.42624908050256 200.590 > 65 66 Hg 0.58667211913644 0.40095305763155 0.42624908050256 200.590 > 65 67 Hg 0.41332788086356 0.40095305763155 0.07375091949744 200.590 > 67 68 Hg 0.91332788086356 0.40095305763155 0.07375091949744 200.590 > 67 69 Hg 0.16332788086356 0.09904694236845 0.57375091949744 200.590 > 69 70 Hg 0.66332788086356 0.09904694236845 0.57375091949744 200.590 > 69 71 Hg 0.33667211913644 0.09904694236845 0.92624908050256 200.590 > 71 72 Hg 0.83667211913644 0.09904694236845 0.92624908050256 200.590 > 71 73 Hg 0.33667211913644 0.90095305763155 0.42624908050256 200.590 > 65 74 Hg 0.83667211913644 0.90095305763155 0.42624908050256 200.590 > 65 75 Hg 0.16332788086356 0.90095305763155 0.07375091949744 200.590 > 67 76 Hg 0.66332788086356 0.90095305763155 0.07375091949744 200.590 > 67 77 Hg 0.41332788086356 0.59904694236845 0.57375091949744 200.590 > 69 78 Hg 0.91332788086356 0.59904694236845 0.57375091949744 200.590 > 69 79 Hg 0.08667211913644 0.59904694236845 0.92624908050256 200.590 > 71 80 Hg 0.58667211913644 0.59904694236845 0.92624908050256 200.590 > 71 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 13.1127080 0.0000000 0.1397484 0.0000000 12.3733458 0.0000000 0.1397445 0.0000000 7.3810078 -------------------------- Born effective charges -------------------------- 1 P 2.0269502 -0.8317629 0.1123978 0.7757627 2.5165292 0.1536410 -0.6765981 0.1109855 0.6127421 2 P 2.0269502 0.8317629 0.1123978 -0.7757627 2.5165292 -0.1536410 -0.6765981 -0.1109855 0.6127421 3 P 2.0269502 -0.8317629 0.1123978 0.7757627 2.5165292 0.1536410 -0.6765981 0.1109855 0.6127421 4 P 2.0269502 0.8317629 0.1123978 -0.7757627 2.5165292 -0.1536410 -0.6765981 -0.1109855 0.6127421 5 Se -1.8182640 0.4874444 -0.0844319 0.7279184 -1.4304417 -0.0103820 0.3565682 0.1628497 -0.8557519 6 Se -1.8182640 -0.4874444 -0.0844319 -0.7279184 -1.4304417 0.0103820 0.3565682 -0.1628497 -0.8557519 7 Se -1.8182640 0.4874444 -0.0844319 0.7279184 -1.4304417 -0.0103820 0.3565682 0.1628497 -0.8557519 8 Se -1.8182640 -0.4874444 -0.0844319 -0.7279184 -1.4304417 0.0103820 0.3565682 -0.1628497 -0.8557519 9 Se -1.2694037 -0.7541165 0.1303465 -0.4576825 -2.2182081 -0.3300520 0.3376259 -0.4404467 -0.6389801 10 Se -1.2694037 0.7541165 0.1303465 0.4576825 -2.2182081 0.3300520 0.3376259 0.4404467 -0.6389801 11 Se -1.2694037 -0.7541165 0.1303465 -0.4576825 -2.2182081 -0.3300520 0.3376259 -0.4404467 -0.6389801 12 Se -1.2694037 0.7541165 0.1303465 0.4576825 -2.2182081 0.3300520 0.3376259 0.4404467 -0.6389801 13 Se -2.0424194 0.2923741 -0.1305703 0.1383357 -1.7771733 -0.5915482 -0.0883661 -0.4639135 -0.7172023 14 Se -2.0424194 -0.2923741 -0.1305703 -0.1383357 -1.7771733 0.5915482 -0.0883661 0.4639135 -0.7172023 15 Se -2.0424194 0.2923741 -0.1305703 0.1383357 -1.7771733 -0.5915482 -0.0883661 -0.4639135 -0.7172023 16 Se -2.0424194 -0.2923741 -0.1305703 -0.1383357 -1.7771733 0.5915482 -0.0883661 0.4639135 -0.7172023 17 Hg 3.1031369 -0.2861458 -0.0277421 0.5847205 2.9092939 -0.2263737 0.0707702 -0.2066366 1.5991922 18 Hg 3.1031369 0.2861458 -0.0277421 -0.5847205 2.9092939 0.2263737 0.0707702 0.2066366 1.5991922 19 Hg 3.1031369 -0.2861458 -0.0277421 0.5847205 2.9092939 -0.2263737 0.0707702 -0.2066366 1.5991922 20 Hg 3.1031369 0.2861458 -0.0277421 -0.5847205 2.9092939 0.2263737 0.0707702 0.2066366 1.5991922 ---------------------------------------------------------------------------- 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] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 17, 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] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 25, 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] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] 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] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] 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] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xy) 0.00000000 (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 2026-01-07 22:19:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:19:52]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.234522506238758 -5.678326945000001 0.000000000000000 b 3.234522506238758 5.678326945000001 0.000000000000000 c -2.079541301825651 0.000000000000000 13.525886376545433 Atomic positions (fractional): 1 P 0.06512680906264 0.52911204127907 0.08299227623181 30.974 2 P 0.47088795872093 0.93487319093736 0.41700772376819 30.974 3 P 0.93487319093736 0.47088795872093 0.91700772376819 30.974 4 P 0.52911204127907 0.06512680906264 0.58299227623181 30.974 5 Se 0.82681313941760 0.44550561708601 0.61026071234147 78.960 6 Se 0.55449438291399 0.17318686058240 0.88973928765853 78.960 7 Se 0.17318686058240 0.55449438291399 0.38973928765853 78.960 8 Se 0.44550561708601 0.82681313941760 0.11026071234147 78.960 9 Se 0.19018514173390 0.02980034868557 0.62157564556834 78.960 10 Se 0.97019965131443 0.80981485826610 0.87842435443166 78.960 11 Se 0.80981485826610 0.97019965131443 0.37842435443166 78.960 12 Se 0.02980034868557 0.19018514173390 0.12157564556834 78.960 13 Se 0.16510008755018 0.37981136675543 0.84013386513119 78.960 14 Se 0.62018863324457 0.83489991244982 0.65986613486881 78.960 15 Se 0.83489991244982 0.62018863324457 0.15986613486881 78.960 16 Se 0.37981136675543 0.16510008755018 0.34013386513119 78.960 17 Hg 0.77239118064133 0.57429729590444 0.42624908050256 200.590 18 Hg 0.42570270409556 0.22760881935867 0.07375091949744 200.590 19 Hg 0.22760881935867 0.42570270409556 0.57375091949744 200.590 20 Hg 0.57429729590444 0.77239118064133 0.92624908050256 200.590 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.938090024955031 0.000000000000000 0.000000000000000 b 0.000000000000000 11.356653890000002 0.000000000000000 c -2.079541301825651 0.000000000000000 13.525886376545433 Atomic positions (fractional): 1 P 0.14855971258543 0.23199261610822 0.08299227623181 30.974 > 1 2 P 0.64855971258543 0.23199261610822 0.08299227623181 30.974 > 1 3 P 0.35144028741457 0.23199261610822 0.41700772376819 30.974 > 3 4 P 0.85144028741457 0.23199261610822 0.41700772376819 30.974 > 3 5 P 0.10144028741457 0.26800738389178 0.91700772376819 30.974 > 5 6 P 0.60144028741457 0.26800738389178 0.91700772376819 30.974 > 5 7 P 0.39855971258543 0.26800738389178 0.58299227623181 30.974 > 7 8 P 0.89855971258543 0.26800738389178 0.58299227623181 30.974 > 7 9 P 0.39855971258543 0.73199261610822 0.08299227623181 30.974 > 1 10 P 0.89855971258543 0.73199261610822 0.08299227623181 30.974 > 1 11 P 0.10144028741457 0.73199261610822 0.41700772376819 30.974 > 3 12 P 0.60144028741457 0.73199261610822 0.41700772376819 30.974 > 3 13 P 0.35144028741457 0.76800738389178 0.91700772376819 30.974 > 5 14 P 0.85144028741457 0.76800738389178 0.91700772376819 30.974 > 5 15 P 0.14855971258543 0.76800738389178 0.58299227623181 30.974 > 7 16 P 0.64855971258543 0.76800738389178 0.58299227623181 30.974 > 7 17 Se 0.06807968912590 0.30934623883421 0.61026071234147 78.960 > 17 18 Se 0.56807968912590 0.30934623883421 0.61026071234147 78.960 > 17 19 Se 0.43192031087410 0.30934623883421 0.88973928765853 78.960 > 19 20 Se 0.93192031087410 0.30934623883421 0.88973928765853 78.960 > 19 21 Se 0.18192031087410 0.19065376116579 0.38973928765853 78.960 > 21 22 Se 0.68192031087410 0.19065376116579 0.38973928765853 78.960 > 21 23 Se 0.31807968912590 0.19065376116579 0.11026071234147 78.960 > 23 24 Se 0.81807968912590 0.19065376116579 0.11026071234147 78.960 > 23 25 Se 0.30499637260487 0.41980760347584 0.62157564556834 78.960 > 25 26 Se 0.80499637260487 0.41980760347584 0.62157564556834 78.960 > 25 27 Se 0.19500362739513 0.41980760347584 0.87842435443166 78.960 > 27 28 Se 0.69500362739513 0.41980760347584 0.87842435443166 78.960 > 27 29 Se 0.44500362739513 0.08019239652417 0.37842435443166 78.960 > 29 30 Se 0.94500362739513 0.08019239652417 0.37842435443166 78.960 > 29 31 Se 0.05499637260487 0.08019239652417 0.12157564556834 78.960 > 31 32 Se 0.55499637260487 0.08019239652417 0.12157564556834 78.960 > 31 33 Se 0.13622786357640 0.10735563960263 0.84013386513119 78.960 > 33 34 Se 0.63622786357640 0.10735563960263 0.84013386513119 78.960 > 33 35 Se 0.36377213642360 0.10735563960263 0.65986613486881 78.960 > 35 36 Se 0.86377213642360 0.10735563960263 0.65986613486881 78.960 > 35 37 Se 0.11377213642360 0.39264436039737 0.15986613486881 78.960 > 37 38 Se 0.61377213642360 0.39264436039737 0.15986613486881 78.960 > 37 39 Se 0.38622786357640 0.39264436039737 0.34013386513119 78.960 > 39 40 Se 0.88622786357640 0.39264436039737 0.34013386513119 78.960 > 39 41 Se 0.31807968912590 0.80934623883421 0.61026071234147 78.960 > 17 42 Se 0.81807968912590 0.80934623883421 0.61026071234147 78.960 > 17 43 Se 0.18192031087410 0.80934623883421 0.88973928765853 78.960 > 19 44 Se 0.68192031087410 0.80934623883421 0.88973928765853 78.960 > 19 45 Se 0.43192031087410 0.69065376116579 0.38973928765853 78.960 > 21 46 Se 0.93192031087410 0.69065376116579 0.38973928765853 78.960 > 21 47 Se 0.06807968912590 0.69065376116579 0.11026071234147 78.960 > 23 48 Se 0.56807968912590 0.69065376116579 0.11026071234147 78.960 > 23 49 Se 0.05499637260487 0.91980760347584 0.62157564556834 78.960 > 25 50 Se 0.55499637260487 0.91980760347584 0.62157564556834 78.960 > 25 51 Se 0.44500362739513 0.91980760347584 0.87842435443166 78.960 > 27 52 Se 0.94500362739513 0.91980760347584 0.87842435443166 78.960 > 27 53 Se 0.19500362739513 0.58019239652416 0.37842435443166 78.960 > 29 54 Se 0.69500362739513 0.58019239652416 0.37842435443166 78.960 > 29 55 Se 0.30499637260487 0.58019239652416 0.12157564556834 78.960 > 31 56 Se 0.80499637260487 0.58019239652416 0.12157564556834 78.960 > 31 57 Se 0.38622786357640 0.60735563960263 0.84013386513119 78.960 > 33 58 Se 0.88622786357640 0.60735563960263 0.84013386513119 78.960 > 33 59 Se 0.11377213642360 0.60735563960263 0.65986613486881 78.960 > 35 60 Se 0.61377213642360 0.60735563960263 0.65986613486881 78.960 > 35 61 Se 0.36377213642360 0.89264436039737 0.15986613486881 78.960 > 37 62 Se 0.86377213642360 0.89264436039737 0.15986613486881 78.960 > 37 63 Se 0.13622786357640 0.89264436039737 0.34013386513119 78.960 > 39 64 Se 0.63622786357640 0.89264436039737 0.34013386513119 78.960 > 39 65 Hg 0.08667211913644 0.40095305763155 0.42624908050256 200.590 > 65 66 Hg 0.58667211913644 0.40095305763155 0.42624908050256 200.590 > 65 67 Hg 0.41332788086356 0.40095305763155 0.07375091949744 200.590 > 67 68 Hg 0.91332788086356 0.40095305763155 0.07375091949744 200.590 > 67 69 Hg 0.16332788086356 0.09904694236845 0.57375091949744 200.590 > 69 70 Hg 0.66332788086356 0.09904694236845 0.57375091949744 200.590 > 69 71 Hg 0.33667211913644 0.09904694236845 0.92624908050256 200.590 > 71 72 Hg 0.83667211913644 0.09904694236845 0.92624908050256 200.590 > 71 73 Hg 0.33667211913644 0.90095305763155 0.42624908050256 200.590 > 65 74 Hg 0.83667211913644 0.90095305763155 0.42624908050256 200.590 > 65 75 Hg 0.16332788086356 0.90095305763155 0.07375091949744 200.590 > 67 76 Hg 0.66332788086356 0.90095305763155 0.07375091949744 200.590 > 67 77 Hg 0.41332788086356 0.59904694236845 0.57375091949744 200.590 > 69 78 Hg 0.91332788086356 0.59904694236845 0.57375091949744 200.590 > 69 79 Hg 0.08667211913644 0.59904694236845 0.92624908050256 200.590 > 71 80 Hg 0.58667211913644 0.59904694236845 0.92624908050256 200.590 > 71 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 13.1127080 0.0000000 0.1397484 0.0000000 12.3733458 0.0000000 0.1397445 0.0000000 7.3810078 -------------------------- Born effective charges -------------------------- 1 P 2.0269502 -0.8317629 0.1123978 0.7757627 2.5165292 0.1536410 -0.6765981 0.1109855 0.6127421 2 P 2.0269502 0.8317629 0.1123978 -0.7757627 2.5165292 -0.1536410 -0.6765981 -0.1109855 0.6127421 3 P 2.0269502 -0.8317629 0.1123978 0.7757627 2.5165292 0.1536410 -0.6765981 0.1109855 0.6127421 4 P 2.0269502 0.8317629 0.1123978 -0.7757627 2.5165292 -0.1536410 -0.6765981 -0.1109855 0.6127421 5 Se -1.8182640 0.4874444 -0.0844319 0.7279184 -1.4304417 -0.0103820 0.3565682 0.1628497 -0.8557519 6 Se -1.8182640 -0.4874444 -0.0844319 -0.7279184 -1.4304417 0.0103820 0.3565682 -0.1628497 -0.8557519 7 Se -1.8182640 0.4874444 -0.0844319 0.7279184 -1.4304417 -0.0103820 0.3565682 0.1628497 -0.8557519 8 Se -1.8182640 -0.4874444 -0.0844319 -0.7279184 -1.4304417 0.0103820 0.3565682 -0.1628497 -0.8557519 9 Se -1.2694037 -0.7541165 0.1303465 -0.4576825 -2.2182081 -0.3300520 0.3376259 -0.4404467 -0.6389801 10 Se -1.2694037 0.7541165 0.1303465 0.4576825 -2.2182081 0.3300520 0.3376259 0.4404467 -0.6389801 11 Se -1.2694037 -0.7541165 0.1303465 -0.4576825 -2.2182081 -0.3300520 0.3376259 -0.4404467 -0.6389801 12 Se -1.2694037 0.7541165 0.1303465 0.4576825 -2.2182081 0.3300520 0.3376259 0.4404467 -0.6389801 13 Se -2.0424194 0.2923741 -0.1305703 0.1383357 -1.7771733 -0.5915482 -0.0883661 -0.4639135 -0.7172023 14 Se -2.0424194 -0.2923741 -0.1305703 -0.1383357 -1.7771733 0.5915482 -0.0883661 0.4639135 -0.7172023 15 Se -2.0424194 0.2923741 -0.1305703 0.1383357 -1.7771733 -0.5915482 -0.0883661 -0.4639135 -0.7172023 16 Se -2.0424194 -0.2923741 -0.1305703 -0.1383357 -1.7771733 0.5915482 -0.0883661 0.4639135 -0.7172023 17 Hg 3.1031369 -0.2861458 -0.0277421 0.5847205 2.9092939 -0.2263737 0.0707702 -0.2066366 1.5991922 18 Hg 3.1031369 0.2861458 -0.0277421 -0.5847205 2.9092939 0.2263737 0.0707702 0.2066366 1.5991922 19 Hg 3.1031369 -0.2861458 -0.0277421 0.5847205 2.9092939 -0.2263737 0.0707702 -0.2066366 1.5991922 20 Hg 3.1031369 0.2861458 -0.0277421 -0.5847205 2.9092939 0.2263737 0.0707702 0.2066366 1.5991922 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 4 ] 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: 0.52, Number of G-points: 303, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/95) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 95 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 0.387 ( 0.000 0.000 0.000) 0.000 0.480 ( 0.000 0.000 0.000) 0.000 0.495 ( 0.000 0.000 0.000) 0.000 0.547 ( 0.000 0.000 0.000) 0.000 0.872 ( 0.000 0.000 0.000) 0.000 1.016 ( 0.000 0.000 0.000) 0.000 1.102 ( 0.000 0.000 0.000) 0.000 1.270 ( 0.000 0.000 0.000) 0.000 1.457 ( 0.000 0.000 0.000) 0.000 1.487 ( 0.000 0.000 0.000) 0.000 1.570 ( 0.000 0.000 0.000) 0.000 1.718 ( 0.000 0.000 0.000) 0.000 1.752 ( 0.000 0.000 0.000) 0.000 2.074 ( 0.000 0.000 0.000) 0.000 2.086 ( 0.000 0.000 0.000) 0.000 2.305 ( 0.000 0.000 0.000) 0.000 2.322 ( 0.000 0.000 0.000) 0.000 2.366 ( 0.000 0.000 0.000) 0.000 2.396 ( 0.000 0.000 0.000) 0.000 2.691 ( 0.000 0.000 0.000) 0.000 2.700 ( 0.000 0.000 0.000) 0.000 2.959 ( 0.000 0.000 0.000) 0.000 2.963 ( 0.000 0.000 0.000) 0.000 3.180 ( 0.000 0.000 0.000) 0.000 3.309 ( 0.000 0.000 0.000) 0.000 3.532 ( 0.000 0.000 0.000) 0.000 3.584 ( 0.000 0.000 0.000) 0.000 3.881 ( 0.000 0.000 0.000) 0.000 3.920 ( 0.000 0.000 0.000) 0.000 3.954 ( 0.000 0.000 0.000) 0.000 4.004 ( 0.000 0.000 0.000) 0.000 4.206 ( 0.000 0.000 0.000) 0.000 4.232 ( 0.000 0.000 0.000) 0.000 4.350 ( 0.000 0.000 0.000) 0.000 4.375 ( 0.000 0.000 0.000) 0.000 4.736 ( 0.000 0.000 0.000) 0.000 4.753 ( 0.000 0.000 0.000) 0.000 4.770 ( 0.000 0.000 0.000) 0.000 4.910 ( 0.000 0.000 0.000) 0.000 5.331 ( 0.000 0.000 0.000) 0.000 5.341 ( 0.000 0.000 0.000) 0.000 5.380 ( 0.000 0.000 0.000) 0.000 5.395 ( 0.000 0.000 0.000) 0.000 5.909 ( 0.000 0.000 0.000) 0.000 5.943 ( 0.000 0.000 0.000) 0.000 8.467 ( 0.000 0.000 0.000) 0.000 8.483 ( 0.000 0.000 0.000) 0.000 12.267 ( 0.000 0.000 0.000) 0.000 12.301 ( 0.000 0.000 0.000) 0.000 12.552 ( 0.000 0.000 0.000) 0.000 12.587 ( 0.000 0.000 0.000) 0.000 12.638 ( 0.000 0.000 0.000) 0.000 12.763 ( 0.000 0.000 0.000) 0.000 12.887 ( 0.000 0.000 0.000) 0.000 12.988 ( 0.000 0.000 0.000) 0.000 13.134 ( 0.000 0.000 0.000) 0.000 13.186 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/95) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.141 ( 3.455 -7.330 10.081) 12.934 0.342 ( 11.688 -7.815 0.545) 14.071 0.412 ( -1.118 2.639 -1.590) 3.278 0.553 ( 12.366 2.919 -0.995) 12.745 0.576 ( 4.275 -3.757 1.510) 5.888 0.626 ( 17.305 -17.405 0.806) 24.557 0.759 ( 15.732 -15.762 -0.189) 22.271 0.825 ( -1.145 -1.434 -1.490) 2.364 0.992 ( -0.991 1.603 2.166) 2.871 1.163 ( 5.537 1.258 -0.196) 5.682 1.324 ( 4.083 -1.368 0.566) 4.343 1.437 ( 0.797 2.943 -0.257) 3.060 1.491 ( -1.153 -2.862 0.149) 3.089 1.610 ( 0.515 -4.249 -0.929) 4.380 1.783 ( 4.545 1.208 0.909) 4.789 1.893 ( 4.363 0.834 -2.185) 4.950 2.104 ( 3.254 0.939 -0.380) 3.408 2.115 ( 3.405 0.622 0.452) 3.491 2.272 ( -0.921 3.564 0.330) 3.696 2.316 ( 1.274 1.984 -0.146) 2.362 2.390 ( -2.194 -2.580 -0.111) 3.389 2.419 ( 0.018 -3.410 -0.220) 3.417 2.671 ( -1.989 0.681 -0.470) 2.154 2.698 ( -3.133 -1.566 0.537) 3.544 2.944 ( -0.273 2.111 0.557) 2.200 2.983 ( 0.745 1.858 -1.789) 2.685 3.227 ( 3.430 -2.803 0.372) 4.445 3.342 ( 3.000 -1.035 -0.570) 3.225 3.542 ( 0.638 -0.864 0.093) 1.078 3.579 ( -0.894 -0.635 0.130) 1.105 3.849 ( -2.928 0.421 0.072) 2.959 3.898 ( -4.020 -3.308 0.741) 5.259 3.955 ( 0.276 2.801 -0.788) 2.923 4.033 ( 1.301 -3.716 -0.126) 3.939 4.167 ( -4.321 -1.205 0.220) 4.492 4.203 ( -3.046 -1.087 -0.322) 3.250 4.387 ( 2.784 2.627 0.095) 3.829 4.468 ( 3.008 0.573 -1.193) 3.286 4.721 ( -1.102 1.640 -0.588) 2.061 4.753 ( -0.847 0.371 0.892) 1.285 4.825 ( 2.279 3.294 1.868) 4.420 4.923 ( 0.540 0.324 0.225) 0.669 5.330 ( -0.380 0.990 0.004) 1.060 5.371 ( -0.629 0.441 -0.238) 0.804 5.392 ( -0.272 0.158 0.188) 0.367 5.430 ( -2.118 -3.568 -1.452) 4.396 5.901 ( -0.783 0.395 -0.113) 0.884 5.936 ( -0.550 0.187 0.084) 0.587 8.490 ( 0.727 0.224 -0.276) 0.809 8.506 ( 1.947 1.447 2.080) 3.196 12.299 ( 2.049 1.695 -0.115) 2.662 12.396 ( 1.493 -3.402 -1.554) 4.027 12.584 ( 2.279 -1.036 0.716) 2.604 12.602 ( 1.145 -1.413 -1.055) 2.103 12.654 ( 0.771 -2.375 -1.152) 2.750 12.751 ( -1.561 -0.529 1.190) 2.033 12.959 ( 5.886 2.217 -1.640) 6.500 13.101 ( -1.789 -8.103 -1.191) 8.383 13.178 ( 3.836 -1.868 -1.461) 4.510 13.214 ( 2.058 -1.676 0.578) 2.716 ======================= Grid point 2 (3/95) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.309 ( 4.887 -6.213 8.093) 11.313 0.374 ( -0.178 -2.043 -2.970) 3.609 0.505 ( 2.966 0.545 -0.369) 3.038 0.656 ( 3.545 -6.853 -0.123) 7.716 0.737 ( 2.319 0.222 -0.439) 2.371 0.830 ( 11.284 -1.772 -0.528) 11.434 0.970 ( 2.168 -0.291 4.029) 4.585 1.102 ( 8.263 -6.158 -2.590) 10.626 1.121 ( 9.013 -9.582 -0.527) 13.165 1.266 ( 8.423 -0.535 0.604) 8.462 1.423 ( 4.612 -1.405 0.099) 4.823 1.462 ( 3.074 -2.334 -0.497) 3.892 1.508 ( -0.026 -3.401 0.374) 3.422 1.643 ( 0.032 -2.458 -0.657) 2.545 1.880 ( 7.606 1.037 -0.067) 7.676 1.965 ( 3.619 0.057 0.922) 3.735 2.146 ( 4.245 2.945 -0.571) 5.198 2.172 ( 3.545 0.396 -0.193) 3.572 2.247 ( 1.021 0.332 -0.291) 1.112 2.292 ( -0.667 3.363 -0.596) 3.480 2.400 ( -0.591 -1.822 0.784) 2.070 2.434 ( -0.126 -2.932 -0.369) 2.958 2.619 ( -3.203 -0.308 -0.551) 3.265 2.653 ( -2.911 0.361 0.512) 2.978 2.932 ( 1.214 1.632 0.580) 2.115 2.990 ( 3.071 1.875 -0.672) 3.660 3.328 ( 4.215 -2.236 0.570) 4.805 3.411 ( 3.237 -1.402 -0.735) 3.603 3.545 ( -4.319 -1.987 0.045) 4.754 3.587 ( 0.799 -3.940 0.058) 4.021 3.799 ( -1.951 -0.744 0.426) 2.131 3.837 ( -4.796 -0.599 -0.457) 4.855 3.936 ( 0.244 0.801 0.170) 0.855 4.087 ( 0.064 -3.463 -0.490) 3.498 4.119 ( -2.767 -2.600 0.800) 3.880 4.181 ( 0.195 -0.996 -0.408) 1.094 4.405 ( 1.800 1.787 0.074) 2.537 4.511 ( 2.393 0.262 -0.375) 2.436 4.672 ( -1.414 2.534 -0.178) 2.908 4.745 ( -0.845 -0.864 0.243) 1.232 4.830 ( 0.824 1.982 0.462) 2.196 4.921 ( 0.001 1.443 -0.052) 1.444 5.295 ( -1.925 2.139 0.035) 2.878 5.353 ( -0.930 0.599 -0.093) 1.110 5.381 ( -0.804 0.404 0.098) 0.905 5.417 ( -1.774 -0.991 -0.439) 2.079 5.873 ( -1.282 1.152 -0.135) 1.729 5.924 ( -0.774 -0.055 0.094) 0.782 8.495 ( 0.946 1.346 0.062) 1.646 8.548 ( 3.014 -0.229 0.256) 3.034 12.332 ( 2.733 0.011 0.138) 2.737 12.459 ( 1.703 -3.446 -0.270) 3.854 12.621 ( 0.154 -3.003 -0.479) 3.045 12.652 ( 2.786 -0.430 -0.495) 2.862 12.690 ( -0.202 -1.352 0.456) 1.441 12.752 ( 0.492 -3.915 0.411) 3.967 13.052 ( 6.204 0.386 -0.266) 6.221 13.160 ( 2.620 -2.336 -0.364) 3.529 13.271 ( 4.390 -1.959 -0.608) 4.846 13.288 ( 3.935 -2.348 0.415) 4.601 ======================= Grid point 3 (4/95) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.420 ( 2.473 -3.451 -2.389) 4.872 0.460 ( 4.567 -3.608 5.990) 8.352 0.525 ( 1.345 0.691 -0.531) 1.603 0.722 ( -1.564 -3.442 -1.821) 4.196 0.802 ( 3.966 -2.394 -0.119) 4.634 1.011 ( 4.387 0.491 0.780) 4.482 1.036 ( 6.988 0.979 2.494) 7.485 1.152 ( 1.779 -1.088 -2.610) 3.341 1.305 ( 1.361 -2.416 0.672) 2.853 1.335 ( 1.217 -0.401 -0.822) 1.522 1.502 ( -1.028 -3.107 -0.193) 3.279 1.520 ( 1.886 -2.541 0.765) 3.255 1.551 ( 0.338 -0.659 -0.232) 0.776 1.694 ( 2.871 -3.753 -0.100) 4.726 1.944 ( 3.199 5.916 0.191) 6.728 2.054 ( 6.840 -0.068 0.246) 6.844 2.161 ( 2.786 4.953 -0.060) 5.683 2.215 ( 0.354 4.861 -0.231) 4.880 2.264 ( 0.631 -3.655 -0.950) 3.829 2.319 ( 2.481 -5.175 -0.444) 5.757 2.416 ( 2.640 0.320 0.619) 2.730 2.472 ( 1.568 0.980 0.790) 2.010 2.587 ( -0.303 -1.610 -1.221) 2.043 2.612 ( -2.021 -3.156 0.689) 3.810 2.963 ( 4.022 1.595 0.575) 4.365 3.047 ( 4.514 0.541 -0.382) 4.563 3.369 ( -3.409 -1.373 -0.658) 3.734 3.414 ( -5.674 -0.122 0.575) 5.704 3.498 ( -0.014 -3.649 0.212) 3.655 3.625 ( -2.148 -3.220 -0.334) 3.885 3.801 ( 2.815 0.094 0.181) 2.822 3.830 ( 1.631 -3.171 -0.268) 3.576 3.944 ( 1.291 0.598 0.114) 1.427 4.091 ( -1.385 -2.210 -0.156) 2.613 4.142 ( 0.790 -3.050 0.501) 3.190 4.219 ( 2.643 -0.409 -0.323) 2.694 4.409 ( 0.234 1.281 0.044) 1.303 4.541 ( 1.421 0.111 -0.110) 1.429 4.641 ( -0.279 0.099 -0.039) 0.298 4.740 ( -0.923 -1.280 0.140) 1.584 4.817 ( -0.328 1.707 0.275) 1.760 4.893 ( -1.244 2.122 -0.291) 2.477 5.230 ( -2.600 2.519 0.031) 3.621 5.323 ( -1.526 1.159 0.020) 1.916 5.361 ( -0.804 0.619 0.036) 1.015 5.389 ( -1.783 0.052 -0.132) 1.789 5.841 ( -1.020 1.139 -0.105) 1.533 5.910 ( -0.873 0.063 0.067) 0.878 8.497 ( 0.775 1.259 0.052) 1.479 8.605 ( 2.704 -0.636 -0.009) 2.778 12.387 ( 2.856 -0.712 0.148) 2.947 12.509 ( 0.775 -2.635 -0.805) 2.862 12.646 ( -1.917 -0.534 1.121) 2.284 12.663 ( 0.865 -0.955 0.196) 1.303 12.717 ( 1.639 -1.871 -0.826) 2.621 12.827 ( 1.831 -4.680 0.141) 5.027 13.150 ( 5.174 0.338 0.744) 5.239 13.220 ( 2.641 -0.464 -1.107) 2.901 13.354 ( 3.255 -1.541 0.561) 3.645 13.379 ( 3.843 -1.571 -0.334) 4.165 ======================= Grid point 4 (5/95) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.484 ( 1.644 -2.038 -1.190) 2.876 0.531 ( 0.361 0.212 -0.347) 0.544 0.571 ( 3.240 -1.040 3.946) 5.210 0.697 ( -2.254 -0.406 -2.178) 3.160 0.875 ( 1.673 -1.932 -0.061) 2.557 1.008 ( -0.646 1.762 0.630) 1.980 1.137 ( 3.371 0.507 0.094) 3.410 1.215 ( 2.422 -1.757 -0.677) 3.068 1.272 ( -0.685 2.223 0.423) 2.364 1.364 ( -0.613 -1.930 -0.175) 2.032 1.491 ( -1.669 0.601 0.193) 1.784 1.521 ( -0.726 -1.052 -0.212) 1.295 1.572 ( 0.233 -1.068 0.084) 1.096 1.749 ( -0.200 -1.826 0.007) 1.837 1.966 ( 3.878 2.583 0.160) 4.662 2.118 ( 1.616 1.249 -0.196) 2.052 2.162 ( -0.704 2.144 -0.425) 2.296 2.176 ( 1.942 1.943 0.388) 2.775 2.296 ( 0.161 -1.392 -0.210) 1.417 2.378 ( 0.427 -2.880 -1.075) 3.104 2.435 ( -1.424 0.918 1.335) 2.157 2.467 ( 0.845 1.462 0.161) 1.696 2.617 ( 1.517 -1.942 -0.342) 2.488 2.681 ( 2.719 -2.671 0.027) 3.811 3.031 ( 5.066 1.650 0.373) 5.341 3.095 ( -0.162 0.144 0.035) 0.219 3.264 ( -4.333 -0.653 -0.983) 4.491 3.349 ( -3.794 -1.479 0.565) 4.111 3.542 ( 1.138 -1.224 0.492) 1.742 3.604 ( -1.080 -0.028 -0.445) 1.169 3.870 ( 2.492 -0.976 0.264) 2.689 3.881 ( 0.604 -1.955 -0.306) 2.068 3.961 ( 1.170 0.812 0.015) 1.424 4.094 ( -0.391 -1.061 -0.023) 1.131 4.181 ( 0.784 -1.117 0.208) 1.381 4.260 ( 1.498 -0.175 -0.177) 1.519 4.393 ( -0.440 0.924 0.025) 1.024 4.557 ( 0.531 -0.056 -0.016) 0.534 4.656 ( 0.597 -1.338 -0.044) 1.466 4.748 ( 0.135 -1.848 0.112) 1.856 4.789 ( -0.872 1.620 0.263) 1.859 4.843 ( -1.392 1.883 -0.333) 2.366 5.175 ( -1.235 1.181 0.024) 1.709 5.289 ( -0.873 0.691 0.014) 1.113 5.348 ( 0.027 0.408 0.026) 0.409 5.361 ( -1.145 0.067 -0.042) 1.148 5.820 ( -0.375 0.460 -0.044) 0.595 5.897 ( -0.414 0.086 0.027) 0.424 8.498 ( 0.287 0.502 0.018) 0.579 8.644 ( 1.085 -0.308 -0.016) 1.128 12.432 ( 1.357 -0.349 0.000) 1.401 12.539 ( 0.361 -1.881 -0.527) 1.987 12.605 ( -1.343 1.416 0.606) 2.043 12.693 ( 0.512 -1.003 0.339) 1.176 12.751 ( 0.661 -0.957 -0.536) 1.281 12.885 ( 0.716 -1.960 0.127) 2.091 13.219 ( 2.974 0.603 1.169) 3.252 13.245 ( 0.020 -0.366 -1.315) 1.365 13.408 ( 1.423 -0.499 0.284) 1.535 13.436 ( 1.419 -0.565 -0.163) 1.536 ======================= Grid point 10 (6/95) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.265 ( 8.533 0.000 7.851) 11.595 0.340 ( -0.853 -0.000 -2.782) 2.910 0.552 ( -0.178 -0.000 -0.674) 0.697 0.590 ( 8.576 0.000 2.534) 8.942 0.757 ( 2.190 0.000 -0.355) 2.219 0.766 ( 12.097 0.000 -1.611) 12.204 0.953 ( 11.094 0.000 3.516) 11.638 1.009 ( 15.017 0.000 -0.743) 15.036 1.033 ( 9.194 0.000 -0.521) 9.208 1.276 ( 6.227 0.000 -0.038) 6.228 1.398 ( 5.923 0.000 -0.388) 5.936 1.467 ( 0.366 0.000 0.141) 0.392 1.479 ( 1.822 0.000 -0.474) 1.883 1.594 ( 0.986 0.000 -0.491) 1.102 1.896 ( 7.112 0.000 2.593) 7.570 1.950 ( 4.230 0.000 -2.367) 4.847 2.159 ( 1.932 0.000 -1.291) 2.324 2.190 ( 3.655 0.000 1.096) 3.816 2.281 ( -0.271 -0.000 -0.180) 0.325 2.327 ( -1.705 -0.000 0.788) 1.878 2.364 ( 2.027 0.000 -2.187) 2.982 2.397 ( 0.759 0.000 0.759) 1.073 2.628 ( -3.135 -0.000 -0.842) 3.246 2.653 ( -2.318 -0.000 0.797) 2.451 2.957 ( 0.237 0.000 1.185) 1.208 3.006 ( 1.781 0.000 -1.181) 2.137 3.298 ( 5.993 0.000 0.473) 6.012 3.403 ( 4.160 0.000 -0.902) 4.257 3.531 ( -1.894 -0.000 0.069) 1.896 3.536 ( -3.944 -0.000 0.366) 3.961 3.798 ( -2.747 -0.000 -1.215) 3.004 3.813 ( -3.009 -0.000 1.522) 3.372 3.992 ( -1.150 -0.000 1.249) 1.698 4.003 ( 1.639 0.000 -1.858) 2.477 4.097 ( -2.566 -0.000 0.635) 2.643 4.168 ( -0.076 -0.000 -0.317) 0.326 4.447 ( 2.187 0.000 0.194) 2.196 4.500 ( 1.306 0.000 -0.742) 1.502 4.708 ( -1.157 -0.000 -0.700) 1.352 4.729 ( -2.036 -0.000 0.450) 2.085 4.854 ( -0.200 -0.000 1.152) 1.169 4.934 ( 0.074 0.000 -0.179) 0.194 5.333 ( -1.144 -0.000 0.652) 1.316 5.360 ( -0.730 -0.000 -0.177) 0.751 5.374 ( -1.449 -0.000 -0.566) 1.556 5.396 ( -0.613 -0.000 -0.492) 0.786 5.888 ( -0.973 -0.000 -0.217) 0.997 5.921 ( -1.104 -0.000 0.169) 1.117 8.512 ( 1.538 0.000 -0.189) 1.550 8.544 ( 1.796 0.000 0.719) 1.935 12.373 ( 3.117 0.000 2.922) 4.272 12.386 ( 2.019 0.000 -2.877) 3.515 12.581 ( -0.914 -0.000 -2.023) 2.220 12.645 ( 4.073 0.000 1.294) 4.273 12.671 ( 2.391 0.000 -1.541) 2.845 12.723 ( -1.763 -0.000 1.663) 2.423 13.084 ( 4.458 0.000 2.601) 5.161 13.104 ( 6.924 0.000 -3.842) 7.919 13.257 ( 5.945 0.000 -1.005) 6.029 13.258 ( 3.528 0.000 1.075) 3.688 ======================= Grid point 11 (7/95) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.363 ( 3.059 -1.910 -2.526) 4.403 0.429 ( 7.366 -0.226 6.015) 9.512 0.546 ( 0.863 0.733 -0.886) 1.437 0.658 ( 1.033 -1.496 -1.309) 2.240 0.836 ( 7.700 4.897 0.065) 9.126 0.988 ( 8.722 -4.639 -0.444) 9.889 1.031 ( 2.770 -0.358 4.822) 5.572 1.159 ( 2.242 -1.225 -2.733) 3.741 1.202 ( 5.854 -0.718 -1.668) 6.129 1.367 ( 2.766 -0.598 1.208) 3.076 1.481 ( 2.519 1.180 -0.107) 2.783 1.502 ( 2.432 0.846 0.182) 2.582 1.533 ( 4.187 -0.786 -0.211) 4.265 1.627 ( 0.848 -3.089 -0.092) 3.205 2.018 ( 5.347 1.788 -0.574) 5.667 2.045 ( 6.376 -0.435 1.551) 6.576 2.159 ( -2.299 -2.838 -1.700) 4.028 2.231 ( 0.276 -2.771 0.413) 2.815 2.266 ( 2.387 4.360 0.247) 4.977 2.314 ( 0.678 1.881 -0.789) 2.150 2.422 ( 2.803 -0.742 1.017) 3.073 2.445 ( 4.082 -2.023 -0.427) 4.576 2.576 ( -0.986 1.081 -0.526) 1.555 2.618 ( -1.345 1.183 0.040) 1.792 2.979 ( 3.032 0.461 0.894) 3.194 3.050 ( 3.364 -0.367 -0.563) 3.430 3.365 ( -3.777 1.112 -0.446) 3.962 3.411 ( -5.058 -2.458 0.697) 5.667 3.457 ( 2.022 1.801 -0.419) 2.740 3.548 ( 1.797 -4.039 -0.027) 4.421 3.784 ( 0.998 -1.203 -0.796) 1.755 3.805 ( 1.294 -0.269 0.753) 1.521 3.965 ( 0.856 2.371 0.411) 2.554 4.057 ( 1.327 -4.048 -0.950) 4.364 4.082 ( 0.169 0.065 0.753) 0.774 4.198 ( 2.515 -1.427 -0.094) 2.893 4.456 ( 0.972 3.052 0.016) 3.204 4.524 ( 0.446 -1.789 -0.182) 1.853 4.666 ( -1.661 2.010 -0.142) 2.611 4.708 ( -1.769 -1.873 0.119) 2.579 4.843 ( -0.774 0.793 0.402) 1.179 4.919 ( -1.373 0.598 -0.210) 1.512 5.287 ( -2.160 2.896 0.179) 3.618 5.342 ( -1.106 0.659 0.009) 1.288 5.352 ( -2.059 -1.566 -0.081) 2.588 5.380 ( -1.495 -0.475 -0.235) 1.586 5.864 ( -1.046 0.999 -0.239) 1.466 5.904 ( -1.182 -0.485 0.179) 1.290 8.529 ( 1.134 1.587 0.153) 1.957 8.583 ( 1.870 -1.295 -0.069) 2.276 12.399 ( 3.076 1.989 -0.240) 3.671 12.458 ( 1.930 -2.721 0.474) 3.370 12.575 ( -0.524 -2.906 -0.875) 3.080 12.688 ( -0.514 1.337 0.673) 1.583 12.704 ( 2.586 0.137 -0.583) 2.655 12.746 ( 3.141 -3.191 0.520) 4.507 13.167 ( 5.351 1.092 1.362) 5.628 13.210 ( 4.616 -0.646 -1.962) 5.057 13.331 ( 4.161 -0.677 1.045) 4.344 13.357 ( 5.066 -0.621 -0.715) 5.154 ======================= Grid point 12 (8/95) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.440 ( 3.565 -2.090 -1.652) 4.450 0.530 ( 2.510 -0.160 -0.054) 2.516 0.581 ( 4.202 1.259 4.002) 5.938 0.676 ( -0.180 -1.336 -2.565) 2.898 0.899 ( 5.264 4.577 0.115) 6.976 1.052 ( -0.970 2.254 1.294) 2.774 1.109 ( 0.818 -2.532 -0.089) 2.663 1.213 ( 5.666 -0.849 -0.892) 5.798 1.273 ( 0.577 -3.730 -0.693) 3.838 1.378 ( 0.752 5.444 0.585) 5.527 1.483 ( 0.136 -0.330 0.640) 0.732 1.533 ( 0.306 1.312 0.213) 1.364 1.553 ( 0.922 -0.563 -0.519) 1.199 1.681 ( 0.218 -4.481 -0.027) 4.486 2.013 ( -1.399 2.032 0.027) 2.468 2.102 ( -4.215 -2.271 -0.305) 4.798 2.164 ( 1.862 -1.139 0.443) 2.227 2.224 ( -3.427 1.535 -0.184) 3.760 2.288 ( 1.095 -1.280 0.990) 1.954 2.336 ( 3.999 1.596 -1.832) 4.679 2.442 ( -0.257 0.279 1.099) 1.162 2.555 ( 3.906 4.654 -0.027) 6.076 2.574 ( 2.350 -4.219 0.956) 4.923 2.635 ( 5.470 0.556 -1.460) 5.688 3.049 ( 4.017 0.217 0.099) 4.024 3.087 ( -2.246 -0.728 0.255) 2.375 3.268 ( -1.495 0.573 -1.639) 2.291 3.321 ( -3.544 -1.170 1.335) 3.964 3.538 ( 4.897 0.905 0.317) 4.990 3.604 ( 1.586 -0.297 -0.329) 1.647 3.829 ( 1.631 -2.483 -0.284) 2.984 3.857 ( 3.203 -0.730 0.190) 3.290 3.967 ( 0.212 0.344 0.232) 0.466 4.096 ( 2.505 1.533 -0.326) 2.955 4.119 ( 0.460 -4.399 0.352) 4.437 4.260 ( 2.615 -0.881 -0.107) 2.761 4.433 ( -0.100 2.928 -0.031) 2.930 4.543 ( -0.169 -1.505 -0.035) 1.515 4.637 ( -0.076 0.044 0.017) 0.090 4.705 ( -0.763 -2.317 0.093) 2.442 4.818 ( -1.101 1.095 0.264) 1.575 4.877 ( -2.181 1.222 -0.332) 2.522 5.219 ( -1.956 3.041 0.033) 3.616 5.309 ( -1.461 1.164 0.111) 1.871 5.335 ( -1.720 -1.739 -0.054) 2.447 5.356 ( -1.473 -0.463 -0.078) 1.546 5.837 ( -0.734 1.116 -0.173) 1.347 5.891 ( -0.939 -0.628 0.121) 1.136 8.523 ( 0.275 1.906 0.127) 1.930 8.623 ( 0.781 -1.692 -0.132) 1.868 12.433 ( 2.000 0.573 -0.472) 2.134 12.496 ( 0.660 -1.860 -0.623) 2.069 12.609 ( 0.143 -2.297 1.983) 3.038 12.672 ( 0.160 0.564 0.219) 0.626 12.743 ( 2.167 -0.176 -1.259) 2.512 12.834 ( 3.238 -2.671 0.196) 4.202 13.240 ( 3.757 1.230 1.102) 4.104 13.253 ( 0.953 0.838 -1.157) 1.718 13.404 ( 3.053 -0.051 0.483) 3.091 13.427 ( 2.525 -0.328 -0.490) 2.593 ======================= Grid point 13 (9/95) ======================= q-point: (-0.56 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.500 ( 1.956 -0.424 -0.233) 2.015 0.540 ( -0.139 1.294 -0.066) 1.303 0.613 ( -0.491 2.343 -3.136) 3.945 0.697 ( 3.055 -0.176 2.842) 4.176 0.935 ( 3.368 3.970 0.018) 5.206 1.002 ( -1.625 1.092 -0.315) 1.983 1.102 ( -3.725 -2.119 -0.351) 4.300 1.279 ( 0.173 2.893 -0.079) 2.899 1.302 ( 0.333 1.751 0.926) 2.008 1.333 ( 1.682 0.012 -0.156) 1.689 1.511 ( 2.106 1.611 -0.068) 2.652 1.533 ( 2.602 -0.271 0.347) 2.639 1.586 ( 1.840 0.254 -0.498) 1.923 1.723 ( 0.226 -4.398 -0.232) 4.410 1.939 ( -6.575 0.109 0.153) 6.578 2.046 ( -5.296 -4.298 0.271) 6.826 2.146 ( -3.419 0.203 -0.600) 3.477 2.156 ( -3.299 -0.307 0.835) 3.417 2.300 ( -1.297 -1.606 -0.002) 2.064 2.374 ( 1.048 -0.773 0.442) 1.376 2.445 ( 2.157 2.316 -0.064) 3.166 2.544 ( 3.059 6.393 -0.799) 7.132 2.657 ( 0.752 -0.742 1.680) 1.984 2.697 ( 1.791 1.108 -1.516) 2.595 2.997 ( -6.121 -1.487 -0.424) 6.313 3.079 ( -2.024 -1.377 -0.113) 2.450 3.296 ( 6.236 2.228 0.933) 6.688 3.373 ( 6.509 0.768 -0.446) 6.569 3.582 ( 1.797 2.812 -0.379) 3.358 3.618 ( 1.826 1.514 0.404) 2.406 3.874 ( 0.412 -1.387 -0.366) 1.493 3.894 ( 0.549 0.009 0.305) 0.628 3.951 ( -1.962 -0.079 0.086) 1.965 4.122 ( 1.419 1.355 -0.896) 2.157 4.154 ( -0.287 -2.569 1.227) 2.861 4.285 ( 0.507 1.387 -0.338) 1.514 4.403 ( -0.100 1.942 -0.028) 1.944 4.546 ( -1.077 -1.209 0.017) 1.619 4.659 ( 1.047 -1.082 0.032) 1.506 4.734 ( 1.001 -2.652 -0.048) 2.835 4.790 ( -0.711 1.087 0.294) 1.332 4.830 ( -1.459 0.659 -0.284) 1.627 5.177 ( -0.012 1.365 -0.006) 1.365 5.285 ( -0.174 0.252 0.059) 0.311 5.325 ( -1.372 -1.877 -0.051) 2.326 5.350 ( 0.044 -0.978 0.006) 0.979 5.821 ( -0.065 0.511 -0.071) 0.520 5.888 ( -0.207 -0.803 0.045) 0.831 8.505 ( -0.521 1.187 0.065) 1.298 8.634 ( -1.227 -1.224 -0.081) 1.736 12.443 ( -0.092 0.693 -0.543) 0.885 12.530 ( 1.139 -2.039 -0.456) 2.379 12.614 ( 0.239 1.541 1.370) 2.076 12.682 ( -0.431 -1.298 0.521) 1.464 12.774 ( 1.952 0.807 -0.544) 2.181 12.900 ( 2.408 -0.328 -0.340) 2.454 13.226 ( -2.296 1.260 -1.085) 2.835 13.269 ( 0.785 1.806 1.418) 2.427 13.425 ( -0.006 1.132 -0.345) 1.183 13.447 ( -0.007 0.540 0.028) 0.541 ======================= Grid point 14 (10/95) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.493 ( -1.091 3.609 1.836) 4.194 0.524 ( -0.491 1.079 -1.136) 1.642 0.549 ( -0.975 3.772 -4.024) 5.601 0.753 ( 2.189 0.919 2.447) 3.409 0.915 ( 0.318 6.478 0.126) 6.487 0.987 ( -0.625 -1.178 -1.930) 2.346 1.026 ( -6.447 0.159 0.190) 6.452 1.211 ( -2.852 4.163 1.038) 5.152 1.289 ( 1.386 1.476 0.337) 2.053 1.375 ( 0.415 -0.918 0.065) 1.009 1.545 ( 3.337 1.644 -0.014) 3.720 1.579 ( 3.118 2.910 0.513) 4.296 1.594 ( 0.612 2.859 -0.694) 3.005 1.771 ( -0.727 2.688 -0.227) 2.794 1.807 ( -6.389 -6.218 -0.438) 8.926 2.010 ( -4.741 -4.927 0.483) 6.854 2.074 ( -5.313 -2.248 -0.003) 5.769 2.132 ( -1.520 -3.116 0.624) 3.523 2.281 ( -2.658 -1.992 -0.445) 3.351 2.399 ( 1.070 1.959 2.049) 3.030 2.448 ( -0.928 1.024 -0.761) 1.578 2.495 ( -0.392 6.783 -1.443) 6.946 2.637 ( -0.274 3.006 1.091) 3.209 2.687 ( 1.121 3.058 -0.860) 3.368 2.922 ( -4.679 -1.994 -0.387) 5.101 3.032 ( -4.358 -1.195 0.197) 4.523 3.413 ( 6.269 2.967 0.876) 6.991 3.443 ( 4.056 2.821 -0.631) 4.981 3.566 ( 1.486 3.275 -0.362) 3.614 3.662 ( 4.813 0.862 0.375) 4.904 3.822 ( -4.630 1.766 -0.072) 4.956 3.885 ( -1.415 1.738 0.054) 2.242 3.934 ( -0.206 -0.169 -0.089) 0.281 4.113 ( -1.103 -1.390 -0.383) 1.816 4.175 ( 1.796 1.635 0.960) 2.612 4.253 ( -1.037 3.128 -0.483) 3.330 4.399 ( 0.492 0.166 -0.064) 0.523 4.527 ( -2.365 -1.085 0.046) 2.602 4.661 ( -0.618 1.378 0.098) 1.513 4.755 ( -0.192 -0.110 -0.491) 0.538 4.784 ( -0.074 -1.134 0.008) 1.136 4.841 ( 0.843 -2.773 0.387) 2.924 5.196 ( 2.307 -0.879 -0.027) 2.469 5.301 ( 1.393 -0.955 0.035) 1.690 5.332 ( -0.129 -2.263 -0.036) 2.266 5.372 ( 1.026 -1.463 0.018) 1.787 5.826 ( 0.779 -0.312 0.023) 0.839 5.900 ( 0.513 -0.922 -0.022) 1.055 8.485 ( -1.027 0.053 0.022) 1.029 8.605 ( -3.090 -0.609 -0.041) 3.149 12.416 ( -1.184 1.967 -0.319) 2.318 12.552 ( 0.091 0.968 0.350) 1.033 12.618 ( 0.884 -0.701 -0.043) 1.129 12.674 ( -1.577 -0.668 0.344) 1.747 12.783 ( 1.571 3.524 -0.017) 3.858 12.912 ( 0.685 3.537 -0.255) 3.611 13.156 ( -3.896 0.978 -1.116) 4.169 13.240 ( -2.221 1.748 1.535) 3.216 13.390 ( -1.867 2.026 -0.636) 2.828 13.414 ( -2.379 1.882 0.220) 3.041 ======================= Grid point 15 (11/95) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.437 ( -0.898 4.476 0.917) 4.657 0.450 ( -1.555 5.868 -4.283) 7.429 0.527 ( 0.912 1.933 0.146) 2.142 0.755 ( -1.579 1.983 1.116) 2.769 0.828 ( -1.603 8.542 -0.367) 8.698 0.883 ( -6.181 4.845 0.975) 7.913 0.974 ( -0.547 0.277 -2.368) 2.446 1.142 ( -1.957 1.861 2.055) 3.394 1.288 ( -1.613 1.325 -0.416) 2.128 1.328 ( -4.044 6.477 0.448) 7.649 1.518 ( -2.980 7.634 -0.907) 8.245 1.540 ( -4.103 4.820 0.861) 6.388 1.584 ( 2.865 4.097 -0.021) 4.999 1.673 ( -1.192 0.955 -0.040) 1.528 1.831 ( -3.907 -4.272 -0.321) 5.798 1.952 ( -3.709 -0.596 -0.226) 3.763 2.054 ( -1.789 -4.895 0.011) 5.211 2.149 ( -1.758 -4.133 0.535) 4.523 2.266 ( -2.143 -1.505 -0.137) 2.623 2.276 ( -5.310 5.719 0.473) 7.818 2.430 ( 0.609 2.407 0.783) 2.603 2.477 ( 2.176 1.510 -1.084) 2.862 2.643 ( 3.005 1.700 0.425) 3.479 2.679 ( 1.960 3.353 -0.559) 3.924 2.879 ( -2.861 -3.194 0.091) 4.288 2.969 ( -3.580 -0.450 0.085) 3.609 3.369 ( -3.486 2.351 -0.176) 4.208 3.463 ( -1.826 3.459 0.144) 3.914 3.596 ( 3.539 2.820 0.087) 4.526 3.671 ( -2.837 4.202 0.102) 5.071 3.803 ( 4.027 -0.754 -0.295) 4.107 3.849 ( 1.809 1.677 0.322) 2.488 3.942 ( 1.682 0.488 -0.181) 1.761 4.113 ( -1.095 -1.008 0.016) 1.489 4.195 ( 3.867 4.040 0.411) 5.608 4.210 ( 0.432 2.910 -0.336) 2.961 4.399 ( -0.573 0.401 -0.087) 0.704 4.490 ( -3.384 -1.485 0.161) 3.699 4.641 ( -0.165 -0.135 -0.101) 0.236 4.752 ( -0.151 -0.275 -0.312) 0.443 4.789 ( -1.492 -2.095 0.077) 2.573 4.878 ( -0.180 -2.845 0.182) 2.856 5.258 ( 2.888 -1.732 0.014) 3.367 5.337 ( 1.271 -1.089 -0.027) 1.674 5.358 ( 0.532 -1.915 0.068) 1.988 5.410 ( 1.510 -1.530 0.061) 2.151 5.852 ( 1.475 -0.889 0.072) 1.724 5.918 ( 0.495 -0.726 -0.057) 0.881 8.471 ( -1.112 -0.975 -0.052) 1.480 8.548 ( -3.739 -0.314 -0.038) 3.752 12.370 ( -0.942 3.248 -0.164) 3.386 12.520 ( -1.397 2.872 0.545) 3.240 12.638 ( -0.677 -1.587 -0.273) 1.747 12.646 ( -2.147 -0.033 0.107) 2.149 12.766 ( 2.083 5.537 -0.459) 5.934 12.857 ( -1.044 5.971 0.266) 6.068 13.071 ( -4.304 1.929 0.256) 4.723 13.188 ( -1.785 0.931 -0.179) 2.022 13.322 ( -3.282 2.991 0.919) 4.535 13.342 ( -2.680 2.985 -0.699) 4.072 ======================= Grid point 16 (12/95) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.322 ( -2.904 8.087 -4.611) 9.752 0.418 ( 1.169 2.261 1.516) 2.963 0.521 ( 1.436 4.973 -0.274) 5.183 0.602 ( -7.211 8.930 0.679) 11.498 0.702 ( -2.448 9.942 -0.661) 10.260 0.828 ( 2.427 1.842 1.102) 3.240 0.978 ( 2.993 1.827 -0.926) 3.627 1.061 ( -7.630 15.698 0.964) 17.481 1.090 ( -7.352 14.155 -0.171) 15.951 1.155 ( -5.938 4.230 -0.383) 7.300 1.379 ( -4.423 5.006 -0.674) 6.714 1.428 ( -2.236 2.478 0.734) 3.417 1.578 ( 1.734 5.208 0.129) 5.491 1.671 ( 0.641 1.647 0.093) 1.770 1.765 ( -3.971 -0.744 0.491) 4.070 1.898 ( -4.215 0.838 -0.534) 4.331 2.059 ( -2.696 -2.574 -0.535) 3.765 2.105 ( -2.590 -0.030 0.244) 2.602 2.204 ( -1.340 -3.025 0.941) 3.440 2.282 ( 0.376 -1.246 -0.597) 1.432 2.447 ( 2.040 1.353 0.578) 2.515 2.477 ( 0.684 3.105 -0.459) 3.212 2.672 ( 1.507 1.331 0.386) 2.048 2.709 ( 3.866 0.117 -0.357) 3.884 2.890 ( -0.415 -4.366 0.151) 4.388 2.926 ( -2.269 -1.236 0.256) 2.596 3.291 ( -2.599 2.770 -0.423) 3.822 3.372 ( -3.583 2.154 0.452) 4.205 3.571 ( -1.991 1.941 0.008) 2.780 3.608 ( -0.256 2.424 0.053) 2.439 3.858 ( 2.908 1.085 -0.525) 3.148 3.910 ( 2.494 -1.191 0.513) 2.811 3.973 ( 3.397 2.986 -0.222) 4.528 4.082 ( -2.308 1.022 0.109) 2.526 4.217 ( 4.062 3.515 -0.472) 5.392 4.238 ( 3.980 2.586 0.551) 4.778 4.367 ( -1.998 0.833 0.002) 2.165 4.445 ( -3.597 -1.609 0.376) 3.958 4.665 ( 1.016 -2.746 -0.561) 2.982 4.753 ( -0.048 -0.403 -0.392) 0.564 4.774 ( -2.665 -2.403 0.387) 3.609 4.893 ( -0.897 -2.491 -0.109) 2.650 5.317 ( 2.262 -1.006 0.046) 2.476 5.361 ( 0.525 -0.601 -0.015) 0.798 5.379 ( -0.121 -1.274 0.126) 1.286 5.451 ( 1.684 -1.050 0.256) 2.001 5.888 ( 1.439 -0.802 0.093) 1.650 5.928 ( -0.039 -0.629 -0.071) 0.635 8.466 ( -1.046 -1.602 -0.410) 1.957 8.494 ( -2.482 -0.263 0.043) 2.496 12.330 ( 0.761 3.894 0.146) 3.970 12.453 ( -3.075 3.072 0.029) 4.347 12.605 ( -2.012 0.310 -0.264) 2.053 12.619 ( -1.846 0.337 0.263) 1.895 12.740 ( 0.488 5.755 0.436) 5.792 12.794 ( 0.810 4.386 -0.727) 4.519 12.978 ( -3.712 2.713 1.266) 4.768 13.174 ( 1.682 1.446 -1.470) 2.661 13.236 ( -2.865 3.002 2.185) 4.690 13.270 ( -1.520 3.650 -0.653) 4.007 ======================= Grid point 17 (13/95) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.189 ( 0.000 9.194 0.000) 9.194 0.353 ( 0.000 14.617 0.000) 14.617 0.468 ( 0.000 3.248 0.000) 3.248 0.501 ( 0.000 8.119 0.000) 8.119 0.548 ( 0.000 10.274 0.000) 10.274 0.706 ( 0.000 26.918 0.000) 26.918 0.798 ( 0.000 21.903 0.000) 21.903 0.865 ( -0.000 -0.814 -0.000) 0.814 1.023 ( 0.000 0.758 0.000) 0.758 1.101 ( 0.000 0.022 0.000) 0.022 1.289 ( 0.000 2.515 0.000) 2.515 1.414 ( -0.000 -1.576 -0.000) 1.576 1.543 ( 0.000 4.804 0.000) 4.804 1.647 ( 0.000 4.248 0.000) 4.248 1.729 ( 0.000 0.986 0.000) 0.986 1.823 ( 0.000 1.341 0.000) 1.341 2.047 ( -0.000 -2.479 -0.000) 2.479 2.090 ( 0.000 0.268 0.000) 0.268 2.233 ( -0.000 -4.604 -0.000) 4.604 2.296 ( -0.000 -0.997 -0.000) 0.997 2.438 ( 0.000 3.297 0.000) 3.297 2.449 ( 0.000 3.717 0.000) 3.717 2.682 ( -0.000 -0.474 -0.000) 0.474 2.765 ( -0.000 -0.633 -0.000) 0.633 2.922 ( -0.000 -2.636 -0.000) 2.636 2.944 ( -0.000 -5.825 -0.000) 5.825 3.230 ( 0.000 3.823 0.000) 3.823 3.329 ( 0.000 1.274 0.000) 1.274 3.541 ( 0.000 0.867 0.000) 0.867 3.592 ( 0.000 0.980 0.000) 0.980 3.875 ( 0.000 0.406 0.000) 0.406 3.939 ( -0.000 -0.949 -0.000) 0.949 3.978 ( 0.000 4.072 0.000) 4.072 4.033 ( 0.000 2.110 0.000) 2.110 4.233 ( 0.000 2.726 0.000) 2.726 4.253 ( 0.000 2.179 0.000) 2.179 4.346 ( -0.000 -0.296 -0.000) 0.296 4.416 ( -0.000 -0.903 -0.000) 0.903 4.701 ( -0.000 -2.449 -0.000) 2.449 4.755 ( -0.000 -1.501 -0.000) 1.501 4.763 ( -0.000 -0.113 -0.000) 0.113 4.906 ( -0.000 -2.047 -0.000) 2.047 5.342 ( 0.000 0.655 0.000) 0.655 5.372 ( -0.000 -0.769 -0.000) 0.769 5.386 ( -0.000 -1.007 -0.000) 1.007 5.486 ( -0.000 -1.363 -0.000) 1.363 5.906 ( -0.000 -0.210 -0.000) 0.210 5.934 ( -0.000 -0.823 -0.000) 0.823 8.459 ( -0.000 -0.825 -0.000) 0.825 8.481 ( -0.000 -0.585 -0.000) 0.585 12.312 ( 0.000 4.314 0.000) 4.314 12.382 ( 0.000 1.363 0.000) 1.363 12.582 ( 0.000 2.217 0.000) 2.217 12.589 ( -0.000 -0.022 -0.000) 0.022 12.687 ( 0.000 4.822 0.000) 4.822 12.778 ( 0.000 1.946 0.000) 1.946 12.915 ( 0.000 2.672 0.000) 2.672 13.160 ( 0.000 2.643 0.000) 2.643 13.217 ( 0.000 2.355 0.000) 2.355 13.237 ( -0.000 -0.174 -0.000) 0.174 ======================= Grid point 20 (14/95) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.417 ( 4.534 0.000 -2.055) 4.978 0.527 ( 2.803 0.000 0.199) 2.810 0.597 ( 4.515 0.000 4.669) 6.495 0.661 ( 0.713 0.000 -3.403) 3.477 1.000 ( 5.388 0.000 -0.001) 5.388 1.052 ( 2.813 0.000 1.329) 3.111 1.085 ( 2.099 0.000 2.705) 3.424 1.140 ( -1.994 -0.000 -2.833) 3.464 1.281 ( 5.418 0.000 -2.994) 6.190 1.405 ( 2.372 0.000 2.674) 3.575 1.522 ( 1.541 0.000 -0.246) 1.560 1.541 ( 1.344 0.000 0.249) 1.367 1.580 ( -2.897 -0.000 0.520) 2.943 1.589 ( 0.644 0.000 -0.453) 0.787 2.048 ( -2.818 -0.000 0.874) 2.951 2.058 ( -5.516 -0.000 -1.839) 5.815 2.155 ( 3.607 0.000 0.784) 3.691 2.236 ( 1.107 0.000 -0.168) 1.120 2.264 ( -3.128 -0.000 1.106) 3.318 2.370 ( 1.539 0.000 -1.721) 2.309 2.447 ( 2.381 0.000 1.004) 2.584 2.510 ( 4.318 0.000 0.833) 4.398 2.621 ( 4.870 0.000 -0.191) 4.874 2.643 ( 2.997 0.000 -1.273) 3.256 3.049 ( 3.852 0.000 -0.109) 3.854 3.077 ( -2.563 -0.000 0.502) 2.611 3.274 ( 0.197 0.000 -2.292) 2.301 3.309 ( -4.768 -0.000 2.050) 5.190 3.559 ( 6.592 0.000 0.074) 6.592 3.595 ( 4.103 0.000 -0.138) 4.106 3.804 ( 1.863 0.000 -0.764) 2.014 3.838 ( 2.155 0.000 0.776) 2.291 4.000 ( 0.817 0.000 0.619) 1.025 4.044 ( 0.317 0.000 -0.114) 0.337 4.123 ( 3.270 0.000 -0.605) 3.326 4.239 ( 3.181 0.000 0.197) 3.187 4.486 ( 0.072 0.000 -0.145) 0.162 4.506 ( -0.607 -0.000 0.055) 0.610 4.658 ( -0.997 -0.000 -0.232) 1.024 4.663 ( -1.112 -0.000 0.345) 1.164 4.829 ( -1.243 -0.000 0.214) 1.261 4.889 ( -2.228 -0.000 -0.255) 2.243 5.274 ( -1.768 -0.000 0.249) 1.786 5.294 ( -2.623 -0.000 -0.300) 2.640 5.325 ( -1.391 -0.000 0.268) 1.416 5.347 ( -1.908 -0.000 -0.231) 1.922 5.853 ( -0.804 -0.000 -0.426) 0.910 5.880 ( -1.215 -0.000 0.360) 1.268 8.555 ( 0.356 0.000 0.434) 0.561 8.593 ( 0.576 0.000 -0.441) 0.725 12.445 ( 1.395 0.000 -1.134) 1.797 12.476 ( 0.997 0.000 -0.178) 1.013 12.573 ( 2.115 0.000 1.992) 2.905 12.685 ( -0.530 -0.000 0.474) 0.711 12.742 ( 2.120 0.000 -1.550) 2.626 12.803 ( 4.528 0.000 0.459) 4.552 13.255 ( 3.840 0.000 1.371) 4.077 13.263 ( 1.638 0.000 -1.408) 2.160 13.403 ( 3.921 0.000 0.626) 3.970 13.424 ( 2.885 0.000 -0.677) 2.964 ======================= Grid point 21 (15/95) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.490 ( 3.872 -0.372 -1.008) 4.018 0.557 ( 1.040 0.377 -0.540) 1.231 0.646 ( -0.436 0.998 -4.041) 4.185 0.694 ( 4.395 -0.125 4.741) 6.466 1.023 ( -0.140 2.772 0.207) 2.783 1.052 ( 0.805 5.615 -0.295) 5.680 1.063 ( -2.941 -1.889 -0.288) 3.507 1.189 ( 1.061 -6.981 -0.012) 7.061 1.361 ( 5.008 4.194 -1.102) 6.624 1.464 ( 1.435 6.669 0.610) 6.848 1.481 ( 0.912 -2.635 0.803) 2.902 1.552 ( 1.065 1.145 0.019) 1.563 1.576 ( 1.607 -0.981 0.104) 1.886 1.614 ( -1.330 -6.070 -0.163) 6.216 1.950 ( -5.625 0.702 -0.983) 5.753 1.986 ( -5.256 -1.751 0.943) 5.620 2.153 ( -3.535 -0.085 0.411) 3.559 2.183 ( -2.836 3.545 0.231) 4.545 2.253 ( -2.270 -2.929 0.233) 3.713 2.365 ( -0.385 -0.632 -0.057) 0.742 2.493 ( 2.700 1.682 0.094) 3.182 2.596 ( 3.402 -2.478 0.961) 4.318 2.662 ( 2.853 4.531 -1.046) 5.455 2.721 ( 4.004 -0.201 -0.823) 4.093 2.978 ( -6.520 -0.398 -0.361) 6.542 3.051 ( -3.552 -1.099 -0.215) 3.724 3.336 ( 7.439 1.479 1.770) 7.788 3.375 ( 8.791 -0.394 -1.208) 8.882 3.641 ( 3.008 2.429 -0.324) 3.879 3.652 ( 3.578 1.425 0.338) 3.867 3.833 ( 0.879 -1.677 -0.259) 1.911 3.877 ( 0.410 -1.659 0.396) 1.754 3.979 ( -0.591 3.323 0.193) 3.381 4.069 ( -1.290 -4.413 0.110) 4.599 4.170 ( 3.380 1.650 -0.332) 3.776 4.294 ( 2.230 -0.305 0.068) 2.252 4.455 ( -0.742 2.937 -0.113) 3.031 4.511 ( -1.231 -2.339 0.042) 2.643 4.646 ( 0.922 0.441 0.010) 1.022 4.681 ( 0.963 -2.428 0.126) 2.615 4.805 ( -1.251 0.419 0.346) 1.364 4.846 ( -2.264 0.528 -0.451) 2.368 5.221 ( -1.243 2.847 -0.008) 3.107 5.278 ( -1.923 -2.749 0.011) 3.355 5.298 ( -0.861 0.971 0.042) 1.298 5.326 ( -0.939 -1.296 -0.041) 1.601 5.836 ( -0.341 0.870 -0.347) 0.997 5.869 ( -0.691 -0.951 0.290) 1.211 8.538 ( -1.005 1.793 0.238) 2.070 8.601 ( -1.001 -1.775 -0.269) 2.055 12.457 ( 0.665 0.618 -0.733) 1.166 12.495 ( 1.197 -1.238 -0.957) 1.970 12.622 ( 1.493 -0.458 2.880) 3.276 12.674 ( -0.648 0.345 0.034) 0.735 12.780 ( 2.772 -0.020 -0.580) 2.832 12.886 ( 4.532 -0.610 -0.613) 4.613 13.253 ( -1.786 0.973 -0.994) 2.264 13.300 ( 1.268 1.000 1.485) 2.194 13.445 ( 0.487 0.655 -0.776) 1.126 13.455 ( 1.362 0.168 0.290) 1.402 ======================= Grid point 22 (16/95) ======================= q-point: (-0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.540 ( 2.071 0.939 0.048) 2.275 0.550 ( -0.588 1.688 0.793) 1.956 0.603 ( -1.281 1.664 -4.712) 5.159 0.774 ( 3.717 1.131 3.357) 5.135 0.975 ( -1.709 0.619 -0.425) 1.867 1.000 ( -3.126 0.663 -1.453) 3.510 1.058 ( 2.347 4.056 0.401) 4.703 1.249 ( -0.502 -2.690 0.262) 2.749 1.343 ( -0.191 3.703 0.565) 3.751 1.399 ( 0.171 5.683 -0.118) 5.687 1.574 ( 3.274 0.588 -0.556) 3.373 1.582 ( 1.431 -4.265 0.245) 4.505 1.611 ( 2.551 -0.393 1.235) 2.861 1.675 ( 1.591 -4.549 -1.365) 5.009 1.844 ( -4.607 2.191 -0.687) 5.148 1.929 ( -3.553 -2.273 1.167) 4.377 2.080 ( -3.767 1.473 -0.434) 4.069 2.099 ( -2.932 1.550 1.114) 3.499 2.233 ( -2.792 -2.463 -0.268) 3.733 2.389 ( 1.640 -1.787 0.385) 2.456 2.502 ( 0.048 2.389 0.537) 2.449 2.617 ( -1.482 4.295 -1.269) 4.717 2.668 ( 2.053 0.841 0.872) 2.384 2.740 ( 0.986 2.482 -0.843) 2.801 2.895 ( -4.081 -0.911 -0.665) 4.234 2.999 ( -4.043 -1.995 0.355) 4.522 3.475 ( 9.413 3.023 0.901) 9.928 3.508 ( 5.782 2.926 -0.576) 6.506 3.630 ( 0.346 3.303 -0.397) 3.345 3.679 ( 2.560 1.151 0.391) 2.834 3.840 ( -3.345 -0.249 -0.014) 3.355 3.886 ( 0.064 -1.562 -0.062) 1.565 3.944 ( 0.041 1.712 0.088) 1.715 4.066 ( -2.747 -2.982 -0.045) 4.055 4.211 ( 3.181 1.751 0.444) 3.658 4.309 ( 0.681 2.032 -0.333) 2.168 4.420 ( -0.292 1.958 -0.101) 1.982 4.500 ( -2.402 -1.701 0.068) 2.944 4.668 ( 0.682 -0.482 0.176) 0.854 4.726 ( 0.568 -2.217 -0.469) 2.336 4.783 ( -1.040 0.278 0.631) 1.248 4.808 ( -1.215 -0.321 -0.329) 1.299 5.197 ( 0.862 0.922 -0.031) 1.262 5.278 ( -0.984 -2.727 0.096) 2.901 5.292 ( 0.765 -0.106 -0.060) 0.775 5.338 ( 0.348 -1.868 -0.014) 1.900 5.829 ( 0.452 0.545 -0.145) 0.723 5.877 ( 0.181 -1.334 0.104) 1.350 8.498 ( -1.864 1.083 0.097) 2.158 8.584 ( -2.802 -1.376 -0.120) 3.124 12.453 ( 0.457 1.639 -0.611) 1.808 12.535 ( 1.751 -1.687 -0.595) 2.503 12.633 ( -0.520 1.118 1.226) 1.739 12.658 ( -1.337 -0.655 0.548) 1.587 12.829 ( 3.371 1.233 0.340) 3.606 12.955 ( 3.550 1.010 -0.887) 3.796 13.186 ( -3.578 1.784 -1.392) 4.233 13.281 ( -2.383 1.937 2.262) 3.814 13.426 ( -0.784 1.429 -1.520) 2.229 13.449 ( -1.157 1.548 0.671) 2.046 ======================= Grid point 23 (17/95) ======================= q-point: (-0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( -1.065 3.104 1.399) 3.567 0.533 ( -1.235 2.677 -2.929) 4.155 0.565 ( 0.478 1.683 -1.285) 2.171 0.806 ( 1.769 2.952 2.019) 3.990 0.919 ( -3.289 2.744 -0.396) 4.301 0.972 ( 1.449 0.587 -1.690) 2.302 1.035 ( 0.446 6.694 0.845) 6.762 1.206 ( -2.505 3.802 0.661) 4.601 1.326 ( 0.077 1.819 -0.159) 1.828 1.368 ( -0.589 0.553 0.195) 0.831 1.606 ( 0.239 -2.323 0.383) 2.367 1.625 ( 0.573 1.349 1.149) 1.863 1.652 ( 1.841 3.483 0.564) 3.980 1.689 ( -1.866 1.247 -2.002) 3.008 1.774 ( -0.935 0.672 -0.985) 1.515 1.924 ( -0.550 -2.507 0.810) 2.691 2.020 ( 0.185 2.807 -0.314) 2.831 2.074 ( -1.163 -2.568 1.095) 3.024 2.217 ( -1.210 -2.518 -0.573) 2.851 2.399 ( -6.088 3.725 0.091) 7.138 2.454 ( 2.096 1.708 1.353) 3.024 2.546 ( -0.447 4.379 -1.616) 4.689 2.680 ( 2.350 1.944 0.629) 3.114 2.746 ( 2.052 2.739 -0.728) 3.499 2.838 ( -3.174 -0.898 0.077) 3.300 2.953 ( -3.121 -1.325 0.097) 3.392 3.438 ( -4.934 4.855 0.051) 6.922 3.540 ( -1.058 4.405 -0.088) 4.531 3.639 ( 2.792 1.261 0.132) 3.066 3.735 ( -1.749 1.883 0.054) 2.570 3.793 ( 4.264 0.174 -0.029) 4.267 3.881 ( 0.422 0.981 0.036) 1.068 3.949 ( 1.933 0.412 -0.211) 1.988 4.073 ( 0.056 -2.624 0.133) 2.628 4.238 ( 1.673 1.753 0.664) 2.513 4.298 ( 2.534 3.854 -0.581) 4.649 4.406 ( -0.096 0.564 -0.130) 0.587 4.463 ( -3.424 -1.140 0.133) 3.611 4.658 ( -1.172 1.162 0.070) 1.652 4.731 ( -1.407 -1.863 -0.564) 2.402 4.760 ( -1.806 -0.508 0.069) 1.877 4.820 ( -0.170 -2.671 0.412) 2.708 5.230 ( 2.453 -1.057 -0.024) 2.671 5.300 ( 0.155 -2.966 -0.043) 2.971 5.321 ( 1.491 -1.219 0.168) 1.933 5.369 ( 0.862 -2.281 -0.100) 2.440 5.842 ( 1.320 -0.137 -0.032) 1.327 5.897 ( 0.459 -1.314 0.013) 1.392 8.459 ( -1.995 -0.236 0.004) 2.009 8.537 ( -3.568 -0.734 -0.025) 3.643 12.438 ( 0.781 3.281 -0.439) 3.401 12.562 ( -0.011 0.835 0.045) 0.836 12.610 ( -1.059 -0.623 0.036) 1.229 12.640 ( -1.687 -0.345 0.727) 1.869 12.863 ( 3.270 3.815 -0.302) 5.034 12.964 ( 0.190 4.474 0.182) 4.481 13.111 ( -2.251 1.880 -1.139) 3.146 13.209 ( -3.518 1.374 1.210) 3.966 13.383 ( -1.862 3.012 0.203) 3.546 13.398 ( -1.873 2.583 -0.447) 3.222 ======================= Grid point 24 (18/95) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.445 ( -3.187 4.512 -2.938) 6.257 0.471 ( -0.498 3.169 1.080) 3.385 0.565 ( 1.007 1.243 -0.265) 1.621 0.793 ( 1.823 8.264 0.790) 8.499 0.845 ( -0.507 3.229 -0.128) 3.271 0.939 ( -1.983 9.466 0.610) 9.691 1.008 ( 3.881 1.404 -0.787) 4.202 1.137 ( -1.695 2.596 0.457) 3.134 1.284 ( -2.082 4.096 -0.210) 4.600 1.326 ( -2.229 4.521 0.049) 5.041 1.534 ( -2.841 9.137 0.222) 9.571 1.576 ( -1.524 10.832 0.883) 10.975 1.644 ( 1.431 -0.252 0.138) 1.460 1.680 ( 0.196 -0.207 -0.601) 0.665 1.739 ( -2.855 -1.362 -0.592) 3.218 1.920 ( -0.385 1.831 0.357) 1.905 2.033 ( 1.933 0.580 -0.784) 2.165 2.103 ( 0.450 -2.372 0.238) 2.426 2.199 ( -5.754 3.127 1.194) 6.657 2.260 ( -0.622 0.113 -0.856) 1.064 2.460 ( 0.385 1.063 0.886) 1.436 2.527 ( 1.356 1.903 -0.946) 2.521 2.713 ( 2.459 2.276 0.391) 3.373 2.737 ( 1.101 2.867 -0.669) 3.143 2.823 ( 0.109 -1.562 0.528) 1.652 2.920 ( -1.783 -0.029 -0.074) 1.785 3.327 ( -2.806 1.470 -0.112) 3.169 3.429 ( -6.001 3.224 0.080) 6.813 3.610 ( -2.695 1.925 -0.103) 3.314 3.668 ( -1.355 3.263 0.235) 3.541 3.875 ( 3.859 0.653 -0.346) 3.929 3.912 ( 2.630 1.238 0.166) 2.911 4.003 ( 3.838 0.275 0.002) 3.848 4.081 ( -1.177 -0.776 0.115) 1.415 4.260 ( 3.137 1.202 0.036) 3.360 4.322 ( 4.305 4.533 -0.067) 6.252 4.389 ( -2.024 0.577 0.020) 2.105 4.417 ( -2.454 -0.718 0.183) 2.563 4.634 ( -0.220 -0.233 -0.528) 0.618 4.724 ( -2.091 -2.603 0.669) 3.405 4.735 ( -1.617 -1.286 -0.512) 2.128 4.837 ( -0.981 -2.864 0.155) 3.031 5.287 ( 2.298 -1.859 0.031) 2.956 5.332 ( 0.179 -2.574 -0.318) 2.600 5.353 ( 0.483 -1.130 0.483) 1.321 5.410 ( 0.968 -2.688 -0.129) 2.860 5.873 ( 1.693 -0.653 0.029) 1.814 5.912 ( -0.247 -1.016 -0.029) 1.046 8.437 ( -1.452 -1.320 -0.123) 1.966 8.487 ( -2.405 -0.331 0.067) 2.429 12.419 ( 1.971 4.615 -0.240) 5.024 12.519 ( -2.282 3.327 0.421) 4.056 12.605 ( -1.366 -0.722 -0.220) 1.561 12.608 ( -1.700 -0.384 0.209) 1.756 12.862 ( 1.995 6.153 -0.660) 6.502 12.902 ( -0.190 5.621 -0.078) 5.625 13.040 ( -3.146 3.405 1.672) 4.928 13.181 ( 0.904 -0.437 -1.743) 2.011 13.305 ( -2.912 4.009 1.692) 5.236 13.344 ( -0.822 3.626 -0.857) 3.816 ======================= Grid point 25 (19/95) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.347 ( 0.000 6.704 0.000) 6.704 0.446 ( 0.000 1.985 0.000) 1.985 0.563 ( 0.000 1.228 0.000) 1.228 0.710 ( 0.000 14.118 0.000) 14.118 0.773 ( 0.000 10.737 0.000) 10.737 0.860 ( 0.000 1.064 0.000) 1.064 1.048 ( 0.000 1.877 0.000) 1.877 1.100 ( 0.000 1.180 0.000) 1.180 1.174 ( 0.000 11.728 0.000) 11.728 1.197 ( 0.000 16.992 0.000) 16.992 1.401 ( 0.000 10.073 0.000) 10.073 1.454 ( 0.000 7.474 0.000) 7.474 1.637 ( 0.000 3.886 0.000) 3.886 1.687 ( -0.000 -0.502 -0.000) 0.502 1.734 ( -0.000 -1.480 -0.000) 1.480 1.881 ( 0.000 4.542 0.000) 4.542 2.019 ( 0.000 1.565 0.000) 1.565 2.094 ( 0.000 0.686 0.000) 0.686 2.162 ( -0.000 -3.014 -0.000) 3.014 2.270 ( -0.000 -1.460 -0.000) 1.460 2.473 ( -0.000 -0.708 -0.000) 0.708 2.512 ( 0.000 3.273 0.000) 3.273 2.702 ( 0.000 2.689 0.000) 2.689 2.747 ( -0.000 -0.792 -0.000) 0.792 2.853 ( -0.000 -2.272 -0.000) 2.272 2.893 ( -0.000 -0.244 -0.000) 0.244 3.303 ( 0.000 3.459 0.000) 3.459 3.340 ( -0.000 -0.229 -0.000) 0.229 3.565 ( 0.000 1.612 0.000) 1.612 3.628 ( 0.000 2.676 0.000) 2.676 3.898 ( 0.000 1.803 0.000) 1.803 3.926 ( -0.000 -0.288 -0.000) 0.288 4.039 ( 0.000 1.710 0.000) 1.710 4.061 ( 0.000 0.479 0.000) 0.479 4.306 ( 0.000 4.018 0.000) 4.018 4.308 ( 0.000 2.401 0.000) 2.401 4.346 ( 0.000 1.011 0.000) 1.011 4.398 ( -0.000 -0.531 -0.000) 0.531 4.653 ( -0.000 -2.202 -0.000) 2.202 4.716 ( -0.000 -2.193 -0.000) 2.193 4.742 ( -0.000 -1.846 -0.000) 1.846 4.854 ( -0.000 -2.901 -0.000) 2.901 5.332 ( -0.000 -1.716 -0.000) 1.716 5.354 ( -0.000 -2.238 -0.000) 2.238 5.362 ( -0.000 -0.346 -0.000) 0.346 5.446 ( -0.000 -2.571 -0.000) 2.571 5.901 ( -0.000 -0.326 -0.000) 0.326 5.913 ( -0.000 -1.286 -0.000) 1.286 8.436 ( -0.000 -1.418 -0.000) 1.418 8.470 ( -0.000 -0.445 -0.000) 0.445 12.419 ( 0.000 6.135 0.000) 6.135 12.427 ( 0.000 3.081 0.000) 3.081 12.587 ( -0.000 -0.078 -0.000) 0.078 12.603 ( -0.000 -0.296 -0.000) 0.296 12.807 ( 0.000 6.805 0.000) 6.805 12.854 ( 0.000 5.596 0.000) 5.596 12.977 ( 0.000 3.289 0.000) 3.289 13.209 ( -0.000 -1.313 -0.000) 1.313 13.232 ( 0.000 4.403 0.000) 4.403 13.296 ( 0.000 4.129 0.000) 4.129 ======================= Grid point 30 (20/95) ======================= q-point: (-0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( 2.825 0.000 -0.241) 2.835 0.567 ( -0.200 -0.000 0.739) 0.766 0.619 ( -1.486 -0.000 -4.597) 4.831 0.787 ( 4.597 0.000 3.740) 5.926 0.986 ( -3.093 -0.000 0.716) 3.175 0.999 ( -1.922 -0.000 -2.607) 3.239 1.136 ( 1.801 0.000 0.153) 1.807 1.177 ( 2.643 0.000 0.286) 2.658 1.423 ( -3.227 -0.000 1.251) 3.461 1.476 ( 2.944 0.000 -1.694) 3.397 1.517 ( -3.574 -0.000 0.183) 3.579 1.544 ( 0.574 0.000 0.547) 0.793 1.610 ( 4.213 0.000 2.071) 4.695 1.617 ( 5.355 0.000 -2.116) 5.758 1.863 ( -4.117 -0.000 -2.106) 4.624 1.911 ( -2.776 -0.000 2.503) 3.738 2.084 ( -3.947 -0.000 0.146) 3.950 2.178 ( -2.753 -0.000 -0.770) 2.858 2.192 ( -0.272 -0.000 1.270) 1.298 2.350 ( 0.279 0.000 -0.113) 0.301 2.524 ( 0.106 0.000 0.784) 0.792 2.640 ( 2.030 0.000 -0.114) 2.034 2.698 ( -0.457 -0.000 -0.358) 0.580 2.769 ( 1.388 0.000 -0.886) 1.646 2.884 ( -3.828 -0.000 -1.130) 3.991 2.973 ( -3.858 -0.000 0.741) 3.929 3.511 ( 9.657 0.000 1.503) 9.773 3.536 ( 9.681 0.000 -1.213) 9.756 3.674 ( -0.639 -0.000 -0.490) 0.805 3.696 ( -0.740 -0.000 0.474) 0.879 3.828 ( 0.365 0.000 0.212) 0.422 3.859 ( -1.371 -0.000 -0.072) 1.372 4.000 ( -0.577 -0.000 0.430) 0.720 4.000 ( -2.180 -0.000 -0.282) 2.199 4.231 ( 2.942 0.000 -0.036) 2.942 4.328 ( 1.433 0.000 -0.059) 1.434 4.458 ( -1.207 -0.000 -0.513) 1.312 4.466 ( -1.575 -0.000 0.495) 1.651 4.665 ( 0.633 0.000 0.224) 0.672 4.694 ( 1.420 0.000 -0.306) 1.453 4.786 ( -1.266 -0.000 0.942) 1.578 4.809 ( -2.128 -0.000 -0.849) 2.292 5.224 ( -0.822 -0.000 -0.189) 0.843 5.232 ( -0.619 -0.000 0.193) 0.649 5.305 ( 0.604 0.000 -0.163) 0.626 5.305 ( -0.052 -0.000 0.153) 0.162 5.840 ( 0.362 0.000 -0.654) 0.748 5.857 ( -0.030 -0.000 0.594) 0.595 8.514 ( -2.799 -0.000 0.199) 2.806 8.564 ( -2.091 -0.000 -0.228) 2.103 12.474 ( 1.044 0.000 -0.543) 1.177 12.513 ( 2.054 0.000 -0.994) 2.282 12.640 ( -0.083 -0.000 1.990) 1.992 12.655 ( -1.715 -0.000 0.117) 1.719 12.840 ( 4.055 0.000 