----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 08:46:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.080438379999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.567130579999999 0.000000000000000 c 0.000000000000000 0.000000000000000 7.277210669999998 Atomic positions (fractional): *1 Tl 0.18536409600349 0.25000000000000 0.16330712723694 204.383 2 Tl 0.81463590399651 0.75000000000000 0.83669287276306 204.383 3 Tl 0.31463590399651 0.75000000000000 0.66330712723694 204.383 4 Tl 0.68536409600349 0.25000000000000 0.33669287276305 204.383 *5 B 0.06281105786131 0.25000000000000 0.69247836544038 10.811 6 B 0.93718894213869 0.75000000000000 0.30752163455962 10.811 7 B 0.43718894213869 0.75000000000000 0.19247836544038 10.811 8 B 0.56281105786131 0.25000000000000 0.80752163455962 10.811 *9 F 0.17599866093891 0.25000000000000 0.55988241690141 18.998 10 F 0.82400133906109 0.75000000000000 0.44011758309859 18.998 11 F 0.32400133906109 0.75000000000000 0.05988241690141 18.998 12 F 0.67599866093891 0.25000000000000 0.94011758309859 18.998 *13 F 0.92353570892773 0.25000000000000 0.61002385417625 18.998 14 F 0.07646429107227 0.75000000000000 0.38997614582375 18.998 15 F 0.57646429107227 0.75000000000000 0.11002385417625 18.998 16 F 0.42353570892773 0.25000000000000 0.88997614582375 18.998 *17 F 0.07809048178265 0.04307553060101 0.80557916221246 18.998 18 F 0.92190951821735 0.54307553060101 0.19442083778754 18.998 19 F 0.42190951821735 0.95692446939899 0.30557916221246 18.998 20 F 0.57809048178265 0.45692446939899 0.69442083778754 18.998 21 F 0.92190951821735 0.95692446939899 0.19442083778754 18.998 22 F 0.07809048178265 0.45692446939899 0.80557916221246 18.998 23 F 0.57809048178265 0.04307553060101 0.69442083778754 18.998 24 F 0.42190951821735 0.54307553060101 0.30557916221246 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.080438379999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.567130579999999 0.000000000000000 c 0.000000000000000 0.000000000000000 7.277210669999998 Atomic positions (fractional): *1 Tl 0.18536409600349 0.25000000000000 0.16330712723694 204.383 > 1 2 Tl 0.81463590399651 0.75000000000000 0.83669287276306 204.383 > 2 3 Tl 0.31463590399651 0.75000000000000 0.66330712723694 204.383 > 3 4 Tl 0.68536409600349 0.25000000000000 0.33669287276305 204.383 > 4 *5 B 0.06281105786131 0.25000000000000 0.69247836544038 10.811 > 5 6 B 0.93718894213869 0.75000000000000 0.30752163455962 10.811 > 6 7 B 0.43718894213869 0.75000000000000 0.19247836544038 10.811 > 7 8 B 0.56281105786131 0.25000000000000 0.80752163455962 10.811 > 8 *9 F 0.17599866093891 0.25000000000000 0.55988241690141 18.998 > 9 10 F 0.82400133906109 0.75000000000000 0.44011758309859 18.998 > 10 11 F 0.32400133906109 0.75000000000000 0.05988241690141 18.998 > 11 12 F 0.67599866093891 0.25000000000000 0.94011758309859 18.998 > 12 *13 F 0.92353570892773 0.25000000000000 0.61002385417625 18.998 > 13 14 F 0.07646429107227 0.75000000000000 0.38997614582375 18.998 > 14 15 F 0.57646429107227 0.75000000000000 0.11002385417625 18.998 > 15 16 F 0.42353570892773 0.25000000000000 0.88997614582375 18.998 > 16 *17 F 0.07809048178265 0.04307553060101 0.80557916221246 18.998 > 17 18 F 0.92190951821735 0.54307553060101 0.19442083778754 18.998 > 18 19 F 0.42190951821735 0.95692446939899 0.30557916221246 18.998 > 19 20 F 0.57809048178265 0.45692446939899 0.69442083778754 18.998 > 20 21 F 0.92190951821735 0.95692446939899 0.19442083778754 18.998 > 21 22 F 0.07809048178265 0.45692446939899 0.80557916221246 18.998 > 22 23 F 0.57809048178265 0.04307553060101 0.69442083778754 18.998 > 23 24 F 0.42190951821735 0.54307553060101 0.30557916221246 18.998 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.080438379999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.134261159999998 0.000000000000000 c 0.000000000000000 0.000000000000000 14.554421339999996 Atomic positions (fractional): *1 Tl 0.18536409600349 0.12500000000000 0.08165356361847 204.383 > 1 2 Tl 0.18536409600349 0.62500000000000 0.08165356361847 204.383 > 1 3 Tl 0.18536409600349 0.12500000000000 0.58165356361847 204.383 > 1 4 Tl 0.18536409600349 0.62500000000000 0.58165356361847 204.383 > 1 5 Tl 0.81463590399651 0.37500000000000 0.41834643638153 204.383 > 2 6 Tl 0.81463590399651 0.87500000000000 0.41834643638153 204.383 > 2 7 Tl 0.81463590399651 0.37500000000000 0.91834643638153 204.383 > 2 8 Tl 0.81463590399651 0.87500000000000 0.91834643638153 204.383 > 2 9 Tl 0.31463590399651 0.37500000000000 0.33165356361847 204.383 > 3 10 Tl 0.31463590399651 0.87500000000000 0.33165356361847 204.383 > 3 11 Tl 0.31463590399651 0.37500000000000 0.83165356361847 204.383 > 3 12 Tl 0.31463590399651 0.87500000000000 0.83165356361847 204.383 > 3 13 Tl 0.68536409600349 0.12500000000000 0.16834643638153 204.383 > 4 14 Tl 0.68536409600349 0.62500000000000 0.16834643638153 204.383 > 4 15 Tl 0.68536409600349 0.12500000000000 0.66834643638153 204.383 > 4 16 Tl 0.68536409600349 0.62500000000000 0.66834643638153 204.383 > 4 *17 B 0.06281105786131 0.12500000000000 0.34623918272019 10.811 > 5 18 B 0.06281105786131 0.62500000000000 0.34623918272019 10.811 > 5 19 B 0.06281105786131 0.12500000000000 0.84623918272019 10.811 > 5 20 B 0.06281105786131 0.62500000000000 0.84623918272019 10.811 > 5 21 B 0.93718894213869 0.37500000000000 0.15376081727981 10.811 > 6 22 B 0.93718894213869 0.87500000000000 0.15376081727981 10.811 > 6 23 B 0.93718894213869 0.37500000000000 0.65376081727981 10.811 > 6 24 B 0.93718894213869 0.87500000000000 0.65376081727981 10.811 > 6 25 B 0.43718894213869 0.37500000000000 0.09623918272019 10.811 > 7 26 B 0.43718894213869 0.87500000000000 0.09623918272019 10.811 > 7 27 B 0.43718894213869 0.37500000000000 0.59623918272019 10.811 > 7 28 B 0.43718894213869 0.87500000000000 0.59623918272019 10.811 > 7 29 B 0.56281105786131 0.12500000000000 0.40376081727981 10.811 > 8 30 B 0.56281105786131 0.62500000000000 0.40376081727981 10.811 > 8 31 B 0.56281105786131 0.12500000000000 0.90376081727981 10.811 > 8 32 B 0.56281105786131 0.62500000000000 0.90376081727981 10.811 > 8 *33 F 0.17599866093891 0.12500000000000 0.27994120845071 18.998 > 9 34 F 0.17599866093891 0.62500000000000 0.27994120845071 18.998 > 9 35 F 0.17599866093891 0.12500000000000 0.77994120845071 18.998 > 9 36 F 0.17599866093891 0.62500000000000 0.77994120845071 18.998 > 9 37 F 0.82400133906109 0.37500000000000 0.22005879154929 18.998 > 10 38 F 0.82400133906109 0.87500000000000 0.22005879154929 18.998 > 10 39 F 0.82400133906109 0.37500000000000 0.72005879154929 18.998 > 10 40 F 0.82400133906109 0.87500000000000 0.72005879154929 18.998 > 10 41 F 0.32400133906109 0.37500000000000 0.02994120845071 18.998 > 11 42 F 0.32400133906109 0.87500000000000 0.02994120845071 18.998 > 11 43 F 0.32400133906109 0.37500000000000 0.52994120845071 18.998 > 11 44 F 0.32400133906109 0.87500000000000 0.52994120845071 18.998 > 11 45 F 0.67599866093891 0.12500000000000 0.47005879154929 18.998 > 12 46 F 0.67599866093891 0.62500000000000 0.47005879154929 18.998 > 12 47 F 0.67599866093891 0.12500000000000 0.97005879154929 18.998 > 12 48 F 0.67599866093891 0.62500000000000 0.97005879154929 18.998 > 12 *49 F 0.92353570892773 0.12500000000000 0.30501192708813 18.998 > 13 50 F 0.92353570892773 0.62500000000000 0.30501192708813 18.998 > 13 51 F 0.92353570892773 0.12500000000000 0.80501192708813 18.998 > 13 52 F 0.92353570892773 0.62500000000000 0.80501192708813 18.998 > 13 53 F 0.07646429107227 0.37500000000000 0.19498807291187 18.998 > 14 54 F 0.07646429107227 0.87500000000000 0.19498807291187 18.998 > 14 55 F 0.07646429107227 0.37500000000000 0.69498807291187 18.998 > 14 56 F 0.07646429107227 0.87500000000000 0.69498807291187 18.998 > 14 57 F 0.57646429107227 0.37500000000000 0.05501192708813 18.998 > 15 58 F 0.57646429107227 0.87500000000000 0.05501192708813 18.998 > 15 59 F 0.57646429107227 0.37500000000000 0.55501192708813 18.998 > 15 60 F 0.57646429107227 0.87500000000000 0.55501192708813 18.998 > 15 61 F 0.42353570892773 0.12500000000000 0.44498807291187 18.998 > 16 62 F 0.42353570892773 0.62500000000000 0.44498807291187 18.998 > 16 63 F 0.42353570892773 0.12500000000000 0.94498807291187 18.998 > 16 64 F 0.42353570892773 0.62500000000000 0.94498807291187 18.998 > 16 *65 F 0.07809048178265 