0.660) 4.109 12.963 ( 4.613 0.000 -1.246) 4.779 13.207 ( -3.522 -0.000 -1.434) 3.803 13.302 ( -2.448 -0.000 2.592) 3.565 13.440 ( -0.392 -0.000 -1.953) 1.992 13.466 ( -0.637 -0.000 0.853) 1.065 ======================= Grid point 32 (21/95) ======================= q-point: (-0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( -0.616 1.274 1.233) 1.877 0.563 ( -1.119 0.619 -2.249) 2.587 0.589 ( 0.106 0.692 -1.403) 1.568 0.853 ( 2.563 1.386 2.157) 3.625 0.955 ( -0.174 0.960 0.048) 0.977 0.984 ( 1.616 0.601 -2.051) 2.679 1.136 ( 0.811 3.635 0.821) 3.813 1.226 ( 0.023 -1.962 -0.167) 1.969 1.358 ( -1.817 2.972 0.531) 3.524 1.431 ( -2.002 4.162 -0.114) 4.620 1.513 ( -0.841 -4.400 0.203) 4.485 1.571 ( -0.758 -4.921 -0.202) 4.983 1.692 ( 4.115 1.364 1.670) 4.646 1.715 ( 5.437 0.270 -2.033) 5.810 1.805 ( -1.478 0.804 -1.460) 2.228 1.897 ( 0.131 -0.187 2.070) 2.083 2.028 ( -2.287 -0.287 0.154) 2.310 2.131 ( -0.394 2.172 -0.533) 2.270 2.199 ( 1.589 2.811 0.533) 3.272 2.385 ( 0.388 -2.937 -0.263) 2.974 2.508 ( -1.005 1.789 1.498) 2.541 2.612 ( -2.432 1.946 -2.008) 3.706 2.713 ( 2.467 1.232 1.461) 3.121 2.778 ( 1.828 0.565 -0.526) 1.984 2.834 ( -2.226 0.117 -1.203) 2.533 2.927 ( -2.402 -0.889 0.532) 2.616 3.540 ( -5.684 4.719 0.235) 7.392 3.609 ( -5.861 0.342 -0.080) 5.871 3.656 ( 4.885 2.172 -0.301) 5.355 3.733 ( 2.907 -1.859 0.319) 3.466 3.820 ( 2.459 2.355 0.057) 3.406 3.871 ( 1.505 -2.044 -0.073) 2.539 3.968 ( 0.879 1.520 -0.232) 1.771 4.021 ( 0.911 -2.297 0.313) 2.491 4.270 ( 1.881 1.222 0.261) 2.258 4.334 ( 0.006 0.171 -0.414) 0.448 4.430 ( -0.434 1.474 0.030) 1.537 4.448 ( -1.701 -0.466 0.157) 1.770 4.667 ( -0.591 -0.014 0.601) 0.843 4.696 ( -1.869 -1.303 -0.765) 2.403 4.763 ( -2.023 0.634 -0.619) 2.209 4.783 ( -0.559 -1.162 0.753) 1.493 5.220 ( 1.189 0.188 -0.066) 1.206 5.245 ( 0.187 -2.196 0.059) 2.204 5.310 ( 1.022 0.107 0.185) 1.044 5.330 ( 0.780 -1.549 -0.191) 1.745 5.846 ( 0.964 0.485 -0.337) 1.131 5.872 ( 0.647 -1.091 0.288) 1.301 8.459 ( -3.178 0.073 0.020) 3.179 8.524 ( -2.822 -0.435 -0.031) 2.856 12.487 ( 1.541 1.516 -0.696) 2.271 12.551 ( 1.619 -0.928 -0.684) 1.987 12.617 ( -2.335 0.506 0.441) 2.430 12.637 ( -0.610 0.009 1.281) 1.419 12.910 ( 4.267 1.107 0.340) 4.421 13.020 ( 2.138 1.296 -0.289) 2.517 13.140 ( -2.155 0.945 -2.598) 3.506 13.235 ( -5.064 0.927 3.009) 5.963 13.425 ( -0.267 1.108 -1.832) 2.157 13.438 ( -2.064 1.257 1.060) 2.639 ======================= Grid point 33 (22/95) ======================= q-point: (-0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( -2.587 1.898 -2.178) 3.878 0.532 ( -0.444 2.636 1.010) 2.858 0.587 ( 0.684 1.033 -0.312) 1.278 0.868 ( 0.871 1.565 0.826) 1.972 0.947 ( 2.786 5.179 -0.219) 5.885 1.028 ( 3.643 0.771 -0.635) 3.778 1.087 ( -1.451 5.307 0.609) 5.536 1.192 ( -3.165 1.838 -0.133) 3.662 1.320 ( -1.028 0.777 0.069) 1.291 1.379 ( -0.477 2.572 0.079) 2.617 1.554 ( 0.015 -5.133 0.489) 5.156 1.606 ( -0.736 -4.695 -0.216) 4.758 1.715 ( 0.997 2.457 0.959) 2.820 1.730 ( 0.952 7.129 -1.181) 7.289 1.782 ( 0.336 4.602 -0.496) 4.641 1.923 ( 0.932 -1.043 0.593) 1.519 2.038 ( 1.386 -3.259 0.272) 3.552 2.114 ( 1.977 3.514 -0.234) 4.039 2.200 ( 0.318 0.918 -0.062) 0.973 2.333 ( -5.227 3.330 0.013) 6.198 2.492 ( -0.124 1.761 0.966) 2.013 2.567 ( 0.366 2.142 -1.290) 2.527 2.758 ( 3.669 2.173 0.977) 4.374 2.788 ( -0.470 1.926 -1.393) 2.423 2.827 ( 2.952 1.143 0.915) 3.295 2.916 ( 0.452 -0.446 -0.251) 0.683 3.369 ( -7.025 2.929 0.042) 7.611 3.473 ( -8.544 0.706 -0.017) 8.573 3.647 ( -1.804 1.867 -0.341) 2.618 3.723 ( -1.114 2.161 0.369) 2.459 3.898 ( 5.093 1.704 -0.111) 5.372 3.935 ( 3.680 0.649 0.031) 3.737 3.999 ( 3.178 -0.284 -0.086) 3.192 4.059 ( 0.123 -1.500 0.201) 1.518 4.277 ( 1.418 0.904 0.045) 1.682 4.342 ( -0.348 -1.714 -0.214) 1.762 4.414 ( -1.180 0.246 0.213) 1.225 4.425 ( 1.205 2.388 0.031) 2.675 4.643 ( -1.706 0.527 -0.414) 1.833 4.678 ( -1.524 -1.843 1.042) 2.609 4.718 ( -2.333 -0.107 -1.262) 2.654 4.790 ( -0.730 -1.823 0.545) 2.038 5.253 ( 1.575 -1.429 0.027) 2.126 5.276 ( 0.379 -2.692 -0.105) 2.721 5.332 ( 0.675 -0.910 0.347) 1.185 5.360 ( 0.643 -2.181 -0.276) 2.290 5.864 ( 1.272 -0.244 -0.148) 1.304 5.892 ( 0.206 -0.912 0.129) 0.944 8.415 ( -2.100 -0.834 -0.051) 2.260 8.482 ( -2.065 -0.169 0.046) 2.072 12.494 ( 1.971 2.720 -0.657) 3.423 12.564 ( -0.940 0.902 0.156) 1.312 12.580 ( -1.142 -0.895 0.048) 1.452 12.624 ( -0.693 1.436 0.717) 1.748 12.959 ( 3.742 3.380 -1.051) 5.151 12.992 ( -1.123 3.415 0.270) 3.605 13.103 ( -2.603 2.793 1.290) 4.030 13.168 ( -0.843 -0.832 -0.880) 1.476 13.378 ( -2.145 3.086 1.255) 3.963 13.403 ( -0.264 2.215 -1.114) 2.494 ======================= Grid point 34 (23/95) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.448 ( 0.000 3.634 0.000) 3.634 0.500 ( 0.000 3.219 0.000) 3.219 0.584 ( 0.000 1.080 0.000) 1.080 0.862 ( 0.000 1.447 0.000) 1.447 0.936 ( 0.000 8.808 0.000) 8.808 0.967 ( 0.000 6.368 0.000) 6.368 1.095 ( 0.000 2.624 0.000) 2.624 1.119 ( 0.000 1.133 0.000) 1.133 1.293 ( 0.000 2.448 0.000) 2.448 1.350 ( 0.000 3.059 0.000) 3.059 1.597 ( 0.000 0.839 0.000) 0.839 1.628 ( -0.000 -0.860 -0.000) 0.860 1.659 ( 0.000 4.778 0.000) 4.778 1.692 ( 0.000 8.577 0.000) 8.577 1.713 ( 0.000 0.842 0.000) 0.842 1.936 ( 0.000 0.133 0.000) 0.133 2.093 ( -0.000 -2.012 -0.000) 2.012 2.126 ( 0.000 5.089 0.000) 5.089 2.148 ( 0.000 2.895 0.000) 2.895 2.252 ( 0.000 0.986 0.000) 0.986 2.472 ( 0.000 1.287 0.000) 1.287 2.553 ( 0.000 1.748 0.000) 1.748 2.761 ( 0.000 1.922 0.000) 1.922 2.765 ( 0.000 3.195 0.000) 3.195 2.855 ( 0.000 1.853 0.000) 1.853 2.908 ( 0.000 1.619 0.000) 1.619 3.322 ( -0.000 -1.451 -0.000) 1.451 3.356 ( 0.000 1.698 0.000) 1.698 3.605 ( 0.000 2.395 0.000) 2.395 3.687 ( 0.000 2.990 0.000) 2.990 3.934 ( 0.000 1.189 0.000) 1.189 3.942 ( 0.000 2.518 0.000) 2.518 4.048 ( -0.000 -0.503 -0.000) 0.503 4.056 ( -0.000 -0.739 -0.000) 0.739 4.313 ( -0.000 -0.922 -0.000) 0.922 4.335 ( -0.000 -0.918 -0.000) 0.918 4.391 ( 0.000 2.012 0.000) 2.012 4.425 ( 0.000 2.513 0.000) 2.513 4.623 ( -0.000 -0.671 -0.000) 0.671 4.683 ( -0.000 -0.805 -0.000) 0.805 4.699 ( -0.000 -2.219 -0.000) 2.219 4.802 ( -0.000 -2.267 -0.000) 2.267 5.290 ( -0.000 -2.293 -0.000) 2.293 5.304 ( -0.000 -2.707 -0.000) 2.707 5.347 ( -0.000 -1.045 -0.000) 1.045 5.391 ( -0.000 -2.842 -0.000) 2.842 5.888 ( -0.000 -1.178 -0.000) 1.178 5.895 ( -0.000 -0.306 -0.000) 0.306 8.408 ( -0.000 -1.371 -0.000) 1.371 8.465 ( -0.000 -0.139 -0.000) 0.139 12.491 ( 0.000 3.140 0.000) 3.140 12.524 ( 0.000 3.563 0.000) 3.563 12.584 ( -0.000 -1.249 -0.000) 1.249 12.596 ( 0.000 1.594 0.000) 1.594 12.929 ( 0.000 5.247 0.000) 5.247 12.970 ( 0.000 5.607 0.000) 5.607 13.033 ( 0.000 2.316 0.000) 2.316 13.183 ( -0.000 -1.316 -0.000) 1.316 13.321 ( 0.000 4.342 0.000) 4.342 13.371 ( 0.000 3.297 0.000) 3.297 ======================= Grid point 41 (24/95) ======================= q-point: (-0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( -2.268 -0.000 -1.953) 2.992 0.560 ( -0.199 -0.000 1.037) 1.056 0.599 ( 0.599 0.000 -0.272) 0.658 0.884 ( 0.431 0.000 0.407) 0.593 1.008 ( 4.399 0.000 0.746) 4.462 1.029 ( 3.397 0.000 -1.434) 3.687 1.150 ( -1.608 -0.000 1.357) 2.104 1.190 ( -3.137 -0.000 -0.988) 3.288 1.346 ( -1.374 -0.000 0.374) 1.425 1.418 ( -1.528 -0.000 0.359) 1.569 1.482 ( -0.180 -0.000 -0.331) 0.377 1.539 ( 0.559 0.000 -0.083) 0.565 1.727 ( -0.608 -0.000 0.226) 0.649 1.818 ( 5.649 0.000 -1.429) 5.827 1.843 ( 4.357 0.000 0.145) 4.360 1.910 ( 0.489 0.000 1.380) 1.464 1.994 ( -1.409 -0.000 0.104) 1.413 2.113 ( -0.739 -0.000 -0.658) 0.990 2.254 ( -0.814 -0.000 0.655) 1.045 2.353 ( -2.147 -0.000 -0.348) 2.175 2.512 ( -0.105 -0.000 0.947) 0.953 2.592 ( 0.308 0.000 -1.444) 1.477 2.785 ( 3.867 0.000 1.902) 4.309 2.809 ( -0.807 -0.000 -1.057) 1.330 2.839 ( 5.443 0.000 -0.138) 5.445 2.909 ( 1.251 0.000 -0.296) 1.286 3.415 ( -10.686 -0.000 0.159) 10.687 3.465 ( -8.680 -0.000 -0.094) 8.680 3.670 ( -1.643 -0.000 -0.507) 1.720 3.745 ( -0.373 -0.000 0.471) 0.601 3.926 ( 4.635 0.000 -0.147) 4.638 3.933 ( 6.358 0.000 0.194) 6.361 4.000 ( 1.838 0.000 -0.325) 1.866 4.035 ( 1.177 0.000 0.377) 1.236 4.301 ( 0.733 0.000 0.194) 0.758 4.307 ( -1.749 -0.000 -0.436) 1.802 4.417 ( -1.041 -0.000 0.237) 1.068 4.449 ( 0.482 0.000 0.053) 0.485 4.647 ( -2.232 -0.000 -0.699) 2.339 4.659 ( -0.454 -0.000 1.418) 1.489 4.723 ( -2.415 -0.000 -1.730) 2.971 4.771 ( -0.584 -0.000 0.939) 1.106 5.241 ( 0.629 0.000 0.161) 0.649 5.243 ( 1.127 0.000 -0.181) 1.142 5.323 ( 0.399 0.000 0.386) 0.555 5.336 ( 0.707 0.000 -0.379) 0.802 5.862 ( 0.702 0.000 -0.364) 0.791 5.881 ( 0.796 0.000 0.335) 0.863 8.407 ( -2.405 -0.000 -0.043) 2.406 8.481 ( -1.887 -0.000 0.045) 1.887 12.521 ( 1.711 0.000 -0.940) 1.953 12.562 ( 0.237 0.000 -0.415) 0.478 12.580 ( -2.235 -0.000 0.851) 2.391 12.642 ( 0.563 0.000 0.775) 0.958 12.991 ( 4.495 0.000 -0.843) 4.573 13.027 ( -1.610 -0.000 0.302) 1.639 13.139 ( 1.786 0.000 -2.672) 3.214 13.152 ( -5.659 -0.000 3.096) 6.451 13.411 ( -1.892 -0.000 1.096) 2.187 13.425 ( -0.031 -0.000 -1.237) 1.237 ======================= Grid point 43 (25/95) ======================= q-point: (-0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.493 ( 0.000 1.101 0.000) 1.101 0.552 ( 0.000 1.635 0.000) 1.635 0.602 ( 0.000 0.600 0.000) 0.600 0.884 ( 0.000 0.691 0.000) 0.691 1.055 ( 0.000 2.652 0.000) 2.652 1.059 ( 0.000 3.823 0.000) 3.823 1.128 ( 0.000 0.389 0.000) 0.389 1.131 ( -0.000 -0.366 -0.000) 0.366 1.325 ( 0.000 1.506 0.000) 1.506 1.395 ( 0.000 1.851 0.000) 1.851 1.505 ( -0.000 -4.367 -0.000) 4.367 1.564 ( -0.000 -3.165 -0.000) 3.165 1.719 ( 0.000 0.042 0.000) 0.042 1.829 ( 0.000 7.481 0.000) 7.481 1.856 ( 0.000 6.217 0.000) 6.217 1.923 ( -0.000 -0.906 -0.000) 0.906 2.013 ( -0.000 -4.760 -0.000) 4.760 2.124 ( -0.000 -2.982 -0.000) 2.982 2.219 ( 0.000 2.613 0.000) 2.613 2.313 ( 0.000 2.443 0.000) 2.443 2.506 ( 0.000 1.302 0.000) 1.302 2.592 ( 0.000 1.541 0.000) 1.541 2.795 ( 0.000 1.100 0.000) 1.100 2.814 ( 0.000 1.518 0.000) 1.518 2.898 ( 0.000 1.714 0.000) 1.714 2.944 ( 0.000 1.428 0.000) 1.428 3.295 ( -0.000 -0.960 -0.000) 0.960 3.370 ( 0.000 0.060 0.000) 0.060 3.646 ( 0.000 1.344 0.000) 1.344 3.734 ( 0.000 1.471 0.000) 1.471 3.963 ( 0.000 1.217 0.000) 1.217 3.989 ( 0.000 2.041 0.000) 2.041 4.029 ( -0.000 -1.278 -0.000) 1.278 4.042 ( -0.000 -0.494 -0.000) 0.494 4.292 ( -0.000 -0.831 -0.000) 0.831 4.311 ( -0.000 -0.927 -0.000) 0.927 4.408 ( 0.000 0.081 0.000) 0.081 4.452 ( 0.000 0.370 0.000) 0.370 4.623 ( 0.000 0.284 0.000) 0.284 4.667 ( -0.000 -0.938 -0.000) 0.938 4.687 ( 0.000 0.703 0.000) 0.703 4.770 ( -0.000 -0.915 -0.000) 0.915 5.253 ( -0.000 -1.139 -0.000) 1.139 5.260 ( -0.000 -1.355 -0.000) 1.355 5.330 ( -0.000 -0.558 -0.000) 0.558 5.348 ( -0.000 -1.279 -0.000) 1.279 5.871 ( -0.000 -0.484 -0.000) 0.484 5.890 ( -0.000 -0.131 -0.000) 0.131 8.388 ( -0.000 -0.570 -0.000) 0.570 8.464 ( -0.000 -0.015 -0.000) 0.015 12.537 ( 0.000 1.323 0.000) 1.323 12.552 ( 0.000 0.260 0.000) 0.260 12.564 ( -0.000 -0.593 -0.000) 0.593 12.641 ( 0.000 1.751 0.000) 1.751 13.001 ( 0.000 1.889 0.000) 1.889 13.054 ( 0.000 2.571 0.000) 2.571 13.064 ( 0.000 0.801 0.000) 0.801 13.160 ( -0.000 -0.866 -0.000) 0.866 13.385 ( 0.000 1.845 0.000) 1.845 13.417 ( 0.000 1.243 0.000) 1.243 ======================= Grid point 85 (26/95) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.140 ( -3.955 -0.000 7.247) 8.256 0.173 ( 3.288 0.000 8.942) 9.527 0.353 ( 1.942 0.000 -3.436) 3.946 0.360 ( 2.193 0.000 17.547) 17.683 0.446 ( -1.394 -0.000 -4.526) 4.736 0.494 ( 0.564 0.000 1.238) 1.361 0.549 ( -1.784 -0.000 -0.124) 1.788 0.823 ( -0.239 -0.000 -5.517) 5.523 1.031 ( 0.579 0.000 1.526) 1.632 1.092 ( 0.068 0.000 -1.068) 1.070 1.413 ( 6.111 0.000 1.936) 6.411 1.463 ( -0.622 -0.000 0.538) 0.822 1.484 ( 0.353 0.000 -0.358) 0.503 1.538 ( -1.109 -0.000 -3.274) 3.457 1.731 ( -9.337 -0.000 -0.188) 9.339 1.741 ( 2.768 0.000 -0.857) 2.898 2.080 ( -0.504 -0.000 0.606) 0.788 2.089 ( 0.268 0.000 0.275) 0.384 2.305 ( 0.949 0.000 0.107) 0.955 2.317 ( -0.476 -0.000 -0.390) 0.615 2.376 ( 2.012 0.000 -0.052) 2.013 2.391 ( -0.876 -0.000 -0.587) 1.055 2.693 ( -0.450 -0.000 0.137) 0.470 2.699 ( 0.584 0.000 -0.108) 0.594 2.961 ( 1.023 0.000 0.347) 1.080 2.989 ( -4.699 -0.000 -0.692) 4.750 3.206 ( 0.052 0.000 2.483) 2.484 3.295 ( -0.194 -0.000 -1.493) 1.506 3.539 ( 0.026 0.000 0.741) 0.742 3.576 ( 0.048 0.000 -0.840) 0.841 3.885 ( -1.041 -0.000 0.474) 1.144 3.912 ( 2.323 0.000 -0.735) 2.437 3.970 ( -3.250 -0.000 0.792) 3.345 3.999 ( 1.138 0.000 -0.508) 1.246 4.210 ( 0.372 0.000 0.328) 0.495 4.228 ( -0.327 -0.000 -0.447) 0.554 4.354 ( 0.061 0.000 0.456) 0.460 4.372 ( 0.251 0.000 -0.309) 0.398 4.736 ( -1.254 -0.000 0.045) 1.255 4.753 ( 4.030 0.000 -1.014) 4.156 4.824 ( 3.107 0.000 2.167) 3.787 4.897 ( 0.171 0.000 -1.328) 1.339 5.337 ( -2.744 -0.000 0.054) 2.744 5.340 ( 0.626 0.000 -0.072) 0.631 5.383 ( -0.347 -0.000 0.253) 0.430 5.393 ( 0.329 0.000 -0.201) 0.385 5.914 ( -0.199 -0.000 0.556) 0.591 5.938 ( 0.171 0.000 -0.474) 0.504 8.488 ( -0.735 -0.000 0.530) 0.906 8.513 ( 5.027 0.000 -0.541) 5.056 12.295 ( -8.933 -0.000 -0.191) 8.935 12.297 ( 2.558 0.000 -0.332) 2.580 12.562 ( 0.887 0.000 1.043) 1.370 12.597 ( -0.803 -0.000 0.304) 0.859 12.644 ( -1.880 -0.000 1.244) 2.254 12.741 ( 1.832 0.000 -2.210) 2.870 12.921 ( -7.601 -0.000 1.156) 7.688 12.975 ( 2.713 0.000 -1.223) 2.976 13.143 ( -1.135 -0.000 0.924) 1.464 13.180 ( 0.652 0.000 -0.677) 0.940 ======================= Grid point 86 (27/95) ======================= q-point: ( 0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.355 ( 4.688 -5.242 5.269) 8.788 0.359 ( -2.707 -0.143 -0.651) 2.788 0.432 ( 5.869 1.698 8.616) 10.562 0.516 ( 8.216 -0.052 -2.137) 8.490 0.576 ( 6.868 -3.174 -0.921) 7.622 0.662 ( 15.060 -17.212 2.850) 23.048 0.733 ( 18.607 -14.067 -3.053) 23.525 0.771 ( -1.061 -2.597 -3.619) 4.579 1.051 ( 1.760 2.517 3.327) 4.528 1.137 ( 4.848 1.093 -2.639) 5.627 1.370 ( 0.325 0.232 3.367) 3.390 1.435 ( 0.757 3.479 -0.045) 3.561 1.490 ( -1.636 -3.508 -0.332) 3.885 1.575 ( 0.840 -5.228 -2.230) 5.746 1.777 ( 6.427 2.736 -1.465) 7.137 1.860 ( 6.427 -3.484 -0.420) 7.323 2.100 ( 2.333 0.711 -0.059) 2.440 2.122 ( 3.638 1.281 0.274) 3.867 2.272 ( -1.169 3.860 -0.265) 4.042 2.311 ( 0.520 1.724 -0.222) 1.814 2.387 ( -1.384 -3.843 -0.162) 4.088 2.414 ( 0.274 -2.593 -0.167) 2.613 2.665 ( -2.505 0.353 -0.097) 2.532 2.701 ( -2.018 -0.972 -0.159) 2.246 2.947 ( 0.505 1.943 -0.413) 2.049 2.968 ( 0.749 1.873 0.546) 2.090 3.255 ( 3.167 -2.510 2.414) 4.707 3.321 ( 2.756 -1.217 -1.640) 3.430 3.548 ( 0.401 -0.708 0.554) 0.984 3.574 ( -0.445 -0.613 -0.646) 0.996 3.848 ( -3.518 -0.764 -0.136) 3.602 3.918 ( -4.382 -1.387 1.203) 4.751 3.935 ( 0.886 1.263 -1.144) 1.921 4.034 ( 1.469 -2.946 0.117) 3.294 4.175 ( -3.860 -1.058 0.616) 4.049 4.193 ( -3.224 -1.136 -0.669) 3.484 4.386 ( 2.926 2.538 -0.160) 3.877 4.440 ( 4.175 -1.159 -1.118) 4.475 4.706 ( -1.285 1.259 -0.738) 1.945 4.761 ( -0.901 -0.188 0.033) 0.921 4.855 ( 1.904 4.062 1.006) 4.597 4.913 ( 0.965 0.145 -1.321) 1.642 5.329 ( -0.167 0.964 -0.168) 0.992 5.370 ( -0.635 0.226 0.102) 0.681 5.391 ( 0.076 -4.046 -1.274) 4.243 5.394 ( 0.034 0.186 -0.225) 0.294 5.904 ( -0.981 0.508 0.405) 1.177 5.933 ( -0.384 0.098 -0.335) 0.519 8.486 ( 0.748 0.215 -0.101) 0.785 8.530 ( 0.894 2.059 0.116) 2.248 12.281 ( 2.385 0.142 -1.078) 2.621 12.389 ( 3.902 -4.460 0.673) 5.964 12.595 ( 0.038 -0.669 0.946) 1.159 12.601 ( 1.994 -0.155 0.158) 2.006 12.635 ( 0.158 -3.329 -0.356) 3.352 12.753 ( -0.436 -0.925 -0.947) 1.394 12.933 ( 4.610 -0.416 -0.425) 4.648 13.082 ( 3.844 -5.727 -0.509) 6.916 13.164 ( 2.487 -1.035 -0.007) 2.693 13.219 ( 2.785 -1.727 -0.061) 3.277 ======================= Grid point 87 (28/95) ======================= q-point: ( 0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.307 ( -0.828 -2.245 -4.150) 4.790 0.449 ( 1.621 -4.716 3.827) 6.286 0.509 ( 1.876 1.135 2.457) 3.293 0.644 ( 3.845 -6.819 -0.860) 7.876 0.723 ( 1.216 -0.274 -0.959) 1.573 0.815 ( 13.274 -1.205 -0.869) 13.357 1.047 ( 4.703 -2.459 -3.627) 6.428 1.056 ( 5.014 -0.756 4.319) 6.661 1.117 ( 8.686 -10.345 0.644) 13.524 1.264 ( 9.701 -1.923 -0.742) 9.918 1.438 ( 3.817 -1.614 1.174) 4.307 1.456 ( 2.715 -2.000 -0.006) 3.372 1.508 ( 0.547 -3.814 -0.302) 3.864 1.621 ( 0.502 -3.070 -1.319) 3.379 1.875 ( 7.649 0.812 -0.371) 7.701 1.977 ( 4.218 0.606 0.064) 4.261 2.139 ( 3.660 -0.092 -0.025) 3.661 2.168 ( 4.049 3.318 -0.089) 5.236 2.241 ( 1.047 0.572 -0.092) 1.197 2.280 ( -0.850 2.863 -0.480) 3.025 2.419 ( -0.735 -0.019 0.749) 1.049 2.429 ( 0.412 -5.164 0.034) 5.181 2.611 ( -3.381 -0.317 -0.136) 3.399 2.657 ( -2.822 0.487 -0.054) 2.864 2.948 ( 1.658 1.501 0.957) 2.433 2.975 ( 2.930 1.932 -0.787) 3.597 3.347 ( 3.399 -1.173 1.026) 3.740 3.396 ( 3.748 -2.625 -0.629) 4.619 3.547 ( -4.068 -1.964 0.097) 4.518 3.586 ( 0.528 -3.742 -0.220) 3.785 3.799 ( -2.329 -1.813 -0.404) 2.979 3.838 ( -4.672 0.920 0.558) 4.794 3.932 ( 0.427 0.280 -0.448) 0.679 4.084 ( -0.374 -3.609 0.088) 3.630 4.133 ( -2.260 -1.888 0.480) 2.984 4.172 ( 0.292 -1.420 -0.393) 1.502 4.406 ( 1.812 1.760 -0.048) 2.527 4.504 ( 2.754 -0.145 -0.171) 2.763 4.664 ( -1.154 2.207 -0.478) 2.536 4.749 ( -1.066 -0.917 0.092) 1.409 4.846 ( 0.614 2.600 1.048) 2.869 4.911 ( 0.000 1.279 -0.903) 1.566 5.296 ( -1.821 2.230 -0.033) 2.879 5.354 ( -0.941 0.507 0.150) 1.080 5.381 ( -0.759 0.492 -0.082) 0.909 5.407 ( -1.179 -1.426 -0.414) 1.896 5.874 ( -1.379 1.238 0.172) 1.861 5.924 ( -0.701 -0.125 -0.128) 0.724 8.496 ( 1.039 1.360 0.042) 1.712 8.551 ( 2.631 -0.085 -0.051) 2.633 12.326 ( 2.934 -0.509 -0.608) 3.039 12.481 ( 1.945 -2.567 2.272) 3.941 12.608 ( -0.464 -4.024 -0.794) 4.127 12.637 ( 2.413 -0.135 -0.945) 2.594 12.693 ( 1.046 -1.688 0.031) 1.986 12.758 ( 0.070 -3.644 0.108) 3.646 13.035 ( 6.748 -0.019 -1.050) 6.829 13.176 ( 2.180 -2.554 1.832) 3.825 13.248 ( 5.562 -1.418 -1.568) 5.950 13.298 ( 3.735 -2.364 0.431) 4.441 ======================= Grid point 88 (29/95) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.360 ( 3.520 -3.918 -3.579) 6.368 0.500 ( 0.866 -1.445 -0.914) 1.917 0.559 ( 2.527 -1.181 2.368) 3.659 0.704 ( -1.317 -3.884 0.677) 4.157 0.799 ( 4.297 -2.188 -0.138) 4.824 0.996 ( 6.019 0.930 -1.513) 6.276 1.077 ( 3.494 2.164 -1.185) 4.277 1.129 ( 3.361 -1.884 2.304) 4.489 1.311 ( 2.296 -6.570 -0.606) 6.986 1.326 ( 0.550 3.782 0.503) 3.854 1.493 ( -0.638 -3.252 -0.627) 3.373 1.533 ( 1.021 -1.511 0.700) 1.953 1.546 ( 0.232 -1.485 -0.429) 1.563 1.688 ( 3.331 -4.226 -0.362) 5.393 1.950 ( 3.001 5.279 0.415) 6.087 2.047 ( 6.844 0.702 -0.877) 6.935 2.159 ( 3.463 5.369 -0.108) 6.390 2.218 ( 0.173 5.667 0.456) 5.688 2.256 ( 0.315 -5.753 0.444) 5.779 2.305 ( 2.826 -3.018 -0.833) 4.218 2.435 ( 2.480 -0.641 1.009) 2.754 2.485 ( 2.647 0.604 0.224) 2.725 2.567 ( -1.770 -1.559 -0.460) 2.403 2.621 ( -1.497 -3.419 0.128) 3.734 2.985 ( 3.972 1.735 1.676) 4.648 3.029 ( 4.662 0.360 -1.484) 4.906 3.362 ( -4.821 -1.228 -0.027) 4.975 3.418 ( -4.393 -0.270 -0.171) 4.405 3.510 ( 0.042 -3.791 0.809) 3.876 3.615 ( -2.336 -3.134 -0.570) 3.951 3.801 ( 2.738 -0.102 -0.157) 2.745 3.829 ( 1.722 -2.920 0.164) 3.394 3.943 ( 1.284 0.520 -0.196) 1.399 4.091 ( -1.344 -2.521 0.101) 2.859 4.148 ( 0.927 -2.057 0.032) 2.257 4.215 ( 2.530 -0.992 0.003) 2.718 4.410 ( 0.230 1.273 -0.024) 1.293 4.539 ( 1.472 0.088 -0.007) 1.475 4.638 ( -0.124 0.013 -0.218) 0.251 4.741 ( -1.015 -1.330 -0.004) 1.674 4.829 ( -0.468 1.915 0.777) 2.119 4.882 ( -1.184 2.008 -0.624) 2.413 5.231 ( -2.591 2.560 -0.011) 3.642 5.324 ( -1.515 1.219 0.056) 1.946 5.361 ( -0.778 0.611 -0.008) 0.989 5.386 ( -1.683 -0.091 -0.073) 1.687 5.840 ( -1.065 1.169 0.045) 1.582 5.911 ( -0.840 0.040 -0.025) 0.841 8.498 ( 0.775 1.356 0.007) 1.562 8.604 ( 2.660 -0.722 -0.032) 2.757 12.384 ( 2.799 -1.160 -0.331) 3.048 12.519 ( 0.154 -1.392 1.706) 2.207 12.652 ( 0.876 -2.802 -0.873) 3.062 12.653 ( -0.346 1.394 -0.796) 1.642 12.713 ( 0.744 -3.134 0.524) 3.263 12.828 ( 1.813 -4.331 -0.085) 4.696 13.144 ( 5.956 0.102 -1.059) 6.050 13.227 ( 1.561 -0.367 1.606) 2.270 13.346 ( 4.359 -1.140 -1.146) 4.649 13.383 ( 3.254 -1.848 0.464) 3.771 ======================= Grid point 89 (30/95) ======================= q-point: ( 0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.449 ( 3.164 -2.609 -2.257) 4.681 0.522 ( 0.566 -0.478 -0.619) 0.965 0.579 ( -1.590 0.093 -1.829) 2.425 0.720 ( 0.473 -0.773 3.377) 3.496 0.875 ( 1.835 -1.952 -0.011) 2.679 0.993 ( -0.778 1.632 -1.799) 2.551 1.143 ( 2.577 0.811 0.379) 2.728 1.209 ( 2.847 -1.959 0.112) 3.458 1.278 ( -0.495 3.090 0.082) 3.131 1.362 ( -0.499 -2.371 0.020) 2.423 1.492 ( -2.042 1.290 -0.171) 2.421 1.509 ( -0.133 -1.532 -0.688) 1.685 1.577 ( -0.073 -1.416 0.315) 1.452 1.747 ( -0.170 -1.958 -0.108) 1.968 1.973 ( 3.657 2.536 0.412) 4.470 2.110 ( 2.314 1.621 -0.540) 2.876 2.162 ( -0.616 1.672 0.339) 1.814 2.187 ( 2.084 2.693 0.563) 3.451 2.288 ( -0.191 -1.892 -0.410) 1.945 2.357 ( 1.159 -1.711 -0.722) 2.189 2.464 ( -1.540 2.836 0.920) 3.356 2.466 ( -0.689 -1.395 -0.008) 1.556 2.606 ( 2.637 -1.641 -0.443) 3.137 2.692 ( 2.473 -3.214 0.801) 4.134 3.045 ( 3.817 1.511 1.009) 4.228 3.090 ( 1.553 0.319 -0.584) 1.690 3.244 ( -5.145 -0.933 -0.725) 5.279 3.361 ( -3.516 -1.366 0.520) 3.808 3.545 ( 0.141 -1.070 -0.270) 1.112 3.599 ( -0.191 -0.096 0.098) 0.235 3.869 ( 1.996 -1.327 -0.311) 2.417 3.881 ( 1.120 -1.629 0.260) 1.994 3.959 ( 1.172 0.834 -0.142) 1.445 4.097 ( -0.550 -1.491 0.291) 1.615 4.179 ( 1.145 0.123 -0.360) 1.207 4.261 ( 1.304 -0.993 0.277) 1.663 4.393 ( -0.451 0.954 -0.031) 1.056 4.557 ( 0.552 -0.055 -0.048) 0.557 4.655 ( 0.697 -1.358 -0.053) 1.527 4.746 ( -0.054 -1.677 -0.194) 1.689 4.795 ( -1.189 2.006 0.213) 2.341 4.840 ( -0.986 1.313 0.068) 1.643 5.174 ( -1.265 1.216 -0.074) 1.756 5.290 ( -0.867 0.742 0.030) 1.141 5.349 ( 0.027 0.395 0.022) 0.396 5.360 ( -1.135 0.030 -0.026) 1.136 5.819 ( -0.368 0.432 -0.029) 0.568 5.898 ( -0.416 0.100 0.037) 0.429 8.498 ( 0.292 0.561 -0.032) 0.633 8.644 ( 1.075 -0.379 0.018) 1.141 12.432 ( 1.236 -0.923 0.008) 1.543 12.536 ( 0.140 -1.165 0.252) 1.201 12.614 ( -1.104 1.693 0.238) 2.035 12.683 ( 0.766 -0.210 -1.062) 1.326 12.761 ( 0.680 -2.261 1.299) 2.695 12.880 ( 0.533 -1.856 -0.599) 2.022 13.217 ( 2.182 -0.104 -1.142) 2.465 13.248 ( 0.883 0.416 1.412) 1.717 13.403 ( 1.459 -0.407 -0.680) 1.660 13.438 ( 1.352 -0.732 0.291) 1.565 ======================= Grid point 90 (31/95) ======================= q-point: (-0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.468 ( -2.683 1.315 -3.649) 4.716 0.509 ( -1.881 1.566 -0.408) 2.481 0.538 ( -0.062 -0.298 0.390) 0.494 0.749 ( 1.333 0.587 2.328) 2.746 0.876 ( -1.729 2.077 0.012) 2.703 0.979 ( -0.164 -1.309 -1.754) 2.195 1.140 ( -3.474 -1.306 0.314) 3.725 1.225 ( -1.771 1.888 0.153) 2.593 1.268 ( 1.181 -1.624 0.041) 2.008 1.366 ( 0.586 1.594 0.032) 1.698 1.486 ( 1.624 -0.248 -0.365) 1.683 1.516 ( 1.019 0.877 -0.528) 1.444 1.576 ( -0.582 0.747 0.329) 1.002 1.747 ( 0.074 1.769 -0.110) 1.774 1.969 ( -4.045 -2.346 0.389) 4.692 2.115 ( -1.357 -0.886 -0.518) 1.702 2.168 ( 0.030 -3.389 0.099) 3.390 2.182 ( -1.597 -0.956 0.784) 2.020 2.294 ( 0.569 1.263 -0.332) 1.424 2.373 ( 0.147 1.888 -1.225) 2.255 2.434 ( 0.724 1.212 0.844) 1.644 2.469 ( -1.125 -2.811 0.531) 3.074 2.614 ( -0.985 2.544 -0.479) 2.770 2.692 ( -3.370 2.214 0.816) 4.114 3.036 ( -5.222 -1.736 0.901) 5.576 3.090 ( -0.551 -0.210 -0.519) 0.786 3.266 ( 6.389 0.602 -0.851) 6.474 3.350 ( 2.619 1.782 0.701) 3.244 3.534 ( -0.925 1.055 -0.228) 1.421 3.609 ( 0.960 0.141 0.051) 0.972 3.865 ( -2.160 1.076 -0.178) 2.420 3.886 ( -0.959 1.695 0.127) 1.951 3.959 ( -1.105 -0.696 -0.143) 1.314 4.097 ( 0.254 0.938 0.306) 1.019 4.175 ( -0.712 1.358 -0.349) 1.573 4.265 ( -1.515 0.096 0.253) 1.539 4.392 ( 0.409 -0.961 -0.031) 1.045 4.557 ( -0.480 0.036 -0.049) 0.484 4.656 ( -0.619 1.423 -0.056) 1.553 4.744 ( -0.086 1.620 -0.187) 1.633 4.789 ( 0.872 -1.575 0.203) 1.811 4.848 ( 1.336 -1.742 0.074) 2.197 5.174 ( 1.249 -1.194 -0.074) 1.729 5.290 ( 0.875 -0.650 0.030) 1.090 5.348 ( -0.071 -0.431 0.018) 0.437 5.361 ( 1.186 -0.079 -0.022) 1.189 5.820 ( 0.421 -0.551 -0.029) 0.694 5.897 ( 0.374 -0.031 0.038) 0.377 8.497 ( -0.275 -0.462 -0.032) 0.539 8.644 ( -1.108 0.268 0.018) 1.140 12.432 ( -1.664 0.337 0.012) 1.698 12.549 ( 0.486 -0.265 0.259) 0.611 12.600 ( 0.795 0.948 0.234) 1.259 12.677 ( -0.318 1.297 -0.929) 1.627 12.772 ( -0.877 0.661 1.225) 1.645 12.876 ( -0.705 1.777 -0.664) 2.024 13.202 ( -3.083 -0.439 -0.502) 3.154 13.266 ( 0.478 0.320 0.808) 0.992 13.397 ( -1.882 0.424 -0.649) 2.036 13.441 ( -1.300 0.491 0.224) 1.408 ======================= Grid point 91 (32/95) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.349 ( -5.189 4.210 -4.518) 8.066 0.457 ( -1.660 3.037 1.333) 3.709 0.540 ( -0.941 -0.662 1.099) 1.591 0.746 ( 0.291 5.017 0.418) 5.043 0.803 ( -3.875 1.452 -0.029) 4.138 0.967 ( -2.605 -0.775 -1.701) 3.207 1.032 ( -9.173 0.106 0.459) 9.185 1.187 ( -1.105 0.116 0.850) 1.399 1.297 ( -1.450 1.910 -0.179) 2.404 1.345 ( -1.037 0.746 0.148) 1.286 1.490 ( 0.866 3.482 -0.960) 3.715 1.520 ( -1.570 2.122 0.617) 2.711 1.554 ( -0.347 0.842 -0.044) 0.912 1.690 ( -2.839 3.910 -0.387) 4.848 1.946 ( -2.883 -6.046 0.390) 6.710 2.042 ( -7.532 0.520 -0.795) 7.592 2.160 ( -2.863 -4.691 -0.149) 5.498 2.225 ( -0.096 -4.694 0.610) 4.735 2.278 ( -1.040 1.179 0.387) 1.619 2.312 ( -2.222 6.030 -1.145) 6.528 2.421 ( -2.204 0.466 0.913) 2.431 2.469 ( -1.787 -0.666 0.489) 1.969 2.592 ( 1.633 0.689 -0.759) 1.928 2.608 ( 0.309 3.634 0.444) 3.674 2.967 ( -4.139 -1.140 1.033) 4.416 3.043 ( -4.167 -0.856 -0.834) 4.335 3.379 ( 0.908 1.739 0.065) 1.963 3.403 ( 7.735 0.029 -0.265) 7.740 3.504 ( 0.667 3.382 0.737) 3.525 3.623 ( 2.008 3.309 -0.495) 3.902 3.797 ( -2.859 0.334 -0.117) 2.880 3.834 ( -1.588 2.605 0.125) 3.053 3.941 ( -1.356 -0.418 -0.198) 1.433 4.095 ( 1.518 2.383 0.104) 2.827 4.136 ( -1.175 2.322 0.030) 2.602 4.223 ( -2.455 0.906 0.002) 2.617 4.409 ( -0.284 -1.333 -0.023) 1.364 4.542 ( -1.320 -0.159 -0.006) 1.330 4.638 ( 0.213 -0.069 -0.235) 0.325 4.738 ( 0.949 1.234 0.021) 1.557 4.821 ( 0.363 -1.802 0.608) 1.936 4.891 ( 1.125 -1.849 -0.465) 2.214 5.230 ( 2.630 -2.525 -0.010) 3.646 5.323 ( 1.573 -1.177 0.059) 1.966 5.360 ( 0.753 -0.593 -0.016) 0.959 5.389 ( 1.806 -0.110 -0.068) 1.810 5.842 ( 1.052 -1.275 0.047) 1.653 5.909 ( 0.839 0.028 -0.027) 0.840 8.497 ( -0.763 -1.259 0.007) 1.472 8.604 ( -2.771 0.672 -0.032) 2.852 12.381 ( -2.901 1.020 -0.289) 3.088 12.544 ( -1.365 1.627 2.560) 3.326 12.617 ( 2.159 0.696 -1.814) 2.905 12.653 ( -0.446 1.072 -0.583) 1.299 12.730 ( -2.007 2.572 0.360) 3.282 12.824 ( -1.410 4.454 -0.089) 4.673 13.132 ( -5.050 -0.258 -0.748) 5.111 13.250 ( -2.472 0.343 1.534) 2.930 13.334 ( -3.643 1.456 -1.239) 4.114 13.387 ( -3.685 1.527 0.316) 4.001 ======================= Grid point 92 (33/95) ======================= q-point: (-0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.213 ( -2.427 6.046 -1.589) 6.706 0.417 ( 0.050 2.091 1.770) 2.740 0.523 ( -2.732 -0.088 1.915) 3.338 0.645 ( -3.426 7.975 -1.047) 8.742 0.735 ( -4.519 0.068 -0.644) 4.565 0.828 ( -10.890 1.429 -0.773) 11.011 0.933 ( -1.465 1.704 0.337) 2.273 1.119 ( -9.965 10.408 -0.476) 14.417 1.153 ( -7.248 3.772 2.290) 8.485 1.245 ( -9.344 1.332 -1.404) 9.542 1.431 ( -3.998 -0.927 0.685) 4.161 1.475 ( -2.587 3.896 0.967) 4.776 1.496 ( -0.057 3.388 -0.850) 3.493 1.637 ( 0.235 2.761 -1.257) 3.043 1.876 ( -8.238 0.947 -0.410) 8.303 1.956 ( -2.877 -2.486 0.114) 3.804 2.154 ( -3.827 -4.572 0.094) 5.963 2.173 ( -4.887 1.256 -0.115) 5.047 2.247 ( -0.258 1.165 -0.230) 1.215 2.293 ( -0.542 -5.233 -0.530) 5.288 2.395 ( 0.947 3.525 0.276) 3.660 2.445 ( 0.411 1.899 0.610) 2.037 2.624 ( 3.075 0.273 -0.162) 3.091 2.645 ( 2.879 -0.502 -0.038) 2.923 2.930 ( -1.396 -0.774 0.440) 1.656 2.995 ( -2.592 -2.531 -0.277) 3.634 3.330 ( -4.109 1.770 0.667) 4.524 3.417 ( -3.075 1.624 -0.270) 3.488 3.546 ( 4.097 2.162 0.112) 4.633 3.584 ( -0.708 4.100 -0.237) 4.168 3.791 ( 2.174 0.805 -0.281) 2.336 3.848 ( 4.660 0.583 0.474) 4.720 3.928 ( -0.296 -0.643 -0.488) 0.860 4.095 ( -0.593 3.383 -0.062) 3.436 4.113 ( 2.986 1.858 0.472) 3.548 4.183 ( 0.108 1.476 -0.236) 1.499 4.404 ( -1.861 -1.782 -0.047) 2.577 4.513 ( -2.286 -0.174 -0.181) 2.300 4.667 ( 1.147 -2.710 -0.583) 3.000 4.744 ( 0.826 1.007 0.159) 1.312 4.835 ( -0.942 -1.672 0.964) 2.147 4.914 ( -0.152 -1.368 -0.777) 1.581 5.295 ( 1.952 -1.964 -0.033) 2.770 5.356 ( 1.038 -0.789 0.196) 1.318 5.379 ( 0.771 -0.217 -0.132) 0.811 5.417 ( 1.602 0.818 -0.435) 1.851 5.877 ( 1.298 -1.360 0.191) 1.890 5.922 ( 0.751 0.227 -0.147) 0.799 8.495 ( -1.105 -1.507 0.040) 1.869 8.545 ( -3.114 0.582 -0.035) 3.168 12.323 ( -2.528 0.623 -0.557) 2.662 12.486 ( -2.706 3.248 2.166) 4.750 12.621 ( -1.331 1.017 -0.598) 1.779 12.651 ( -0.191 -0.847 -1.268) 1.537 12.678 ( 0.527 3.033 0.061) 3.079 12.751 ( -1.346 4.996 0.254) 5.180 13.041 ( -4.810 0.341 -1.031) 4.931 13.184 ( -4.608 0.991 1.781) 5.039 13.255 ( -2.695 2.209 -1.746) 3.898 13.296 ( -4.625 2.189 0.596) 5.152 ======================= Grid point 93 (34/95) ======================= q-point: (-0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.204 ( 2.583 0.046 8.137) 8.537 0.384 ( -8.742 7.044 5.658) 12.572 0.441 ( 2.348 0.313 1.459) 2.782 0.524 ( -8.578 4.249 -2.517) 9.898 0.553 ( -8.411 -0.655 -0.427) 8.447 0.634 ( -17.242 14.607 1.288) 22.634 0.745 ( -13.458 13.811 -1.482) 19.340 0.817 ( -2.523 3.433 -2.493) 4.936 1.000 ( 0.834 -0.215 2.711) 2.844 1.148 ( -5.189 -1.372 -1.615) 5.605 1.355 ( -3.929 0.071 2.991) 4.938 1.444 ( -1.228 -3.527 0.293) 3.746 1.485 ( 1.839 3.526 -0.462) 4.003 1.600 ( -0.132 4.821 -1.934) 5.196 1.760 ( -3.956 0.475 -1.134) 4.143 1.901 ( -6.030 -2.276 -1.257) 6.567 2.106 ( -2.714 -0.746 -0.348) 2.836 2.114 ( -3.691 -1.188 0.608) 3.925 2.265 ( 1.274 -2.348 -0.237) 2.682 2.315 ( -1.188 -2.607 -0.180) 2.871 2.383 ( 1.443 3.026 -0.578) 3.402 2.425 ( -0.484 3.643 0.222) 3.681 2.678 ( 2.588 -0.206 -0.190) 2.603 2.687 ( 1.895 0.660 -0.055) 2.007 2.936 ( 0.403 -1.645 -0.171) 1.702 3.002 ( -0.043 -2.904 -0.086) 2.905 3.242 ( -3.179 2.342 1.775) 4.329 3.338 ( -3.209 1.387 -1.052) 3.651 3.545 ( -0.464 0.891 0.500) 1.122 3.572 ( 0.878 0.659 -0.545) 1.226 3.845 ( 3.607 -0.419 -0.159) 3.635 3.896 ( 2.644 3.559 0.478) 4.459 3.958 ( 1.212 -3.145 -0.405) 3.394 4.036 ( -1.880 3.412 0.100) 3.897 4.168 ( 4.313 1.112 0.280) 4.462 4.203 ( 3.052 1.226 -0.349) 3.307 4.384 ( -2.796 -2.485 -0.147) 3.744 4.459 ( -4.040 0.531 -1.737) 4.430 4.707 ( 0.383 -2.379 -1.318) 2.746 4.747 ( 0.329 0.768 0.446) 0.947 4.826 ( -2.002 -0.996 1.738) 2.832 4.909 ( -1.070 -0.718 -1.126) 1.712 5.329 ( 0.786 -0.424 -0.117) 0.901 5.377 ( 0.526 -0.606 0.308) 0.859 5.388 ( 0.318 0.075 -0.250) 0.411 5.415 ( 0.099 2.884 -2.111) 3.575 5.907 ( 0.705 -0.572 0.498) 1.035 5.931 ( 0.609 -0.029 -0.431) 0.747 8.480 ( -1.756 -0.592 -0.153) 1.859 8.502 ( -1.302 -0.118 0.785) 1.525 12.287 ( -0.768 0.256 -0.979) 1.270 12.417 ( -3.197 1.096 0.184) 3.384 12.574 ( -1.738 1.056 -0.096) 2.036 12.624 ( -2.061 0.337 0.761) 2.223 12.677 ( -0.527 2.335 1.484) 2.816 12.713 ( 2.185 1.410 -2.586) 3.667 12.969 ( -2.898 -0.177 -0.629) 2.971 13.095 ( -3.474 3.485 -1.500) 5.144 13.195 ( -1.934 1.643 -0.657) 2.621 13.204 ( -2.920 2.394 0.331) 3.790 ======================= Grid point 95 (35/95) ======================= q-point: ( 0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.284 ( -2.531 -0.000 -3.267) 4.133 0.420 ( 3.852 0.000 6.149) 7.256 0.523 ( 0.258 0.000 -1.087) 1.117 0.622 ( 3.077 0.000 0.168) 3.082 0.730 ( 12.876 0.000 -1.887) 13.013 0.753 ( 6.070 0.000 0.381) 6.082 0.972 ( 18.905 0.000 0.204) 18.906 0.978 ( 13.242 0.000 -2.596) 13.494 1.102 ( 0.850 0.000 5.654) 5.717 1.250 ( 8.619 0.000 -2.858) 9.080 1.407 ( 4.617 0.000 1.249) 4.783 1.461 ( 0.868 0.000 -0.777) 1.165 1.482 ( 1.571 0.000 0.997) 1.860 1.566 ( 2.169 0.000 -2.167) 3.066 1.904 ( 6.092 0.000 -2.426) 6.558 1.949 ( 6.858 0.000 2.681) 7.364 2.136 ( 0.891 0.000 -0.923) 1.283 2.203 ( 3.567 0.000 0.225) 3.574 2.280 ( -0.921 -0.000 0.263) 0.958 2.330 ( 3.034 0.000 -1.495) 3.382 2.341 ( -1.484 -0.000 0.822) 1.696 2.409 ( 0.923 0.000 0.569) 1.084 2.618 ( -3.044 -0.000 -0.260) 3.055 2.662 ( -2.512 -0.000 0.134) 2.516 2.980 ( 2.060 0.000 -1.494) 2.545 2.983 ( 0.418 0.000 1.506) 1.563 3.324 ( 5.449 0.000 2.207) 5.879 3.377 ( 4.132 0.000 -1.820) 4.515 3.532 ( -2.479 -0.000 -0.006) 2.479 3.539 ( -3.297 -0.000 -0.084) 3.298 3.780 ( -2.851 -0.000 -0.676) 2.930 3.837 ( -3.510 -0.000 0.882) 3.619 3.971 ( 1.552 0.000 -1.408) 2.095 4.013 ( -0.963 -0.000 1.037) 1.415 4.117 ( -2.083 -0.000 1.376) 2.497 4.154 ( 0.021 0.000 -1.216) 1.216 4.455 ( 2.204 0.000 0.730) 2.322 4.478 ( 2.237 0.000 -1.313) 2.594 4.697 ( -0.849 -0.000 -0.422) 0.948 4.732 ( -1.968 -0.000 -0.018) 1.968 4.881 ( -0.838 -0.000 1.471) 1.693 4.919 ( 0.228 0.000 -1.417) 1.435 5.347 ( -1.354 -0.000 0.817) 1.581 5.351 ( -0.577 -0.000 -1.501) 1.608 5.363 ( -0.351 -0.000 0.549) 0.652 5.388 ( -0.605 -0.000 -0.363) 0.706 5.890 ( -1.169 -0.000 0.403) 1.237 5.920 ( -0.946 -0.000 -0.337) 1.004 8.513 ( 1.930 0.000 0.218) 1.942 8.549 ( 0.932 0.000 -0.265) 0.969 12.340 ( 3.228 0.000 -1.873) 3.732 12.433 ( 3.910 0.000 3.203) 5.054 12.560 ( -2.251 -0.000 -0.006) 2.251 12.639 ( 2.388 0.000 -1.632) 2.892 12.668 ( 3.886 0.000 1.024) 4.019 12.730 ( -1.312 -0.000 -0.819) 1.547 13.045 ( 7.482 0.000 -2.188) 7.795 13.136 ( 4.362 0.000 2.827) 5.198 13.236 ( 5.874 0.000 -1.198) 5.995 13.272 ( 4.125 0.000 0.523) 4.158 ======================= Grid point 96 (36/95) ======================= q-point: ( 0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.301 ( 3.928 -2.078 -3.694) 5.779 0.482 ( 1.760 -0.336 -1.318) 2.225 0.567 ( 4.653 0.962 3.463) 5.880 0.630 ( 0.077 -2.077 -1.112) 2.357 0.842 ( 8.167 5.851 0.404) 10.055 0.979 ( 8.283 -4.368 -0.571) 9.381 1.093 ( 2.930 -1.090 -4.000) 5.076 1.128 ( 1.104 0.359 5.146) 5.275 1.183 ( 5.414 -2.484 -0.364) 5.968 1.374 ( 3.796 -0.184 -0.559) 3.841 1.478 ( 2.720 1.609 -0.116) 3.162 1.512 ( 2.588 0.141 0.789) 2.710 1.527 ( 3.340 -0.679 -0.443) 3.437 1.615 ( 2.010 -3.086 -0.912) 3.794 2.009 ( 6.104 1.208 -0.370) 6.233 2.064 ( 4.708 1.117 -0.082) 4.839 2.142 ( -0.410 -4.344 0.545) 4.398 2.223 ( -0.443 -1.092 -0.938) 1.506 2.279 ( 3.067 3.187 0.578) 4.460 2.316 ( -0.566 2.956 1.022) 3.178 2.430 ( 5.903 -3.554 -0.982) 6.960 2.440 ( 2.133 -0.630 0.723) 2.339 2.572 ( -0.617 1.503 0.242) 1.642 2.615 ( -2.374 0.933 -0.322) 2.571 3.001 ( 2.851 0.677 1.185) 3.161 3.033 ( 3.717 -0.561 -1.132) 3.926 3.357 ( -6.001 0.659 -0.242) 6.042 3.428 ( -5.246 -1.303 0.615) 5.441 3.452 ( 4.265 0.725 0.144) 4.328 3.541 ( 1.614 -3.705 -0.593) 4.085 3.773 ( 1.251 -1.459 -0.331) 1.950 3.817 ( 0.983 0.034 0.428) 1.073 3.965 ( 1.347 2.753 -0.396) 3.091 4.044 ( 0.753 -3.877 -0.251) 3.957 4.107 ( 0.158 -0.129 1.544) 1.558 4.187 ( 2.787 -1.774 -0.923) 3.430 4.457 ( 0.897 3.293 0.093) 3.415 4.520 ( 0.750 -2.137 -0.165) 2.270 4.662 ( -1.410 1.972 -0.227) 2.435 4.709 ( -1.806 -1.864 -0.028) 2.596 4.860 ( -1.224 1.043 1.214) 2.015 4.905 ( -1.194 0.403 -1.126) 1.690 5.290 ( -2.201 3.259 0.052) 3.933 5.341 ( -1.319 -0.435 -0.113) 1.394 5.354 ( -1.724 -0.697 0.350) 1.892 5.374 ( -1.298 -0.638 -0.314) 1.480 5.864 ( -1.207 1.019 0.226) 1.596 5.904 ( -1.046 -0.500 -0.170) 1.171 8.533 ( 1.203 1.959 0.237) 2.311 8.579 ( 1.708 -1.658 -0.282) 2.397 12.384 ( 3.167 0.871 -0.788) 3.378 12.499 ( 0.233 -0.578 3.352) 3.409 12.561 ( 1.823 -3.939 -0.806) 4.415 12.675 ( 1.672 0.738 -1.141) 2.155 12.695 ( -0.266 -0.087 -0.933) 0.974 12.756 ( 3.188 -2.406 0.374) 4.012 13.158 ( 6.455 0.877 -1.581) 6.703 13.218 ( 3.497 -0.569 2.047) 4.092 13.334 ( 5.317 -0.066 -1.078) 5.426 13.353 ( 4.147 -1.074 0.632) 4.330 ======================= Grid point 97 (37/95) ======================= q-point: ( 0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.399 ( 4.926 -2.316 -2.267) 5.896 0.511 ( 1.735 -0.544 -1.425) 2.310 0.596 ( -0.064 1.087 -1.668) 1.992 0.695 ( 3.533 -1.254 3.303) 4.996 0.902 ( 5.145 4.892 0.180) 7.102 1.029 ( -1.126 1.575 -2.462) 3.132 1.141 ( -1.071 -0.741 2.083) 2.457 1.197 ( 7.061 -0.964 -0.451) 7.141 1.263 ( 0.318 -5.285 -0.235) 5.300 1.388 ( 0.820 5.765 0.284) 5.830 1.485 ( 0.991 0.358 -0.416) 1.133 1.530 ( -0.664 1.518 -0.522) 1.738 1.550 ( 1.429 -0.912 0.356) 1.732 1.678 ( 0.323 -4.564 -0.219) 4.581 2.011 ( -1.569 1.451 -0.095) 2.139 2.101 ( -2.616 -2.042 0.091) 3.320 2.177 ( 0.922 -0.363 0.853) 1.307 2.224 ( -3.376 0.291 0.147) 3.392 2.291 ( 2.180 2.301 -1.452) 3.486 2.313 ( 2.248 -1.363 0.548) 2.685 2.465 ( 0.557 0.773 0.907) 1.315 2.552 ( 1.266 4.787 -0.062) 4.953 2.589 ( 4.562 -5.022 -0.626) 6.814 2.614 ( 5.511 0.649 0.505) 5.572 3.057 ( 2.197 -0.217 0.671) 2.308 3.089 ( -0.388 -0.285 -0.132) 0.499 3.238 ( -2.611 -0.115 -1.175) 2.866 3.340 ( -2.616 -0.643 0.505) 2.740 3.543 ( 4.440 0.972 0.108) 4.546 3.598 ( 2.086 -0.339 -0.098) 2.116 3.825 ( 1.853 -2.544 -0.053) 3.148 3.861 ( 3.005 -0.547 0.170) 3.059 3.968 ( 0.333 0.568 -0.204) 0.689 4.087 ( 1.829 -0.326 -0.350) 1.891 4.137 ( 1.025 -2.565 1.110) 2.977 4.252 ( 2.621 -1.021 -0.565) 2.869 4.433 ( -0.129 2.914 0.033) 2.917 4.542 ( -0.135 -1.495 -0.020) 1.501 4.635 ( 0.045 0.024 -0.126) 0.136 4.705 ( -0.785 -2.298 -0.072) 2.430 4.829 ( -1.322 1.255 0.762) 1.976 4.867 ( -2.022 1.018 -0.645) 2.354 5.219 ( -2.010 3.092 -0.012) 3.688 5.310 ( -1.492 1.162 -0.001) 1.891 5.335 ( -1.739 -1.687 0.092) 2.425 5.355 ( -1.361 -0.546 -0.066) 1.468 5.835 ( -0.830 1.077 0.056) 1.361 5.893 ( -0.856 -0.583 -0.015) 1.036 8.525 ( 0.289 2.096 0.037) 2.116 8.621 ( 0.755 -1.893 -0.065) 2.039 12.424 ( 2.005 0.273 -0.264) 2.040 12.507 ( -0.335 -1.653 1.469) 2.237 12.635 ( 0.902 -1.613 0.556) 1.930 12.657 ( 0.280 0.266 -1.957) 1.995 12.734 ( 2.895 -0.679 0.649) 3.043 12.832 ( 2.641 -2.474 -0.354) 3.636 13.228 ( 2.576 0.937 -0.995) 2.916 13.268 ( 2.380 1.208 1.309) 2.973 13.402 ( 2.699 0.247 -0.686) 2.796 13.424 ( 2.654 -0.672 0.321) 2.756 ======================= Grid point 98 (38/95) ======================= q-point: (-0.56 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.477 ( 2.242 -0.310 -1.937) 2.979 0.534 ( 0.892 0.848 -0.509) 1.332 0.561 ( -0.985 1.834 -1.257) 2.432 0.757 ( 2.458 0.464 2.458) 3.507 0.936 ( 3.503 3.904 0.083) 5.246 0.976 ( -2.036 0.875 -1.815) 2.864 1.108 ( -4.074 -1.402 0.715) 4.367 1.277 ( 0.949 2.410 -0.078) 2.591 1.318 ( 0.234 -0.410 0.765) 0.899 1.324 ( 1.722 2.056 -0.853) 2.814 1.507 ( 1.594 1.549 -0.238) 2.235 1.531 ( 3.264 0.320 -0.525) 3.321 1.583 ( 1.572 0.132 0.290) 1.604 1.720 ( 0.038 -4.470 -0.028) 4.471 1.941 ( -6.689 -0.332 0.065) 6.698 2.056 ( -5.075 -3.668 0.551) 6.286 2.137 ( -3.373 0.146 -0.252) 3.385 2.170 ( -3.376 -0.062 0.438) 3.405 2.294 ( -1.350 -1.621 -0.584) 2.189 2.365 ( 2.109 -0.975 -0.936) 2.505 2.468 ( 1.401 2.379 1.673) 3.228 2.530 ( 2.824 6.407 -0.399) 7.013 2.668 ( 1.853 0.488 -1.542) 2.460 2.691 ( 0.563 -0.514 1.764) 1.922 3.001 ( -6.267 -1.504 0.865) 6.503 3.071 ( -2.305 -1.569 -0.669) 2.868 3.295 ( 7.650 2.031 -0.930) 7.970 3.378 ( 5.672 0.933 0.861) 5.812 3.574 ( 1.648 2.982 -0.300) 3.420 3.624 ( 2.000 1.516 0.195) 2.517 3.871 ( 0.479 -1.080 0.033) 1.182 3.897 ( 0.401 -0.177 -0.019) 0.439 3.950 ( -1.877 -0.025 -0.135) 1.882 4.112 ( 0.682 0.036 -0.114) 0.693 4.173 ( 0.629 -0.876 0.582) 1.225 4.278 ( 0.305 0.945 -0.310) 1.040 4.403 ( -0.133 1.952 0.016) 1.957 4.546 ( -1.044 -1.193 -0.047) 1.586 4.659 ( 1.161 -1.107 -0.003) 1.604 4.730 ( 0.661 -2.401 -0.274) 2.506 4.796 ( -0.884 1.511 0.124) 1.755 4.828 ( -1.036 -0.020 0.186) 1.052 5.176 ( -0.028 1.391 -0.073) 1.393 5.285 ( -0.189 0.246 -0.007) 0.310 5.325 ( -1.384 -1.848 0.053) 2.309 5.350 ( 0.069 -0.992 -0.016) 0.995 5.819 ( -0.081 0.429 -0.045) 0.439 5.889 ( -0.202 -0.729 0.059) 0.759 8.506 ( -0.486 1.299 0.002) 1.387 8.633 ( -1.260 -1.348 -0.012) 1.845 12.440 ( 0.037 0.460 0.258) 0.529 12.529 ( 0.625 -1.598 0.292) 1.740 12.624 ( 0.200 1.488 -0.386) 1.551 12.676 ( -0.189 -1.167 -0.990) 1.542 12.790 ( 2.590 0.818 1.918) 3.324 12.886 ( 1.911 -0.619 -0.956) 2.225 13.213 ( -2.314 1.440 -0.255) 2.737 13.290 ( 1.351 1.810 0.644) 2.348 13.411 ( -0.766 0.924 -0.779) 1.431 13.452 ( 0.252 0.574 0.271) 0.683 ======================= Grid point 99 (39/95) ======================= q-point: (-0.44 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.446 ( -1.066 4.586 -3.456) 5.841 0.517 ( -0.649 2.571 0.414) 2.684 0.550 ( 0.530 1.523 1.567) 2.248 0.785 ( 0.941 1.090 0.626) 1.570 0.919 ( 0.451 6.771 0.220) 6.789 0.946 ( -1.591 -0.706 -1.558) 2.336 1.035 ( -5.534 0.009 0.485) 5.555 1.226 ( -2.321 3.423 0.275) 4.145 1.294 ( 1.248 2.059 0.067) 2.408 1.374 ( 0.469 -1.206 -0.207) 1.311 1.543 ( 3.465 1.408 -0.236) 3.748 1.574 ( 2.871 3.557 -0.721) 4.628 1.592 ( 0.921 2.475 0.372) 2.667 1.767 ( -0.147 1.886 -0.116) 1.895 1.810 ( -7.135 -5.721 0.656) 9.169 2.009 ( -5.348 -4.036 -0.624) 6.729 2.074 ( -5.034 -2.613 0.067) 5.672 2.139 ( -1.387 -2.984 0.014) 3.290 2.271 ( -3.071 -2.148 -0.348) 3.764 2.410 ( 2.944 0.182 -1.274) 3.213 2.462 ( -2.791 4.967 1.735) 5.956 2.479 ( 0.201 4.100 0.416) 4.126 2.648 ( -0.189 4.061 -0.417) 4.087 2.676 ( 0.471 2.086 0.178) 2.146 2.930 ( -4.572 -1.990 1.191) 5.127 3.025 ( -4.106 -1.217 -0.894) 4.374 3.425 ( 8.549 2.194 -0.540) 8.842 3.434 ( 1.309 3.737 0.485) 3.989 3.569 ( 2.250 3.213 0.703) 3.985 3.661 ( 4.537 0.856 -0.531) 4.647 3.821 ( -4.574 1.780 -0.015) 4.909 3.886 ( -1.295 1.744 0.056) 2.173 3.930 ( -0.483 -0.203 -0.228) 0.571 4.112 ( -0.964 -1.801 0.257) 2.059 4.183 ( 2.136 3.264 -0.273) 3.911 4.249 ( -1.490 1.964 0.158) 2.470 4.398 ( 0.471 0.207 -0.021) 0.515 4.527 ( -2.319 -1.104 -0.040) 2.568 4.660 ( -0.735 1.519 -0.140) 1.693 4.749 ( -0.065 -0.546 -0.030) 0.550 4.787 ( 0.060 -1.042 0.280) 1.081 4.844 ( 0.674 -2.525 -0.062) 2.614 5.195 ( 2.345 -0.899 -0.045) 2.512 5.302 ( 1.424 -0.931 0.012) 1.701 5.332 ( -0.148 -2.262 0.016) 2.267 5.372 ( 1.008 -1.477 -0.019) 1.788 5.825 ( 0.803 -0.415 -0.054) 0.905 5.900 ( 0.482 -0.847 0.046) 0.976 8.486 ( -1.001 0.140 0.003) 1.011 8.604 ( -3.125 -0.683 -0.010) 3.199 12.416 ( -1.249 2.096 0.250) 2.453 12.554 ( 0.580 -0.449 -0.128) 0.745 12.619 ( 0.234 0.291 0.087) 0.384 12.667 ( -1.145 -0.242 -0.874) 1.460 12.802 ( 1.050 4.046 1.646) 4.493 12.900 ( 1.131 2.853 -0.833) 3.180 13.139 ( -4.250 1.052 -0.481) 4.405 13.274 ( -1.552 2.109 1.589) 3.063 13.364 ( -2.505 1.489 -1.661) 3.354 13.422 ( -2.164 1.984 0.394) 2.962 ======================= Grid point 100 (40/95) ======================= q-point: (-0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.375 ( 1.133 7.603 -1.980) 7.937 0.474 ( -0.789 3.314 1.448) 3.702 0.542 ( 0.066 1.880 1.700) 2.535 0.761 ( -2.226 2.410 -0.336) 3.298 0.821 ( -3.828 7.289 -0.318) 8.239 0.881 ( -3.211 5.278 -1.083) 6.272 0.964 ( -0.239 1.810 1.096) 2.129 1.158 ( -2.764 1.079 -0.447) 3.001 1.280 ( -2.151 2.326 -0.273) 3.180 1.335 ( -3.968 5.448 0.163) 6.742 1.499 ( -3.556 7.176 -0.799) 8.049 1.556 ( -1.909 4.185 0.518) 4.629 1.588 ( 2.529 5.398 0.532) 5.985 1.668 ( -1.720 1.031 -0.432) 2.051 1.841 ( -3.490 -4.966 1.526) 6.258 1.930 ( -3.882 0.148 -1.967) 4.355 2.048 ( -2.623 -4.899 -0.477) 5.577 2.160 ( -1.777 -4.365 0.383) 4.728 2.247 ( -1.141 -0.992 -1.048) 1.839 2.291 ( -6.528 5.432 0.427) 8.503 2.449 ( 1.758 3.246 -0.045) 3.691 2.470 ( 1.294 0.379 1.290) 1.866 2.643 ( 2.917 1.634 -0.494) 3.380 2.671 ( 2.013 3.140 -0.024) 3.730 2.891 ( -2.914 -2.933 0.993) 4.252 2.964 ( -3.378 -0.539 -0.638) 3.480 3.367 ( -3.596 2.394 0.033) 4.320 3.467 ( -1.390 3.308 0.247) 3.596 3.600 ( 3.087 2.910 0.224) 4.248 3.671 ( -2.679 4.327 -0.118) 5.090 3.799 ( 3.812 -0.576 -0.062) 3.856 3.851 ( 1.913 1.322 -0.172) 2.332 3.940 ( 1.887 0.561 -0.017) 1.968 4.114 ( -1.216 -1.122 0.135) 1.660 4.187 ( 3.285 5.022 -0.769) 6.050 4.218 ( 1.069 2.119 0.609) 2.450 4.399 ( -0.482 0.430 0.033) 0.646 4.491 ( -3.364 -1.610 -0.066) 3.730 4.635 ( -0.403 -0.041 -0.312) 0.512 4.751 ( -0.062 -0.324 0.235) 0.405 4.796 ( -1.313 -2.137 0.634) 2.587 4.874 ( -0.377 -2.597 -0.582) 2.687 5.258 ( 2.925 -1.763 -0.005) 3.415 5.338 ( 1.230 -1.162 0.107) 1.695 5.359 ( 0.751 -1.794 -0.026) 1.945 5.408 ( 1.299 -1.551 -0.204) 2.033 5.853 ( 1.497 -1.004 0.002) 1.803 5.917 ( 0.469 -0.652 -0.005) 0.803 8.470 ( -1.165 -0.890 0.008) 1.466 8.547 ( -3.726 -0.320 -0.004) 3.740 12.368 ( -0.889 3.463 -0.005) 3.576 12.538 ( -1.823 1.971 1.034) 2.877 12.627 ( -0.202 -1.224 -0.868) 1.514 12.639 ( -1.870 0.336 -0.581) 1.987 12.768 ( 0.932 5.779 0.564) 5.881 12.862 ( -0.359 5.845 0.211) 5.859 13.061 ( -2.858 1.373 -0.991) 3.322 13.206 ( -4.144 1.574 1.856) 4.805 13.304 ( -1.520 2.521 -2.101) 3.617 13.348 ( -3.436 3.051 0.675) 4.645 ======================= Grid point 101 (41/95) ======================= q-point: (-0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.341 ( 3.496 7.489 4.179) 9.262 0.447 ( 0.121 1.878 1.593) 2.465 0.520 ( -0.340 3.647 1.593) 3.994 0.609 ( -6.467 9.134 0.032) 11.191 0.685 ( -2.418 9.934 -1.058) 10.279 0.815 ( 1.435 3.129 -2.505) 4.257 0.978 ( 3.260 3.792 0.845) 5.071 1.080 ( -6.560 10.640 0.234) 12.502 1.081 ( -9.848 15.929 0.158) 18.728 1.138 ( -4.748 5.042 -1.252) 7.038 1.382 ( -3.541 3.820 0.809) 5.271 1.440 ( -3.493 3.274 0.460) 4.810 1.583 ( 2.399 5.553 0.388) 6.062 1.659 ( 0.129 1.360 -1.234) 1.841 1.776 ( -3.310 0.430 0.370) 3.359 1.882 ( -4.216 0.317 -0.861) 4.315 2.052 ( -2.495 -3.891 -0.112) 4.624 2.101 ( -3.229 0.595 -0.510) 3.322 2.227 ( -1.469 -2.244 1.398) 3.025 2.256 ( 0.667 -1.853 -1.860) 2.709 2.457 ( 1.857 3.148 0.154) 3.658 2.480 ( 0.612 1.724 0.850) 2.018 2.679 ( 1.632 1.259 0.386) 2.097 2.695 ( 3.620 0.143 -0.959) 3.748 2.895 ( -0.817 -3.547 0.356) 3.657 2.926 ( -2.005 -2.112 -0.307) 2.928 3.294 ( -2.227 2.231 0.685) 3.226 3.377 ( -4.017 2.481 -0.072) 4.722 3.576 ( -1.756 1.965 0.459) 2.676 3.603 ( -0.418 2.537 -0.595) 2.639 3.856 ( 3.160 1.057 0.284) 3.344 3.911 ( 2.197 -1.314 -0.406) 2.592 3.972 ( 3.632 3.196 0.154) 4.841 4.083 ( -2.330 1.059 -0.024) 2.560 4.211 ( 4.319 3.048 -0.121) 5.288 4.243 ( 3.602 2.881 -0.048) 4.612 4.369 ( -1.622 1.055 0.224) 1.948 4.443 ( -3.996 -1.657 -0.483) 4.352 4.654 ( 1.057 -2.423 -0.284) 2.658 4.751 ( -0.780 -0.515 0.095) 0.940 4.792 ( -1.586 -2.276 1.383) 3.100 4.880 ( -1.173 -2.217 -1.148) 2.758 5.319 ( 2.331 -1.071 0.046) 2.565 5.363 ( 0.371 -1.024 0.190) 1.105 5.382 ( 0.269 -0.652 0.202) 0.733 5.439 ( 0.948 -0.692 -1.311) 1.759 5.891 ( 1.477 -0.971 0.127) 1.772 5.926 ( -0.097 -0.504 -0.117) 0.527 8.462 ( -1.138 -1.188 0.050) 1.645 8.496 ( -2.253 -0.480 0.164) 2.310 12.330 ( 1.110 3.949 -0.203) 4.107 12.462 ( -4.242 3.231 0.716) 5.380 12.596 ( -1.583 0.664 -0.416) 1.766 12.621 ( -1.616 -0.708 -0.234) 1.780 12.743 ( 1.852 4.665 -0.204) 5.023 12.789 ( -0.942 5.802 0.262) 5.884 13.002 ( -1.896 3.054 0.943) 3.717 13.138 ( -1.624 1.235 -1.947) 2.820 13.250 ( -0.645 3.475 -1.315) 3.771 13.263 ( -2.686 3.226 0.750) 4.265 ======================= Grid point 102 (42/95) ======================= q-point: (-0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.357 ( 0.715 5.135 10.805) 11.985 0.375 ( 0.445 11.612 2.411) 11.869 0.466 ( -2.649 5.433 -0.890) 6.109 0.505 ( 2.750 7.704 1.858) 8.388 0.535 ( -0.924 7.219 -0.660) 7.308 0.718 ( 1.735 27.068 1.565) 27.169 0.771 ( -1.131 17.159 -3.184) 17.489 0.828 ( -0.523 4.688 -3.623) 5.948 1.034 ( -0.200 0.685 1.225) 1.418 1.091 ( 0.159 0.104 -1.057) 1.074 1.328 ( 0.999 -0.200 3.131) 3.292 1.405 ( -0.097 -1.465 -0.938) 1.742 1.555 ( -0.339 4.726 1.188) 4.885 1.626 ( 0.042 4.351 -1.993) 4.786 1.739 ( -2.629 1.501 0.864) 3.148 1.797 ( 1.790 2.458 -2.230) 3.771 2.056 ( 0.288 -2.431 0.814) 2.580 2.084 ( 0.089 -0.633 -0.563) 0.852 2.244 ( -0.653 -4.314 0.911) 4.457 2.285 ( 0.720 -1.702 -1.057) 2.129 2.432 ( 0.086 4.120 0.013) 4.121 2.453 ( -0.471 4.101 -0.129) 4.130 2.688 ( -0.507 -0.319 0.709) 0.928 2.741 ( 0.914 0.636 -1.941) 2.237 2.919 ( 0.280 -3.015 0.037) 3.028 2.939 ( -1.446 -4.624 -0.527) 4.874 3.250 ( 0.153 3.303 1.911) 3.820 3.318 ( -0.329 1.578 -1.122) 1.964 3.548 ( -0.125 0.867 0.709) 1.127 3.584 ( 0.107 0.976 -0.819) 1.279 3.883 ( 0.466 0.439 0.820) 1.041 3.926 ( -0.419 0.007 -1.131) 1.206 3.993 ( 0.330 2.878 1.167) 3.123 4.028 ( -0.287 2.165 -0.558) 2.254 4.234 ( 0.298 2.665 0.183) 2.688 4.249 ( -0.334 2.250 -0.406) 2.311 4.352 ( -0.281 -0.197 0.658) 0.741 4.395 ( -0.278 0.147 -1.635) 1.665 4.711 ( 1.387 -2.273 0.706) 2.755 4.739 ( 0.375 -1.268 -0.911) 1.606 4.796 ( -0.783 -1.301 2.548) 2.966 4.887 ( 0.655 -1.758 -1.818) 2.612 5.347 ( -0.116 0.689 0.609) 0.927 5.372 ( -0.346 -0.826 -0.080) 0.900 5.386 ( 0.075 -0.595 0.045) 0.602 5.436 ( -0.077 2.171 -3.487) 4.108 5.911 ( -0.203 -0.320 0.440) 0.580 5.930 ( 0.175 -0.754 -0.407) 0.875 8.471 ( 1.431 -1.534 0.815) 2.251 8.483 ( -0.442 -1.036 0.083) 1.129 12.320 ( -1.250 4.052 0.744) 4.306 12.362 ( 0.572 2.910 -1.583) 3.362 12.582 ( 0.893 1.111 0.316) 1.460 12.597 ( -0.931 0.140 0.275) 0.981 12.695 ( -1.565 4.795 1.012) 5.145 12.761 ( 1.735 2.461 -1.632) 3.425 12.940 ( -2.210 2.872 2.503) 4.404 13.106 ( 1.404 3.851 -6.123) 7.368 13.196 ( -2.061 3.625 -0.510) 4.201 13.214 ( 0.775 3.229 -0.606) 3.375 ======================= Grid point 105 (43/95) ======================= q-point: ( 0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.372 ( 5.829 0.000 -2.144) 6.211 0.504 ( 2.104 0.000 -1.890) 2.828 0.607 ( -0.444 -0.000 -2.161) 2.206 0.684 ( 5.372 0.000 3.796) 6.578 1.004 ( 3.731 0.000 0.086) 3.732 1.058 ( 4.881 0.000 -0.385) 4.896 1.083 ( -0.553 -0.000 -2.797) 2.851 1.149 ( -1.213 -0.000 3.443) 3.650 1.242 ( 4.865 0.000 -0.972) 4.961 1.429 ( 3.495 0.000 -0.211) 3.501 1.521 ( 1.159 0.000 0.214) 1.179 1.548 ( 1.721 0.000 0.306) 1.748 1.577 ( 0.519 0.000 -0.790) 0.945 1.583 ( -2.478 -0.000 -0.098) 2.480 2.033 ( -5.246 -0.000 -0.745) 5.298 2.065 ( -1.673 -0.000 0.916) 1.907 2.175 ( 2.876 0.000 1.334) 3.170 2.222 ( 0.939 0.000 -1.158) 1.491 2.296 ( -3.195 -0.000 2.217) 3.889 2.325 ( 0.987 0.000 -2.853) 3.018 2.478 ( 2.643 0.000 1.780) 3.187 2.522 ( 5.596 0.000 -0.069) 5.596 2.618 ( 2.245 0.000 -0.979) 2.449 2.621 ( 4.427 0.000 0.325) 4.439 3.052 ( 1.784 0.000 0.346) 1.817 3.085 ( -0.730 -0.000 0.185) 0.753 3.235 ( -1.823 -0.000 -1.554) 2.395 3.334 ( -2.761 -0.000 0.676) 2.843 3.566 ( 6.658 0.000 0.666) 6.691 3.588 ( 4.175 0.000 -0.596) 4.217 3.797 ( 2.108 0.000 0.027) 2.109 3.847 ( 2.023 0.000 0.121) 2.026 4.014 ( 0.497 0.000 0.771) 0.917 4.028 ( 1.240 0.000 -1.386) 1.860 4.138 ( 2.360 0.000 1.973) 3.076 4.229 ( 3.467 0.000 -1.271) 3.693 4.487 ( -0.329 -0.000 0.230) 0.402 4.504 ( -0.175 -0.000 -0.204) 0.269 4.654 ( -0.936 -0.000 -0.230) 0.964 4.666 ( -1.042 -0.000 0.022) 1.043 4.842 ( -1.548 -0.000 1.106) 1.902 4.876 ( -2.019 -0.000 -1.042) 2.272 5.281 ( -2.118 -0.000 0.477) 2.171 5.286 ( -2.269 -0.000 -0.515) 2.327 5.333 ( -1.494 -0.000 0.540) 1.589 5.340 ( -1.804 -0.000 -0.452) 1.860 5.850 ( -1.065 -0.000 0.168) 1.079 5.883 ( -0.974 -0.000 -0.107) 0.980 8.568 ( 0.390 0.000 0.869) 0.953 8.580 ( 0.525 0.000 -0.905) 1.047 12.434 ( 2.112 0.000 0.078) 2.113 12.483 ( -0.933 -0.000 0.830) 1.248 12.606 ( 3.558 0.000 1.179) 3.748 12.670 ( -0.811 -0.000 -2.087) 2.239 12.727 ( 3.291 0.000 0.322) 3.307 12.804 ( 3.455 0.000 -0.257) 3.464 13.240 ( 2.735 0.000 -0.953) 2.897 13.281 ( 3.112 0.000 1.327) 3.384 13.407 ( 3.029 0.000 -1.006) 3.192 13.415 ( 3.407 0.000 0.639) 3.466 ======================= Grid point 106 (44/95) ======================= q-point: ( 0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.468 ( 4.869 -0.375 -0.826) 4.953 0.541 ( 2.251 0.067 -1.127) 2.518 0.587 ( -0.901 0.694 -1.924) 2.235 0.766 ( 3.450 0.347 2.559) 4.310 0.997 ( -2.593 0.873 -2.124) 3.464 1.039 ( 2.730 5.979 0.005) 6.573 1.086 ( -3.664 -0.416 1.317) 3.916 1.191 ( 1.209 -6.703 0.177) 6.814 1.339 ( 6.295 2.140 -0.850) 6.703 1.464 ( -0.236 7.141 -0.373) 7.154 1.503 ( 1.224 -0.952 0.886) 1.786 1.546 ( 1.550 0.528 -0.465) 1.702 1.581 ( 2.164 -0.467 0.148) 2.219 1.608 ( -1.697 -6.087 -0.290) 6.325 1.934 ( -6.023 -0.340 -0.436) 6.049 2.012 ( -4.583 -0.990 1.290) 4.863 2.164 ( -4.120 0.949 0.594) 4.270 2.186 ( -2.028 2.655 0.137) 3.343 2.255 ( -3.081 -1.321 -0.052) 3.353 2.340 ( 0.818 -2.272 -2.098) 3.199 2.518 ( 2.303 1.946 1.996) 3.616 2.607 ( 2.311 -2.777 -0.455) 3.641 2.645 ( 3.548 4.539 -0.063) 5.761 2.710 ( 3.867 -0.227 -0.127) 3.875 2.982 ( -7.219 -0.413 0.818) 7.277 3.039 ( -3.116 -1.228 -0.925) 3.474 3.329 ( 9.439 1.137 -1.685) 9.655 3.385 ( 7.225 -0.045 1.516) 7.383 3.635 ( 2.733 2.414 -0.186) 3.651 3.659 ( 3.857 1.447 0.259) 4.127 3.834 ( 1.188 -1.599 0.328) 2.019 3.879 ( 0.079 -1.569 -0.236) 1.589 3.981 ( -0.673 3.528 -0.060) 3.592 4.065 ( -1.033 -4.245 -0.354) 4.383 4.184 ( 3.222 1.360 1.640) 3.863 4.283 ( 2.231 -0.373 -1.118) 2.523 4.454 ( -0.836 2.795 0.001) 2.917 4.511 ( -1.153 -2.200 0.019) 2.484 4.645 ( 1.036 0.347 -0.060) 1.094 4.681 ( 0.792 -2.300 -0.176) 2.439 4.818 ( -1.204 0.608 0.790) 1.563 4.834 ( -2.208 0.281 -0.607) 2.307 5.221 ( -1.295 2.844 -0.047) 3.125 5.277 ( -1.827 -2.619 -0.106) 3.195 5.301 ( -1.050 0.931 0.162) 1.412 5.326 ( -0.828 -1.376 -0.013) 1.606 5.832 ( -0.506 0.654 -0.023) 0.827 5.873 ( -0.551 -0.732 0.068) 0.919 8.543 ( -0.941 2.319 0.231) 2.513 8.595 ( -1.056 -2.307 -0.244) 2.549 12.454 ( 0.879 1.022 0.530) 1.449 12.493 ( 0.660 -1.779 0.614) 1.995 12.647 ( 0.536 0.365 -0.493) 0.815 12.656 ( 0.096 -0.299 -1.670) 1.699 12.798 ( 4.233 0.133 2.417) 4.876 12.867 ( 3.574 -0.800 -1.274) 3.877 13.243 ( -1.615 1.087 -0.045) 1.948 13.321 ( 1.726 0.971 0.501) 2.043 13.426 ( -0.334 0.455 -0.803) 0.982 13.461 ( 1.582 0.290 0.257) 1.628 ======================= Grid point 107 (45/95) ======================= q-point: (-0.56 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.509 ( 0.604 1.909 -2.083) 2.889 0.556 ( 0.525 1.501 -0.183) 1.600 0.578 ( 1.235 0.885 1.262) 1.975 0.811 ( 2.135 1.387 0.364) 2.572 0.944 ( -1.266 0.574 -1.532) 2.069 1.002 ( -3.666 0.748 0.945) 3.859 1.062 ( 2.486 4.011 0.004) 4.719 1.253 ( -0.382 -3.059 0.080) 3.083 1.357 ( 0.014 3.822 0.748) 3.894 1.389 ( 0.118 5.170 -0.857) 5.242 1.559 ( 3.634 -0.226 -0.665) 3.701 1.588 ( 1.650 -2.806 0.262) 3.266 1.630 ( 2.950 0.173 -0.214) 2.963 1.656 ( 0.708 -5.052 0.357) 5.114 1.834 ( -4.940 1.046 -0.276) 5.057 1.950 ( -3.749 -0.988 0.647) 3.930 2.074 ( -3.685 2.194 -0.111) 4.290 2.117 ( -2.761 1.501 0.585) 3.196 2.219 ( -3.035 -2.532 -0.975) 4.071 2.384 ( 1.850 -2.618 -0.808) 3.306 2.534 ( 1.253 2.548 2.431) 3.738 2.586 ( -2.792 4.052 -1.708) 5.209 2.689 ( 2.890 0.679 0.963) 3.121 2.720 ( -0.065 2.725 -0.823) 2.847 2.899 ( -4.129 -1.403 1.090) 4.495 2.993 ( -3.620 -1.758 -0.900) 4.124 3.478 ( 9.982 2.853 -0.633) 10.402 3.509 ( 4.985 3.168 0.697) 5.948 3.631 ( 0.982 3.017 0.440) 3.203 3.680 ( 2.136 1.432 -0.308) 2.590 3.841 ( -3.565 -0.049 0.043) 3.565 3.885 ( 0.265 -1.723 -0.062) 1.744 3.944 ( -0.160 1.823 -0.124) 1.834 4.064 ( -2.383 -2.839 -0.090) 3.708 4.231 ( 3.212 1.550 1.442) 3.847 4.293 ( 0.404 2.101 -1.199) 2.453 4.419 ( -0.342 1.863 0.015) 1.894 4.501 ( -2.317 -1.602 0.006) 2.817 4.670 ( 0.800 -0.372 0.024) 0.882 4.717 ( 0.278 -2.157 -0.302) 2.196 4.787 ( -1.627 0.438 -0.283) 1.709 4.811 ( -0.465 -0.696 0.580) 1.018 5.196 ( 0.860 0.917 -0.058) 1.259 5.278 ( -0.847 -2.847 -0.051) 2.971 5.292 ( 0.644 0.004 0.058) 0.647 5.338 ( 0.335 -1.845 0.023) 1.875 5.826 ( 0.430 0.354 -0.106) 0.567 5.880 ( 0.184 -1.146 0.117) 1.166 8.501 ( -1.793 1.345 0.196) 2.250 8.580 ( -2.861 -1.637 -0.189) 3.302 12.453 ( 0.410 1.705 0.658) 1.873 12.531 ( 1.454 -1.631 0.138) 2.190 12.633 ( -0.655 0.837 -1.039) 1.486 12.655 ( -0.738 -0.609 -0.726) 1.201 12.862 ( 3.180 1.925 2.745) 4.621 12.930 ( 3.633 0.386 -1.685) 4.024 13.173 ( -4.256 2.047 0.032) 4.723 13.320 ( -0.713 2.154 1.492) 2.716 13.389 ( -2.168 0.983 -1.940) 3.071 13.459 ( -0.787 1.568 0.325) 1.784 ======================= Grid point 108 (46/95) ======================= q-point: (-0.44 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.478 ( 0.053 3.175 -1.684) 3.594 0.534 ( -0.654 2.718 0.735) 2.891 0.584 ( 0.419 2.113 2.550) 3.338 0.813 ( 1.056 2.597 -1.205) 3.052 0.903 ( -3.319 2.819 -0.996) 4.467 0.961 ( 1.672 1.299 0.656) 2.217 1.048 ( 0.820 6.099 0.365) 6.165 1.212 ( -2.922 3.477 -0.120) 4.544 1.328 ( -0.430 2.255 0.378) 2.326 1.365 ( -0.469 0.118 -0.477) 0.679 1.607 ( 2.294 -0.014 -0.048) 2.294 1.637 ( -1.020 3.914 -1.899) 4.468 1.643 ( 1.357 -1.713 0.034) 2.186 1.689 ( -0.833 1.472 2.254) 2.818 1.770 ( -0.856 0.194 0.483) 1.002 1.916 ( -1.387 -1.236 -1.508) 2.393 2.017 ( -0.098 2.441 0.001) 2.443 2.087 ( -0.925 -1.868 0.087) 2.086 2.201 ( -1.345 -2.801 -0.803) 3.209 2.402 ( -5.524 2.475 0.236) 6.058 2.476 ( 1.706 2.969 -0.122) 3.426 2.532 ( -0.354 3.525 1.048) 3.695 2.687 ( 1.833 2.630 -0.142) 3.209 2.728 ( 1.969 2.093 -0.636) 2.944 2.854 ( -2.742 -0.818 1.318) 3.150 2.946 ( -3.073 -1.344 -0.726) 3.432 3.438 ( -5.037 4.953 -0.062) 7.065 3.543 ( -0.775 4.312 0.277) 4.390 3.642 ( 2.308 1.132 0.156) 2.575 3.737 ( -1.636 1.963 0.076) 2.557 3.791 ( 4.421 0.254 -0.201) 4.433 3.882 ( 0.253 0.973 -0.029) 1.006 3.946 ( 2.254 0.404 -0.058) 2.291 4.075 ( 0.110 -2.580 0.050) 2.583 4.253 ( 0.109 1.814 0.602) 1.915 4.284 ( 3.915 3.817 -0.631) 5.504 4.405 ( -0.066 0.535 0.089) 0.546 4.464 ( -3.370 -1.034 -0.061) 3.526 4.655 ( -1.481 1.301 -0.327) 1.998 4.731 ( -0.683 -1.740 0.537) 1.945 4.760 ( -2.149 -1.344 -0.060) 2.535 4.823 ( -0.334 -2.111 -0.138) 2.142 5.229 ( 2.467 -1.099 -0.039) 2.701 5.301 ( -0.005 -2.913 0.108) 2.915 5.322 ( 1.841 -1.281 -0.079) 