0.02153776530050 0.40278958110623 18.998 > 17 66 F 0.07809048178265 0.52153776530050 0.40278958110623 18.998 > 17 67 F 0.07809048178265 0.02153776530050 0.90278958110623 18.998 > 17 68 F 0.07809048178265 0.52153776530050 0.90278958110623 18.998 > 17 69 F 0.92190951821735 0.27153776530050 0.09721041889377 18.998 > 18 70 F 0.92190951821735 0.77153776530050 0.09721041889377 18.998 > 18 71 F 0.92190951821735 0.27153776530050 0.59721041889377 18.998 > 18 72 F 0.92190951821735 0.77153776530050 0.59721041889377 18.998 > 18 73 F 0.42190951821735 0.47846223469950 0.15278958110623 18.998 > 19 74 F 0.42190951821735 0.97846223469950 0.15278958110623 18.998 > 19 75 F 0.42190951821735 0.47846223469950 0.65278958110623 18.998 > 19 76 F 0.42190951821735 0.97846223469950 0.65278958110623 18.998 > 19 77 F 0.57809048178265 0.22846223469950 0.34721041889377 18.998 > 20 78 F 0.57809048178265 0.72846223469950 0.34721041889377 18.998 > 20 79 F 0.57809048178265 0.22846223469950 0.84721041889377 18.998 > 20 80 F 0.57809048178265 0.72846223469950 0.84721041889377 18.998 > 20 81 F 0.92190951821735 0.47846223469950 0.09721041889377 18.998 > 21 82 F 0.92190951821735 0.97846223469950 0.09721041889377 18.998 > 21 83 F 0.92190951821735 0.47846223469950 0.59721041889377 18.998 > 21 84 F 0.92190951821735 0.97846223469950 0.59721041889377 18.998 > 21 85 F 0.07809048178265 0.22846223469950 0.40278958110623 18.998 > 22 86 F 0.07809048178265 0.72846223469950 0.40278958110623 18.998 > 22 87 F 0.07809048178265 0.22846223469950 0.90278958110623 18.998 > 22 88 F 0.07809048178265 0.72846223469950 0.90278958110623 18.998 > 22 89 F 0.57809048178265 0.02153776530050 0.34721041889377 18.998 > 23 90 F 0.57809048178265 0.52153776530050 0.34721041889377 18.998 > 23 91 F 0.57809048178265 0.02153776530050 0.84721041889377 18.998 > 23 92 F 0.57809048178265 0.52153776530050 0.84721041889377 18.998 > 23 93 F 0.42190951821735 0.27153776530050 0.15278958110623 18.998 > 24 94 F 0.42190951821735 0.77153776530050 0.15278958110623 18.998 > 24 95 F 0.42190951821735 0.27153776530050 0.65278958110623 18.998 > 24 96 F 0.42190951821735 0.77153776530050 0.65278958110623 18.998 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3882782 0.0000000 0.0000000 0.0000000 2.3679453 0.0000000 0.0000000 0.0000000 2.3654134 -------------------------- Born effective charges -------------------------- 1 Tl 1.7421220 0.0000000 0.0178766 0.0000000 1.5562007 0.0000000 0.0176667 0.0000000 1.6526793 2 Tl 1.7421220 0.0000000 0.0178766 0.0000000 1.5562007 0.0000000 0.0176667 0.0000000 1.6526793 3 Tl 1.7421220 0.0000000 -0.0178766 0.0000000 1.5562007 0.0000000 -0.0176667 0.0000000 1.6526793 4 Tl 1.7421220 0.0000000 -0.0178766 0.0000000 1.5562007 0.0000000 -0.0176667 0.0000000 1.6526793 5 B 2.3885109 0.0000000 0.0463316 0.0000000 2.4650327 0.0000000 -0.0472481 0.0000000 2.3350922 6 B 2.3885109 0.0000000 0.0463316 0.0000000 2.4650327 0.0000000 -0.0472481 0.0000000 2.3350922 7 B 2.3885109 0.0000000 -0.0463316 0.0000000 2.4650327 0.0000000 0.0472481 0.0000000 2.3350922 8 B 2.3885109 0.0000000 -0.0463316 0.0000000 2.4650327 0.0000000 0.0472481 0.0000000 2.3350922 9 F -0.9692575 0.0000000 0.3832322 0.0000000 -0.8059575 0.0000000 0.3804240 0.0000000 -1.2058949 10 F -0.9692575 0.0000000 0.3832322 0.0000000 -0.8059575 0.0000000 0.3804240 0.0000000 -1.2058949 11 F -0.9692575 0.0000000 -0.3832322 0.0000000 -0.8059575 0.0000000 -0.3804240 0.0000000 -1.2058949 12 F -0.9692575 0.0000000 -0.3832322 0.0000000 -0.8059575 0.0000000 -0.3804240 0.0000000 -1.2058949 13 F -1.3566715 0.0000000 -0.4009657 0.0000000 -0.6832505 0.0000000 -0.3721816 0.0000000 -0.8247220 14 F -1.3566715 0.0000000 -0.4009657 0.0000000 -0.6832505 0.0000000 -0.3721816 0.0000000 -0.8247220 15 F -1.3566715 0.0000000 0.4009657 0.0000000 -0.6832505 0.0000000 0.3721816 0.0000000 -0.8247220 16 F -1.3566715 0.0000000 0.4009657 0.0000000 -0.6832505 0.0000000 0.3721816 0.0000000 -0.8247220 17 F -0.9023519 0.0353198 -0.0300793 0.0160190 -1.2660127 0.2428269 0.0001667 0.2544103 -0.9785773 18 F -0.9023519 -0.0353198 -0.0300793 -0.0160190 -1.2660127 -0.2428269 0.0001667 -0.2544103 -0.9785773 19 F -0.9023519 0.0353198 0.0300793 0.0160190 -1.2660127 -0.2428269 -0.0001667 -0.2544103 -0.9785773 20 F -0.9023519 -0.0353198 0.0300793 -0.0160190 -1.2660127 0.2428269 -0.0001667 0.2544103 -0.9785773 21 F -0.9023519 0.0353198 -0.0300793 0.0160190 -1.2660127 0.2428269 0.0001667 0.2544103 -0.9785773 22 F -0.9023519 -0.0353198 -0.0300793 -0.0160190 -1.2660127 -0.2428269 0.0001667 -0.2544103 -0.9785773 23 F -0.9023519 0.0353198 0.0300793 0.0160190 -1.2660127 -0.2428269 -0.0001667 -0.2544103 -0.9785773 24 F -0.9023519 -0.0353198 0.0300793 -0.0160190 -1.2660127 0.2428269 -0.0001667 0.2544103 -0.9785773 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1418 Number of blocks in projector: 1418 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: 352 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 206 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 206 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 206 Use standard eigh solver. Tree of FC basis block matrices: - (1418, 1389), data: False |-- (206, 201), data: True |-- (206, 201), data: True |-- (206, 201), data: True |-- (224, 222), data: True |-- (224, 222), data: True |-- (352, 342), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 400 - Time: 1.608 Solver_block: 200 / 400 - Time: 1.568 Solver_block: 300 / 400 - Time: 1.567 Solver_block: 400 / 400 - Time: 1.564 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.341 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1418 Number of blocks in projector: 1418 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: 352 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 206 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 206 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 206 Use standard eigh solver. Tree of FC basis block matrices: - (1418, 1389), data: False |-- (206, 201), data: True |-- (206, 201), data: True |-- (206, 201), data: True |-- (224, 222), data: True |-- (224, 222), data: True |-- (352, 342), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 08:46:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:46:55]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.080438379999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.567130579999999 0.000000000000000 c 0.000000000000000 0.000000000000000 7.277210669999998 Atomic positions (fractional): 1 Tl 0.18536409600349 0.25000000000000 0.16330712723694 204.383 2 Tl 0.81463590399651 0.75000000000000 0.83669287276306 204.383 3 Tl 0.31463590399651 0.75000000000000 0.66330712723694 204.383 4 Tl 0.68536409600349 0.25000000000000 0.33669287276305 204.383 5 B 0.06281105786131 0.25000000000000 0.69247836544038 10.811 6 B 0.93718894213869 0.75000000000000 0.30752163455962 10.811 7 B 0.43718894213869 0.75000000000000 0.19247836544038 10.811 8 B 0.56281105786131 0.25000000000000 0.80752163455962 10.811 9 F 0.17599866093891 0.25000000000000 0.55988241690141 18.998 10 F 0.82400133906109 0.75000000000000 0.44011758309859 18.998 11 F 0.32400133906109 0.75000000000000 0.05988241690141 18.998 12 F 0.67599866093891 0.25000000000000 0.94011758309859 18.998 13 F 0.92353570892773 0.25000000000000 0.61002385417625 18.998 14 F 0.07646429107227 0.75000000000000 0.38997614582375 18.998 15 F 0.57646429107227 0.75000000000000 0.11002385417625 18.998 16 F 0.42353570892773 0.25000000000000 0.88997614582375 18.998 17 F 0.07809048178265 0.04307553060101 0.80557916221246 18.998 18 F 0.92190951821735 0.54307553060101 0.19442083778754 18.998 19 F 0.42190951821735 0.95692446939899 0.30557916221246 18.998 20 F 0.57809048178265 0.45692446939899 0.69442083778754 18.998 21 F 0.92190951821735 0.95692446939899 0.19442083778754 18.998 22 F 0.07809048178265 0.45692446939899 0.80557916221246 18.998 23 F 0.57809048178265 0.04307553060101 0.69442083778754 18.998 24 F 0.42190951821735 0.54307553060101 0.30557916221246 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.080438379999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.134261159999998 0.000000000000000 c 0.000000000000000 0.000000000000000 14.554421339999996 Atomic positions (fractional): 1 Tl 0.18536409600349 0.12500000000000 0.08165356361847 204.383 > 1 2 