2.245 5.368 ( 0.675 -2.237 -0.014) 2.337 5.840 ( 1.338 -0.269 -0.082) 1.367 5.898 ( 0.439 -1.196 0.069) 1.276 8.462 ( -1.933 0.002 0.223) 1.946 8.534 ( -3.629 -0.947 -0.213) 3.757 12.438 ( 0.647 3.351 0.517) 3.451 12.560 ( 0.285 0.042 -0.261) 0.389 12.609 ( -1.216 -0.251 -0.280) 1.273 12.640 ( -1.344 -0.082 -0.579) 1.466 12.877 ( 1.739 4.695 1.591) 5.254 12.961 ( 1.809 3.768 -0.566) 4.219 13.086 ( -2.539 1.219 -1.034) 3.000 13.250 ( -4.754 2.679 2.774) 6.121 13.348 ( -0.230 1.924 -2.874) 3.466 13.409 ( -2.438 2.933 0.646) 3.868 ======================= Grid point 109 (47/95) ======================= q-point: (-0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.447 ( 0.387 3.662 1.731) 4.069 0.492 ( -1.098 2.802 1.117) 3.210 0.572 ( 0.048 2.216 2.133) 3.076 0.799 ( 2.188 7.715 -0.347) 8.027 0.813 ( -0.815 3.962 -2.858) 4.952 0.949 ( -2.251 9.255 0.152) 9.526 1.009 ( 3.315 1.076 0.933) 3.608 1.135 ( -1.801 2.757 -0.636) 3.354 1.282 ( -1.521 4.771 -0.014) 5.007 1.321 ( -2.731 4.215 -0.440) 5.042 1.529 ( -1.909 9.401 -0.548) 9.608 1.592 ( -2.520 10.590 0.253) 10.889 1.653 ( 0.774 -0.513 0.692) 1.158 1.667 ( 0.757 0.242 -0.430) 0.904 1.754 ( -2.438 -1.826 2.221) 3.770 1.899 ( -0.414 1.031 -2.560) 2.791 2.013 ( 1.696 1.584 -0.788) 2.451 2.112 ( -0.027 -1.658 0.620) 1.770 2.220 ( -1.575 -1.553 0.125) 2.216 2.233 ( -4.316 3.910 -0.963) 5.903 2.493 ( -0.217 1.628 2.148) 2.704 2.509 ( 2.036 1.229 -0.838) 2.521 2.712 ( 2.708 1.867 -0.681) 3.359 2.730 ( 1.203 3.065 0.170) 3.297 2.837 ( -0.258 -1.155 0.655) 1.352 2.914 ( -1.795 -0.251 -0.468) 1.872 3.326 ( -2.757 1.501 0.018) 3.139 3.435 ( -6.136 3.032 0.364) 6.854 3.614 ( -2.404 1.909 0.536) 3.117 3.664 ( -1.679 3.337 -0.579) 3.780 3.872 ( 3.902 0.781 0.082) 3.980 3.914 ( 2.810 1.239 -0.029) 3.071 4.005 ( 3.841 0.278 0.091) 3.852 4.083 ( -1.182 -0.760 0.021) 1.406 4.258 ( 3.004 1.505 -0.207) 3.366 4.321 ( 4.258 4.223 -0.010) 5.997 4.393 ( -1.912 0.282 0.362) 1.966 4.415 ( -2.432 -0.416 -0.368) 2.495 4.626 ( -0.238 -0.275 -0.175) 0.404 4.727 ( -2.447 -1.738 -0.292) 3.016 4.744 ( -1.022 -2.407 1.347) 2.941 4.831 ( -1.201 -2.483 -0.820) 2.877 5.287 ( 2.344 -1.898 -0.033) 3.016 5.328 ( -0.099 -2.473 -0.025) 2.475 5.363 ( 0.984 -1.242 0.490) 1.659 5.403 ( 0.660 -2.547 -0.565) 2.691 5.873 ( 1.711 -0.760 -0.035) 1.873 5.911 ( -0.267 -0.926 0.013) 0.963 8.439 ( -1.310 -1.019 0.337) 1.694 8.485 ( -2.518 -0.606 -0.295) 2.606 12.420 ( 1.909 4.689 0.251) 5.069 12.528 ( -2.300 3.025 0.340) 3.815 12.597 ( -1.239 -0.807 -0.556) 1.580 12.606 ( -1.712 0.001 -0.312) 1.740 12.854 ( 1.960 6.006 0.020) 6.317 12.908 ( -1.293 5.795 0.567) 5.965 13.064 ( 0.178 2.692 0.184) 2.705 13.157 ( -2.714 1.051 -0.178) 2.916 13.318 ( 0.260 3.273 -1.620) 3.661 13.331 ( -2.779 3.652 0.897) 4.676 ======================= Grid point 110 (48/95) ======================= q-point: (-0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.440 ( 1.897 3.824 6.582) 7.845 0.452 ( -1.280 1.714 1.041) 2.379 0.555 ( 0.198 2.297 0.604) 2.383 0.725 ( -1.823 13.563 1.490) 13.766 0.755 ( 2.000 9.344 -2.286) 9.825 0.823 ( -0.748 3.214 -3.635) 4.909 1.055 ( 0.481 1.859 0.731) 2.055 1.093 ( -0.400 1.366 -0.792) 1.629 1.176 ( -0.089 12.204 0.193) 12.206 1.190 ( 0.352 16.163 -0.591) 16.178 1.413 ( 0.387 9.196 1.142) 9.275 1.451 ( -0.720 7.603 -0.443) 7.649 1.642 ( -0.482 3.359 0.509) 3.432 1.674 ( 0.408 0.330 -1.047) 1.171 1.758 ( -0.467 -0.631 2.193) 2.329 1.858 ( 0.399 3.658 -2.318) 4.349 2.027 ( 1.693 1.441 0.792) 2.360 2.075 ( -0.692 0.687 -1.614) 1.886 2.178 ( -1.743 -2.630 1.532) 3.507 2.250 ( 1.290 -1.732 -1.855) 2.847 2.489 ( -1.287 0.240 1.338) 1.872 2.515 ( 1.130 2.704 0.105) 2.933 2.704 ( -0.609 2.385 0.254) 2.475 2.735 ( 0.657 -0.176 -1.080) 1.276 2.859 ( -0.539 -1.906 0.618) 2.075 2.888 ( 0.217 -0.565 -0.540) 0.811 3.312 ( 0.480 2.804 0.830) 2.963 3.337 ( -0.494 0.224 -0.335) 0.638 3.573 ( -0.083 1.796 0.915) 2.018 3.619 ( -0.040 2.559 -0.983) 2.742 3.903 ( 0.578 1.547 0.500) 1.726 3.923 ( -0.413 0.087 -0.315) 0.527 4.043 ( 0.309 1.481 0.383) 1.560 4.059 ( -0.419 0.632 -0.295) 0.814 4.304 ( 2.361 3.481 -0.109) 4.208 4.308 ( -1.954 2.939 -0.136) 3.532 4.353 ( -0.653 0.852 0.645) 1.252 4.387 ( -0.044 -0.171 -0.977) 0.992 4.664 ( 1.440 -2.314 0.956) 2.888 4.703 ( -0.928 -2.230 -1.039) 2.629 4.764 ( -0.357 -1.979 1.900) 2.766 4.840 ( 0.268 -2.719 -1.489) 3.112 5.334 ( -0.214 -1.818 0.208) 1.842 5.346 ( 0.524 -1.956 -0.457) 2.076 5.376 ( -0.694 -0.603 1.135) 1.461 5.431 ( 0.288 -1.778 -1.443) 2.308 5.903 ( -0.255 -0.478 0.173) 0.569 5.911 ( 0.249 -1.148 -0.193) 1.190 8.443 ( 0.339 -1.418 0.620) 1.585 8.466 ( -0.214 -0.670 -0.427) 0.823 12.422 ( 0.583 5.752 0.257) 5.787 12.427 ( -0.793 3.845 0.015) 3.926 12.585 ( 0.121 -0.215 -0.056) 0.253 12.598 ( 0.085 -0.525 -0.472) 0.712 12.812 ( -0.699 6.631 0.590) 6.694 12.845 ( 1.424 5.709 -0.832) 5.942 13.005 ( -2.513 3.364 2.814) 5.055 13.155 ( 2.783 1.417 -4.196) 5.231 13.255 ( -2.234 3.155 1.176) 4.041 13.289 ( 0.949 4.061 -0.700) 4.228 ======================= Grid point 111 (49/95) ======================= q-point: (-0.11 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.393 ( -3.370 3.095 -1.037) 4.692 0.468 ( 1.977 3.541 6.809) 7.925 0.520 ( -2.060 5.414 1.619) 6.015 0.594 ( 7.602 9.098 0.093) 11.856 0.709 ( 2.670 10.201 0.005) 10.545 0.774 ( -1.376 1.772 -4.488) 5.017 1.010 ( 0.062 2.361 2.237) 3.253 1.038 ( 3.645 11.197 -1.562) 11.879 1.093 ( 7.221 14.334 0.332) 16.054 1.149 ( 7.598 7.059 -1.013) 10.421 1.406 ( 4.468 4.551 1.975) 6.676 1.414 ( 1.630 2.037 -0.729) 2.709 1.581 ( -1.983 5.044 0.428) 5.437 1.656 ( -0.582 2.419 -1.287) 2.801 1.763 ( 3.917 0.786 0.277) 4.005 1.896 ( 5.035 0.286 -0.695) 5.091 2.065 ( 1.726 -2.840 -0.020) 3.323 2.093 ( 3.327 0.100 -0.736) 3.409 2.200 ( 0.255 -3.566 0.562) 3.619 2.276 ( 0.291 -1.015 -0.979) 1.440 2.451 ( -1.922 1.198 0.814) 2.407 2.484 ( -0.705 4.224 0.199) 4.287 2.667 ( -2.059 1.002 0.032) 2.290 2.707 ( -2.966 0.186 -0.576) 3.027 2.893 ( 0.908 -4.618 0.449) 4.728 2.920 ( 2.011 -0.577 -0.362) 2.123 3.306 ( 2.224 1.667 0.842) 2.904 3.364 ( 3.699 3.238 -0.225) 4.922 3.576 ( 1.660 2.008 0.503) 2.654 3.602 ( 0.617 2.234 -0.638) 2.404 3.871 ( -3.043 1.454 0.644) 3.434 3.896 ( -2.491 -1.196 -0.738) 2.860 3.977 ( -3.586 2.601 0.120) 4.431 4.081 ( 2.415 1.135 -0.021) 2.669 4.225 ( -4.214 2.426 -0.761) 4.922 4.227 ( -3.680 3.679 0.601) 5.238 4.369 ( 1.871 0.889 0.215) 2.083 4.435 ( 4.016 -1.200 -0.415) 4.211 4.666 ( -1.660 -2.276 -0.395) 2.845 4.759 ( 0.897 -0.755 -0.103) 1.177 4.785 ( 1.759 -2.813 1.568) 3.670 4.882 ( 1.337 -2.521 -1.096) 3.057 5.317 ( -2.404 -1.018 0.046) 2.611 5.364 ( -0.607 -0.329 0.289) 0.748 5.377 ( -0.014 -1.415 0.045) 1.416 5.434 ( -0.693 -0.023 -1.207) 1.392 5.888 ( -1.538 -0.919 0.118) 1.796 5.928 ( 0.138 -0.535 -0.105) 0.563 8.470 ( 0.520 -1.496 -0.032) 1.584 8.496 ( 2.783 -0.882 0.213) 2.927 12.327 ( -0.736 4.303 -0.180) 4.369 12.461 ( 3.572 2.970 0.655) 4.691 12.602 ( 1.748 -0.016 -0.346) 1.782 12.615 ( 1.535 0.375 -0.257) 1.601 12.734 ( -0.548 6.357 -0.152) 6.382 12.805 ( -0.389 4.624 0.233) 4.646 12.968 ( 2.023 2.657 0.496) 3.376 13.177 ( 2.886 3.049 -2.419) 4.846 13.204 ( 0.447 2.813 0.466) 2.886 13.276 ( 2.254 3.715 -0.007) 4.345 ======================= Grid point 115 (50/95) ======================= q-point: (-0.67 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.527 ( 1.098 0.000 -1.416) 1.792 0.572 ( 1.125 0.000 -0.253) 1.153 0.585 ( 1.494 0.000 0.812) 1.700 0.827 ( 2.772 0.000 0.262) 2.784 0.954 ( -1.654 -0.000 -1.767) 2.421 1.001 ( -3.592 -0.000 1.186) 3.783 1.143 ( 2.533 0.000 0.573) 2.597 1.175 ( 1.924 0.000 -0.468) 1.980 1.443 ( 2.810 0.000 -1.635) 3.251 1.454 ( -3.695 -0.000 1.853) 4.134 1.519 ( -1.844 -0.000 -0.088) 1.846 1.544 ( 0.481 0.000 -0.438) 0.651 1.581 ( 3.846 0.000 -1.499) 4.127 1.645 ( 5.173 0.000 1.432) 5.368 1.839 ( -4.326 -0.000 -0.591) 4.366 1.945 ( -2.893 -0.000 0.931) 3.039 2.101 ( -4.083 -0.000 1.621) 4.393 2.151 ( -2.861 -0.000 -1.794) 3.377 2.228 ( -0.464 -0.000 2.438) 2.482 2.316 ( 0.774 0.000 -3.432) 3.519 2.559 ( 0.557 0.000 2.632) 2.690 2.614 ( -0.154 -0.000 -2.322) 2.327 2.716 ( 1.675 0.000 1.913) 2.542 2.746 ( 0.958 0.000 -1.273) 1.594 2.879 ( -4.418 -0.000 0.619) 4.461 2.973 ( -3.139 -0.000 -0.741) 3.226 3.513 ( 10.510 0.000 -1.237) 10.583 3.539 ( 8.809 0.000 1.358) 8.913 3.670 ( -0.748 -0.000 0.064) 0.751 3.702 ( -0.575 -0.000 0.083) 0.581 3.835 ( 0.313 0.000 0.522) 0.609 3.852 ( -1.553 -0.000 -0.622) 1.672 3.994 ( -2.054 -0.000 -0.346) 2.083 4.006 ( -0.607 -0.000 0.223) 0.647 4.247 ( 2.756 0.000 1.651) 3.212 4.315 ( 1.533 0.000 -1.330) 2.029 4.451 ( -1.265 -0.000 -0.247) 1.289 4.474 ( -1.445 -0.000 0.255) 1.467 4.671 ( 1.237 0.000 0.441) 1.313 4.683 ( 0.633 0.000 -0.750) 0.981 4.793 ( -2.471 -0.000 -0.804) 2.598 4.806 ( -0.763 -0.000 1.076) 1.319 5.222 ( -0.820 -0.000 -0.053) 0.822 5.234 ( -0.551 -0.000 -0.038) 0.552 5.303 ( 0.142 0.000 -0.065) 0.157 5.308 ( 0.335 0.000 0.132) 0.360 5.832 ( 0.215 0.000 -0.172) 0.275 5.865 ( 0.090 0.000 0.202) 0.221 8.525 ( -3.010 -0.000 0.906) 3.144 8.553 ( -1.859 -0.000 -0.893) 2.063 12.477 ( 0.788 0.000 1.068) 1.328 12.506 ( 1.915 0.000 0.095) 1.918 12.642 ( -0.834 -0.000 -1.592) 1.797 12.649 ( -0.458 -0.000 -0.636) 0.784 12.880 ( 3.933 0.000 3.246) 5.100 12.930 ( 4.548 0.000 -2.086) 5.004 13.197 ( -4.239 -0.000 0.313) 4.250 13.343 ( -0.236 -0.000 1.230) 1.253 13.399 ( -2.224 -0.000 -1.876) 2.910 13.476 ( -0.242 -0.000 0.245) 0.344 ======================= Grid point 117 (51/95) ======================= q-point: (-0.56 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( -0.502 0.817 -1.447) 1.736 0.574 ( -0.204 1.139 0.442) 1.239 0.615 ( 0.760 0.883 3.057) 3.272 0.849 ( 0.773 0.880 -2.337) 2.614 0.945 ( 1.175 1.314 -1.089) 2.072 0.979 ( 1.273 0.606 1.622) 2.149 1.147 ( 1.214 4.173 0.147) 4.348 1.221 ( -0.300 -2.804 -0.233) 2.830 1.374 ( -2.437 3.833 0.947) 4.640 1.415 ( -1.389 3.116 -1.283) 3.645 1.529 ( -0.963 -4.559 1.212) 4.815 1.564 ( -0.634 -4.551 -0.456) 4.618 1.672 ( 6.050 0.423 -1.877) 6.349 1.728 ( 3.365 1.168 1.794) 3.988 1.791 ( -0.565 0.623 -0.233) 0.873 1.913 ( -0.852 0.384 -0.453) 1.039 2.041 ( -2.173 0.700 1.001) 2.493 2.116 ( -1.370 -0.980 -0.823) 1.875 2.206 ( 2.109 6.484 0.123) 6.820 2.368 ( 0.714 -4.554 -1.227) 4.770 2.551 ( -1.656 2.521 1.934) 3.583 2.576 ( -1.359 1.008 -1.015) 1.973 2.737 ( 1.559 2.200 0.257) 2.708 2.754 ( 2.097 0.553 -0.913) 2.353 2.837 ( -1.626 -1.165 1.296) 2.384 2.925 ( -2.660 -0.491 -0.747) 2.806 3.544 ( -5.830 5.065 0.036) 7.723 3.609 ( -6.060 0.022 0.070) 6.060 3.653 ( 5.020 1.737 0.067) 5.312 3.738 ( 2.850 -1.529 0.119) 3.236 3.819 ( 2.677 2.493 -0.101) 3.660 3.871 ( 1.514 -2.074 0.035) 2.568 3.965 ( 0.930 1.443 0.002) 1.717 4.025 ( 0.946 -2.179 -0.035) 2.376 4.284 ( 1.105 1.222 1.087) 1.973 4.322 ( 0.622 0.182 -0.816) 1.042 4.428 ( -0.157 1.493 -0.186) 1.513 4.451 ( -1.875 -0.437 0.111) 1.929 4.669 ( -1.318 0.258 -0.586) 1.465 4.695 ( -0.387 -1.557 0.774) 1.781 4.746 ( -2.790 -0.164 -0.929) 2.945 4.800 ( -0.629 -0.444 0.671) 1.021 5.219 ( 1.177 0.137 -0.053) 1.186 5.246 ( 0.204 -2.157 0.041) 2.167 5.310 ( 1.197 0.066 -0.169) 1.211 5.330 ( 0.609 -1.496 0.164) 1.624 5.841 ( 1.002 0.189 -0.139) 1.029 5.877 ( 0.604 -0.795 0.148) 1.009 8.467 ( -3.225 0.340 0.782) 3.336 8.516 ( -2.765 -0.693 -0.755) 2.949 12.488 ( 1.190 1.581 0.926) 2.185 12.545 ( 1.429 -0.943 -0.045) 1.713 12.616 ( -1.463 0.549 -0.633) 1.686 12.638 ( -0.503 -0.138 -0.951) 1.084 12.938 ( 2.598 1.515 2.360) 3.823 13.002 ( 4.300 0.755 -1.605) 4.652 13.112 ( -4.232 1.105 -0.254) 4.381 13.293 ( -5.116 1.316 3.082) 6.116 13.375 ( 0.652 0.751 -3.382) 3.526 13.453 ( -1.803 1.257 0.485) 2.250 ======================= Grid point 118 (52/95) ======================= q-point: (-0.44 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( 0.045 1.570 0.416) 1.625 0.546 ( -1.041 2.385 0.515) 2.652 0.612 ( -0.158 1.752 3.520) 3.936 0.841 ( 0.320 0.978 -3.444) 3.594 0.946 ( 3.251 5.415 0.005) 6.316 1.029 ( 4.056 0.827 0.671) 4.193 1.094 ( -2.180 5.333 -0.064) 5.761 1.191 ( -3.143 1.757 0.037) 3.601 1.326 ( -0.929 0.917 0.526) 1.407 1.369 ( -0.573 2.381 -0.998) 2.644 1.571 ( -0.226 -5.065 0.976) 5.163 1.599 ( -0.657 -4.550 -0.441) 4.618 1.713 ( 2.443 6.812 -0.759) 7.277 1.741 ( 0.085 0.941 2.083) 2.288 1.779 ( 0.686 5.688 0.035) 5.729 1.901 ( -0.031 -0.005 -2.598) 2.598 2.050 ( 1.867 -2.569 0.870) 3.293 2.109 ( 1.037 1.479 -0.211) 1.818 2.191 ( 1.451 2.615 -0.763) 3.086 2.326 ( -5.816 2.704 -0.471) 6.431 2.527 ( 0.292 1.825 1.793) 2.575 2.545 ( 0.104 2.022 -0.388) 2.062 2.755 ( 2.179 2.176 -1.317) 3.349 2.783 ( 2.853 2.370 0.925) 3.822 2.844 ( 1.121 1.040 0.749) 1.703 2.904 ( 0.402 -0.893 -0.887) 1.321 3.370 ( -6.823 3.153 0.095) 7.517 3.472 ( -8.808 0.352 -0.029) 8.815 3.651 ( -1.475 1.869 0.742) 2.494 3.721 ( -1.439 2.205 -0.596) 2.699 3.899 ( 5.134 1.853 0.160) 5.461 3.936 ( 3.817 0.674 0.073) 3.877 4.000 ( 3.228 -0.333 0.124) 3.247 4.060 ( 0.095 -1.513 -0.061) 1.517 4.278 ( 1.029 0.917 0.037) 1.378 4.341 ( -0.059 -1.647 0.102) 1.651 4.418 ( -1.355 0.848 0.113) 1.602 4.422 ( 1.359 1.783 -0.291) 2.260 4.633 ( -1.721 0.400 -0.446) 1.822 4.697 ( -2.990 -0.937 -0.937) 3.271 4.704 ( -0.421 -1.497 1.592) 2.225 4.793 ( -1.172 -1.247 -0.263) 1.731 5.252 ( 1.675 -1.449 -0.073) 2.216 5.275 ( 0.169 -2.595 0.018) 2.601 5.338 ( 1.096 -1.108 0.163) 1.567 5.355 ( 0.344 -2.056 -0.114) 2.088 5.862 ( 1.356 -0.334 -0.023) 1.397 5.893 ( 0.130 -0.819 0.013) 0.829 8.423 ( -2.074 -0.599 0.830) 2.313 8.475 ( -2.089 -0.389 -0.806) 2.272 12.494 ( 1.644 2.556 0.683) 3.115 12.561 ( -0.128 0.035 -0.430) 0.450 12.585 ( -1.277 0.345 0.254) 1.347 12.623 ( -0.838 1.246 -0.788) 1.696 12.954 ( 1.998 3.680 0.396) 4.206 13.000 ( -1.671 3.395 0.600) 3.831 13.094 ( 2.985 0.513 -1.700) 3.473 13.188 ( -5.449 1.802 2.345) 6.200 13.371 ( 1.137 1.997 -2.136) 3.137 13.397 ( -2.470 2.700 0.695) 3.725 ======================= Grid point 119 (53/95) ======================= q-point: (-0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.495 ( 1.348 2.121 2.594) 3.612 0.501 ( -0.849 2.761 0.477) 2.927 0.601 ( 0.079 2.288 3.210) 3.943 0.820 ( -0.120 1.535 -4.305) 4.572 0.944 ( -0.634 8.501 0.684) 8.552 0.966 ( 0.216 6.769 -0.244) 6.777 1.098 ( 1.646 2.396 0.307) 2.924 1.116 ( -1.208 1.393 -0.352) 1.877 1.300 ( -0.291 2.513 0.717) 2.629 1.340 ( 0.276 2.913 -1.016) 3.097 1.598 ( -1.019 1.365 0.143) 1.709 1.614 ( 0.125 1.260 -0.869) 1.536 1.674 ( 0.861 4.049 0.859) 4.228 1.690 ( -0.906 6.544 -0.139) 6.608 1.740 ( 0.682 1.085 2.840) 3.115 1.894 ( 0.092 -0.007 -4.003) 4.005 2.102 ( -1.232 -0.884 0.813) 1.720 2.128 ( 5.470 4.598 -0.102) 7.146 2.156 ( -5.284 2.225 1.006) 5.821 2.228 ( 1.342 1.125 -2.179) 2.796 2.495 ( -1.403 1.402 2.019) 2.831 2.549 ( 1.283 1.663 -0.562) 2.174 2.761 ( 1.282 2.256 0.028) 2.595 2.764 ( -1.071 3.109 -0.066) 3.289 2.860 ( -1.162 1.621 0.580) 2.077 2.899 ( 0.844 1.472 -0.954) 1.947 3.328 ( 0.024 -1.040 0.581) 1.192 3.352 ( -0.050 1.136 -0.409) 1.209 3.617 ( 0.171 2.558 1.287) 2.868 3.675 ( -0.237 2.946 -1.166) 3.177 3.937 ( 0.642 1.525 0.295) 1.681 3.943 ( -0.522 2.315 0.094) 2.375 4.049 ( 0.346 -0.551 0.136) 0.665 4.055 ( -0.527 -0.718 -0.098) 0.896 4.315 ( 0.443 -0.867 0.231) 1.000 4.331 ( -0.428 -0.868 -0.413) 1.052 4.395 ( 0.359 2.091 0.420) 2.162 4.419 ( -0.539 2.472 -0.611) 2.603 4.629 ( 1.295 -0.990 0.585) 1.732 4.663 ( -1.339 -1.468 -1.207) 2.325 4.726 ( 0.510 -1.574 1.927) 2.540 4.791 ( -0.241 -2.076 -1.144) 2.383 5.291 ( -0.337 -2.330 0.106) 2.357 5.300 ( 0.526 -2.563 -0.323) 2.636 5.355 ( -0.623 -1.347 0.754) 1.665 5.385 ( 0.425 -2.552 -0.582) 2.652 5.889 ( 0.231 -1.044 0.088) 1.073 5.893 ( -0.221 -0.431 -0.111) 0.497 8.416 ( -0.016 -1.205 0.879) 1.491 8.457 ( 0.028 -0.330 -0.846) 0.908 12.497 ( 1.132 3.099 0.701) 3.374 12.526 ( -1.307 3.948 -0.015) 4.159 12.578 ( 0.016 -0.957 -0.362) 1.023 12.592 ( 0.021 1.036 -0.467) 1.137 12.932 ( -0.169 5.094 0.284) 5.105 12.957 ( 1.956 5.063 -0.981) 5.515 13.064 ( -3.964 2.629 2.738) 5.488 13.166 ( 2.973 -0.038 -1.811) 3.481 13.326 ( -1.967 3.746 0.578) 4.271 13.362 ( 1.277 3.198 -0.926) 3.566 ======================= Grid point 120 (54/95) ======================= q-point: (-0.22 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.454 ( -0.843 3.167 -0.519) 3.318 0.522 ( 1.572 1.791 1.735) 2.947 0.593 ( 0.932 2.998 5.130) 6.014 0.762 ( -2.799 4.784 -3.131) 6.366 0.822 ( 1.723 6.394 -1.770) 6.855 0.936 ( 1.376 9.676 0.252) 9.777 1.030 ( -2.741 0.621 1.191) 3.053 1.121 ( 0.958 3.845 -0.935) 4.071 1.287 ( 2.239 4.391 0.042) 4.929 1.320 ( 2.418 4.308 -0.500) 4.965 1.523 ( 1.294 7.987 -0.564) 8.111 1.573 ( 2.477 9.350 0.421) 9.682 1.645 ( -1.281 0.692 0.196) 1.469 1.685 ( 0.342 1.394 -0.039) 1.436 1.771 ( 2.370 -0.621 2.593) 3.568 1.889 ( 1.172 0.011 -2.885) 3.114 2.028 ( -2.339 1.036 -1.059) 2.769 2.107 ( -1.648 -2.616 0.692) 3.169 2.187 ( 5.794 3.780 -0.067) 6.918 2.259 ( 1.997 0.100 -0.680) 2.112 2.465 ( -1.509 0.939 1.141) 2.112 2.539 ( -0.672 1.997 0.173) 2.114 2.705 ( -2.433 2.207 -0.431) 3.313 2.743 ( -1.035 3.483 -0.100) 3.635 2.824 ( 0.035 -1.904 0.644) 2.010 2.917 ( 1.810 -0.049 -0.407) 1.856 3.328 ( 2.745 1.242 0.009) 3.013 3.433 ( 6.039 3.254 0.367) 6.870 3.618 ( 2.031 2.200 0.723) 3.081 3.657 ( 1.913 3.121 -0.761) 3.739 3.880 ( -3.850 0.273 0.107) 3.862 3.909 ( -2.891 1.714 -0.056) 3.361 4.005 ( -3.781 0.288 0.095) 3.793 4.080 ( 1.191 -0.839 0.019) 1.457 4.257 ( -3.403 1.233 -0.204) 3.625 4.323 ( -4.112 4.632 -0.014) 6.194 4.394 ( 2.325 0.522 0.459) 2.426 4.410 ( 2.483 -0.630 -0.456) 2.601 4.637 ( -0.359 -0.417 -0.262) 0.610 4.720 ( 3.562 -2.711 0.111) 4.477 4.750 ( 0.232 -1.078 1.112) 1.566 4.826 ( 1.296 -2.947 -0.910) 3.345 5.287 ( -2.262 -1.892 -0.031) 2.949 5.335 ( 0.216 -2.730 -0.140) 2.742 5.352 ( -1.248 -1.102 0.487) 1.735 5.407 ( -0.578 -2.252 -0.448) 2.368 5.872 ( -1.709 -0.630 -0.033) 1.822 5.912 ( 0.274 -1.030 0.012) 1.066 8.442 ( 1.082 -1.185 0.374) 1.647 8.483 ( 2.754 -0.573 -0.332) 2.833 12.426 ( -1.983 5.253 0.279) 5.622 12.517 ( 2.134 2.770 0.237) 3.505 12.598 ( 1.580 -0.641 -0.638) 1.820 12.606 ( 1.427 -0.650 -0.142) 1.574 12.868 ( -0.576 6.805 -0.111) 6.830 12.913 ( -0.905 5.570 0.834) 5.705 13.020 ( 1.680 2.461 -0.156) 2.984 13.206 ( 1.548 0.327 0.421) 1.637 13.274 ( 1.151 4.166 -1.093) 4.458 13.351 ( 1.712 3.744 -0.034) 4.117 ======================= Grid point 121 (55/95) ======================= q-point: (-0.11 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.395 ( -0.604 5.479 -2.313) 5.978 0.509 ( -0.051 1.462 -0.258) 1.485 0.568 ( -0.227 5.489 4.283) 6.967 0.731 ( 1.310 0.605 -0.837) 1.668 0.834 ( 0.100 10.602 0.302) 10.607 0.855 ( 8.497 3.441 -1.669) 9.318 1.028 ( 0.731 -1.845 1.862) 2.721 1.098 ( 2.473 4.054 -1.447) 4.964 1.289 ( 1.982 1.731 -0.357) 2.655 1.324 ( 3.333 5.866 0.212) 6.750 1.511 ( 4.232 5.265 -1.036) 6.834 1.548 ( 2.493 6.182 1.015) 6.742 1.585 ( -2.727 3.603 0.207) 4.523 1.670 ( 1.639 2.477 -0.322) 2.988 1.849 ( 3.724 -2.934 1.600) 5.003 1.935 ( 3.780 -2.052 -2.039) 4.760 2.046 ( 2.083 -5.024 -0.575) 5.469 2.146 ( 1.302 -4.797 0.271) 4.978 2.251 ( 5.502 2.575 -0.763) 6.122 2.281 ( 1.999 2.865 0.348) 3.511 2.432 ( -0.811 1.282 0.681) 1.663 2.493 ( -1.559 2.461 0.507) 2.957 2.634 ( -3.251 1.747 -0.358) 3.708 2.684 ( -1.686 3.310 -0.122) 3.716 2.889 ( 3.357 -3.338 1.039) 4.847 2.961 ( 3.239 -0.231 -0.668) 3.315 3.371 ( 3.252 1.963 0.021) 3.799 3.464 ( 1.741 3.809 0.269) 4.196 3.598 ( -3.200 2.800 0.207) 4.257 3.669 ( 2.659 4.324 -0.116) 5.077 3.807 ( -4.874 -1.528 -0.025) 5.108 3.843 ( -1.053 2.395 -0.197) 2.623 3.944 ( -1.720 0.561 -0.024) 1.809 4.114 ( 1.366 -1.069 0.142) 1.740 4.182 ( -3.337 2.981 -0.640) 4.521 4.221 ( -1.116 3.920 0.475) 4.103 4.401 ( 0.481 0.463 0.035) 0.669 4.487 ( 3.511 -1.420 -0.066) 3.788 4.638 ( 0.133 -0.042 -0.309) 0.339 4.758 ( -0.094 0.018 0.150) 0.178 4.796 ( 1.631 -2.528 0.794) 3.112 4.869 ( 0.232 -2.860 -0.663) 2.945 5.258 ( -2.867 -1.725 -0.005) 3.346 5.339 ( -1.506 -1.025 0.120) 1.826 5.357 ( -0.328 -2.031 -0.044) 2.058 5.407 ( -1.298 -1.249 -0.196) 1.812 5.851 ( -1.495 -0.922 0.002) 1.757 5.919 ( -0.478 -0.696 -0.005) 0.845 8.472 ( 1.032 -0.969 0.007) 1.416 8.548 ( 3.745 -0.400 -0.004) 3.767 12.371 ( 1.039 3.700 -0.012) 3.843 12.523 ( 0.994 1.954 0.834) 2.346 12.635 ( 1.937 -0.479 -0.901) 2.189 12.637 ( 1.104 -0.883 -0.297) 1.444 12.779 ( -1.874 6.356 0.576) 6.652 12.856 ( 0.561 5.481 0.155) 5.512 13.056 ( 5.129 1.966 -0.963) 5.576 13.212 ( 0.494 1.182 2.134) 2.489 13.290 ( 4.574 2.808 -2.130) 5.774 13.354 ( 2.649 3.135 0.404) 4.124 ======================= Grid point 126 (56/95) ======================= q-point: (-0.56 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( 0.072 0.000 0.214) 0.226 0.572 ( -0.836 -0.000 0.225) 0.866 0.631 ( -0.207 -0.000 3.944) 3.949 0.850 ( 0.406 0.000 -3.618) 3.641 1.008 ( 4.172 0.000 -0.735) 4.237 1.033 ( 3.820 0.000 1.517) 4.111 1.167 ( -2.714 -0.000 -1.403) 3.055 1.177 ( -2.090 -0.000 1.351) 2.488 1.358 ( -1.918 -0.000 0.790) 2.075 1.398 ( -1.306 -0.000 -1.882) 2.291 1.501 ( -0.168 -0.000 1.686) 1.694 1.536 ( 0.565 0.000 -0.323) 0.651 1.742 ( -0.843 -0.000 1.477) 1.701 1.787 ( 6.145 0.000 -1.829) 6.411 1.851 ( 4.250 0.000 0.560) 4.286 1.909 ( 0.286 0.000 -1.316) 1.347 2.013 ( -1.696 -0.000 1.883) 2.534 2.084 ( -0.314 -0.000 -2.097) 2.120 2.276 ( -1.683 -0.000 1.609) 2.329 2.327 ( -1.296 -0.000 -2.193) 2.547 2.552 ( -1.180 -0.000 2.913) 3.143 2.565 ( 1.496 0.000 -1.397) 2.047 2.779 ( 1.817 0.000 -1.883) 2.617 2.818 ( 3.530 0.000 1.574) 3.865 2.850 ( 3.925 0.000 1.136) 4.086 2.891 ( 0.318 0.000 -1.606) 1.637 3.424 ( -10.617 -0.000 0.792) 10.647 3.456 ( -8.733 -0.000 -0.868) 8.776 3.674 ( -1.301 -0.000 0.906) 1.585 3.744 ( -0.744 -0.000 -0.669) 1.000 3.927 ( 5.281 0.000 0.135) 5.283 3.937 ( 5.879 0.000 0.162) 5.881 4.000 ( 1.881 0.000 0.296) 1.904 4.037 ( 1.147 0.000 -0.254) 1.175 4.301 ( -1.275 -0.000 -0.204) 1.291 4.308 ( 0.083 0.000 0.444) 0.451 4.424 ( -1.083 -0.000 0.450) 1.173 4.443 ( 0.504 0.000 -0.618) 0.797 4.635 ( -1.671 -0.000 -0.583) 1.770 4.686 ( -1.480 -0.000 0.835) 1.699 4.695 ( -1.188 -0.000 -0.538) 1.304 4.781 ( -1.306 -0.000 0.164) 1.317 5.239 ( 1.122 0.000 -0.164) 1.134 5.244 ( 0.572 0.000 0.115) 0.584 5.328 ( 0.948 0.000 -0.432) 1.041 5.331 ( 0.235 0.000 0.482) 0.537 5.859 ( 0.973 0.000 0.039) 0.973 5.884 ( 0.534 0.000 -0.036) 0.535 8.417 ( -2.503 -0.000 1.098) 2.733 8.471 ( -1.793 -0.000 -1.066) 2.086 12.518 ( 1.028 0.000 0.636) 1.208 12.555 ( 0.218 0.000 -0.284) 0.358 12.595 ( -1.282 -0.000 0.663) 1.444 12.637 ( 0.589 0.000 -1.292) 1.420 12.990 ( 2.201 0.000 0.576) 2.275 13.034 ( -2.269 -0.000 0.609) 2.350 13.097 ( 3.710 0.000 -1.956) 4.194 13.209 ( -6.016 -0.000 2.766) 6.621 13.391 ( 1.410 0.000 -2.233) 2.641 13.425 ( -2.233 -0.000 0.492) 2.287 ======================= Grid point 128 (57/95) ======================= q-point: (-0.44 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.522 ( 1.350 0.706 1.772) 2.337 0.547 ( -1.062 1.437 -0.441) 1.840 0.634 ( -0.088 0.966 4.165) 4.276 0.844 ( 0.210 0.710 -4.114) 4.180 1.056 ( 3.046 2.852 0.177) 4.177 1.063 ( -3.487 3.523 0.185) 4.960 1.129 ( 1.855 0.418 0.157) 1.908 1.134 ( -1.377 -0.135 0.136) 1.390 1.331 ( -0.273 1.382 0.638) 1.546 1.376 ( 0.080 1.249 -1.576) 2.012 1.523 ( -0.256 -3.715 1.518) 4.021 1.561 ( 0.196 -3.142 -0.373) 3.170 1.734 ( -0.453 0.182 1.695) 1.764 1.823 ( 1.134 5.719 -0.991) 5.914 1.858 ( -0.088 6.187 0.231) 6.192 1.896 ( -0.512 1.141 -2.293) 2.611 2.029 ( -0.550 -4.574 1.625) 4.885 2.105 ( 0.895 -3.526 -1.809) 4.063 2.230 ( -0.742 2.566 1.169) 2.916 2.294 ( 0.588 2.514 -1.715) 3.100 2.531 ( -1.328 1.397 2.195) 2.921 2.587 ( 1.460 1.537 -0.573) 2.196 2.797 ( 1.499 1.080 0.221) 1.861 2.811 ( -2.202 1.356 -0.350) 2.610 2.900 ( -0.519 1.628 0.265) 1.729 2.933 ( 1.047 1.419 -1.046) 2.050 3.306 ( -0.332 -0.799 1.168) 1.453 3.359 ( 0.268 -0.100 -1.094) 1.131 3.660 ( 0.327 1.383 1.446) 2.027 3.722 ( -0.338 1.464 -1.207) 1.928 3.970 ( -0.029 1.330 0.658) 1.484 3.988 ( 0.071 1.910 -0.126) 1.916 4.030 ( 0.370 -1.142 0.209) 1.219 4.040 ( -0.570 -0.576 -0.192) 0.833 4.295 ( 0.388 -0.819 0.272) 0.946 4.308 ( -0.223 -0.895 -0.301) 0.970 4.414 ( -0.220 0.140 0.601) 0.656 4.445 ( 0.020 0.346 -0.731) 0.808 4.624 ( 0.844 0.148 0.136) 0.868 4.647 ( -1.504 -0.373 -1.182) 1.949 4.713 ( 1.577 0.034 1.752) 2.357 4.763 ( -0.821 -0.751 -0.757) 1.346 5.254 ( -0.227 -1.161 0.041) 1.184 5.258 ( 0.288 -1.306 -0.173) 1.348 5.333 ( -0.518 -0.678 0.346) 0.920 5.346 ( 0.466 -1.179 -0.203) 1.284 5.874 ( 0.314 -0.428 0.286) 0.603 5.887 ( -0.295 -0.179 -0.291) 0.452 8.399 ( -0.111 -0.486 1.158) 1.261 8.453 ( 0.105 -0.094 -1.130) 1.139 12.533 ( 1.169 0.645 0.105) 1.339 12.558 ( 0.307 -0.283 -0.641) 0.765 12.573 ( -1.346 0.798 1.621) 2.253 12.630 ( -0.349 1.611 -1.133) 2.000 13.000 ( -0.241 1.799 0.050) 1.816 13.025 ( 3.111 1.701 -1.407) 3.815 13.106 ( -5.546 1.437 2.574) 6.280 13.161 ( 2.916 -0.331 -0.122) 2.937 13.383 ( -1.523 1.675 -0.089) 2.265 13.407 ( 1.495 1.217 -1.003) 2.173 ======================= Grid point 129 (58/95) ======================= q-point: (-0.33 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( -0.434 2.423 -0.951) 2.639 0.549 ( 1.663 1.054 0.970) 2.195 0.636 ( 0.664 1.435 5.537) 5.758 0.815 ( -1.132 1.846 -4.565) 5.052 0.951 ( -2.689 5.129 -0.001) 5.792 1.044 ( -3.011 0.839 0.716) 3.206 1.078 ( 1.044 4.963 -0.188) 5.075 1.194 ( 3.195 2.390 0.012) 3.990 1.325 ( 0.885 0.649 0.549) 1.227 1.367 ( 0.793 2.081 -1.021) 2.450 1.557 ( -0.608 -3.704 0.731) 3.824 1.606 ( 0.878 -4.434 -0.221) 4.525 1.702 ( -2.370 3.788 -0.389) 4.486 1.755 ( -0.131 5.878 1.387) 6.041 1.800 ( 0.608 3.432 1.634) 3.850 1.878 ( -0.649 -0.825 -3.880) 4.020 2.044 ( -1.904 -2.887 0.799) 3.550 2.117 ( -1.940 3.042 0.079) 3.609 2.190 ( -0.489 1.076 -1.012) 1.556 2.327 ( 5.832 3.016 -0.413) 6.579 2.496 ( -1.315 1.870 1.021) 2.504 2.585 ( 0.863 2.434 0.408) 2.614 2.740 ( -3.714 1.347 -0.734) 4.018 2.813 ( -1.658 3.022 -0.072) 3.448 2.815 ( -0.426 0.530 0.912) 1.138 2.912 ( -0.729 -0.542 -0.647) 1.115 3.369 ( 6.750 3.003 0.096) 7.389 3.473 ( 8.839 0.422 -0.041) 8.850 3.662 ( 1.132 2.267 1.079) 2.754 3.709 ( 1.664 1.940 -0.922) 2.717 3.901 ( -5.332 1.654 0.159) 5.585 3.935 ( -3.799 0.692 0.077) 3.862 4.002 ( -3.058 -0.110 0.140) 3.063 4.056 ( -0.192 -1.681 -0.079) 1.694 4.277 ( -1.463 1.070 0.039) 1.813 4.346 ( 0.573 -1.679 0.108) 1.777 4.412 ( 0.481 0.451 0.025) 0.659 4.422 ( -0.498 2.130 -0.213) 2.198 4.640 ( 0.865 0.156 -0.617) 1.074 4.672 ( 3.261 -1.738 0.353) 3.712 4.740 ( 1.054 0.175 0.813) 1.342 4.777 ( 1.061 -1.939 -0.601) 2.290 5.252 ( -1.509 -1.440 -0.067) 2.087 5.277 ( -0.325 -2.743 0.007) 2.762 5.329 ( -1.008 -1.008 0.105) 1.430 5.362 ( -0.432 -1.988 -0.052) 2.035 5.866 ( -1.359 -0.021 -0.027) 1.360 5.890 ( -0.097 -1.112 0.017) 1.116 8.425 ( 1.785 -0.625 0.881) 2.086 8.473 ( 2.379 -0.383 -0.857) 2.557 12.513 ( -1.976 3.277 1.061) 3.971 12.560 ( 1.313 1.357 -0.214) 1.900 12.576 ( 1.054 -1.054 -0.596) 1.606 12.608 ( 0.052 0.563 -0.517) 0.766 12.978 ( -0.306 4.045 -0.022) 4.056 12.998 ( -3.518 2.654 1.530) 4.665 13.067 ( 3.849 2.466 -1.902) 4.951 13.203 ( 1.101 -0.506 2.192) 2.504 13.350 ( 1.089 3.197 -1.616) 3.744 13.413 ( 1.405 2.334 0.003) 2.724 ======================= Grid point 130 (59/95) ======================= q-point: (-0.22 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.483 ( 0.567 3.364 -1.467) 3.713 0.544 ( -0.551 1.783 -0.086) 1.868 0.652 ( 0.398 2.770 5.242) 5.942 0.751 ( -1.317 1.682 -3.242) 3.882 0.914 ( 3.064 2.818 -0.880) 4.255 0.996 ( -0.585 1.698 0.086) 1.798 1.031 ( -0.771 5.379 0.724) 5.482 1.196 ( 2.345 4.790 -0.174) 5.336 1.333 ( -0.348 2.233 0.551) 2.326 1.359 ( 0.778 0.164 -0.651) 1.028 1.595 ( 2.108 -0.969 -0.302) 2.340 1.614 ( -2.496 2.165 -0.340) 3.322 1.643 ( -1.452 0.888 -0.306) 1.729 1.721 ( 1.352 2.324 1.165) 2.930 1.802 ( -0.355 0.322 1.672) 1.739 1.888 ( 2.207 -2.826 -2.602) 4.430 2.024 ( -0.401 3.930 -0.110) 3.952 2.061 ( 0.851 -3.215 0.162) 3.330 2.215 ( 1.603 -2.943 -0.761) 3.437 2.402 ( 6.446 3.829 0.358) 7.506 2.443 ( -3.052 1.534 0.141) 3.419 2.571 ( 0.771 4.494 0.745) 4.620 2.670 ( -2.431 1.729 -0.294) 2.997 2.746 ( -1.826 2.306 -0.575) 2.997 2.853 ( 3.484 -0.154 1.406) 3.760 2.943 ( 2.853 -1.644 -0.769) 3.381 3.437 ( 4.807 4.773 -0.064) 6.774 3.545 ( 0.936 4.480 0.285) 4.586 3.639 ( -2.670 1.153 0.138) 2.912 3.736 ( 1.823 1.967 0.078) 2.683 3.792 ( -4.510 0.142 -0.183) 4.516 3.881 ( -0.277 1.112 -0.039) 1.147 3.951 ( -2.110 0.352 -0.058) 2.139 4.072 ( 0.076 -2.755 0.050) 2.757 4.234 ( -1.893 2.426 0.278) 3.090 4.301 ( -2.349 3.362 -0.305) 4.112 4.408 ( -0.053 0.586 0.098) 0.597 4.460 ( 3.594 -1.163 -0.070) 3.778 4.654 ( 1.214 0.937 -0.295) 1.561 4.747 ( 1.926 -2.304 0.875) 3.128 4.756 ( 0.941 -0.225 -0.365) 1.034 4.813 ( 0.463 -2.335 -0.203) 2.389 5.229 ( -2.425 -1.058 -0.039) 2.646 5.302 ( -0.250 -3.203 0.135) 3.216 5.318 ( -1.374 -1.068 -0.105) 1.743 5.370 ( -0.891 -2.146 -0.015) 2.324 5.841 ( -1.317 -0.081 -0.083) 1.322 5.898 ( -0.449 -1.341 0.070) 1.416 8.462 ( 1.742 -0.047 0.221) 1.757 8.535 ( 3.814 -0.929 -0.211) 3.931 12.450 ( -0.809 3.867 0.627) 4.001 12.558 ( 0.256 1.451 -0.355) 1.515 12.607 ( 0.824 -1.538 -0.500) 1.815 12.624 ( 1.466 -0.763 -0.332) 1.686 12.885 ( -3.869 3.749 1.729) 5.658 12.954 ( 0.051 4.362 -0.788) 4.433 13.106 ( 4.534 3.115 -1.372) 5.669 13.225 ( 0.753 0.167 2.674) 2.783 13.353 ( 3.342 3.316 -2.286) 5.233 13.413 ( 1.552 2.672 0.535) 3.136 ======================= Grid point 131 (60/95) ======================= q-point: (-0.11 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.451 ( 1.341 4.666 -2.386) 5.409 0.522 ( 0.192 1.022 -0.258) 1.072 0.618 ( -0.546 3.701 0.647) 3.796 0.730 ( -1.146 -0.090 1.280) 1.721 0.914 ( -0.592 6.330 0.026) 6.358 0.980 ( 1.908 0.067 -1.888) 2.685 1.042 ( 4.771 -1.054 0.813) 4.953 1.202 ( 3.459 4.833 0.352) 5.954 1.286 ( -1.750 1.230 0.052) 2.140 1.372 ( -0.134 -0.886 -0.198) 0.918 1.544 ( -3.193 1.222 -0.153) 3.423 1.568 ( -3.209 3.457 -0.474) 4.741 1.601 ( -0.207 2.367 0.070) 2.377 1.772 ( 1.075 3.434 -0.108) 3.600 1.821 ( 4.888 -6.647 0.737) 8.284 1.997 ( 5.588 -4.460 -0.703) 7.183 2.074 ( 5.445 -2.260 0.017) 5.895 2.124 ( 1.773 -3.584 0.010) 3.999 2.282 ( 2.660 -2.208 -0.334) 3.473 2.375 ( -1.878 2.593 -0.372) 3.223 2.463 ( 2.570 1.488 0.664) 3.042 2.518 ( -0.869 5.567 0.641) 5.671 2.621 ( -0.318 3.322 -0.299) 3.351 2.696 ( -0.329 3.002 0.037) 3.021 2.941 ( 4.785 -1.986 1.411) 5.369 3.019 ( 4.284 -1.142 -1.120) 4.573 3.403 ( -6.846 2.847 -0.128) 7.416 3.450 ( -3.599 2.939 0.086) 4.647 3.579 ( -1.188 3.304 0.836) 3.610 3.650 ( -5.222 0.817 -0.676) 5.329 3.822 ( 4.734 1.790 -0.015) 5.061 3.885 ( 1.328 1.928 0.049) 2.342 3.932 ( 0.117 -0.355 -0.218) 0.433 4.123 ( 2.235 -2.276 0.385) 3.213 4.160 ( -2.726 2.715 -0.350) 3.863 4.260 ( 0.950 2.915 0.105) 3.068 4.399 ( -0.531 0.203 -0.021) 0.569 4.526 ( 2.393 -1.072 -0.040) 2.622 4.658 ( 0.703 1.364 -0.127) 1.540 4.759 ( -0.123 0.173 -0.153) 0.261 4.790 ( -0.031 -1.842 0.459) 1.899 4.835 ( -0.513 -2.335 -0.131) 2.394 5.196 ( -2.319 -0.894 -0.045) 2.486 5.301 ( -1.404 -1.019 0.012) 1.735 5.333 ( 0.171 -2.241 0.017) 2.247 5.372 ( -1.028 -1.394 -0.020) 1.732 5.825 ( -0.761 -0.292 -0.053) 0.817 5.901 ( -0.523 -0.919 0.046) 1.058 8.485 ( 0.986 0.056 0.003) 0.987 8.605 ( 3.120 -0.607 -0.010) 3.179 12.423 ( 1.177 2.513 0.277) 2.788 12.546 ( -0.064 1.017 -0.142) 1.029 12.621 ( -1.018 -1.604 0.110) 1.903 12.659 ( 1.627 -0.826 -0.852) 2.014 12.801 ( -1.796 3.963 1.471) 4.593 12.907 ( -0.395 3.508 -0.710) 3.601 13.160 ( 4.750 1.733 -0.878) 5.132 13.239 ( 0.788 0.942 1.589) 2.008 13.378 ( 3.031 2.113 -1.381) 3.945 13.421 ( 1.866 1.933 0.508) 2.734 ======================= Grid point 137 (61/95) ======================= q-point: ( 0.56 -0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.537 ( -0.513 -0.000 -1.275) 1.375 0.560 ( 1.721 0.000 1.080) 2.032 0.650 ( 0.232 0.000 5.366) 5.371 0.835 ( -0.642 -0.000 -4.498) 4.544 1.005 ( -4.284 -0.000 0.001) 4.284 1.053 ( -2.833 -0.000 0.862) 2.961 1.133 ( 1.409 0.000 -0.327) 1.447 1.201 ( 3.041 0.000 0.207) 3.048 1.347 ( 1.080 0.000 0.523) 1.200 1.395 ( 1.798 0.000 -1.471) 2.323 1.505 ( -0.009 -0.000 1.450) 1.450 1.538 ( -0.487 -0.000 -0.238) 0.543 1.731 ( -1.335 -0.000 0.636) 1.479 1.833 ( -2.995 -0.000 -0.538) 3.043 1.850 ( -3.275 -0.000 0.926) 3.403 1.868 ( -2.192 -0.000 -2.101) 3.037 2.009 ( 1.007 0.000 1.589) 1.881 2.101 ( 1.652 0.000 -1.875) 2.499 2.255 ( 0.218 0.000 0.812) 0.841 2.341 ( 2.635 0.000 -1.382) 2.976 2.518 ( -1.490 -0.000 1.165) 1.891 2.612 ( 1.094 0.000 0.458) 1.186 2.754 ( -4.286 -0.000 -1.149) 4.437 2.824 ( -1.157 -0.000 1.007) 1.534 2.847 ( -2.247 -0.000 0.322) 2.270 2.902 ( -1.970 -0.000 -1.042) 2.229 3.420 ( 10.103 0.000 0.625) 10.122 3.459 ( 9.166 0.000 -0.707) 9.193 3.691 ( 1.619 0.000 1.613) 2.286 3.728 ( 0.373 0.000 -1.369) 1.419 3.931 ( -6.548 -0.000 -0.089) 6.548 3.932 ( -4.769 -0.000 0.386) 4.785 4.011 ( -1.610 -0.000 0.796) 1.796 4.024 ( -1.424 -0.000 -0.755) 1.612 4.300 ( -0.402 -0.000 -0.034) 0.403 4.314 ( 1.756 0.000 0.282) 1.779 4.418 ( 0.473 0.000 0.318) 0.570 4.443 ( -0.119 -0.000 -0.495) 0.509 4.637 ( 0.813 0.000 -0.853) 1.179 4.659 ( 2.730 0.000 0.617) 2.799 4.748 ( -0.070 -0.000 -1.405) 1.407 4.754 ( 2.233 0.000 1.520) 2.702 5.238 ( -0.772 -0.000 -0.118) 0.781 5.245 ( -0.913 -0.000 0.068) 0.916 5.319 ( -0.737 -0.000 -0.047) 0.738 5.340 ( -0.448 -0.000 0.099) 0.459 5.871 ( -0.448 -0.000 0.534) 0.697 5.873 ( -1.020 -0.000 -0.530) 1.150 8.418 ( 2.157 0.000 1.161) 2.450 8.469 ( 2.134 0.000 -1.129) 2.414 12.545 ( -1.335 -0.000 1.142) 1.757 12.565 ( 0.794 0.000 -0.365) 0.873 12.572 ( 1.473 0.000 0.431) 1.535 12.617 ( -1.594 -0.000 -1.471) 2.169 13.019 ( 1.077 0.000 -0.617) 1.241 13.020 ( -5.709 -0.000 2.040) 6.063 13.099 ( 4.938 0.000 -2.657) 5.608 13.195 ( 0.641 0.000 3.149) 3.214 13.384 ( 1.039 0.000 -1.724) 2.013 13.436 ( 1.307 0.000 0.048) 1.308 ======================= Grid point 139 (62/95) ======================= q-point: (-0.33 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.528 ( 0.614 1.207 -1.533) 2.046 0.570 ( -0.371 0.752 0.144) 0.851 0.679 ( 1.291 0.456 5.939) 6.095 0.786 ( -3.005 1.223 -4.605) 5.633 0.952 ( -0.461 1.012 -0.509) 1.223 1.014 ( -0.876 0.856 0.763) 1.443 1.128 ( -0.378 3.489 0.115) 3.511 1.225 ( -0.550 -1.732 -0.209) 1.829 1.358 ( 1.435 2.683 0.556) 3.093 1.421 ( 2.831 3.483 -0.862) 4.570 1.522 ( 0.324 -3.110 0.937) 3.264 1.571 ( 0.742 -5.210 -0.245) 5.269 1.660 ( -5.051 0.909 -1.335) 5.303 1.752 ( -4.869 0.779 1.648) 5.199 1.834 ( 0.616 1.178 -0.730) 1.517 1.851 ( 1.554 -0.949 -0.319) 1.849 2.036 ( 2.012 0.539 0.908) 2.272 2.132 ( 0.948 1.048 -0.449) 1.483 2.188 ( -1.989 4.200 -0.340) 4.660 2.375 ( -0.621 -3.780 -1.088) 3.982 2.504 ( 0.952 1.929 0.869) 2.320 2.637 ( 1.778 1.827 0.141) 2.553 2.694 ( -1.550 0.681 -0.165) 1.701 2.777 ( -1.237 1.122 -0.296) 1.697 2.867 ( 2.143 0.776 1.848) 2.934 2.906 ( 1.972 -1.592 -1.541) 2.967 3.538 ( 5.412 4.688 0.034) 7.160 3.610 ( 6.083 -0.213 0.033) 6.086 3.661 ( -5.534 3.224 0.101) 6.405 3.730 ( -2.311 -2.438 0.123) 3.361 3.818 ( -2.504 2.318 -0.093) 3.413 3.872 ( -1.535 -1.947 0.030) 2.480 3.971 ( -1.283 1.869 0.016) 2.266 4.017 ( -0.656 -2.653 -0.051) 2.733 4.275 ( -1.564 1.457 0.769) 2.271 4.334 ( -0.575 0.237 -0.507) 0.802 4.428 ( 0.826 0.940 -0.185) 1.265 4.447 ( 1.623 -0.144 0.120) 1.634 4.658 ( 1.063 -0.280 -0.301) 1.139 4.711 ( 1.769 -1.139 0.660) 2.205 4.749 ( 0.640 -0.365 -1.368) 1.554 4.792 ( 1.594 -0.088 0.939) 1.852 5.220 ( -1.131 0.239 -0.058) 1.158 5.245 ( -0.287 -2.279 0.046) 2.297 5.306 ( -0.834 -0.064 -0.121) 0.845 5.334 ( -0.935 -1.348 0.117) 1.644 5.848 ( -0.971 0.709 -0.220) 1.222 5.871 ( -0.617 -1.293 0.228) 1.450 8.466 ( 2.773 0.328 0.758) 2.893 8.517 ( 3.231 -0.683 -0.731) 3.383 12.508 ( -1.844 1.763 1.340) 2.882 12.570 ( -1.326 -0.226 1.139) 1.763 12.591 ( 0.690 -0.020 -2.724) 2.810 12.611 ( 1.990 -0.428 -0.426) 2.079 12.926 ( -5.135 0.800 1.749) 5.483 13.014 ( -0.984 1.511 -0.983) 2.054 13.167 ( 4.743 2.580 -1.838) 5.704 13.218 ( 1.316 -0.817 3.222) 3.575 13.405 ( 2.581 1.555 -2.211) 3.738 13.451 ( 0.903 1.045 0.714) 1.554 ======================= Grid point 140 (63/95) ======================= q-point: (-0.22 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.522 ( 0.608 2.451 -1.484) 2.929 0.543 ( -1.015 0.927 0.031) 1.375 0.678 ( -2.509 2.300 -0.949) 3.533 0.724 ( -1.059 -0.373 1.863) 2.175 0.960 ( 1.727 0.507 -1.450) 2.312 1.032 ( 3.300 -0.014 0.941) 3.431 1.050 ( -3.023 5.117 -0.178) 5.946 1.247 ( 0.835 -2.627 0.099) 2.758 1.341 ( -0.313 3.376 0.450) 3.420 1.394 ( -0.197 6.024 -0.569) 6.054 1.566 ( -3.161 0.053 -0.888) 3.283 1.585 ( -2.604 -2.460 0.326) 3.597 1.601 ( -0.328 -2.331 0.113) 2.357 1.692 ( -2.937 -4.294 0.259) 5.208 1.846 ( 3.970 2.311 -0.657) 4.641 1.926 ( 4.788 -2.002 1.023) 5.289 2.082 ( 3.295 1.059 -0.501) 3.497 2.091 ( 3.242 2.821 0.758) 4.364 2.226 ( 2.958 -3.009 -0.854) 4.305 2.376 ( -2.023 -1.827 -0.670) 2.807 2.512 ( 0.775 2.116 1.351) 2.628 2.619 ( 0.281 2.667 -0.951) 2.845 2.668 ( -1.732 2.638 0.707) 3.234 2.745 ( -0.214 2.297 -0.319) 2.329 2.918 ( 3.678 -0.508 1.547) 4.022 2.981 ( 4.268 -2.491 -1.377) 5.130 3.462 ( -9.724 2.701 -0.330) 10.097 3.519 ( -5.521 3.300 0.396) 6.445 3.643 ( 0.013 3.187 0.776) 3.280 3.668 ( -3.135 1.273 -0.648) 3.445 3.841 ( 3.639 -0.285 0.044) 3.651 3.887 ( -0.507 -1.774 -0.053) 1.846 3.942 ( 0.051 1.830 -0.121) 1.835 4.065 ( 2.663 -3.164 -0.113) 4.137 4.218 ( -3.105 2.672 1.114) 4.246 4.304 ( -0.623 1.402 -0.855) 1.756 4.422 ( 0.279 1.943 0.015) 1.963 4.499 ( 2.423 -1.666 0.006) 2.941 4.666 ( -0.472 -0.419 0.007) 0.631 4.728 ( -1.295 -2.581 -0.357) 2.910 4.775 ( 1.574 -0.038 -0.036) 1.575 4.816 ( 1.200 0.251 0.405) 1.292 5.197 ( -0.873 0.928 -0.059) 1.275 5.276 ( 0.706 -2.549 -0.039) 2.645 5.293 ( -0.423 -0.315 0.046) 0.529 5.339 ( -0.409 -1.843 0.023) 1.888 5.829 ( -0.363 0.654 -0.119) 0.758 5.877 ( -0.251 -1.403 0.129) 1.431 8.499 ( 1.671 1.210 0.184) 2.071 8.583 ( 2.992 -1.491 -0.177) 3.348 12.470 ( -0.557 1.963 0.853) 2.212 12.550 ( -1.185 -0.457 0.571) 1.393 12.596 ( -0.458 -0.965 -1.720) 2.025 12.645 ( 1.560 -0.288 -0.563) 1.683 12.846 ( -3.405 0.948 1.765) 3.951 12.957 ( -3.092 1.490 -0.815) 3.528 13.207 ( 3.641 2.774 -0.211) 4.583 13.258 ( 1.667 0.633 0.923) 2.008 13.422 ( 1.846 1.996 -1.495) 3.103 13.454 ( 0.632 1.270 0.692) 1.578 ======================= Grid point 141 (64/95) ======================= q-point: (-0.11 -0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.491 ( -0.563 1.262 -1.189) 1.823 0.534 ( 0.590 1.228 -0.636) 1.503 0.589 ( -4.845 0.384 -3.053) 5.740 0.729 ( 0.203 0.345 3.700) 3.722 0.935 ( -3.230 3.919 0.034) 5.079 0.984 ( 0.998 0.759 -1.760) 2.160 1.116 ( 3.822 -1.728 0.705) 4.254 1.279 ( 0.094 3.349 -0.108) 3.352 1.291 ( -1.223 2.627 0.004) 2.897 1.333 ( -0.918 -1.264 -0.078) 1.564 1.509 ( -2.145 1.992 -0.225) 2.936 1.524 ( -2.653 -0.473 -0.413) 2.726 1.593 ( -1.736 0.083 0.168) 1.746 1.725 ( -0.553 -4.379 -0.038) 4.414 1.938 ( 6.597 -0.354 0.068) 6.607 2.050 ( 5.372 -3.413 0.606) 6.393 2.144 ( 3.479 -0.368 -0.454) 3.528 2.156 ( 3.810 -0.047 0.549) 3.850 2.294 ( 0.809 -1.816 -0.549) 2.062 2.357 ( -0.051 -0.369 -0.783) 0.867 2.464 ( -3.198 2.270 1.340) 4.145 2.550 ( -2.876 6.309 -0.230) 6.938 2.637 ( -1.073 -0.611 -0.353) 1.284 2.718 ( -1.260 0.774 0.605) 1.598 3.012 ( 5.286 -1.541 0.969) 5.591 3.073 ( 3.398 -1.403 -0.749) 3.752 3.276 ( -7.065 1.897 -0.768) 7.356 3.386 ( -6.334 0.989 0.671) 6.446 3.582 ( -2.993 2.696 -0.403) 4.048 3.616 ( -0.702 1.723 0.299) 1.884 3.881 ( -1.359 -1.694 0.100) 2.174 3.888 ( 0.537 0.399 -0.087) 0.675 3.948 ( 1.823 -0.140 -0.128) 1.833 4.129 ( -1.734 -0.329 -0.793) 1.935 4.147 ( 0.551 -0.269 1.198) 1.346 4.286 ( -0.415 0.737 -0.254) 0.883 4.404 ( 0.080 2.025 0.018) 2.027 4.545 ( 1.096 -1.196 -0.047) 1.623 4.658 ( -1.024 -1.079 -0.003) 1.488 4.731 ( -1.032 -2.716 -0.288) 2.919 4.789 ( 0.717 1.064 0.161) 1.293 4.835 ( 1.438 0.700 0.163) 1.607 5.176 ( 0.002 1.381 -0.073) 1.382 5.284 ( 0.190 0.155 -0.005) 0.245 5.326 ( 1.365 -1.807 0.052) 2.265 5.350 ( -0.055 -0.954 -0.017) 0.956 5.821 ( 0.141 0.610 -0.047) 0.628 5.888 ( 0.150 -0.861 0.061) 0.876 8.504 ( 0.485 1.182 0.001) 1.278 8.635 ( 1.255 -1.211 -0.012) 1.744 12.453 ( -0.245 1.097 0.289) 1.161 12.544 ( -0.278 -0.428 0.604) 0.790 12.588 ( -0.767 -1.170 -0.715) 1.571 12.667 ( 0.446 -0.968 -0.777) 1.319 12.798 ( -1.877 1.007 1.568) 2.645 12.895 ( -2.528 -0.173 -0.831) 2.667 13.235 ( 1.722 1.631 -0.964) 2.560 13.259 ( -0.160 1.342 1.268) 1.854 13.419 ( 0.010 1.144 -0.735) 1.360 13.452 ( 0.007 0.631 0.310) 0.703 ======================= Grid point 148 (65/95) ======================= q-point: (-0.33 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( 1.238 0.000 -1.358) 1.838 0.551 ( -2.271 -0.000 0.317) 2.293 0.704 ( -5.444 -0.000 -4.786) 7.249 0.717 ( 0.975 0.000 5.298) 5.387 0.967 ( 1.956 0.000 -1.384) 2.396 1.032 ( 2.097 0.000 0.702) 2.212 1.142 ( -1.008 -0.000 0.819) 1.299 1.167 ( -2.954 -0.000 -0.655) 3.026 1.411 ( 1.786 0.000 -0.036) 1.786 1.500 ( 0.690 0.000 0.484) 0.842 1.514 ( 1.330 0.000 0.190) 1.343 1.526 ( -1.617 -0.000 -1.142) 1.979 1.579 ( -2.814 -0.000 -1.150) 3.040 1.651 ( -6.460 -0.000 1.323) 6.595 1.865 ( 3.727 0.000 -2.186) 4.321 1.910 ( 4.223 0.000 2.545) 4.930 2.094 ( 3.482 0.000 1.123) 3.658 2.172 ( 3.098 0.000 -1.298) 3.359 2.189 ( -0.488 -0.000 1.205) 1.300 2.328 ( -0.011 -0.000 -2.215) 2.215 2.532 ( 0.382 0.000 1.427) 1.477 2.629 ( -2.525 -0.000 -0.970) 2.705 2.715 ( 1.167 0.000 0.907) 1.477 2.773 ( -1.349 -0.000 -0.449) 1.422 2.914 ( 2.970 0.000 1.947) 3.551 2.946 ( 4.485 0.000 -2.086) 4.947 3.491 ( -10.639 -0.000 -0.487) 10.650 3.554 ( -8.947 -0.000 0.602) 8.967 3.686 ( 0.849 0.000 -0.614) 1.048 3.686 ( 0.517 0.000 0.769) 0.927 3.829 ( 0.137 0.000 0.303) 0.333 3.855 ( 0.762 0.000 -0.403) 0.862 3.992 ( 0.945 0.000 -0.308) 0.994 4.004 ( 1.692 0.000 0.191) 1.702 4.247 ( -2.562 -0.000 1.607) 3.025 4.316 ( -1.722 -0.000 -1.297) 2.156 4.457 ( 1.619 0.000 -0.483) 1.689 4.468 ( 1.280 0.000 0.497) 1.373 4.664 ( -0.261 -0.000 0.118) 0.286 4.692 ( -2.080 -0.000 -0.456) 2.130 4.776 ( 2.129 0.000 -0.095) 2.131 4.821 ( 1.542 0.000 0.395) 1.592 5.227 ( 0.692 0.000 -0.303) 0.755 5.228 ( 0.726 0.000 0.213) 0.757 5.303 ( 0.289 0.000 -0.086) 0.302 5.308 ( -0.814 -0.000 0.152) 0.828 5.845 ( 0.058 0.000 -0.679) 0.681 5.854 ( -0.371 -0.000 0.708) 0.799 8.518 ( 2.367 0.000 0.604) 2.443 8.561 ( 2.518 0.000 -0.590) 2.586 12.491 ( -1.378 -0.000 1.141) 1.789 12.543 ( -1.454 -0.000 1.801) 2.314 12.585 ( -0.584 -0.000 -3.120) 3.175 12.645 ( 1.743 0.000 -0.785) 1.912 12.853 ( -3.946 -0.000 1.671) 4.286 12.970 ( -4.242 -0.000 -0.615) 4.287 13.249 ( 1.962 0.000 3.003) 3.587 13.255 ( 3.459 0.000 -2.400) 4.210 13.444 ( 1.385 0.000 -1.579) 2.100 13.466 ( 0.090 0.000 0.892) 0.897 ======================= Grid point 149 (66/95) ======================= q-point: (-0.22 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.502 ( -3.093 0.188 0.425) 3.128 0.559 ( 0.871 0.780 -0.851) 1.446 0.587 ( -6.441 -0.239 -4.760) 8.012 0.735 ( -0.387 0.212 3.951) 3.975 0.999 ( 2.023 0.951 -1.874) 2.917 1.041 ( -3.486 5.302 -0.185) 6.348 1.091 ( 2.726 0.124 1.227) 2.992 1.192 ( -0.664 -6.803 0.197) 6.839 1.363 ( -3.385 4.704 -1.041) 5.888 1.448 ( -2.627 4.142 -0.347) 4.917 1.486 ( -1.400 -0.615 0.984) 1.818 1.545 ( -0.813 1.398 -0.488) 1.690 1.579 ( -1.393 -1.172 0.249) 1.837 1.612 ( 0.959 -6.334 -0.305) 6.414 1.945 ( 5.811 0.467 -0.926) 5.903 2.004 ( 5.318 -1.157 1.925) 5.772 2.153 ( 3.024 0.759 0.472) 3.153 2.182 ( 2.979 2.817 0.329) 4.113 2.243 ( 2.240 -2.779 -0.759) 3.649 2.348 ( 0.968 -1.064 -1.475) 2.060 2.512 ( -2.810 1.816 1.685) 3.746 2.585 ( -3.149 -2.627 -0.209) 4.106 2.671 ( -3.448 5.147 -0.206) 6.199 2.730 ( -3.575 -0.687 -0.045) 3.640 2.992 ( 5.323 -0.453 0.981) 5.432 3.043 ( 5.450 -1.211 -1.067) 5.684 3.303 ( -8.809 0.732 -1.108) 8.909 3.398 ( -8.224 0.296 0.921) 8.280 3.640 ( -4.126 2.378 -0.337) 4.774 3.654 ( -2.506 1.561 0.412) 2.981 3.842 ( -0.875 -1.267 0.559) 1.638 3.867 ( -0.250 -2.182 -0.476) 2.247 3.976 ( 0.438 3.259 -0.051) 3.288 4.064 ( 1.004 -4.188 -0.295) 4.317 4.192 ( -3.194 2.328 1.681) 4.295 4.281 ( -2.093 -1.027 -1.217) 2.630 4.457 ( 0.792 2.968 0.000) 3.072 4.510 ( 1.208 -2.343 0.019) 2.636 4.645 ( -1.043 0.473 -0.062) 1.147 4.678 ( -0.805 -2.493 -0.171) 2.625 4.806 ( 1.509 0.502 0.371) 1.633 4.848 ( 1.906 0.413 -0.193) 1.960 5.221 ( 1.257 2.837 -0.049) 3.104 5.277 ( 1.912 -2.392 -0.104) 3.064 5.300 ( 0.827 0.587 0.158) 1.027 5.327 ( 0.991 -1.235 -0.009) 1.583 5.840 ( 0.539 1.251 -0.050) 1.363 5.866 ( 0.510 -1.308 0.094) 1.407 8.537 ( 0.823 1.802 0.183) 1.990 8.602 ( 1.166 -1.780 -0.196) 2.137 12.472 ( -0.799 0.805 0.700) 1.333 12.532 ( -1.157 -0.501 3.015) 3.268 12.560 ( -1.140 -1.270 -3.363) 3.771 12.661 ( 0.471 0.109 -1.069) 1.173 12.804 ( -2.407 -0.026 1.701) 2.947 12.885 ( -5.073 -0.497 -0.855) 5.168 13.269 ( 0.445 1.402 -0.811) 1.680 13.281 ( 0.302 0.530 1.137) 1.290 13.439 ( -1.102 0.668 -0.809) 1.521 13.461 ( -0.857 0.216 0.388) 0.965 ======================= Grid point 150 (67/95) ======================= q-point: (-0.11 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.444 ( -4.840 -0.652 -2.806) 5.632 0.479 ( -4.588 -1.605 -1.616) 5.122 0.558 ( 0.048 1.090 0.459) 1.184 0.726 ( -1.550 -1.226 1.953) 2.779 0.899 ( -5.184 4.657 0.208) 6.972 1.008 ( -0.226 1.091 -2.163) 2.433 1.130 ( -1.515 -2.074 1.366) 2.909 1.222 ( -3.516 -0.405 0.008) 3.539 1.278 ( -0.709 -2.209 -0.342) 2.345 1.375 ( -0.571 4.368 0.325) 4.418 1.471 ( -0.551 -0.233 -0.383) 0.710 1.528 ( 0.131 1.119 -0.325) 1.172 1.559 ( -1.172 -0.641 0.128) 1.342 1.679 ( -0.303 -4.572 -0.221) 4.587 2.011 ( 1.534 1.821 -0.104) 2.384 2.107 ( 2.526 -1.281 0.023) 2.832 2.167 ( -0.405 -1.358 0.892) 1.674 2.230 ( 3.521 1.242 0.354) 3.750 2.269 ( -1.662 -1.294 -0.952) 2.312 2.352 ( -1.547 1.137 -0.329) 1.948 2.441 ( -1.460 1.043 1.021) 2.064 2.548 ( -5.446 0.164 -0.335) 5.459 2.571 ( -0.837 0.731 0.236) 1.136 2.649 ( -5.533 -0.288 0.004) 5.540 3.056 ( -4.827 0.363 0.898) 4.923 3.081 ( 1.695 -0.891 -0.436) 1.964 3.268 ( 6.011 0.168 -1.770) 6.268 3.319 ( 0.306 -1.057 1.184) 1.617 3.535 ( -4.523 1.245 0.085) 4.692 3.606 ( -1.827 -0.484 -0.077) 1.892 3.832 ( -1.848 -1.990 -0.094) 2.717 3.857 ( -2.989 -1.218 0.215) 3.235 3.962 ( -0.288 0.251 -0.199) 0.431 4.091 ( -1.531 -0.897 -0.476) 1.837 4.132 ( -1.639 -1.166 1.199) 2.341 4.255 ( -2.393 -1.551 -0.536) 2.901 4.434 ( 0.064 2.996 0.034) 2.997 4.543 ( 0.233 -1.502 -0.020) 1.520 4.635 ( 0.055 -0.005 -0.132) 0.143 4.703 ( 0.815 -2.292 -0.063) 2.433 4.821 ( 1.121 1.313 0.538) 1.808 4.876 ( 2.053 0.921 -0.424) 2.290 5.218 ( 1.956 3.073 -0.013) 3.643 5.308 ( 1.525 1.031 0.010) 1.840 5.336 ( 1.631 -1.600 0.069) 2.286 5.356 ( 1.533 -0.439 -0.054) 1.595 5.839 ( 0.806 1.323 0.060) 1.550 5.890 ( 0.875 -0.797 -0.019) 1.184 8.522 ( -0.285 1.887 0.034) 1.909 8.624 ( -0.798 -1.680 -0.062) 1.861 12.434 ( -2.707 0.863 -0.324) 2.860 12.534 ( -0.817 -2.225 3.062) 3.872 12.574 ( 1.484 -1.461 -1.598) 2.625 12.656 ( -0.411 -0.135 -1.227) 1.302 12.765 ( -2.881 -0.091 0.715) 2.970 12.826 ( -3.068 -2.872 -0.525) 4.235 13.221 ( -3.764 1.155 -0.686) 3.996 13.276 ( -0.574 0.932 1.015) 1.492 13.394 ( -3.388 -0.038 -0.500) 3.424 13.433 ( -2.456 -0.279 0.118) 2.474 ======================= Grid point 158 (68/95) ======================= q-point: (-0.22 -0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.445 ( -3.565 -0.000 1.197) 3.761 0.454 ( -7.032 -0.000 -5.850) 9.147 0.569 ( -0.023 -0.000 0.348) 0.349 0.715 ( -2.721 -0.000 1.998) 3.376 1.011 ( -1.322 -0.000 -2.064) 2.451 1.012 ( -5.985 -0.000 1.297) 6.124 1.062 ( -3.820 -0.000 -0.579) 3.864 1.179 ( 2.107 0.000 1.304) 2.478 1.339 ( -1.914 -0.000 -4.257) 4.668 1.343 ( -5.349 -0.000 3.522) 6.404 1.530 ( -1.687 -0.000 0.671) 1.815 1.538 ( -1.439 -0.000 -0.230) 1.458 1.566 ( 2.636 0.000 -0.722) 2.733 1.592 ( 0.020 0.000 -0.115) 0.116 2.034 ( 3.825 0.000 -0.582) 3.869 2.086 ( 3.636 0.000 0.577) 3.682 2.157 ( -2.967 -0.000 1.461) 3.307 2.226 ( -1.527 -0.000 -1.077) 1.869 2.256 ( 3.008 0.000 0.222) 3.016 2.374 ( 1.717 0.000 -1.167) 2.076 2.458 ( -5.099 -0.000 1.922) 5.449 2.501 ( -3.961 -0.000 -0.162) 3.964 2.622 ( -4.466 -0.000 -0.153) 4.468 2.653 ( -3.459 -0.000 -0.291) 3.471 3.058 ( -4.939 -0.000 0.926) 5.025 3.068 ( 2.056 0.000 -0.482) 2.111 3.264 ( 6.280 0.000 -2.491) 6.756 3.312 ( -0.189 -0.000 1.711) 1.721 3.563 ( -5.804 -0.000 0.488) 5.824 3.592 ( -4.770 -0.000 -0.423) 4.789 3.821 ( -2.244 -0.000 -1.003) 2.458 3.823 ( -1.732 -0.000 1.153) 2.081 3.994 ( -1.199 -0.000 0.052) 1.200 4.037 ( -0.132 -0.000 -0.550) 0.566 4.153 ( -3.598 -0.000 2.245) 4.241 4.222 ( -2.759 -0.000 -1.661) 3.220 4.492 ( -0.288 -0.000 0.376) 0.474 4.502 ( 0.833 0.000 -0.350) 0.904 4.655 ( 1.106 0.000 -0.376) 1.168 4.662 ( 1.072 0.000 0.169) 1.085 4.834 ( 1.222 0.000 0.770) 1.445 4.884 ( 2.121 0.000 -0.708) 2.236 5.272 ( 1.689 0.000 0.083) 1.691 5.296 ( 2.726 0.000 -0.123) 2.728 5.325 ( 1.443 0.000 0.198) 1.456 5.348 ( 1.876 0.000 -0.109) 1.879 5.864 ( 0.676 0.000 0.721) 0.989 5.871 ( 1.349 0.000 -0.660) 1.501 8.553 ( -0.396 -0.000 0.250) 0.468 8.595 ( -0.573 -0.000 -0.286) 0.641 12.472 ( -0.546 -0.000 1.575) 1.667 12.474 ( -4.032 -0.000 -1.045) 4.165 12.562 ( 1.493 0.000 1.518) 2.129 12.659 ( -0.164 -0.000 -2.029) 2.036 12.772 ( -2.091 -0.000 1.503) 2.575 12.785 ( -5.324 -0.000 -1.456) 5.519 13.235 ( -4.026 -0.000 -0.720) 4.090 13.287 ( -1.041 -0.000 1.106) 1.519 13.393 ( -4.194 -0.000 -0.407) 4.214 13.430 ( -2.880 -0.000 0.026) 2.880 ======================= Grid point 159 (69/95) ======================= q-point: (-0.11 -0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.312 ( -7.586 0.011 -5.163) 9.176 0.406 ( -2.193 -1.989 1.751) 3.439 0.563 ( -0.688 0.791 0.988) 1.441 0.667 ( -3.590 -1.507 -0.384) 3.913 0.842 ( -7.377 4.635 0.530) 8.729 0.968 ( -3.630 -0.689 -1.613) 4.031 0.997 ( -8.414 -4.646 0.712) 9.637 1.187 ( -3.473 -2.501 0.429) 4.302 1.237 ( -3.997 3.250 1.250) 5.301 1.339 ( -2.800 -3.705 -1.163) 4.788 1.481 ( -2.364 1.887 -0.092) 3.027 1.506 ( -2.011 0.929 0.467) 2.264 1.535 ( -3.939 -0.017 -0.072) 3.940 1.617 ( -1.153 -3.926 -0.948) 4.200 2.019 ( -8.557 -0.916 -0.906) 8.653 2.031 ( -2.806 2.413 0.605) 3.750 2.187 ( 1.619 -1.627 1.118) 2.553 2.210 ( -0.294 -3.045 -1.590) 3.448 2.271 ( -1.533 3.139 0.519) 3.532 2.338 ( -1.557 1.900 1.340) 2.798 2.403 ( -3.375 -0.630 -0.806) 3.526 2.450 ( -2.935 -1.625 0.202) 3.361 2.587 ( 1.215 1.086 0.547) 1.719 2.612 ( 0.658 0.983 -0.623) 1.337 2.975 ( -3.706 0.186 0.515) 3.746 3.051 ( -2.576 -0.231 -0.458) 2.627 3.367 ( 1.774 0.398 -0.323) 1.847 3.410 ( 8.586 -0.788 0.511) 8.637 3.465 ( -3.488 1.326 0.367) 3.750 3.541 ( -1.802 -4.560 -0.630) 4.943 3.784 ( -1.573 -0.552 -0.748) 1.827 3.806 ( -0.796 -1.014 0.850) 1.544 3.956 ( -1.039 2.015 -0.350) 2.294 4.055 ( 0.016 -3.379 -0.619) 3.435 4.099 ( -1.825 0.507 1.791) 2.607 4.190 ( -2.060 -2.026 -0.853) 3.012 4.456 ( -1.060 3.190 0.087) 3.363 4.525 ( -0.346 -1.928 -0.156) 1.965 4.665 ( 1.772 2.102 -0.265) 2.762 4.707 ( 1.717 -1.927 -0.009) 2.581 4.848 ( 0.469 0.838 0.918) 1.329 4.913 ( 1.441 0.457 -0.815) 1.718 5.286 ( 2.013 2.729 0.037) 3.391 5.343 ( 1.430 0.620 0.086) 1.561 5.353 ( 1.800 -1.210 0.053) 2.170 5.381 ( 1.615 -0.587 -0.202) 1.730 5.871 ( 1.048 1.395 0.303) 1.771 5.899 ( 1.176 -0.860 -0.246) 1.477 8.529 ( -1.016 1.718 0.206) 2.006 8.581 ( -2.112 -1.453 -0.249) 2.576 12.388 ( -3.714 1.601 -0.869) 4.137 12.483 ( -1.787 -3.733 2.448) 4.809 12.599 ( 1.887 -0.295 1.604) 2.494 12.653 ( 0.607 0.345 -2.753) 2.840 12.700 ( -3.998 -0.741 -1.040) 4.197 12.749 ( -2.572 -2.560 0.669) 3.690 13.142 ( -5.764 0.523 -0.903) 5.858 13.251 ( -3.479 0.174 1.805) 3.924 13.310 ( -4.961 -0.816 -1.062) 5.138 13.366 ( -4.729 -0.608 0.175) 4.771 ======================= Grid point 168 (70/95) ======================= q-point: (-0.11 -0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.199 ( -3.161 -0.000 0.462) 3.195 0.388 ( 0.980 0.000 2.414) 2.605 0.551 ( -1.734 -0.000 0.487) 1.801 0.552 ( -10.307 -0.000 -1.120) 10.368 0.752 ( -3.894 -0.000 -1.064) 4.037 0.783 ( -11.490 -0.000 0.174) 11.491 0.901 ( -6.471 -0.000 -0.841) 6.526 1.008 ( -15.772 -0.000 -0.751) 15.790 1.088 ( -14.217 -0.000 4.343) 14.865 1.255 ( -4.492 -0.000 -2.231) 5.016 1.416 ( -4.729 -0.000 1.309) 4.906 1.457 ( -0.744 -0.000 -0.882) 1.154 1.497 ( -2.190 -0.000 1.381) 2.589 1.575 ( -0.338 -0.000 -2.514) 2.536 1.864 ( -7.572 -0.000 -0.734) 7.608 1.982 ( -3.604 -0.000 0.908) 3.716 2.165 ( -2.799 -0.000 -1.553) 3.201 2.180 ( -2.620 -0.000 1.024) 2.813 2.286 ( -1.626 -0.000 0.550) 1.716 2.310 ( 1.239 0.000 -1.030) 1.611 2.381 ( -0.346 -0.000 -0.991) 1.050 2.402 ( -1.153 -0.000 1.551) 1.932 2.636 ( 2.397 0.000 -1.007) 2.600 2.645 ( 3.044 0.000 0.888) 3.171 2.944 ( -0.615 -0.000 -0.055) 0.618 3.019 ( -0.991 -0.000 0.049) 0.993 3.307 ( -5.682 -0.000 1.329) 5.835 3.404 ( -4.553 -0.000 -0.962) 4.653 3.530 ( 4.144 0.000 -0.174) 4.148 3.531 ( 1.959 0.000 0.105) 1.962 3.787 ( 2.679 0.000 -1.132) 2.908 3.822 ( 2.762 0.000 1.301) 3.054 3.970 ( 0.792 0.000 -1.050) 1.315 4.029 ( -0.726 -0.000 0.645) 0.971 4.099 ( 1.901 0.000 0.950) 2.125 4.164 ( 0.584 0.000 -0.722) 0.929 4.448 ( -2.360 -0.000 0.263) 2.375 4.498 ( -1.245 -0.000 -0.891) 1.530 4.712 ( 1.425 0.000 -1.231) 1.883 4.720 ( 1.525 0.000 0.613) 1.644 4.853 ( -0.794 -0.000 1.111) 1.365 4.927 ( 0.053 0.000 -0.856) 0.857 5.325 ( 0.845 0.000 -0.138) 0.856 5.368 ( 0.869 0.000 0.604) 1.058 5.372 ( 1.301 0.000 -0.453) 1.378 5.397 ( 0.864 0.000 -0.575) 1.038 5.897 ( 0.830 0.000 0.673) 1.068 5.914 ( 1.237 0.000 -0.606) 1.378 8.521 ( -1.226 -0.000 0.725) 1.425 8.529 ( -2.681 -0.000 -0.734) 2.780 12.332 ( -3.299 -0.000 -1.445) 3.601 12.437 ( -1.776 -0.000 2.467) 3.040 12.621 ( -3.612 -0.000 -1.332) 3.850 12.629 ( 0.630 0.000 2.964) 3.031 12.672 ( 2.164 0.000 -3.482) 4.100 12.691 ( -2.585 -0.000 0.689) 2.676 13.044 ( -5.177 -0.000 -1.692) 5.447 13.168 ( -6.187 -0.000 2.671) 6.739 13.232 ( -2.992 -0.000 -1.677) 3.430 13.272 ( -5.503 -0.000 0.564) 5.532 ======================= Grid point 169 (71/95) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.260 ( 2.152 0.000 -5.158) 5.589 0.260 ( -2.152 -0.000 5.158) 5.589 0.332 ( -3.242 -0.000 -6.751) 7.490 0.332 ( 3.242 0.000 6.751) 7.490 0.517 ( 0.436 0.000 -0.910) 1.009 0.517 ( -0.436 -0.000 0.910) 1.009 0.661 ( 0.977 0.000 -11.891) 11.931 0.661 ( -0.977 -0.000 11.891) 11.931 1.064 ( -0.418 -0.000 -1.848) 1.895 1.064 ( 0.418 0.000 1.849) 1.895 1.467 ( -3.015 -0.000 -3.642) 4.728 1.467 ( 3.015 0.000 3.642) 4.728 1.475 ( 1.300 0.000 -0.754) 1.503 1.475 ( -1.300 -0.000 0.754) 1.503 1.731 ( -4.890 -0.000 0.231) 4.895 1.731 ( 4.890 0.000 -0.231) 4.895 2.090 ( 0.581 0.000 -0.289) 0.649 2.090 ( -0.581 -0.000 0.289) 0.649 2.310 ( -0.899 -0.000 -0.368) 0.972 2.310 ( 0.899 0.000 0.368) 0.972 2.379 ( -1.180 -0.000 -0.451) 1.263 2.379 ( 1.180 0.000 0.451) 1.263 2.696 ( -0.782 -0.000 0.180) 0.802 2.696 ( 0.782 0.000 -0.180) 0.802 2.973 ( -2.147 -0.000 -0.901) 2.328 2.973 ( 2.147 0.000 0.901) 2.328 3.256 ( -0.195 -0.000 -2.639) 2.646 3.256 ( 0.195 0.000 2.639) 2.646 3.557 ( 0.020 0.000 -1.117) 1.117 3.557 ( -0.020 -0.000 1.117) 1.117 3.897 ( 2.029 0.000 -0.775) 2.172 3.897 ( -2.029 -0.000 0.775) 2.172 3.986 ( 2.337 0.000 -0.837) 2.483 3.986 ( -2.337 -0.000 0.837) 2.483 4.218 ( -0.491 -0.000 -0.548) 0.736 4.218 ( 0.491 0.000 0.548) 0.736 4.364 ( 0.297 0.000 -0.538) 0.614 4.364 ( -0.297 -0.000 0.538) 0.614 4.740 ( -2.537 -0.000 0.398) 2.568 4.740 ( 2.537 0.000 -0.398) 2.568 4.864 ( -0.267 -0.000 -2.117) 2.134 4.864 ( 0.267 0.000 2.117) 2.134 5.339 ( -1.314 -0.000 0.087) 1.317 5.339 ( 1.314 0.000 -0.087) 1.317 5.388 ( 0.477 0.000 -0.318) 0.573 5.388 ( -0.477 -0.000 0.318) 0.573 5.927 ( 0.261 0.000 -0.725) 0.771 5.927 ( -0.261 -0.000 0.725) 0.771 8.500 ( 1.934 0.000 -0.757) 2.077 8.500 ( -1.934 -0.000 0.757) 2.077 12.293 ( -4.767 -0.000 0.054) 4.767 12.293 ( 4.767 0.000 -0.054) 4.767 12.585 ( -1.018 -0.000 -1.241) 1.605 12.585 ( 1.018 0.000 1.241) 1.605 12.689 ( 2.681 0.000 -3.083) 4.086 12.689 ( -2.681 -0.000 3.083) 4.086 12.948 ( 4.588 0.000 -1.601) 4.860 12.948 ( -4.588 -0.000 1.601) 4.860 13.163 ( 1.174 0.000 -1.082) 1.597 13.163 ( -1.174 -0.000 1.082) 1.597 ======================= Grid point 171 (72/95) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.306 ( -2.559 2.271 -3.979) 5.248 0.411 ( 1.957 -3.181 1.865) 4.175 0.489 ( 6.431 -1.573 -0.168) 6.622 0.528 ( 9.236 -2.619 -2.103) 9.828 0.590 ( 0.006 -3.091 -2.100) 3.737 0.641 ( 10.309 -9.503 -0.981) 14.055 0.726 ( 11.645 -9.505 0.179) 15.033 0.742 ( 13.201 -11.753 4.001) 18.122 1.069 ( 2.234 0.664 -4.153) 4.762 1.108 ( 4.071 1.681 2.633) 5.131 1.402 ( 1.858 1.673 -1.163) 2.758 1.440 ( 0.984 4.079 0.801) 4.272 1.481 ( -2.600 -4.788 -0.272) 5.456 1.561 ( 0.456 -5.968 1.232) 6.111 1.754 ( 5.424 0.418 -0.609) 5.474 1.872 ( 7.690 -0.922 1.370) 7.865 2.102 ( 1.743 0.839 0.183) 1.943 2.123 ( 3.883 1.599 -0.215) 4.205 2.266 ( -1.409 2.796 -0.297) 3.145 2.311 ( 0.579 2.381 0.190) 2.458 2.381 ( -1.042 -3.978 -0.325) 4.125 2.420 ( 0.744 -2.991 0.626) 3.145 2.669 ( -2.845 -0.140 0.420) 2.879 2.694 ( -1.340 -0.111 -0.476) 1.426 2.939 ( -0.103 1.568 -0.392) 1.619 2.987 ( 0.710 2.615 1.220) 2.972 3.281 ( 2.767 -1.369 -2.107) 3.737 3.305 ( 3.190 -2.276 2.255) 4.521 3.559 ( 0.084 -0.711 -0.708) 1.007 