Tl 0.18536409600349 0.62500000000000 0.08165356361847 204.383 > 1 3 Tl 0.18536409600349 0.12500000000000 0.58165356361847 204.383 > 1 4 Tl 0.18536409600349 0.62500000000000 0.58165356361847 204.383 > 1 5 Tl 0.81463590399651 0.37500000000000 0.41834643638153 204.383 > 5 6 Tl 0.81463590399651 0.87500000000000 0.41834643638153 204.383 > 5 7 Tl 0.81463590399651 0.37500000000000 0.91834643638153 204.383 > 5 8 Tl 0.81463590399651 0.87500000000000 0.91834643638153 204.383 > 5 9 Tl 0.31463590399651 0.37500000000000 0.33165356361847 204.383 > 9 10 Tl 0.31463590399651 0.87500000000000 0.33165356361847 204.383 > 9 11 Tl 0.31463590399651 0.37500000000000 0.83165356361847 204.383 > 9 12 Tl 0.31463590399651 0.87500000000000 0.83165356361847 204.383 > 9 13 Tl 0.68536409600349 0.12500000000000 0.16834643638153 204.383 > 13 14 Tl 0.68536409600349 0.62500000000000 0.16834643638153 204.383 > 13 15 Tl 0.68536409600349 0.12500000000000 0.66834643638153 204.383 > 13 16 Tl 0.68536409600349 0.62500000000000 0.66834643638153 204.383 > 13 17 B 0.06281105786131 0.12500000000000 0.34623918272019 10.811 > 17 18 B 0.06281105786131 0.62500000000000 0.34623918272019 10.811 > 17 19 B 0.06281105786131 0.12500000000000 0.84623918272019 10.811 > 17 20 B 0.06281105786131 0.62500000000000 0.84623918272019 10.811 > 17 21 B 0.93718894213869 0.37500000000000 0.15376081727981 10.811 > 21 22 B 0.93718894213869 0.87500000000000 0.15376081727981 10.811 > 21 23 B 0.93718894213869 0.37500000000000 0.65376081727981 10.811 > 21 24 B 0.93718894213869 0.87500000000000 0.65376081727981 10.811 > 21 25 B 0.43718894213869 0.37500000000000 0.09623918272019 10.811 > 25 26 B 0.43718894213869 0.87500000000000 0.09623918272019 10.811 > 25 27 B 0.43718894213869 0.37500000000000 0.59623918272019 10.811 > 25 28 B 0.43718894213869 0.87500000000000 0.59623918272019 10.811 > 25 29 B 0.56281105786131 0.12500000000000 0.40376081727981 10.811 > 29 30 B 0.56281105786131 0.62500000000000 0.40376081727981 10.811 > 29 31 B 0.56281105786131 0.12500000000000 0.90376081727981 10.811 > 29 32 B 0.56281105786131 0.62500000000000 0.90376081727981 10.811 > 29 33 F 0.17599866093891 0.12500000000000 0.27994120845071 18.998 > 33 34 F 0.17599866093891 0.62500000000000 0.27994120845071 18.998 > 33 35 F 0.17599866093891 0.12500000000000 0.77994120845071 18.998 > 33 36 F 0.17599866093891 0.62500000000000 0.77994120845071 18.998 > 33 37 F 0.82400133906109 0.37500000000000 0.22005879154929 18.998 > 37 38 F 0.82400133906109 0.87500000000000 0.22005879154929 18.998 > 37 39 F 0.82400133906109 0.37500000000000 0.72005879154929 18.998 > 37 40 F 0.82400133906109 0.87500000000000 0.72005879154929 18.998 > 37 41 F 0.32400133906109 0.37500000000000 0.02994120845071 18.998 > 41 42 F 0.32400133906109 0.87500000000000 0.02994120845071 18.998 > 41 43 F 0.32400133906109 0.37500000000000 0.52994120845071 18.998 > 41 44 F 0.32400133906109 0.87500000000000 0.52994120845071 18.998 > 41 45 F 0.67599866093891 0.12500000000000 0.47005879154929 18.998 > 45 46 F 0.67599866093891 0.62500000000000 0.47005879154929 18.998 > 45 47 F 0.67599866093891 0.12500000000000 0.97005879154929 18.998 > 45 48 F 0.67599866093891 0.62500000000000 0.97005879154929 18.998 > 45 49 F 0.92353570892773 0.12500000000000 0.30501192708813 18.998 > 49 50 F 0.92353570892773 0.62500000000000 0.30501192708813 18.998 > 49 51 F 0.92353570892773 0.12500000000000 0.80501192708813 18.998 > 49 52 F 0.92353570892773 0.62500000000000 0.80501192708813 18.998 > 49 53 F 0.07646429107227 0.37500000000000 0.19498807291187 18.998 > 53 54 F 0.07646429107227 0.87500000000000 0.19498807291187 18.998 > 53 55 F 0.07646429107227 0.37500000000000 0.69498807291187 18.998 > 53 56 F 0.07646429107227 0.87500000000000 0.69498807291187 18.998 > 53 57 F 0.57646429107227 0.37500000000000 0.05501192708813 18.998 > 57 58 F 0.57646429107227 0.87500000000000 0.05501192708813 18.998 > 57 59 F 0.57646429107227 0.37500000000000 0.55501192708813 18.998 > 57 60 F 0.57646429107227 0.87500000000000 0.55501192708813 18.998 > 57 61 F 0.42353570892773 0.12500000000000 0.44498807291187 18.998 > 61 62 F 0.42353570892773 0.62500000000000 0.44498807291187 