3.560 ( -0.266 -0.660 0.533) 0.889 3.845 ( -4.069 -0.635 -0.098) 4.120 3.911 ( -1.354 -2.001 -1.078) 2.646 3.943 ( -2.242 1.919 1.140) 3.163 4.036 ( 1.966 -2.778 0.110) 3.405 4.176 ( -3.780 -0.848 -0.569) 3.915 4.193 ( -3.281 -1.403 0.654) 3.628 4.383 ( 2.848 2.286 -0.083) 3.653 4.435 ( 4.464 -1.605 0.562) 4.777 4.697 ( -1.164 1.517 -0.137) 1.917 4.756 ( -0.375 -0.360 -0.466) 0.697 4.861 ( 1.246 2.164 -1.150) 2.749 4.892 ( 1.763 0.474 0.115) 1.829 5.327 ( -0.690 0.309 0.044) 0.757 5.376 ( -0.623 0.182 0.448) 0.788 5.385 ( 0.934 -2.046 0.412) 2.287 5.390 ( -0.150 -0.480 -0.053) 0.505 5.912 ( -1.077 0.938 0.253) 1.450 5.926 ( -0.270 -0.313 -0.227) 0.471 8.484 ( 0.823 0.497 -0.228) 0.987 8.519 ( 1.275 0.921 -0.932) 1.828 12.274 ( 1.049 -0.850 0.263) 1.375 12.407 ( 5.229 -2.723 1.005) 5.981 12.585 ( 1.001 -0.555 -1.165) 1.633 12.620 ( 1.680 0.267 1.115) 2.034 12.657 ( -2.057 -2.439 2.392) 3.987 12.721 ( 0.611 -2.065 -2.287) 3.141 12.945 ( 2.085 -1.341 1.427) 2.860 13.078 ( 7.158 -2.595 0.149) 7.616 13.175 ( 1.099 -1.321 1.063) 2.021 13.213 ( 3.418 -1.986 -0.462) 3.980 ======================= Grid point 172 (73/95) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.234 ( -1.402 -3.583 -3.159) 4.978 0.446 ( 0.598 -2.145 -1.435) 2.649 0.557 ( 0.010 0.114 -0.255) 0.280 0.633 ( 3.282 -7.768 -0.073) 8.434 0.718 ( 4.216 -1.105 0.805) 4.432 0.811 ( 12.908 -0.725 0.626) 12.944 0.974 ( 2.832 -2.019 -3.644) 5.037 1.103 ( 9.780 -9.099 1.240) 13.415 1.156 ( 3.839 -0.813 2.363) 4.581 1.242 ( 12.060 -4.268 -1.325) 12.861 1.441 ( 3.317 1.570 -0.399) 3.692 1.475 ( 0.896 -3.743 1.411) 4.099 1.496 ( 1.826 -4.433 -1.056) 4.909 1.613 ( 0.286 -3.362 0.722) 3.451 1.871 ( 8.209 -0.810 0.028) 8.249 1.967 ( 3.405 2.665 -0.872) 4.411 2.147 ( 3.504 0.509 0.687) 3.607 2.169 ( 5.235 2.777 0.169) 5.929 2.243 ( 0.351 -1.359 0.151) 1.412 2.280 ( 0.112 4.951 0.546) 4.982 2.408 ( -0.456 -3.503 -1.004) 3.673 2.445 ( -0.367 -2.186 0.695) 2.323 2.616 ( -3.238 -0.322 0.532) 3.297 2.651 ( -2.773 0.640 -0.503) 2.890 2.945 ( 2.107 0.180 -0.970) 2.326 2.981 ( 2.190 3.063 1.054) 3.910 3.347 ( 3.343 -0.581 -0.901) 3.511 3.402 ( 3.550 -3.002 1.064) 4.769 3.548 ( -3.789 -2.143 -0.029) 4.353 3.582 ( 0.376 -3.876 -0.075) 3.895 3.791 ( -2.456 -1.512 -0.301) 2.900 3.849 ( -4.686 0.679 0.372) 4.750 3.925 ( 0.532 0.041 -0.210) 0.573 4.089 ( -0.411 -3.444 0.394) 3.491 4.129 ( -1.711 -1.063 -0.849) 2.186 4.175 ( -0.212 -2.088 0.550) 2.170 4.404 ( 1.871 1.749 -0.073) 2.562 4.507 ( 2.670 -0.232 0.366) 2.705 4.660 ( -0.947 2.345 0.071) 2.530 4.748 ( -1.038 -0.983 -0.174) 1.440 4.854 ( 0.722 2.375 -0.581) 2.549 4.901 ( 0.166 1.099 0.213) 1.132 5.295 ( -1.849 2.036 -0.036) 2.750 5.357 ( -1.086 0.679 0.140) 1.289 5.379 ( -0.702 0.329 -0.149) 0.790 5.407 ( -1.027 -1.222 0.417) 1.650 5.878 ( -1.407 1.464 0.154) 2.036 5.921 ( -0.666 -0.314 -0.114) 0.745 8.496 ( 1.185 1.524 -0.064) 1.931 8.547 ( 2.734 -0.434 -0.240) 2.779 12.318 ( 2.743 -0.964 -0.084) 2.908 12.514 ( 3.732 -2.647 0.138) 4.577 12.601 ( -1.491 -1.707 0.696) 2.371 12.629 ( 1.589 -0.400 0.307) 1.667 12.689 ( 0.436 -2.029 -0.567) 2.151 12.756 ( 0.827 -4.757 -0.259) 4.835 13.027 ( 5.542 -0.460 0.288) 5.569 13.214 ( 5.609 -2.284 0.519) 6.078 13.219 ( 2.512 -0.836 0.030) 2.648 13.302 ( 4.179 -2.266 -0.058) 4.754 ======================= Grid point 173 (74/95) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.313 ( 4.470 -4.599 -0.757) 6.458 0.479 ( 1.059 -2.307 -1.172) 2.796 0.563 ( 0.563 0.127 -1.102) 1.244 0.735 ( 0.064 -5.622 1.563) 5.835 0.800 ( 4.221 -1.178 0.229) 4.388 0.965 ( 3.399 1.236 -1.306) 3.845 1.046 ( 7.592 0.040 -1.190) 7.685 1.178 ( 1.670 0.137 1.834) 2.484 1.299 ( 2.003 -3.335 -0.412) 3.912 1.339 ( 0.716 0.715 0.634) 1.194 1.483 ( -0.672 -3.329 -0.229) 3.404 1.534 ( 1.042 -2.121 -0.832) 2.505 1.547 ( 0.094 -0.952 0.691) 1.180 1.685 ( 3.346 -4.381 0.075) 5.513 1.953 ( 2.485 5.450 -0.217) 5.994 2.034 ( 7.761 0.191 -0.163) 7.765 2.158 ( 3.448 5.006 0.019) 6.079 2.228 ( -0.111 5.505 0.383) 5.519 2.274 ( -0.365 -4.105 0.998) 4.240 2.294 ( 3.771 -3.140 0.025) 4.907 2.439 ( 2.192 -0.910 -0.721) 2.480 2.480 ( 2.349 -0.301 -0.506) 2.421 2.575 ( -1.888 -0.640 0.990) 2.226 2.617 ( -0.664 -3.625 -0.448) 3.713 2.996 ( 4.465 0.890 -1.853) 4.915 3.018 ( 3.941 1.072 1.666) 4.411 3.369 ( -3.949 -1.342 0.719) 4.232 3.410 ( -4.863 -0.406 -0.637) 4.922 3.517 ( -0.616 -3.539 -0.287) 3.604 3.612 ( -2.146 -3.228 0.412) 3.899 3.798 ( 2.793 -0.513 -0.142) 2.843 3.833 ( 1.670 -2.373 0.230) 2.911 3.940 ( 1.348 0.342 -0.116) 1.396 4.094 ( -1.422 -2.714 0.159) 3.069 4.142 ( 1.273 -1.315 -0.503) 1.898 4.219 ( 2.325 -1.483 0.322) 2.776 4.409 ( 0.281 1.324 -0.044) 1.355 4.540 ( 1.373 0.136 0.112) 1.385 4.635 ( -0.065 -0.018 0.022) 0.071 4.740 ( -1.039 -1.283 -0.116) 1.655 4.833 ( -0.534 2.117 -0.459) 2.231 4.880 ( -1.033 1.628 0.465) 1.984 5.230 ( -2.620 2.564 -0.031) 3.666 5.324 ( -1.567 1.239 -0.017) 1.998 5.361 ( -0.724 0.580 -0.044) 0.929 5.387 ( -1.706 -0.028 0.137) 1.712 5.842 ( -1.097 1.303 0.107) 1.707 5.909 ( -0.804 -0.049 -0.069) 0.809 8.498 ( 0.762 1.356 -0.053) 1.556 8.604 ( 2.727 -0.758 0.010) 2.831 12.379 ( 2.859 -1.360 -0.103) 3.167 12.558 ( -0.102 0.732 1.934) 2.071 12.614 ( 0.445 -2.638 -2.277) 3.513 12.648 ( 0.012 -0.554 -0.057) 0.557 12.727 ( 1.331 -3.611 0.673) 3.907 12.825 ( 1.414 -4.049 -0.145) 4.291 13.128 ( 5.632 0.112 -0.399) 5.647 13.257 ( 1.149 -0.387 1.039) 1.597 13.326 ( 4.915 -1.108 -0.640) 5.079 13.389 ( 3.372 -1.702 0.134) 3.779 ======================= Grid point 174 (75/95) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.425 ( 3.573 -2.268 0.333) 4.245 0.512 ( 0.593 -1.153 -0.397) 1.356 0.551 ( -1.186 0.502 -1.052) 1.663 0.764 ( -0.073 -0.786 0.873) 1.177 0.875 ( 1.921 -2.109 0.085) 2.854 0.966 ( -0.142 1.314 -0.583) 1.445 1.145 ( 3.001 1.407 -0.162) 3.318 1.218 ( 2.006 -1.964 0.714) 2.897 1.274 ( -0.969 2.433 -0.461) 2.660 1.364 ( -0.481 -2.044 0.187) 2.108 1.484 ( -1.578 0.604 -0.342) 1.724 1.507 ( -0.879 -0.982 0.324) 1.357 1.580 ( 0.315 -1.104 -0.068) 1.150 1.746 ( -0.049 -1.899 -0.009) 1.900 1.976 ( 3.828 2.309 -0.184) 4.474 2.106 ( 2.026 1.230 0.219) 2.381 2.168 ( -0.148 2.493 0.178) 2.504 2.192 ( 2.011 2.133 -0.161) 2.936 2.287 ( -1.055 -1.759 0.287) 2.071 2.355 ( 1.069 -1.262 0.493) 1.726 2.451 ( -1.151 -0.787 -0.921) 1.671 2.478 ( -0.386 2.000 -0.033) 2.037 2.605 ( 1.976 -2.186 0.303) 2.962 2.701 ( 3.148 -2.813 -0.008) 4.222 3.055 ( 3.496 1.793 -0.565) 3.969 3.080 ( 2.843 0.198 0.113) 2.852 3.246 ( -6.950 -0.942 0.856) 7.066 3.363 ( -2.684 -1.620 -0.385) 3.158 3.536 ( 0.070 -0.894 -0.453) 1.005 3.605 ( -0.219 -0.213 0.401) 0.504 3.865 ( 1.895 -1.275 -0.132) 2.287 3.885 ( 1.243 -1.520 0.173) 1.972 3.957 ( 1.108 0.719 -0.016) 1.321 4.101 ( -0.429 -1.423 0.039) 1.487 4.173 ( 1.062 -0.160 -0.197) 1.092 4.266 ( 1.348 -0.821 0.153) 1.585 4.392 ( -0.420 0.992 -0.025) 1.078 4.556 ( 0.502 -0.036 0.016) 0.504 4.655 ( 0.717 -1.440 0.042) 1.609 4.743 ( -0.094 -1.498 -0.105) 1.505 4.794 ( -1.153 1.950 -0.273) 2.282 4.845 ( -0.977 1.226 0.339) 1.604 5.173 ( -1.278 1.229 -0.024) 1.773 5.290 ( -0.869 0.700 -0.014) 1.116 5.349 ( 0.075 0.419 -0.030) 0.426 5.360 ( -1.180 0.043 0.046) 1.181 5.819 ( -0.413 0.521 0.043) 0.667 5.898 ( -0.376 0.047 -0.026) 0.380 8.497 ( 0.280 0.520 -0.018) 0.591 8.644 ( 1.098 -0.338 0.016) 1.149 12.432 ( 1.544 -0.875 0.003) 1.774 12.545 ( -0.639 0.499 0.532) 0.970 12.611 ( -0.666 -0.105 -0.609) 0.909 12.669 ( 0.600 -0.890 -0.176) 1.088 12.781 ( 0.963 -1.790 0.437) 2.079 12.870 ( 0.468 -1.584 -0.198) 1.664 13.202 ( 2.772 0.151 -0.440) 2.811 13.269 ( -0.112 0.050 0.623) 0.635 13.392 ( 1.900 -0.371 -0.243) 1.951 13.442 ( 1.268 -0.625 0.085) 1.416 ======================= Grid point 180 (76/95) ======================= q-point: ( 0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.229 ( -3.876 -0.000 -2.378) 4.548 0.430 ( -0.251 -0.000 -2.144) 2.159 0.545 ( 6.015 0.000 0.739) 6.060 0.591 ( 1.060 0.000 -2.942) 3.127 0.722 ( 9.347 0.000 1.416) 9.454 0.772 ( 10.251 0.000 1.207) 10.322 0.923 ( 9.493 0.000 -2.742) 9.881 0.987 ( 17.104 0.000 1.223) 17.148 1.176 ( 11.977 0.000 -4.784) 12.897 1.195 ( 2.700 0.000 4.209) 5.000 1.435 ( 2.085 0.000 1.508) 2.573 1.441 ( 2.572 0.000 -1.307) 2.885 1.519 ( 1.087 0.000 2.894) 3.091 1.527 ( 2.488 0.000 -1.890) 3.125 1.869 ( 7.326 0.000 -1.169) 7.418 1.983 ( 5.425 0.000 0.861) 5.493 2.138 ( 1.330 0.000 1.114) 1.735 2.197 ( 2.878 0.000 -0.748) 2.974 2.292 ( -0.735 -0.000 0.882) 1.148 2.304 ( 2.821 0.000 -1.280) 3.098 2.361 ( -0.368 -0.000 1.157) 1.214 2.416 ( 0.926 0.000 -0.018) 0.926 2.620 ( -2.747 -0.000 0.555) 2.803 2.659 ( -2.797 -0.000 -0.503) 2.842 2.955 ( 1.447 0.000 -1.103) 1.820 3.008 ( 0.632 0.000 1.082) 1.253 3.340 ( 4.790 0.000 -2.047) 5.209 3.370 ( 4.829 0.000 2.457) 5.418 3.531 ( -3.436 -0.000 -0.122) 3.438 3.535 ( -2.543 -0.000 -0.292) 2.560 3.775 ( -2.759 -0.000 0.160) 2.764 3.840 ( -3.309 -0.000 -0.503) 3.347 3.958 ( 0.474 0.000 0.045) 0.476 4.028 ( -0.478 -0.000 0.535) 0.717 4.126 ( -0.528 -0.000 -1.647) 1.730 4.144 ( -1.320 -0.000 1.392) 1.918 4.458 ( 2.545 0.000 -0.826) 2.676 4.475 ( 2.037 0.000 1.329) 2.432 4.695 ( -0.780 -0.000 0.381) 0.868 4.729 ( -1.844 -0.000 -0.312) 1.870 4.885 ( 0.528 0.000 -2.020) 2.087 4.906 ( -0.356 -0.000 1.251) 1.301 5.329 ( -0.452 -0.000 -0.685) 0.820 5.361 ( -1.350 -0.000 0.715) 1.528 5.379 ( -0.309 -0.000 1.083) 1.126 5.380 ( -0.808 -0.000 -0.594) 1.003 5.901 ( -1.274 -0.000 0.737) 1.472 5.910 ( -0.830 -0.000 -0.689) 1.079 8.519 ( 2.449 0.000 0.422) 2.485 8.537 ( 0.946 0.000 -0.913) 1.315 12.320 ( 3.576 0.000 -0.199) 3.581 12.466 ( 3.744 0.000 -0.171) 3.748 12.587 ( -1.996 -0.000 2.585) 3.266 12.624 ( 1.751 0.000 0.582) 1.845 12.674 ( 1.748 0.000 -1.016) 2.022 12.704 ( 0.550 0.000 -1.252) 1.367 13.026 ( 6.429 0.000 0.085) 6.429 13.183 ( 5.590 0.000 1.855) 5.890 13.215 ( 4.123 0.000 -0.858) 4.212 13.277 ( 4.833 0.000 -0.010) 4.833 ======================= Grid point 181 (77/95) ======================= q-point: ( 0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.258 ( 5.727 -1.288 0.066) 5.871 0.443 ( 1.535 -1.290 -2.253) 3.016 0.584 ( 0.429 1.139 -1.076) 1.625 0.646 ( 4.366 -1.938 1.820) 5.111 0.847 ( 7.928 5.502 0.062) 9.650 0.966 ( 5.709 -2.326 -0.748) 6.210 1.025 ( 5.916 -3.234 -2.689) 7.259 1.185 ( 4.618 -2.481 0.401) 5.257 1.212 ( 0.795 2.129 3.547) 4.213 1.349 ( 4.484 -2.613 -1.732) 5.471 1.478 ( 2.606 2.219 0.130) 3.425 1.517 ( 2.195 0.085 -0.652) 2.291 1.527 ( 2.764 0.439 0.732) 2.892 1.605 ( 2.561 -3.985 0.054) 4.737 2.007 ( 7.295 0.097 0.266) 7.301 2.048 ( 3.176 1.848 -1.120) 3.842 2.172 ( 1.349 -3.699 2.059) 4.444 2.206 ( -1.655 -0.955 -0.802) 2.072 2.280 ( 2.054 2.657 -0.333) 3.374 2.341 ( 0.052 3.556 1.128) 3.731 2.406 ( 5.517 -2.862 -1.208) 6.332 2.450 ( 2.459 -1.307 0.255) 2.797 2.585 ( -0.187 1.472 0.862) 1.716 2.608 ( -2.309 0.649 -0.371) 2.427 2.995 ( 4.231 0.156 -1.432) 4.469 3.036 ( 2.217 -0.172 1.106) 2.483 3.359 ( -4.718 0.202 0.364) 4.737 3.423 ( -7.349 0.428 -0.745) 7.400 3.465 ( 5.146 -0.031 0.590) 5.180 3.533 ( 1.506 -4.263 -0.013) 4.521 3.773 ( 1.545 -1.173 0.370) 1.974 3.818 ( 0.757 -0.341 -0.321) 0.891 3.956 ( 1.477 2.273 -0.366) 2.735 4.046 ( 0.131 -3.437 0.373) 3.459 4.124 ( 1.196 1.346 -0.321) 1.829 4.176 ( 2.293 -3.057 0.189) 3.826 4.458 ( 0.988 3.449 -0.022) 3.588 4.521 ( 0.649 -2.293 0.191) 2.391 4.661 ( -1.491 2.033 0.104) 2.523 4.708 ( -1.788 -1.887 -0.100) 2.602 4.870 ( -0.772 1.460 -0.942) 1.902 4.894 ( -1.409 -0.111 0.767) 1.608 5.288 ( -2.026 3.033 -0.195) 3.653 5.342 ( -1.575 -0.427 0.182) 1.642 5.357 ( -1.608 -0.167 -0.224) 1.632 5.374 ( -1.373 -0.913 0.362) 1.688 5.870 ( -1.264 1.416 0.315) 1.924 5.900 ( -0.983 -0.876 -0.255) 1.341 8.534 ( 1.055 2.161 -0.186) 2.411 8.577 ( 1.979 -1.885 0.102) 2.735 12.378 ( 3.650 0.947 0.123) 3.773 12.528 ( 0.144 -3.927 -1.896) 4.363 12.576 ( 1.388 0.660 3.634) 3.946 12.649 ( -1.043 0.453 -1.981) 2.284 12.683 ( 2.709 -1.448 0.342) 3.091 12.758 ( 2.850 -2.115 -0.187) 3.554 13.138 ( 6.370 0.517 -0.433) 6.406 13.254 ( 2.571 -0.092 1.484) 2.970 13.311 ( 5.903 -0.361 -1.175) 6.029 13.363 ( 4.318 -0.772 0.391) 4.404 ======================= Grid point 182 (78/95) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.386 ( 6.140 -1.536 1.497) 6.504 0.486 ( 2.224 -1.339 -1.137) 2.833 0.571 ( -0.536 1.010 -0.948) 1.486 0.736 ( 3.229 -1.245 0.904) 3.577 0.903 ( 5.029 4.964 -0.087) 7.066 0.994 ( -0.336 1.169 -0.807) 1.460 1.151 ( 1.315 -1.356 -0.762) 2.037 1.209 ( 3.697 0.075 1.302) 3.920 1.266 ( 0.394 -4.384 0.585) 4.441 1.385 ( 0.599 5.067 -0.546) 5.132 1.474 ( 1.308 0.365 -0.605) 1.486 1.524 ( -0.684 1.141 -0.039) 1.331 1.557 ( 1.394 -0.747 0.313) 1.612 1.676 ( 0.399 -4.650 0.026) 4.668 2.010 ( -1.668 1.310 -0.036) 2.121 2.104 ( -1.252 -1.274 0.244) 1.803 2.184 ( -0.455 -0.275 -0.419) 0.677 2.229 ( -2.826 -0.666 0.421) 2.934 2.266 ( 1.747 1.036 -0.851) 2.202 2.334 ( 0.826 -0.010 1.302) 1.542 2.464 ( 1.750 1.631 -0.991) 2.589 2.549 ( 3.795 1.734 -0.339) 4.186 2.575 ( 1.974 -0.651 -0.258) 2.094 2.637 ( 5.722 -1.203 1.212) 5.972 3.070 ( 0.204 -0.727 0.672) 1.011 3.078 ( 3.268 0.233 -1.103) 3.457 3.236 ( -5.741 -0.441 1.075) 5.858 3.338 ( -1.071 -0.635 -0.687) 1.422 3.540 ( 4.045 1.335 -0.339) 4.273 3.602 ( 2.350 -0.548 0.349) 2.439 3.828 ( 2.044 -2.176 0.246) 2.996 3.861 ( 2.819 -0.905 -0.148) 2.964 3.963 ( 0.399 0.453 -0.227) 0.645 4.085 ( 1.425 -1.207 0.123) 1.872 4.147 ( 1.676 -0.701 -0.188) 1.826 4.247 ( 2.365 -1.853 0.138) 3.008 4.434 ( -0.093 2.981 0.033) 2.983 4.542 ( -0.198 -1.493 0.035) 1.506 4.634 ( 0.065 -0.025 -0.023) 0.074 4.703 ( -0.838 -2.276 -0.084) 2.427 4.833 ( -1.391 1.690 -0.516) 2.248 4.865 ( -1.844 0.504 0.581) 1.998 5.219 ( -2.009 3.123 -0.034) 3.714 5.309 ( -1.559 1.016 -0.101) 1.864 5.337 ( -1.644 -1.539 0.031) 2.252 5.355 ( -1.425 -0.520 0.091) 1.520 5.838 ( -0.905 1.267 0.178) 1.567 5.891 ( -0.789 -0.736 -0.126) 1.086 8.524 ( 0.299 2.071 -0.130) 2.096 8.621 ( 0.772 -1.875 0.135) 2.032 12.426 ( 2.591 0.576 0.404) 2.684 12.539 ( -1.287 -2.118 1.713) 3.013 12.603 ( 0.109 0.061 -3.544) 3.546 12.639 ( 0.915 -1.221 0.416) 1.582 12.758 ( 3.874 -0.692 1.333) 4.155 12.824 ( 2.218 -2.541 -0.363) 3.392 13.217 ( 3.384 1.058 -0.201) 3.551 13.284 ( 1.193 1.112 0.272) 1.654 13.391 ( 3.131 0.104 -0.312) 3.148 13.431 ( 2.495 -0.474 0.302) 2.557 ======================= Grid point 183 (79/95) ======================= q-point: ( 0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.464 ( 1.094 1.523 0.934) 2.095 0.527 ( 1.000 0.395 -0.061) 1.077 0.557 ( 1.827 0.654 0.601) 2.031 0.773 ( 0.933 0.456 -0.814) 1.320 0.936 ( 3.393 3.870 -0.088) 5.148 0.960 ( -1.413 0.701 0.392) 1.626 1.119 ( -4.205 -1.155 0.339) 4.374 1.277 ( 0.810 2.735 0.049) 2.853 1.303 ( 1.639 2.515 -1.158) 3.218 1.329 ( 0.364 -1.140 0.402) 1.263 1.505 ( 1.490 1.881 0.081) 2.400 1.522 ( 3.341 0.069 -0.237) 3.350 1.591 ( 1.569 0.040 0.377) 1.614 1.722 ( 0.337 -4.450 0.221) 4.469 1.941 ( -6.698 -0.757 -0.151) 6.742 2.059 ( -5.094 -2.784 -0.215) 5.809 2.138 ( -3.556 -0.151 0.252) 3.568 2.168 ( -3.825 -0.048 -0.578) 3.869 2.287 ( -0.824 -1.939 0.037) 2.108 2.353 ( 0.893 -0.668 -0.260) 1.145 2.481 ( 2.900 2.607 -0.294) 3.911 2.537 ( 2.334 6.114 0.965) 6.615 2.644 ( 1.591 -0.101 -0.958) 1.860 2.716 ( 0.664 -0.051 0.823) 1.058 3.019 ( -5.321 -1.513 0.562) 5.561 3.061 ( -3.796 -1.651 -0.003) 4.139 3.276 ( 8.203 1.797 -0.760) 8.432 3.391 ( 5.774 1.064 0.245) 5.877 3.574 ( 2.504 2.914 0.278) 3.852 3.623 ( 1.218 1.680 -0.302) 2.097 3.875 ( 0.862 -0.875 0.395) 1.290 3.893 ( -0.126 -0.299 -0.336) 0.467 3.948 ( -1.736 -0.092 -0.078) 1.740 4.116 ( 0.591 -0.866 0.503) 1.163 4.170 ( 0.780 0.762 -0.895) 1.411 4.279 ( 0.207 0.183 0.393) 0.480 4.404 ( -0.113 2.033 0.029) 2.036 4.545 ( -1.063 -1.180 -0.018) 1.588 4.659 ( 1.138 -1.103 -0.033) 1.585 4.728 ( 0.709 -2.484 0.033) 2.584 4.794 ( -0.851 1.369 -0.257) 1.632 4.834 ( -1.071 0.158 0.263) 1.114 5.175 ( -0.019 1.406 0.005) 1.406 5.285 ( -0.205 0.148 -0.057) 0.260 5.326 ( -1.378 -1.776 0.050) 2.249 5.350 ( 0.081 -0.969 -0.007) 0.973 5.820 ( -0.154 0.525 0.069) 0.552 5.890 ( -0.147 -0.784 -0.043) 0.799 8.505 ( -0.450 1.293 -0.065) 1.370 8.634 ( -1.288 -1.332 0.082) 1.854 12.449 ( 0.363 0.831 0.575) 1.073 12.539 ( -0.183 -0.333 0.682) 0.781 12.603 ( 0.667 -0.740 -1.614) 1.897 12.661 ( -0.156 -1.054 -0.295) 1.105 12.816 ( 2.659 1.328 0.152) 2.976 12.878 ( 1.859 -0.660 0.494) 2.034 13.217 ( -1.906 1.630 0.691) 2.602 13.286 ( 0.877 1.503 -1.109) 2.063 13.407 ( -0.689 1.019 0.373) 1.286 13.455 ( 0.185 0.607 0.028) 0.636 ======================= Grid point 184 (80/95) ======================= q-point: (-0.44 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.420 ( -0.978 5.320 0.499) 5.432 0.519 ( -0.179 1.654 0.035) 1.664 0.588 ( 1.420 2.136 2.395) 3.509 0.773 ( 0.093 0.585 -1.921) 2.010 0.917 ( 0.712 5.642 -0.279) 5.694 0.945 ( -1.767 0.981 1.330) 2.420 1.043 ( -5.176 -0.443 0.370) 5.208 1.219 ( -2.723 3.902 -0.964) 4.855 1.290 ( 1.630 1.821 -0.352) 2.470 1.371 ( 0.164 -1.183 -0.056) 1.196 1.541 ( 3.201 1.484 0.093) 3.530 1.566 ( 3.327 3.025 -0.182) 4.500 1.598 ( 0.280 2.544 0.313) 2.578 1.768 ( -0.507 2.788 0.235) 2.844 1.824 ( -5.626 -6.386 0.520) 8.526 1.995 ( -6.180 -3.564 -0.562) 7.156 2.075 ( -5.232 -2.495 -0.047) 5.797 2.132 ( -1.579 -3.534 -0.628) 3.921 2.273 ( -3.058 -2.330 0.459) 3.872 2.384 ( 2.899 1.972 -1.183) 3.700 2.469 ( -3.569 3.401 -0.013) 4.930 2.511 ( 1.502 3.712 1.405) 4.243 2.630 ( 0.391 3.956 -1.027) 4.106 2.689 ( -0.379 2.502 0.776) 2.647 2.954 ( -4.863 -2.072 0.674) 5.329 3.007 ( -3.860 -1.080 -0.491) 4.038 3.409 ( 7.020 2.675 -0.745) 7.550 3.446 ( 2.977 3.247 0.512) 4.435 3.584 ( 2.020 3.292 0.506) 3.895 3.648 ( 4.847 0.771 -0.532) 4.937 3.821 ( -4.671 1.802 0.072) 5.007 3.886 ( -1.201 1.964 -0.061) 2.303 3.928 ( -0.403 -0.418 0.099) 0.589 4.120 ( -1.715 -2.597 0.487) 3.150 4.168 ( 2.543 4.026 -1.017) 4.869 4.256 ( -1.262 1.981 0.434) 2.388 4.398 ( 0.510 0.244 0.063) 0.569 4.526 ( -2.347 -1.091 -0.045) 2.588 4.658 ( -0.808 1.491 -0.085) 1.697 4.753 ( 0.187 -0.343 0.366) 0.535 4.792 ( 0.243 -1.676 0.169) 1.702 4.839 ( 0.318 -2.068 -0.453) 2.140 5.195 ( 2.358 -0.913 0.027) 2.528 5.301 ( 1.434 -0.997 -0.035) 1.747 5.332 ( -0.189 -2.238 0.036) 2.246 5.372 ( 1.009 -1.408 -0.019) 1.733 5.825 ( 0.784 -0.394 -0.022) 0.878 5.901 ( 0.492 -0.846 0.022) 0.979 8.485 ( -0.960 0.143 -0.022) 0.971 8.604 ( -3.156 -0.680 0.041) 3.228 12.423 ( -1.248 2.653 0.345) 2.952 12.549 ( 0.525 -0.291 -0.364) 0.702 12.621 ( 0.288 -0.770 0.063) 0.824 12.654 ( -1.167 -0.400 -0.317) 1.274 12.821 ( 1.439 4.804 -0.182) 5.018 12.893 ( 0.760 2.547 0.397) 2.687 13.141 ( -4.743 1.546 0.746) 5.044 13.276 ( 0.107 1.479 -1.613) 2.191 13.353 ( -3.971 1.714 0.892) 4.416 13.426 ( -1.930 1.981 -0.031) 2.766 ======================= Grid point 185 (81/95) ======================= q-point: (-0.33 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.365 ( 2.303 7.059 0.691) 7.458 0.495 ( -0.233 2.397 0.939) 2.585 0.585 ( 1.228 3.101 2.080) 3.931 0.744 ( -2.170 1.331 -1.561) 2.986 0.823 ( -5.884 6.940 0.811) 9.134 0.855 ( -2.578 6.623 -1.372) 7.238 1.002 ( 0.083 0.928 2.713) 2.868 1.127 ( -3.464 1.786 -2.647) 4.711 1.281 ( -2.452 2.823 0.341) 3.755 1.332 ( -3.242 4.707 -0.407) 5.730 1.495 ( -4.122 5.827 0.456) 7.152 1.559 ( -1.176 4.689 -0.163) 4.837 1.592 ( 2.774 4.560 -0.298) 5.346 1.664 ( -2.424 2.723 0.157) 3.649 1.882 ( 0.206 -5.325 0.973) 5.417 1.891 ( -7.535 0.336 -0.424) 7.554 2.041 ( -2.823 -4.995 -0.108) 5.739 2.157 ( -1.201 -4.957 -0.650) 5.142 2.240 ( -3.362 0.577 0.328) 3.427 2.289 ( -4.429 4.992 -0.456) 6.689 2.443 ( 1.627 1.102 -0.361) 1.998 2.493 ( 0.938 2.492 0.604) 2.730 2.633 ( 3.142 1.592 -0.303) 3.535 2.677 ( 1.752 3.124 0.476) 3.613 2.904 ( -3.608 -3.263 -0.039) 4.865 2.953 ( -2.838 -0.143 -0.122) 2.845 3.369 ( -3.375 2.034 0.163) 3.944 3.469 ( -1.276 3.623 -0.123) 3.843 3.601 ( 2.677 2.887 -0.103) 3.939 3.668 ( -2.446 4.460 -0.100) 5.087 3.802 ( 4.480 -1.155 0.330) 4.638 3.845 ( 1.335 1.855 -0.344) 2.311 3.942 ( 1.918 0.622 0.174) 2.024 4.116 ( -1.511 -1.213 -0.009) 1.938 4.177 ( 3.376 3.973 -0.169) 5.216 4.224 ( 1.159 3.150 0.088) 3.357 4.400 ( -0.386 0.492 0.089) 0.631 4.488 ( -3.500 -1.538 -0.161) 3.826 4.633 ( -0.344 0.038 0.105) 0.362 4.756 ( 0.058 -0.140 0.232) 0.277 4.806 ( -1.302 -2.509 0.087) 2.828 4.863 ( -0.478 -2.559 -0.273) 2.618 5.258 ( 2.904 -1.754 -0.014) 3.392 5.340 ( 1.465 -1.109 0.039) 1.838 5.358 ( 0.559 -1.905 -0.087) 1.987 5.405 ( 1.076 -1.267 -0.053) 1.663 5.852 ( 1.516 -1.035 -0.072) 1.837 5.918 ( 0.453 -0.624 0.057) 0.773 8.471 ( -1.084 -0.886 0.051) 1.401 8.548 ( -3.733 -0.405 0.038) 3.755 12.369 ( -0.979 3.887 0.157) 4.012 12.542 ( -1.317 0.823 -0.762) 1.730 12.620 ( -0.969 -0.357 0.434) 1.120 12.633 ( -1.533 -0.017 0.002) 1.533 12.779 ( 0.689 6.602 0.468) 6.654 12.862 ( 0.295 5.360 -0.322) 5.378 13.048 ( -3.919 1.477 -0.225) 4.194 13.246 ( -3.634 2.348 2.019) 4.775 13.259 ( -2.196 1.822 -2.249) 3.633 13.356 ( -3.039 3.114 0.165) 4.355 ======================= Grid point 186 (82/95) ======================= q-point: (-0.22 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.381 ( 6.048 5.112 0.548) 7.937 0.472 ( -0.192 2.236 1.347) 2.617 0.580 ( -0.196 7.085 0.501) 7.106 0.638 ( -4.190 4.644 2.756) 6.835 0.653 ( -3.553 6.585 -0.781) 7.523 0.750 ( -0.851 7.235 -3.014) 7.884 1.003 ( 0.323 7.426 1.735) 7.633 1.053 ( -3.555 5.835 -1.991) 7.117 1.101 ( -7.852 9.735 -0.024) 12.507 1.125 ( -7.311 11.511 0.806) 13.660 1.399 ( -2.156 2.384 0.908) 3.340 1.437 ( -4.378 3.807 -0.990) 5.886 1.589 ( 2.890 5.500 -0.084) 6.213 1.640 ( -0.038 2.189 -0.152) 2.194 1.772 ( -3.355 2.130 -0.579) 4.016 1.880 ( -5.060 -0.566 0.696) 5.139 2.057 ( -1.569 -4.489 0.596) 4.793 2.091 ( -3.789 1.044 -0.441) 3.954 2.222 ( 0.509 -3.122 -1.645) 3.566 2.254 ( -1.045 -1.208 1.346) 2.089 2.460 ( 1.813 2.305 0.056) 2.933 2.488 ( 0.589 3.533 -0.164) 3.585 2.675 ( 3.013 0.629 -0.724) 3.162 2.693 ( 1.893 0.454 0.724) 2.077 2.900 ( -1.348 -3.993 -0.029) 4.214 2.918 ( -1.666 -1.277 -0.340) 2.126 3.308 ( -1.784 1.021 0.575) 2.135 3.369 ( -4.230 3.699 -0.600) 5.651 3.586 ( -0.728 1.806 0.268) 1.966 3.590 ( -1.471 2.573 -0.328) 2.982 3.867 ( 3.418 1.277 0.816) 3.739 3.899 ( 2.109 -1.153 -0.776) 2.526 3.976 ( 3.771 2.791 0.189) 4.695 4.082 ( -2.430 1.166 -0.106) 2.698 4.214 ( 4.344 2.626 0.410) 5.093 4.238 ( 3.442 3.315 -0.480) 4.803 4.372 ( -1.443 1.129 -0.012) 1.832 4.434 ( -4.440 -1.282 -0.308) 4.632 4.657 ( 1.655 -2.136 0.447) 2.739 4.755 ( -1.324 -0.799 0.233) 1.564 4.809 ( -0.594 -2.706 -0.260) 2.782 4.865 ( -1.978 -2.152 0.184) 2.929 5.319 ( 2.475 -1.090 -0.046) 2.705 5.366 ( 0.284 -1.034 0.110) 1.078 5.382 ( 0.889 -0.485 -0.290) 1.053 5.421 ( -0.275 0.166 -0.140) 0.350 5.891 ( 1.589 -1.103 -0.102) 1.937 5.926 ( -0.205 -0.396 0.083) 0.454 8.466 ( -0.724 -1.195 0.328) 1.435 8.498 ( -2.464 -0.965 0.005) 2.647 12.326 ( 1.045 4.336 -0.123) 4.462 12.469 ( -4.812 3.203 -0.090) 5.781 12.596 ( -1.231 0.232 0.324) 1.294 12.614 ( -1.241 -0.560 -0.274) 1.389 12.736 ( 1.557 5.550 -0.389) 5.777 12.800 ( -1.120 5.632 0.702) 5.785 12.994 ( 0.647 2.939 -1.715) 3.463 13.132 ( -5.951 2.595 1.543) 6.673 13.224 ( 0.217 3.136 -1.379) 3.433 13.272 ( -2.707 3.606 0.327) 4.521 ======================= Grid point 187 (83/95) ======================= q-point: (-0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.418 ( -0.522 7.941 -1.996) 8.204 0.418 ( 0.522 7.941 1.996) 8.204 0.484 ( 1.897 8.098 -1.715) 8.492 0.484 ( -1.897 8.098 1.715) 8.492 0.655 ( -0.561 2.666 -9.094) 9.493 0.655 ( 0.561 2.666 9.094) 9.493 0.763 ( -1.806 22.336 -2.942) 22.601 0.763 ( 1.806 22.336 2.942) 22.601 1.064 ( -0.071 0.321 -1.778) 1.808 1.064 ( 0.071 0.321 1.778) 1.808 1.378 ( -0.891 -1.404 -2.019) 2.616 1.378 ( 0.891 -1.404 2.019) 2.616 1.585 ( -0.967 4.817 -1.955) 5.287 1.585 ( 0.967 4.817 1.955) 5.287 1.760 ( -2.935 2.431 -0.564) 3.853 1.760 ( 2.935 2.431 0.564) 3.853 2.072 ( -0.075 -1.900 -0.757) 2.046 2.072 ( 0.075 -1.900 0.757) 2.046 2.263 ( 0.498 -3.109 -1.105) 3.336 2.263 ( -0.498 -3.109 1.105) 3.336 2.442 ( -0.639 4.592 -0.835) 4.711 2.442 ( 0.639 4.592 0.835) 4.711 2.709 ( 0.780 0.376 -1.460) 1.698 2.709 ( -0.780 0.376 1.460) 1.698 2.927 ( -0.980 -3.664 -0.638) 3.846 2.927 ( 0.980 -3.664 0.638) 3.846 3.289 ( -0.537 2.377 -1.972) 3.135 3.289 ( 0.537 2.377 1.972) 3.135 3.565 ( 0.141 0.926 -1.078) 1.429 3.565 ( -0.141 0.926 1.078) 1.429 3.903 ( -1.055 0.413 -1.188) 1.642 3.903 ( 1.055 0.413 1.188) 1.642 4.013 ( -2.560 2.346 -0.701) 3.542 4.013 ( 2.560 2.346 0.701) 3.542 4.240 ( -0.637 2.433 -0.463) 2.557 4.240 ( 0.637 2.433 0.463) 2.557 4.369 ( -1.595 0.088 -0.860) 1.814 4.369 ( 1.595 0.088 0.860) 1.814 4.723 ( -2.756 -1.601 -0.469) 3.221 4.723 ( 2.756 -1.601 0.469) 3.221 4.845 ( 0.218 -1.702 -2.508) 3.039 4.845 ( -0.218 -1.702 2.508) 3.039 5.363 ( -1.261 0.093 -0.740) 1.465 5.363 ( 1.261 0.093 0.740) 1.465 5.394 ( -0.045 1.141 -1.005) 1.521 5.394 ( 0.045 1.141 1.005) 1.521 5.921 ( -0.138 -0.561 -0.514) 0.773 5.921 ( 0.138 -0.561 0.514) 0.773 8.481 ( -1.128 -1.429 -0.264) 1.840 8.481 ( 1.128 -1.429 0.264) 1.840 12.337 ( -4.225 3.838 -0.447) 5.726 12.337 ( 4.225 3.838 0.447) 5.726 12.593 ( -0.937 0.283 -0.604) 1.150 12.593 ( 0.937 0.283 0.604) 1.150 12.725 ( 2.012 3.757 -2.008) 4.711 12.725 ( -2.012 3.757 2.008) 4.711 13.004 ( 0.401 4.033 -4.132) 5.788 13.004 ( -0.401 4.033 4.132) 5.788 13.202 ( 0.803 3.385 -0.528) 3.518 13.202 ( -0.803 3.385 0.528) 3.518 ======================= Grid point 191 (84/95) ======================= q-point: ( 0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.370 ( 6.963 0.000 2.413) 7.369 0.470 ( 2.848 0.000 -1.643) 3.288 0.580 ( -0.504 -0.000 -0.913) 1.043 0.727 ( 4.423 0.000 0.828) 4.500 0.996 ( 1.235 0.000 -0.415) 1.303 1.040 ( 5.818 0.000 -1.491) 6.006 1.056 ( 2.859 0.000 -0.187) 2.866 1.188 ( -2.475 -0.000 0.440) 2.514 1.262 ( 3.350 0.000 3.375) 4.756 1.402 ( 4.563 0.000 -2.545) 5.225 1.529 ( 0.884 0.000 0.585) 1.060 1.544 ( 1.893 0.000 -0.666) 2.006 1.564 ( -0.671 -0.000 -0.457) 0.812 1.586 ( -1.312 -0.000 0.442) 1.385 2.028 ( -4.577 -0.000 0.068) 4.578 2.081 ( -1.309 -0.000 0.751) 1.509 2.195 ( 1.463 0.000 -1.907) 2.404 2.202 ( 2.092 0.000 1.472) 2.559 2.276 ( -1.719 -0.000 -2.047) 2.673 2.340 ( -2.871 -0.000 2.323) 3.693 2.498 ( 3.730 0.000 0.374) 3.749 2.499 ( 5.825 0.000 -2.124) 6.200 2.616 ( 3.148 0.000 0.439) 3.178 2.637 ( 3.760 0.000 1.222) 3.953 3.059 ( -0.404 -0.000 0.459) 0.611 3.078 ( 3.463 0.000 -0.940) 3.588 3.229 ( -5.597 -0.000 0.999) 5.685 3.334 ( -0.924 -0.000 -0.658) 1.134 3.575 ( 4.859 0.000 -0.736) 4.915 3.580 ( 5.847 0.000 0.796) 5.901 3.805 ( 2.254 0.000 0.705) 2.362 3.842 ( 1.837 0.000 -0.715) 1.971 4.004 ( 1.426 0.000 -0.986) 1.734 4.027 ( 0.296 0.000 0.613) 0.681 4.182 ( 2.358 0.000 2.477) 3.420 4.196 ( 3.586 0.000 -2.201) 4.207 4.494 ( -0.708 -0.000 0.458) 0.843 4.499 ( 0.195 0.000 -0.367) 0.415 4.651 ( -0.986 -0.000 0.022) 0.986 4.665 ( -1.065 -0.000 -0.134) 1.074 4.854 ( -1.580 -0.000 -1.234) 2.005 4.865 ( -1.855 -0.000 1.274) 2.251 5.277 ( -1.895 -0.000 -0.397) 1.936 5.290 ( -2.515 -0.000 0.446) 2.554 5.332 ( -1.616 -0.000 -0.474) 1.684 5.343 ( -1.702 -0.000 0.439) 1.758 5.858 ( -1.292 -0.000 0.618) 1.432 5.877 ( -0.752 -0.000 -0.552) 0.933 8.563 ( 0.462 0.000 -0.814) 0.936 8.584 ( 0.491 0.000 0.821) 0.956 12.448 ( 3.153 0.000 1.290) 3.406 12.492 ( -0.792 -0.000 -0.308) 0.850 12.615 ( -1.281 -0.000 -3.461) 3.690 12.624 ( 2.002 0.000 1.345) 2.411 12.752 ( 5.053 0.000 1.936) 5.411 12.794 ( 2.577 0.000 -0.863) 2.717 13.230 ( 3.644 0.000 -0.149) 3.647 13.297 ( 1.798 0.000 0.198) 1.809 13.392 ( 3.683 0.000 -0.426) 3.708 13.426 ( 3.018 0.000 0.462) 3.053 ======================= Grid point 192 (85/95) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( 4.683 0.681 2.739) 5.467 0.522 ( 3.002 -0.602 -0.561) 3.113 0.568 ( 0.252 0.417 -0.321) 0.583 0.782 ( 1.947 0.304 -0.926) 2.177 0.976 ( -2.272 0.697 0.140) 2.381 1.040 ( 3.293 6.012 0.031) 6.855 1.101 ( -3.616 -0.382 0.174) 3.640 1.193 ( 0.835 -6.522 0.032) 6.576 1.339 ( 5.231 2.291 0.923) 5.785 1.453 ( 0.509 6.318 -0.640) 6.371 1.505 ( 1.902 -0.204 -0.665) 2.025 1.540 ( 1.212 0.955 -0.043) 1.543 1.581 ( 1.414 -1.058 0.004) 1.766 1.607 ( -0.954 -6.195 0.145) 6.270 1.933 ( -6.118 -0.194 0.282) 6.127 2.025 ( -4.729 -0.824 -0.100) 4.801 2.165 ( -3.559 2.035 -0.504) 4.131 2.191 ( -2.145 1.873 -0.000) 2.847 2.241 ( -2.825 -0.878 -1.022) 3.130 2.323 ( -0.284 -3.196 0.707) 3.285 2.537 ( 2.885 2.619 -0.435) 3.921 2.589 ( 2.030 -3.070 -0.743) 3.755 2.658 ( 3.957 4.952 0.954) 6.410 2.719 ( 3.398 -0.855 0.902) 3.618 3.003 ( -6.157 -0.016 0.703) 6.197 3.023 ( -4.840 -1.806 -0.106) 5.167 3.302 ( 9.868 0.714 -0.927) 9.937 3.404 ( 7.554 0.332 0.346) 7.569 3.635 ( 3.375 2.426 0.144) 4.159 3.660 ( 3.261 1.518 -0.158) 3.601 3.842 ( 1.397 -1.220 0.479) 1.915 3.870 ( -0.302 -2.056 -0.624) 2.170 3.978 ( -0.504 3.432 -0.185) 3.473 4.061 ( -0.844 -4.094 -0.049) 4.181 4.211 ( 3.289 2.866 0.418) 4.383 4.265 ( 1.929 -1.820 -0.215) 2.661 4.455 ( -0.887 2.818 0.112) 2.956 4.511 ( -1.127 -2.195 -0.042) 2.468 4.645 ( 1.158 0.370 -0.011) 1.216 4.677 ( 0.637 -2.361 -0.120) 2.449 4.817 ( -1.818 0.739 -0.663) 2.072 4.839 ( -1.500 0.122 0.764) 1.688 5.220 ( -1.309 2.833 0.007) 3.121 5.276 ( -1.838 -2.344 -0.009) 2.979 5.302 ( -0.988 0.622 -0.047) 1.168 5.326 ( -0.886 -1.308 0.045) 1.580 5.835 ( -0.684 0.865 0.323) 1.149 5.871 ( -0.391 -0.919 -0.266) 1.034 8.543 ( -0.725 2.302 -0.285) 2.430 8.596 ( -1.256 -2.287 0.315) 2.628 12.471 ( 1.124 1.626 0.927) 2.183 12.513 ( 0.400 -2.221 1.577) 2.753 12.597 ( 0.510 0.093 -3.615) 3.652 12.647 ( 0.234 -0.326 0.192) 0.444 12.832 ( 3.480 0.521 -0.694) 3.586 12.857 ( 4.319 -1.069 1.588) 4.725 13.250 ( -0.868 1.213 0.809) 1.697 13.311 ( 0.637 0.777 -1.427) 1.744 13.425 ( 0.186 0.580 0.578) 0.840 13.464 ( 1.290 0.255 0.029) 1.316 ======================= Grid point 193 (86/95) ======================= q-point: (-0.56 0.22 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.499 ( -0.387 2.622 0.712) 2.745 0.548 ( 1.228 1.246 -0.483) 1.815 0.619 ( 3.382 0.805 3.124) 4.674 0.788 ( 0.338 0.857 -2.740) 2.891 0.936 ( -1.329 0.518 0.675) 1.578 1.023 ( -3.008 0.913 1.165) 3.353 1.058 ( 2.358 4.226 -0.463) 4.862 1.251 ( -0.674 -3.021 -0.244) 3.105 1.356 ( 0.648 3.125 -0.918) 3.321 1.383 ( -0.002 5.885 0.460) 5.903 1.555 ( 3.466 -0.246 0.224) 3.482 1.590 ( 2.896 -1.188 -0.079) 3.132 1.611 ( -0.132 -3.107 -0.998) 3.267 1.680 ( 2.892 -3.735 1.364) 4.917 1.834 ( -4.627 1.062 0.327) 4.759 1.948 ( -4.690 -0.669 -0.810) 4.807 2.076 ( -3.479 2.265 0.222) 4.157 2.111 ( -2.744 2.635 -1.123) 3.967 2.212 ( -3.214 -3.390 0.392) 4.688 2.372 ( 2.148 -2.755 -0.241) 3.502 2.541 ( -0.269 2.683 -1.569) 3.120 2.591 ( -1.096 2.761 1.954) 3.555 2.684 ( 2.724 2.181 -0.971) 3.622 2.729 ( -0.679 2.170 1.209) 2.575 2.926 ( -3.997 -1.119 1.266) 4.339 2.972 ( -3.607 -2.139 -0.976) 4.305 3.465 ( 9.998 2.621 -0.606) 10.354 3.520 ( 5.003 3.458 0.282) 6.088 3.643 ( 1.124 2.620 0.735) 2.944 3.669 ( 2.213 1.831 -0.734) 2.965 3.841 ( -3.860 -0.087 0.015) 3.861 3.885 ( 0.722 -1.942 0.070) 2.073 3.941 ( -0.253 1.943 -0.085) 1.961 4.063 ( -2.332 -3.008 0.021) 3.806 4.242 ( 3.536 3.136 -0.902) 4.811 4.284 ( -0.025 0.796 0.807) 1.134 4.421 ( -0.333 1.844 0.102) 1.877 4.500 ( -2.334 -1.562 -0.068) 2.810 4.668 ( 0.537 -0.305 -0.193) 0.647 4.718 ( 0.906 -2.460 0.417) 2.655 4.780 ( -1.720 -0.044 -0.379) 1.762 4.819 ( -0.740 -0.023 0.145) 0.755 5.196 ( 0.872 0.923 0.031) 1.271 5.277 ( -0.579 -2.632 -0.085) 2.696 5.293 ( 0.312 -0.240 0.049) 0.397 5.339 ( 0.396 -1.820 0.014) 1.863 5.826 ( 0.349 0.454 0.132) 0.588 5.880 ( 0.246 -1.206 -0.091) 1.234 8.502 ( -1.579 1.492 -0.109) 2.175 8.579 ( -3.071 -1.771 0.132) 3.548 12.471 ( 0.515 2.179 0.817) 2.384 12.540 ( 0.824 -0.921 0.834) 1.491 12.604 ( 0.332 -0.577 -1.733) 1.856 12.643 ( -0.976 -0.512 -0.370) 1.163 12.882 ( 3.669 1.299 -1.658) 4.231 12.927 ( 2.795 1.173 2.090) 3.682 13.186 ( -4.303 2.553 1.260) 5.159 13.303 ( 0.206 0.959 -2.818) 2.984 13.390 ( -3.098 1.785 1.664) 3.943 13.461 ( -0.621 1.436 -0.128) 1.570 ======================= Grid point 194 (87/95) ======================= q-point: (-0.44 0.22 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.466 ( 0.347 3.372 0.210) 3.396 0.542 ( 0.118 2.236 0.180) 2.246 0.651 ( 1.922 3.052 4.079) 5.445 0.767 ( -0.734 1.037 -3.620) 3.836 0.897 ( -2.875 2.998 0.509) 4.185 0.982 ( 0.894 2.212 1.205) 2.673 1.046 ( 1.015 5.093 -0.569) 5.224 1.202 ( -2.781 4.336 -0.715) 5.201 1.337 ( -0.355 3.457 0.408) 3.499 1.354 ( -0.477 -1.066 -0.445) 1.250 1.603 ( -1.581 1.884 -1.249) 2.758 1.608 ( 2.682 0.947 0.216) 2.853 1.642 ( 1.306 -0.545 -0.123) 1.420 1.726 ( -1.044 2.595 0.913) 2.943 1.796 ( 1.100 -1.809 2.230) 3.075 1.879 ( -3.542 -0.485 -1.935) 4.065 2.019 ( -0.103 3.172 0.220) 3.181 2.076 ( -0.310 -2.126 -1.036) 2.385 2.199 ( -1.827 -3.232 0.613) 3.763 2.406 ( -5.811 2.329 0.031) 6.260 2.456 ( 2.516 2.933 -1.203) 4.047 2.565 ( -0.557 3.693 1.428) 3.998 2.674 ( 1.822 2.358 -0.761) 3.076 2.732 ( 1.886 1.970 0.764) 2.832 2.871 ( -3.262 -0.115 0.023) 3.265 2.934 ( -2.710 -1.788 -0.146) 3.250 3.437 ( -4.910 4.872 -0.053) 6.918 3.547 ( -0.633 4.387 0.096) 4.433 3.643 ( 2.134 1.010 -0.150) 2.366 3.737 ( -1.681 2.057 -0.051) 2.657 3.789 ( 4.676 0.231 0.048) 4.682 3.881 ( 0.102 1.094 -0.047) 1.100 3.948 ( 2.420 0.346 0.211) 2.454 4.074 ( -0.013 -2.705 -0.133) 2.709 4.246 ( 0.884 2.916 -0.913) 3.181 4.289 ( 3.172 2.893 0.832) 4.373 4.408 ( 0.072 0.543 0.140) 0.566 4.461 ( -3.530 -1.043 -0.143) 3.684 4.651 ( -1.471 1.071 -0.036) 1.820 4.745 ( -0.486 -1.077 0.778) 1.414 4.757 ( -2.049 -2.300 -0.253) 3.090 4.816 ( -0.628 -1.635 -0.475) 1.815 5.229 ( 2.439 -1.099 0.023) 2.676 5.303 ( 0.024 -3.137 0.070) 3.137 5.319 ( 1.772 -1.148 -0.194) 2.121 5.369 ( 0.720 -2.099 0.099) 2.221 5.840 ( 1.336 -0.210 0.031) 1.352 5.899 ( 0.429 -1.224 -0.012) 1.297 8.465 ( -1.651 0.225 -0.007) 1.666 8.532 ( -3.905 -1.176 0.027) 4.078 12.451 ( 0.648 4.014 0.551) 4.103 12.555 ( 0.100 0.435 -0.141) 0.468 12.602 ( -1.077 -1.048 -0.212) 1.517 12.629 ( -1.122 -0.456 -0.521) 1.319 12.904 ( 1.783 5.281 0.536) 5.600 12.946 ( 2.257 2.923 -0.501) 3.727 13.083 ( -4.282 2.272 0.762) 4.907 13.285 ( -1.621 0.855 -3.119) 3.618 13.305 ( -2.781 3.309 2.434) 4.961 13.416 ( -2.026 2.803 0.133) 3.461 ======================= Grid point 195 (88/95) ======================= q-point: (-0.33 0.22 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.455 ( 2.046 2.875 -0.432) 3.555 0.514 ( -1.044 2.080 1.175) 2.607 0.662 ( 1.371 2.952 5.896) 6.734 0.722 ( -1.328 2.082 -5.824) 6.326 0.804 ( 0.170 9.170 0.305) 9.177 0.944 ( -1.598 9.456 -0.507) 9.604 1.032 ( 2.224 0.200 1.052) 2.468 1.119 ( -1.080 4.154 -0.760) 4.358 1.285 ( -1.542 5.292 0.265) 5.519 1.315 ( -3.057 3.743 -0.109) 4.833 1.520 ( -0.806 8.342 -0.251) 8.385 1.585 ( -2.923 8.797 -0.709) 9.297 1.651 ( 0.943 0.009 -0.418) 1.032 1.677 ( -0.077 2.344 0.785) 2.474 1.806 ( -2.294 0.376 1.777) 2.926 1.845 ( -0.966 -1.972 -1.500) 2.659 2.011 ( 2.189 1.913 0.518) 2.953 2.118 ( 0.966 -1.626 -0.168) 1.899 2.196 ( -2.725 0.960 -1.105) 3.093 2.244 ( -4.422 1.775 0.857) 4.841 2.488 ( 2.107 1.128 -1.163) 2.658 2.530 ( 0.056 1.699 1.228) 2.097 2.701 ( 2.610 1.970 -0.193) 3.276 2.737 ( 1.209 3.443 0.452) 3.677 2.839 ( -0.355 -1.430 -0.544) 1.571 2.910 ( -1.841 -0.270 0.138) 1.865 3.327 ( -2.697 1.291 0.103) 2.992 3.438 ( -6.190 3.040 -0.077) 6.897 3.625 ( -1.227 2.096 0.360) 2.456 3.651 ( -2.736 3.289 -0.488) 4.306 3.877 ( 3.879 0.495 0.369) 3.928 3.911 ( 3.080 1.617 -0.192) 3.483 4.006 ( 3.787 0.293 0.001) 3.798 4.082 ( -1.194 -0.821 -0.117) 1.454 4.255 ( 3.270 1.519 -0.033) 3.605 4.322 ( 4.067 4.333 0.063) 5.944 4.401 ( -2.009 -0.107 0.480) 2.068 4.405 ( -2.667 0.014 -0.674) 2.750 4.629 ( 0.249 -0.458 0.441) 0.683 4.723 ( -3.311 -2.231 -0.191) 3.997 4.763 ( 0.129 -1.911 0.226) 1.928 4.816 ( -1.796 -2.472 -0.268) 3.067 5.287 ( 2.304 -1.930 -0.029) 3.005 5.330 ( -0.296 -2.511 0.225) 2.539 5.364 ( 1.802 -1.436 -0.521) 2.362 5.398 ( 0.023 -2.012 0.258) 2.029 5.872 ( 1.727 -0.733 -0.027) 1.876 5.912 ( -0.292 -0.944 0.027) 0.988 8.445 ( -0.821 -0.774 0.162) 1.140 8.480 ( -2.985 -0.957 -0.107) 3.137 12.426 ( 1.917 5.338 0.268) 5.678 12.526 ( -2.150 2.377 -0.525) 3.247 12.591 ( -1.180 -0.784 0.048) 1.418 12.603 ( -1.718 -0.119 0.051) 1.723 12.861 ( 0.985 6.527 0.522) 6.621 12.918 ( -1.052 5.845 0.343) 5.949 13.040 ( 1.924 1.635 -1.974) 3.205 13.183 ( -5.570 2.537 2.232) 6.515 13.284 ( 1.308 2.934 -1.722) 3.645 13.345 ( -2.407 3.672 0.564) 4.427 ======================= Grid point 196 (89/95) ======================= q-point: (-0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.472 ( 2.174 1.591 -1.288) 2.986 0.472 ( -2.174 1.591 1.288) 2.986 0.661 ( 0.349 3.558 -7.730) 8.516 0.661 ( -0.349 3.558 7.730) 8.516 0.762 ( -3.870 11.273 -1.694) 12.039 0.762 ( 3.870 11.273 1.694) 12.039 1.073 ( -1.102 1.669 -1.112) 2.288 1.073 ( 1.102 1.669 1.112) 2.288 1.180 ( -1.222 14.004 -0.161) 14.058 1.180 ( 1.222 14.004 0.161) 14.058 1.436 ( -1.124 8.037 -1.084) 8.187 1.436 ( 1.124 8.037 1.084) 8.187 1.655 ( 0.617 2.020 -0.924) 2.305 1.655 ( -0.617 2.020 0.924) 2.305 1.807 ( -0.623 1.490 -2.671) 3.121 1.807 ( 0.623 1.490 2.671) 3.121 2.047 ( -2.482 1.073 -1.221) 2.967 2.047 ( 2.482 1.073 1.221) 2.967 2.212 ( 1.584 -2.159 -1.998) 3.341 2.212 ( -1.584 -2.159 1.998) 3.341 2.510 ( 1.388 1.641 -0.744) 2.274 2.510 ( -1.388 1.641 0.744) 2.274 2.715 ( 0.885 1.245 -0.948) 1.798 2.715 ( -0.885 1.245 0.948) 1.798 2.874 ( -0.952 -1.232 -0.677) 1.698 2.874 ( 0.952 -1.232 0.677) 1.698 3.327 ( -2.609 1.417 -0.512) 3.013 3.327 ( 2.609 1.417 0.512) 3.013 3.596 ( 0.010 2.216 -1.376) 2.609 3.596 ( -0.010 2.216 1.376) 2.609 3.914 ( -0.779 0.880 -0.596) 1.317 3.914 ( 0.779 0.880 0.596) 1.317 4.051 ( -2.138 1.020 -0.311) 2.389 4.051 ( 2.138 1.020 0.311) 2.389 4.304 ( -2.353 3.217 -0.135) 3.988 4.304 ( 2.353 3.217 0.135) 3.988 4.368 ( 0.466 0.408 -0.982) 1.162 4.368 ( -0.466 0.408 0.982) 1.162 4.683 ( -3.055 -2.318 -0.887) 3.936 4.683 ( 3.055 -2.318 0.887) 3.936 4.804 ( -0.216 -2.332 -2.117) 3.158 4.804 ( 0.216 -2.332 2.117) 3.158 5.339 ( -1.061 -1.968 -0.145) 2.240 5.339 ( 1.061 -1.968 0.145) 2.240 5.402 ( 0.165 -0.788 -1.531) 1.730 5.402 ( -0.165 -0.788 1.531) 1.730 5.907 ( -1.017 -0.821 -0.077) 1.310 5.907 ( 1.017 -0.821 0.077) 1.310 8.456 ( -0.625 -1.145 -0.667) 1.465 8.456 ( 0.625 -1.145 0.667) 1.465 12.426 ( -4.233 4.991 -0.055) 6.544 12.426 ( 4.233 4.991 0.055) 6.544 12.589 ( -0.223 -0.547 -0.417) 0.723 12.589 ( 0.223 -0.547 0.417) 0.723 12.828 ( -0.370 6.151 -0.677) 6.199 12.828 ( 0.370 6.151 0.677) 6.199 13.073 ( 1.671 2.930 -4.064) 5.281 13.073 ( -1.671 2.930 4.064) 5.281 13.273 ( 1.724 3.707 -0.921) 4.191 13.273 ( -1.724 3.707 0.921) 4.191 ======================= Grid point 202 (90/95) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( -0.806 -0.000 0.888) 1.199 0.562 ( 1.982 0.000 -0.692) 2.099 0.625 ( 4.614 0.000 3.418) 5.742 0.798 ( 0.383 0.000 -3.192) 3.215 0.944 ( -1.478 -0.000 0.651) 1.615 1.026 ( -2.787 -0.000 1.143) 3.012 1.155 ( 2.898 0.000 0.669) 2.974 1.161 ( 1.139 0.000 -1.051) 1.550 1.420 ( 0.791 0.000 -0.882) 1.185 1.486 ( -3.829 -0.000 1.474) 4.103 1.515 ( 0.943 0.000 -0.072) 0.946 1.530 ( 1.005 0.000 -1.001) 1.418 1.568 ( 2.457 0.000 0.028) 2.457 1.661 ( 6.191 0.000 0.251) 6.196 1.839 ( -4.390 -0.000 0.615) 4.433 1.944 ( -3.883 -0.000 -0.995) 4.009 2.120 ( -3.114 -0.000 -1.545) 3.476 2.138 ( -3.701 -0.000 2.166) 4.288 2.241 ( 1.085 0.000 -4.075) 4.217 2.278 ( -0.334 -0.000 2.907) 2.927 2.569 ( -0.496 -0.000 -2.373) 2.425 2.604 ( 1.427 0.000 1.895) 2.372 2.728 ( -0.201 -0.000 -0.694) 0.722 2.752 ( 1.662 0.000 1.709) 2.384 2.905 ( -4.588 -0.000 2.071) 5.034 2.949 ( -2.769 -0.000 -1.699) 3.249 3.494 ( 10.988 0.000 -0.716) 11.011 3.556 ( 8.566 0.000 0.420) 8.576 3.675 ( -0.849 -0.000 0.479) 0.975 3.698 ( -0.460 -0.000 -0.456) 0.647 3.839 ( -1.012 -0.000 -0.721) 1.243 3.846 ( -0.119 -0.000 0.580) 0.592 3.990 ( -1.514 -0.000 -0.050) 1.515 4.007 ( -1.043 -0.000 -0.092) 1.047 4.283 ( 1.997 0.000 -2.005) 2.830 4.284 ( 2.217 0.000 2.088) 3.046 4.450 ( -1.487 -0.000 0.183) 1.498 4.475 ( -1.341 -0.000 -0.160) 1.350 4.670 ( 0.245 0.000 -0.571) 0.621 4.681 ( 1.859 0.000 0.624) 1.961 4.781 ( -2.487 -0.000 -0.497) 2.536 4.821 ( -0.971 -0.000 0.432) 1.063 5.223 ( -0.757 -0.000 0.170) 0.776 5.232 ( -0.594 -0.000 -0.172) 0.618 5.302 ( -0.231 -0.000 0.014) 0.231 5.310 ( 0.683 0.000 -0.005) 0.683 5.834 ( 0.035 0.000 0.388) 0.390 5.864 ( 0.250 0.000 -0.328) 0.412 8.534 ( -1.972 -0.000 -1.044) 2.231 8.544 ( -2.893 -0.000 1.072) 3.085 12.506 ( 1.656 0.000 -0.332) 1.689 12.514 ( 0.610 0.000 2.772) 2.838 12.600 ( 0.536 0.000 -2.694) 2.747 12.637 ( -1.088 -0.000 -0.209) 1.108 12.890 ( 4.197 0.000 -2.187) 4.732 12.939 ( 3.883 0.000 2.663) 4.709 13.216 ( -4.132 -0.000 1.677) 4.459 13.311 ( -0.047 -0.000 -3.442) 3.442 13.410 ( -2.575 -0.000 1.932) 3.219 13.476 ( -0.092 -0.000 -0.223) 0.241 ======================= Grid point 203 (91/95) ======================= q-point: (-0.56 0.33 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.508 ( -0.308 1.019 0.501) 1.177 0.575 ( 0.241 0.944 -0.237) 1.003 0.693 ( 2.206 1.130 4.997) 5.578 0.782 ( -0.586 0.381 -4.742) 4.793 0.940 ( 1.270 1.208 0.476) 1.816 1.008 ( 0.860 0.959 1.220) 1.774 1.140 ( 0.695 3.910 -0.851) 4.061 1.221 ( 0.301 -2.493 0.191) 2.518 1.375 ( -1.713 3.483 -1.004) 4.009 1.406 ( -2.516 2.839 0.619) 3.844 1.539 ( -0.446 -3.383 -0.556) 3.457 1.562 ( -0.651 -5.106 0.489) 5.170 1.650 ( 5.914 0.649 -0.348) 5.960 1.762 ( 4.947 1.057 1.267) 5.215 1.793 ( -1.237 0.187 0.922) 1.554 1.887 ( -2.099 0.414 -2.055) 2.966 2.051 ( -1.735 1.935 -0.271) 2.613 2.115 ( -2.172 -2.748 0.913) 3.620 2.197 ( 2.616 8.360 -0.981) 8.815 2.358 ( 0.990 -5.649 0.403) 5.749 2.531 ( -1.562 2.268 -1.793) 3.286 2.613 ( -0.631 1.123 2.380) 2.706 2.711 ( 0.454 1.026 -1.572) 1.931 2.767 ( 1.863 1.765 0.888) 2.716 2.868 ( -1.547 -1.161 1.801) 2.643 2.903 ( -2.559 -0.411 -1.415) 2.953 3.541 ( -5.559 5.033 -0.237) 7.503 3.610 ( -6.310 -0.560 0.043) 6.335 3.658 ( 5.625 2.672 0.335) 6.236 3.735 ( 2.321 -1.967 -0.316) 3.059 3.817 ( 2.727 2.449 -0.050) 3.665 3.872 ( 1.540 -1.965 0.069) 2.498 3.968 ( 1.295 1.708 0.245) 2.158 4.021 ( 0.727 -2.453 -0.328) 2.580 4.292 ( 0.182 1.688 -0.708) 1.840 4.318 ( 1.797 0.016 0.852) 1.989 4.426 ( -0.533 1.018 -0.029) 1.150 4.451 ( -1.811 -0.174 -0.148) 1.825 4.658 ( -1.428 -0.168 -0.351) 1.480 4.713 ( 0.247 -1.341 0.782) 1.572 4.734 ( -2.831 -0.389 -0.153) 2.861 4.804 ( -1.136 -0.037 -0.248) 1.164 5.219 ( 1.125 0.180 0.061) 1.141 5.246 ( 0.297 -2.233 -0.054) 2.253 5.307 ( 0.958 -0.100 -0.138) 0.973 5.333 ( 0.814 -1.299 0.144) 1.540 5.842 ( 1.001 0.308 0.262) 1.079 5.876 ( 0.581 -0.892 -0.213) 1.085 8.478 ( -2.546 1.121 -0.058) 2.782 8.505 ( -3.448 -1.468 0.068) 3.748 12.515 ( 1.308 2.400 1.261) 3.011 12.549 ( 0.931 -1.114 0.788) 1.652 12.595 ( -0.398 0.394 -1.382) 1.491 12.617 ( -0.982 -0.635 -0.975) 1.523 12.964 ( 5.048 0.906 -2.003) 5.506 12.985 ( 1.435 1.301 1.961) 2.756 13.128 ( -5.169 1.654 1.757) 5.705 13.294 ( -1.203 0.152 -4.090) 4.266 13.357 ( -2.478 1.565 2.659) 3.957 13.457 ( -1.442 1.145 -0.007) 1.841 ======================= Grid point 204 (92/95) ======================= q-point: (-0.44 0.33 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.501 ( 1.034 1.763 0.212) 2.055 0.552 ( -1.203 1.694 0.181) 2.086 0.711 ( 0.346 1.958 6.245) 6.554 0.752 ( -0.487 1.000 -5.988) 6.091 0.948 ( 3.218 5.281 0.202) 6.187 1.043 ( 3.708 0.958 0.658) 3.885 1.085 ( -1.986 4.921 -0.712) 5.354 1.193 ( -3.212 2.321 0.108) 3.964 1.335 ( -0.525 0.505 -0.030) 0.729 1.353 ( -1.121 2.259 -0.117) 2.524 1.573 ( 0.539 -3.309 -0.742) 3.434 1.599 ( -0.995 -4.684 0.444) 4.809 1.702 ( 3.220 5.324 -0.341) 6.232 1.773 ( -0.178 4.448 -0.353) 4.466 1.800 ( 0.695 0.994 3.815) 4.003 1.845 ( -1.145 1.713 -3.010) 3.648 2.058 ( 2.540 -1.863 -0.354) 3.170 2.112 ( 0.447 0.144 0.548) 0.721 2.179 ( 1.917 3.423 -0.196) 3.929 2.322 ( -6.330 2.362 0.044) 6.756 2.517 ( 2.172 1.865 -1.161) 3.089 2.575 ( -1.678 2.353 1.509) 3.260 2.737 ( 3.278 1.405 -0.426) 3.592 2.800 ( 3.279 2.786 0.846) 4.386 2.841 ( -0.962 1.122 -1.189) 1.897 2.898 ( 0.927 -1.048 0.509) 1.489 3.371 ( -6.537 3.235 -0.041) 7.294 3.472 ( -9.113 0.069 0.005) 9.113 3.668 ( -0.380 2.285 0.751) 2.435 3.705 ( -2.413 1.959 -0.768) 3.201 3.902 ( 5.359 1.799 0.109) 5.654 3.937 ( 3.951 0.721 -0.028) 4.017 4.002 ( 3.106 -0.161 0.101) 3.111 4.057 ( 0.165 -1.691 -0.218) 1.713 4.278 ( 1.084 1.082 -0.043) 1.532 4.345 ( -0.281 -1.601 0.220) 1.641 4.416 ( 0.432 1.458 -0.304) 1.550 4.420 ( -0.452 1.113 0.050) 1.202 4.631 ( -1.238 0.117 0.229) 1.265 4.682 ( -3.387 -1.422 -0.670) 3.734 4.733 ( 0.106 -1.202 1.351) 1.812 4.782 ( -1.731 -0.874 -0.820) 2.105 5.251 ( 1.597 -1.458 -0.021) 2.163 5.276 ( 0.132 -2.639 0.094) 2.644 5.334 ( 1.410 -1.295 -0.391) 1.954 5.358 ( 0.144 -1.784 0.324) 1.819 5.863 ( 1.430 -0.153 0.144) 1.446 5.892 ( 0.033 -0.978 -0.124) 0.986 8.438 ( -1.386 -0.016 0.143) 1.394 8.461 ( -2.776 -0.976 -0.139) 2.946 12.514 ( 1.521 3.156 1.086) 3.668 12.554 ( -0.758 0.362 -0.080) 0.844 12.580 ( -0.212 0.298 -0.801) 0.880 12.608 ( -0.809 0.351 -0.454) 0.992 12.967 ( 0.250 3.874 0.864) 3.977 13.014 ( -0.653 3.714 0.575) 3.814 13.060 ( 2.296 0.488 -1.524) 2.798 13.223 ( -5.079 1.381 0.644) 5.303 13.337 ( 1.568 2.326 -0.830) 2.925 13.407 ( -2.215 2.431 0.485) 3.324 ======================= Grid point 205 (93/95) ======================= q-point: (-0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.508 ( -1.217 1.955 0.227) 2.314 0.508 ( 1.217 1.955 -0.227) 2.314 0.712 ( -0.273 2.155 -7.012) 7.341 0.712 ( 0.273 2.155 7.012) 7.341 0.957 ( -4.786 7.672 -0.178) 9.044 0.957 ( 4.786 7.672 0.178) 9.044 1.107 ( -3.790 1.906 -0.452) 4.267 1.107 ( 3.790 1.906 0.452) 4.267 1.318 ( 0.371 2.683 -1.196) 2.960 1.318 ( -0.371 2.683 1.196) 2.960 1.603 ( -1.140 1.871 -0.117) 2.194 1.603 ( 1.140 1.871 0.117) 2.194 1.685 ( -1.905 5.183 -0.279) 5.529 1.685 ( 1.905 5.183 0.279) 5.529 1.811 ( -0.265 0.080 -4.516) 4.525 1.811 ( 0.265 0.080 4.516) 4.525 2.118 ( -3.173 1.929 0.790) 3.796 2.118 ( 3.173 1.929 -0.790) 3.796 2.186 ( 1.743 1.657 -1.859) 3.040 2.186 ( -1.743 1.657 1.859) 3.040 2.530 ( 1.811 1.542 -1.497) 2.810 2.530 ( -1.811 1.542 1.497) 2.810 2.762 ( -2.010 2.820 -0.080) 3.464 2.762 ( 2.010 2.820 0.080) 3.464 2.877 ( -1.775 1.346 -0.696) 2.334 2.877 ( 1.775 1.346 0.696) 2.334 3.341 ( -4.126 -0.023 -0.342) 4.140 3.341 ( 4.126 -0.023 0.342) 4.140 3.647 ( -0.435 2.807 -1.720) 3.321 3.647 ( 0.435 2.807 1.720) 3.321 3.942 ( -1.553 1.988 -0.139) 2.526 3.942 ( 1.553 1.988 0.139) 2.526 4.052 ( -1.697 -0.649 -0.100) 1.819 4.052 ( 1.697 -0.649 0.100) 1.819 4.322 ( -3.426 -0.814 -0.224) 3.528 4.322 ( 3.426 -0.814 0.224) 3.528 4.406 ( -0.960 2.292 -0.662) 2.572 4.406 ( 0.960 2.292 0.662) 2.572 4.643 ( -2.163 -1.423 -0.878) 2.734 4.643 ( 2.163 -1.423 0.878) 2.734 4.762 ( -0.740 -1.697 -1.816) 2.594 4.762 ( 0.740 -1.697 1.816) 2.594 5.294 ( -0.760 -2.420 -0.051) 2.537 5.294 ( 0.760 -2.420 0.051) 2.537 5.371 ( 0.411 -1.931 -0.836) 2.144 5.371 ( -0.411 -1.931 0.836) 2.144 5.891 ( -1.045 -0.733 -0.084) 1.279 5.891 ( 1.045 -0.733 0.084) 1.279 8.437 ( -0.159 -0.779 -1.186) 1.428 8.437 ( 0.159 -0.779 1.186) 1.428 12.515 ( -1.876 3.448 -0.986) 4.047 12.515 ( 1.876 3.448 0.986) 4.047 12.581 ( 0.065 0.156 -0.537) 0.563 12.581 ( -0.065 0.156 0.537) 0.563 12.941 ( -0.602 4.898 -0.460) 4.957 12.941 ( 0.602 4.898 0.460) 4.957 13.119 ( 2.148 1.882 -2.559) 3.834 13.119 ( -2.148 1.882 2.559) 3.834 13.342 ( 2.209 3.162 -1.097) 4.010 13.342 ( -2.209 3.162 1.097) 4.010 ======================= Grid point 213 (94/95) ======================= q-point: (-0.56 0.44 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.519 ( 0.912 0.000 0.626) 1.106 0.571 ( -1.162 -0.000 -0.301) 1.200 0.732 ( 0.202 0.000 6.174) 6.177 0.761 ( -0.122 -0.000 -5.813) 5.814 1.003 ( 4.340 0.000 0.086) 4.341 1.054 ( 3.226 0.000 0.682) 3.297 1.142 ( -2.023 -0.000 -1.142) 2.323 1.197 ( -2.552 -0.000 0.709) 2.649 1.365 ( -1.151 -0.000 -1.460) 1.859 1.373 ( -2.114 -0.000 0.919) 2.305 1.526 ( 0.381 0.000 -0.784) 0.871 1.528 ( 0.179 0.000 0.998) 1.014 1.753 ( 4.419 0.000 -1.723) 4.743 1.785 ( -0.245 -0.000 3.127) 3.137 1.858 ( 4.194 0.000 0.122) 4.196 1.876 ( 1.367 0.000 -1.816) 2.273 2.045 ( -0.602 -0.000 -2.120) 2.204 2.056 ( -1.863 -0.000 2.602) 3.200 2.284 ( -0.441 -0.000 -2.192) 2.236 2.310 ( -2.392 -0.000 1.897) 3.053 2.541 ( 2.044 0.000 -1.247) 2.395 2.600 ( -1.605 -0.000 1.852) 2.450 2.751 ( 3.731 0.000 -0.838) 3.824 2.839 ( 4.966 0.000 0.414) 4.983 2.857 ( -1.915 -0.000 -1.641) 2.522 2.876 ( 2.713 0.000 1.571) 3.135 3.436 ( -9.297 -0.000 -1.096) 9.361 3.442 ( -9.959 -0.000 1.024) 10.011 3.699 ( -0.755 -0.000 1.599) 1.768 3.722 ( -1.265 -0.000 -1.556) 2.005 3.929 ( 6.168 0.000 0.101) 6.169 3.937 ( 5.313 0.000 -0.147) 5.315 4.010 ( 1.708 0.000 0.746) 1.863 4.026 ( 1.338 0.000 -0.798) 1.558 4.299 ( -0.498 -0.000 0.005) 0.498 4.315 ( -1.032 -0.000 0.245) 1.061 4.429 ( 0.187 0.000 -0.810) 0.831 4.433 ( -0.563 -0.000 0.511) 0.760 4.629 ( -1.197 -0.000 0.048) 1.198 4.672 ( -2.981 -0.000 -0.830) 3.094 4.720 ( 0.388 0.000 1.630) 1.675 4.776 ( -1.877 -0.000 -0.774) 2.031 5.237 ( 0.961 0.000 -0.021) 0.961 5.245 ( 0.664 0.000 0.040) 0.665 5.321 ( 0.988 0.000 -0.271) 1.025 5.339 ( 0.272 0.000 0.266) 0.380 5.864 ( 1.095 0.000 0.418) 1.172 5.880 ( 0.381 0.000 -0.388) 0.544 8.443 ( -2.390 -0.000 1.573) 2.862 8.445 ( -1.905 -0.000 -1.575) 2.471 12.542 ( -0.203 -0.000 1.732) 1.744 12.552 ( -0.244 -0.000 -0.065) 0.252 12.602 ( 0.729 0.000 -2.183) 2.302 12.603 ( 0.631 0.000 0.258) 0.681 13.005 ( 0.074 0.000 0.887) 0.890 13.052 ( 0.760 0.000 0.381) 0.850 13.064 ( 0.917 0.000 -0.727) 1.170 13.236 ( -4.543 -0.000 -0.515) 4.572 13.362 ( 1.351 0.000 -0.145) 1.359 13.432 ( -2.114 -0.000 0.362) 2.144 ======================= Grid point 215 (95/95) ======================= q-point: (-0.44 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.539 ( -1.625 0.944 -0.446) 1.932 0.539 ( 1.625 0.944 0.446) 1.932 0.743 ( 0.137 0.885 -6.413) 6.475 0.743 ( -0.137 0.885 6.413) 6.475 1.061 ( -3.825 3.086 -0.308) 4.924 1.061 ( 3.825 3.086 0.308) 4.924 1.133 ( -4.305 0.325 -0.121) 4.319 1.133 ( 4.305 0.325 0.121) 4.319 1.349 ( 0.069 1.095 -1.263) 1.673 1.349 ( -0.069 1.095 1.263) 1.673 1.548 ( 0.281 -3.241 -1.037) 3.415 1.548 ( -0.281 -3.241 1.037) 3.415 1.781 ( 1.111 1.198 -3.043) 3.454 1.781 ( -1.111 1.198 3.043) 3.454 1.866 ( -0.409 5.568 -0.790) 5.639 1.866 ( 0.409 5.568 0.790) 5.639 2.066 ( 0.564 -4.167 -2.149) 4.722 2.066 ( -0.564 -4.167 2.149) 4.722 2.259 ( -0.255 2.538 -1.680) 3.054 2.259 ( 0.255 2.538 1.680) 3.054 2.568 ( 1.931 1.518 -1.542) 2.900 2.568 ( -1.931 1.518 1.542) 2.900 2.803 ( -2.782 1.117 -0.422) 3.027 2.803 ( 2.782 1.117 0.422) 3.027 2.912 ( -0.576 1.482 -0.720) 1.745 2.912 ( 0.576 1.482 0.720) 1.745 3.333 ( -0.924 -0.448 -1.374) 1.715 3.333 ( 0.924 -0.448 1.374) 1.715 3.693 ( -0.517 1.438 -1.841) 2.393 3.693 ( 0.517 1.438 1.841) 2.393 3.982 ( -0.216 1.603 -0.511) 1.696 3.982 ( 0.216 1.603 0.511) 1.696 4.036 ( -1.092 -0.825 -0.259) 1.393 4.036 ( 1.092 -0.825 0.259) 1.393 4.302 ( -1.194 -0.834 -0.310) 1.489 4.302 ( 1.194 -0.834 0.310) 1.489 4.429 ( 0.121 0.259 -0.928) 0.971 4.429 ( -0.121 0.259 0.928) 0.971 4.630 ( -1.353 -0.134 -0.596) 1.485 4.630 ( 1.353 -0.134 0.596) 1.485 4.743 ( -1.448 -0.375 -1.414) 2.058 4.743 ( 1.448 -0.375 1.414) 2.058 5.255 ( -0.193 -1.223 -0.029) 1.238 5.255 ( 0.193 -1.223 0.029) 1.238 5.340 ( 0.515 -0.936 -0.335) 1.120 5.340 ( -0.515 -0.936 0.335) 1.120 5.880 ( -0.514 -0.299 -0.398) 0.715 5.880 ( 0.514 -0.299 0.398) 0.715 8.426 ( 0.128 -0.288 -1.614) 1.644 8.426 ( -0.128 -0.288 1.614) 1.644 12.543 ( -0.293 0.137 -0.813) 0.874 12.543 ( 0.293 0.137 0.813) 0.874 12.604 ( 0.249 1.264 -1.603) 2.056 12.604 ( -0.249 1.264 1.603) 2.056 13.006 ( 0.462 1.662 -0.456) 1.785 13.006 ( -0.462 1.662 0.456) 1.785 13.146 ( -2.848 0.768 0.301) 2.965 13.146 ( 2.848 0.768 -0.301) 2.965 13.388 ( -0.702 1.324 0.193) 1.511 13.388 ( 0.702 1.324 -0.193) 1.511 =================== 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 3/19440 10.0 2.606 4.020 2.297 0.000 0.542 0.000 3/19440 20.0 1.928 2.880 1.061 0.000 0.236 0.000 3/19440 30.0 1.431 2.099 0.669 0.000 0.141 0.000 3/19440 40.0 1.122 1.615 0.483 0.000 0.098 0.000 3/19440 50.0 0.919 1.302 0.377 0.000 0.075 0.000 3/19440 60.0 0.777 1.088 0.309 0.000 0.060 0.000 3/19440 70.0 0.673 0.934 0.262 0.000 0.051 0.000 3/19440 80.0 0.594 0.819 0.227 0.000 0.043 0.000 3/19440 90.0 0.532 0.730 0.201 0.000 0.038 0.000 3/19440 100.0 0.483 0.659 0.181 0.000 0.034 0.000 3/19440 110.0 0.443 0.601 0.164 0.000 0.030 0.000 3/19440 120.0 0.409 0.553 0.151 0.000 0.027 0.000 3/19440 130.0 0.381 0.512 0.139 0.000 0.025 0.000 3/19440 140.0 0.356 0.478 0.130 0.000 0.023 0.000 3/19440 150.0 0.335 0.448 0.121 0.000 0.021 0.000 3/19440 160.0 0.316 0.422 0.114 0.000 0.020 0.000 3/19440 170.0 0.300 0.398 0.108 0.000 0.018 0.000 3/19440 180.0 0.285 0.378 0.102 0.000 0.017 0.000 3/19440 190.0 0.272 0.359 0.097 0.000 0.016 0.000 3/19440 200.0 0.259 0.342 0.092 0.000 0.015 0.000 3/19440 210.0 0.248 0.327 0.088 0.000 0.014 0.000 3/19440 220.0 0.238 0.313 0.084 0.000 0.013 0.000 3/19440 230.0 0.229 0.300 0.081 0.000 0.013 0.000 3/19440 240.0 0.220 0.289 0.078 0.000 0.012 0.000 3/19440 250.0 0.212 0.278 0.075 0.000 0.012 0.000 3/19440 260.0 0.205 0.268 0.072 0.000 0.011 0.000 3/19440 270.0 0.198 0.258 0.070 0.000 0.011 0.000 3/19440 280.0 0.192 0.250 0.067 0.000 0.010 0.000 3/19440 290.0 0.186 0.242 0.065 0.000 0.010 0.000 3/19440 300.0 0.180 0.234 0.063 0.000 0.009 0.000 3/19440 310.0 0.175 0.227 0.061 0.000 0.009 0.000 3/19440 320.0 0.169 0.220 0.059 0.000 0.009 0.000 3/19440 330.0 0.165 0.214 0.057 0.000 0.008 0.000 3/19440 340.0 0.160 0.208 0.056 0.000 0.008 0.000 3/19440 350.0 0.156 0.202 0.054 0.000 0.008 0.000 3/19440 360.0 0.152 0.197 0.053 0.000 0.008 0.000 3/19440 370.0 0.148 0.191 0.051 0.000 0.007 0.000 3/19440 380.0 0.144 0.187 0.050 0.000 0.007 0.000 3/19440 390.0 0.141 0.182 0.049 0.000 0.007 0.000 3/19440 400.0 0.138 0.178 0.048 0.000 0.007 0.000 3/19440 410.0 0.134 0.173 0.047 0.000 0.007 0.000 3/19440 420.0 0.131 0.169 0.046 0.000 0.006 0.000 3/19440 430.0 0.128 0.166 0.045 0.000 0.006 0.000 3/19440 440.0 0.126 0.162 0.044 0.000 0.006 0.000 3/19440 450.0 0.123 0.158 0.043 0.000 0.006 0.000 3/19440 460.0 0.120 0.155 0.042 0.000 0.006 0.000 3/19440 470.0 0.118 0.152 0.041 0.000 0.006 0.000 3/19440 480.0 0.116 0.149 0.040 0.000 0.006 0.000 3/19440 490.0 0.113 0.146 0.039 0.000 0.005 0.000 3/19440 500.0 0.111 0.143 0.038 0.000 0.005 0.000 3/19440 510.0 0.109 0.140 0.038 0.000 0.005 0.000 3/19440 520.0 0.107 0.138 0.037 0.000 0.005 0.000 3/19440 530.0 0.105 0.135 0.036 0.000 0.005 0.000 3/19440 540.0 0.103 0.133 0.036 0.000 0.005 0.000 3/19440 550.0 0.101 0.130 0.035 0.000 0.005 0.000 3/19440 560.0 0.100 0.128 0.034 0.000 0.005 0.000 3/19440 570.0 0.098 0.126 0.034 0.000 0.005 0.000 3/19440 580.0 0.096 0.124 0.033 0.000 0.005 0.000 3/19440 590.0 0.095 0.122 0.033 0.000 0.004 0.000 3/19440 600.0 0.093 0.120 0.032 0.000 0.004 0.000 3/19440 610.0 0.092 0.118 0.032 0.000 0.004 0.000 3/19440 620.0 0.090 0.116 0.031 0.000 0.004 0.000 3/19440 630.0 0.089 0.114 0.031 0.000 0.004 0.000 3/19440 640.0 0.088 0.112 0.030 0.000 0.004 0.000 3/19440 650.0 0.086 0.111 0.030 0.000 0.004 0.000 3/19440 660.0 0.085 0.109 0.029 0.000 0.004 0.000 3/19440 670.0 0.084 0.107 0.029 0.000 0.004 0.000 3/19440 680.0 0.083 0.106 0.028 0.000 0.004 0.000 3/19440 690.0 0.081 0.104 0.028 0.000 0.004 0.000 3/19440 700.0 0.080 0.103 0.028 0.000 0.004 0.000 3/19440 710.0 0.079 0.101 0.027 0.000 0.004 0.000 3/19440 720.0 0.078 0.100 0.027 0.000 0.004 0.000 3/19440 730.0 0.077 0.099 0.027 0.000 0.004 0.000 3/19440 740.0 0.076 0.097 0.026 0.000 0.004 0.000 3/19440 750.0 0.075 0.096 0.026 0.000 0.003 0.000 3/19440 760.0 0.074 0.095 0.025 0.000 0.003 0.000 3/19440 770.0 0.073 0.094 0.025 0.000 0.003 0.000 3/19440 780.0 0.072 0.092 0.025 0.000 0.003 0.000 3/19440 790.0 0.071 0.091 0.025 0.000 0.003 0.000 3/19440 800.0 0.070 0.090 0.024 0.000 0.003 0.000 3/19440 810.0 0.070 0.089 0.024 0.000 0.003 0.000 3/19440 820.0 0.069 0.088 0.024 0.000 0.003 0.000 3/19440 830.0 0.068 0.087 0.023 0.000 0.003 0.000 3/19440 840.0 0.067 0.086 0.023 0.000 0.003 0.000 3/19440 850.0 0.066 0.085 0.023 0.000 0.003 0.000 3/19440 860.0 0.066 0.084 0.023 0.000 0.003 0.000 3/19440 870.0 0.065 0.083 0.022 0.000 0.003 0.000 3/19440 880.0 0.064 0.082 0.022 0.000 0.003 0.000 3/19440 890.0 0.063 0.081 0.022 0.000 0.003 0.000 3/19440 900.0 0.063 0.080 0.022 0.000 0.003 0.000 3/19440 910.0 0.062 0.079 0.021 0.000 0.003 0.000 3/19440 920.0 0.061 0.079 0.021 0.000 0.003 0.000 3/19440 930.0 0.061 0.078 0.021 0.000 0.003 0.000 3/19440 940.0 0.060 0.077 0.021 0.000 0.003 0.000 3/19440 950.0 0.059 0.076 0.020 0.000 0.003 0.000 3/19440 960.0 0.059 0.075 0.020 0.000 0.003 0.000 3/19440 970.0 0.058 0.075 0.020 0.000 0.003 0.000 3/19440 980.0 0.058 0.074 0.020 0.000 0.003 0.000 3/19440 990.0 0.057 0.073 0.020 0.000 0.003 0.000 3/19440 1000.0 0.057 0.072 0.019 0.000 0.003 0.000 3/19440 Thermal conductivity related properties were written into "kappa-m994.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:21:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|