18.998 > 61 63 F 0.42353570892773 0.12500000000000 0.94498807291187 18.998 > 61 64 F 0.42353570892773 0.62500000000000 0.94498807291187 18.998 > 61 65 F 0.07809048178265 0.02153776530050 0.40278958110623 18.998 > 65 66 F 0.07809048178265 0.52153776530050 0.40278958110623 18.998 > 65 67 F 0.07809048178265 0.02153776530050 0.90278958110623 18.998 > 65 68 F 0.07809048178265 0.52153776530050 0.90278958110623 18.998 > 65 69 F 0.92190951821735 0.27153776530050 0.09721041889377 18.998 > 69 70 F 0.92190951821735 0.77153776530050 0.09721041889377 18.998 > 69 71 F 0.92190951821735 0.27153776530050 0.59721041889377 18.998 > 69 72 F 0.92190951821735 0.77153776530050 0.59721041889377 18.998 > 69 73 F 0.42190951821735 0.47846223469950 0.15278958110623 18.998 > 73 74 F 0.42190951821735 0.97846223469950 0.15278958110623 18.998 > 73 75 F 0.42190951821735 0.47846223469950 0.65278958110623 18.998 > 73 76 F 0.42190951821735 0.97846223469950 0.65278958110623 18.998 > 73 77 F 0.57809048178265 0.22846223469950 0.34721041889377 18.998 > 77 78 F 0.57809048178265 0.72846223469950 0.34721041889377 18.998 > 77 79 F 0.57809048178265 0.22846223469950 0.84721041889377 18.998 > 77 80 F 0.57809048178265 0.72846223469950 0.84721041889377 18.998 > 77 81 F 0.92190951821735 0.47846223469950 0.09721041889377 18.998 > 81 82 F 0.92190951821735 0.97846223469950 0.09721041889377 18.998 > 81 83 F 0.92190951821735 0.47846223469950 0.59721041889377 18.998 > 81 84 F 0.92190951821735 0.97846223469950 0.59721041889377 18.998 > 81 85 F 0.07809048178265 0.22846223469950 0.40278958110623 18.998 > 85 86 F 0.07809048178265 0.72846223469950 0.40278958110623 18.998 > 85 87 F 0.07809048178265 0.22846223469950 0.90278958110623 18.998 > 85 88 F 0.07809048178265 0.72846223469950 0.90278958110623 18.998 > 85 89 F 0.57809048178265 0.02153776530050 0.34721041889377 18.998 > 89 90 F 0.57809048178265 0.52153776530050 0.34721041889377 18.998 > 89 91 F 0.57809048178265 0.02153776530050 0.84721041889377 18.998 > 89 92 F 0.57809048178265 0.52153776530050 0.84721041889377 18.998 > 89 93 F 0.42190951821735 0.27153776530050 0.15278958110623 18.998 > 93 94 F 0.42190951821735 0.77153776530050 0.15278958110623 18.998 > 93 95 F 0.42190951821735 0.27153776530050 0.65278958110623 18.998 > 93 96 F 0.42190951821735 0.77153776530050 0.65278958110623 18.998 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3882782 0.0000000 0.0000000 0.0000000 2.3679453 0.0000000 0.0000000 0.0000000 2.3654134 -------------------------- Born effective charges -------------------------- 1 Tl 1.7421220 0.0000000 0.0178766 0.0000000 1.5562007 0.0000000 0.0176667 0.0000000 1.6526793 2 Tl 1.7421220 0.0000000 0.0178766 0.0000000 1.5562007 0.0000000 0.0176667 0.0000000 1.6526793 3 Tl 1.7421220 0.0000000 -0.0178766 0.0000000 1.5562007 0.0000000 -0.0176667 0.0000000 1.6526793 4 Tl 1.7421220 0.0000000 -0.0178766 0.0000000 1.5562007 0.0000000 -0.0176667 0.0000000 1.6526793 5 B 2.3885109 0.0000000 0.0463316 0.0000000 2.4650327 0.0000000 -0.0472481 0.0000000 2.3350922 6 B 2.3885109 0.0000000 0.0463316 0.0000000 2.4650327 0.0000000 -0.0472481 0.0000000 2.3350922 7 B 2.3885109 0.0000000 -0.0463316 0.0000000 2.4650327 0.0000000 0.0472481 0.0000000 2.3350922 8 B 2.3885109 0.0000000 -0.0463316 0.0000000 2.4650327 0.0000000 0.0472481 0.0000000 2.3350922 9 F -0.9692575 0.0000000 0.3832322 0.0000000 -0.8059575 0.0000000 0.3804240 0.0000000 -1.2058949 10 F -0.9692575 0.0000000 0.3832322 0.0000000 -0.8059575 0.0000000 0.3804240 0.0000000 -1.2058949 11 F -0.9692575 0.0000000 -0.3832322 0.0000000 -0.8059575 0.0000000 -0.3804240 0.0000000 -1.2058949 12 F -0.9692575 0.0000000 -0.3832322 0.0000000 -0.8059575 0.0000000 -0.3804240 0.0000000 -1.2058949 13 F -1.3566715 0.0000000 -0.4009657 0.0000000 -0.6832505 0.0000000 -0.3721816 0.0000000 -0.8247220 14 F -1.3566715 0.0000000 -0.4009657 0.0000000 -0.6832505 0.0000000 -0.3721816 0.0000000 -0.8247220 15 F -1.3566715 0.0000000 0.4009657 0.0000000 -0.6832505 0.0000000 0.3721816 0.0000000 -0.8247220 16 F -1.3566715 0.0000000 0.4009657 0.0000000 -0.6832505 0.0000000 0.3721816 0.0000000 -0.8247220 17 F -0.9023519 0.0353198 -0.0300793 0.0160190 -1.2660127 0.2428269 0.0001667 0.2544103 -0.9785773 18 F -0.9023519 -0.0353198 -0.0300793 -0.0160190 -1.2660127 -0.2428269 0.0001667 -0.2544103 -0.9785773 19 F -0.9023519 0.0353198 0.0300793 0.0160190 -1.2660127 -0.2428269 -0.0001667 -0.2544103 -0.9785773 20 F -0.9023519 -0.0353198 0.0300793 -0.0160190 -1.2660127 0.2428269 -0.0001667 0.2544103 -0.9785773 21 F -0.9023519 0.0353198 -0.0300793 0.0160190 -1.2660127 0.2428269 0.0001667 0.2544103 -0.9785773 22 F -0.9023519 -0.0353198 -0.0300793 -0.0160190 -1.2660127 -0.2428269 0.0001667 -0.2544103 -0.9785773 23 F -0.9023519 0.0353198 0.0300793 0.0160190 -1.2660127 -0.2428269 -0.0001667 -0.2544103 -0.9785773 24 F -0.9023519 -0.0353198 0.0300793 -0.0160190 -1.2660127 0.2428269 -0.0001667 0.2544103 -0.9785773 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000005 (yzy) -0.00000005 (yzy) -0.00000005 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (zx) -0.00000001 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:47:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:47:10]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.080438379999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.567130579999999 0.000000000000000 c 0.000000000000000 0.000000000000000 7.277210669999998 Atomic positions (fractional): 1 Tl 0.18536409600349 0.25000000000000 0.16330712723694 204.383 2 Tl 0.81463590399651 0.75000000000000 0.83669287276306 204.383 3 Tl 0.31463590399651 0.75000000000000 0.66330712723694 204.383 4 Tl 0.68536409600349 0.25000000000000 0.33669287276305 204.383 5 B 0.06281105786131 0.25000000000000 0.69247836544038 10.811 6 B 0.93718894213869 0.75000000000000 0.30752163455962 10.811 7 B 0.43718894213869 0.75000000000000 0.19247836544038 10.811 8 B 0.56281105786131 0.25000000000000 0.80752163455962 10.811 9 F 0.17599866093891 0.25000000000000 0.55988241690141 18.998 10 F 0.82400133906109 0.75000000000000 0.44011758309859 18.998 11 F 0.32400133906109 0.75000000000000 0.05988241690141 18.998 12 F 0.67599866093891 0.25000000000000 0.94011758309859 18.998 13 F 0.92353570892773 0.25000000000000 0.61002385417625 18.998 14 F 0.07646429107227 0.75000000000000 0.38997614582375 18.998 15 F 0.57646429107227 0.75000000000000 0.11002385417625 18.998 16 F 0.42353570892773 0.25000000000000 0.88997614582375 18.998 17 F 0.07809048178265 0.04307553060101 0.80557916221246 18.998 18 F 0.92190951821735 0.54307553060101 0.19442083778754 18.998 19 F 0.42190951821735 0.95692446939899 0.30557916221246 18.998 20 F 0.57809048178265 0.45692446939899 0.69442083778754 18.998 21 F 0.92190951821735 0.95692446939899 0.19442083778754 18.998 22 F 0.07809048178265 0.45692446939899 0.80557916221246 18.998 23 F 0.57809048178265 0.04307553060101 0.69442083778754 18.998 24 F 0.42190951821735 0.54307553060101 0.30557916221246 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.080438379999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.134261159999998 0.000000000000000 c 0.000000000000000 0.000000000000000 14.554421339999996 Atomic positions (fractional): 1 Tl 0.18536409600349 0.12500000000000 0.08165356361847 204.383 > 1 2 Tl 0.18536409600349 0.62500000000000 0.08165356361847 204.383 > 1 3 Tl 0.18536409600349 0.12500000000000 0.58165356361847 204.383 > 1 4 Tl 0.18536409600349 0.62500000000000 0.58165356361847 204.383 > 1 5 Tl 0.81463590399651 0.37500000000000 0.41834643638153 204.383 > 5 6 Tl 0.81463590399651 0.87500000000000 0.41834643638153 204.383 > 5 7 Tl 0.81463590399651 0.37500000000000 0.91834643638153 204.383 > 5 8 Tl 0.81463590399651 0.87500000000000 0.91834643638153 204.383 > 5 9 Tl 0.31463590399651 0.37500000000000 0.33165356361847 204.383 > 9 10 Tl 0.31463590399651 0.87500000000000 0.33165356361847 204.383 > 9 11 Tl 0.31463590399651 0.37500000000000 0.83165356361847 204.383 > 9 12 Tl 0.31463590399651 0.87500000000000 0.83165356361847 204.383 > 9 13 Tl 0.68536409600349 0.12500000000000 0.16834643638153 204.383 > 13 14 Tl 0.68536409600349 0.62500000000000 0.16834643638153 204.383 > 13 15 Tl 0.68536409600349 0.12500000000000 0.66834643638153 204.383 > 13 16 Tl 0.68536409600349 0.62500000000000 0.66834643638153 204.383 > 13 17 B 0.06281105786131 0.12500000000000 0.34623918272019 10.811 > 17 18 B 0.06281105786131 0.62500000000000 0.34623918272019 10.811 > 17 19 B 0.06281105786131 0.12500000000000 0.84623918272019 10.811 > 17 20 B 0.06281105786131 0.62500000000000 0.84623918272019 10.811 > 17 21 B 0.93718894213869 0.37500000000000 0.15376081727981 10.811 > 21 22 B 0.93718894213869 0.87500000000000 0.15376081727981 10.811 > 21 23 B 0.93718894213869 0.37500000000000 0.65376081727981 10.811 > 21 24 B 0.93718894213869 0.87500000000000 0.65376081727981 10.811 > 21 25 B 0.43718894213869 0.37500000000000 0.09623918272019 10.811 > 25 26 B 0.43718894213869 0.87500000000000 0.09623918272019 10.811 > 25 27 B 0.43718894213869 0.37500000000000 0.59623918272019 10.811 > 25 28 B 0.43718894213869 0.87500000000000 0.59623918272019 10.811 > 25 29 B 0.56281105786131 0.12500000000000 0.40376081727981 10.811 > 29 30 B 0.56281105786131 0.62500000000000 0.40376081727981 10.811 > 29 31 B 0.56281105786131 0.12500000000000 0.90376081727981 10.811 > 29 32 B 0.56281105786131 0.62500000000000 0.90376081727981 10.811 > 29 33 F 0.17599866093891 0.12500000000000 0.27994120845071 18.998 > 33 34 F 0.17599866093891 0.62500000000000 0.27994120845071 18.998 > 33 35 F 0.17599866093891 0.12500000000000 0.77994120845071 18.998 > 33 36 F 0.17599866093891 0.62500000000000 0.77994120845071 18.998 > 33 37 F 0.82400133906109 0.37500000000000 0.22005879154929 18.998 > 37 38 F 0.82400133906109 0.87500000000000 0.22005879154929 18.998 > 37 39 F 0.82400133906109 0.37500000000000 0.72005879154929 18.998 > 37 40 F 0.82400133906109 0.87500000000000 0.72005879154929 18.998 > 37 41 F 0.32400133906109 0.37500000000000 0.02994120845071 18.998 > 41 42 F 0.32400133906109 0.87500000000000 0.02994120845071 18.998 > 41 43 F 0.32400133906109 0.37500000000000 0.52994120845071 18.998 > 41 44 F 0.32400133906109 0.87500000000000 0.52994120845071 18.998 > 41 45 F 0.67599866093891 0.12500000000000 0.47005879154929 18.998 > 45 46 F 0.67599866093891 0.62500000000000 0.47005879154929 18.998 > 45 47 F 0.67599866093891 0.12500000000000 0.97005879154929 18.998 > 45 48 F 0.67599866093891 0.62500000000000 0.97005879154929 18.998 > 45 49 F 0.92353570892773 0.12500000000000 0.30501192708813 18.998 > 49 50 F 0.92353570892773 0.62500000000000 0.30501192708813 18.998 > 49 51 F 0.92353570892773 0.12500000000000 0.80501192708813 18.998 > 49 52 F 0.92353570892773 0.62500000000000 0.80501192708813 18.998 > 49 53 F 0.07646429107227 0.37500000000000 0.19498807291187 18.998 > 53 54 F 0.07646429107227 0.87500000000000 0.19498807291187 18.998 > 53 55 F 0.07646429107227 0.37500000000000 0.69498807291187 18.998 > 53 56 F 0.07646429107227 0.87500000000000 0.69498807291187 18.998 > 53 57 F 0.57646429107227 0.37500000000000 0.05501192708813 18.998 > 57 58 F 0.57646429107227 0.87500000000000 0.05501192708813 18.998 > 57 59 F 0.57646429107227 0.37500000000000 0.55501192708813 18.998 > 57 60 F 0.57646429107227 0.87500000000000 0.55501192708813 18.998 > 57 61 F 0.42353570892773 0.12500000000000 0.44498807291187 18.998 > 61 62 F 0.42353570892773 0.62500000000000 0.44498807291187 18.998 > 61 63 F 0.42353570892773 0.12500000000000 0.94498807291187 18.998 > 61 64 F 0.42353570892773 0.62500000000000 0.94498807291187 18.998 > 61 65 F 0.07809048178265 0.02153776530050 0.40278958110623 18.998 > 65 66 F 0.07809048178265 0.52153776530050 0.40278958110623 18.998 > 65 67 F 0.07809048178265 0.02153776530050 0.90278958110623 18.998 > 65 68 F 0.07809048178265 0.52153776530050 0.90278958110623 18.998 > 65 69 F 0.92190951821735 0.27153776530050 0.09721041889377 18.998 > 69 70 F 0.92190951821735 0.77153776530050 0.09721041889377 18.998 > 69 71 F 0.92190951821735 0.27153776530050 0.59721041889377 18.998 > 69 72 F 0.92190951821735 0.77153776530050 0.59721041889377 18.998 > 69 73 F 0.42190951821735 0.47846223469950 0.15278958110623 18.998 > 73 74 F 0.42190951821735 0.97846223469950 0.15278958110623 18.998 > 73 75 F 0.42190951821735 0.47846223469950 0.65278958110623 18.998 > 73 76 F 0.42190951821735 0.97846223469950 0.65278958110623 18.998 > 73 77 F 0.57809048178265 0.22846223469950 0.34721041889377 18.998 > 77 78 F 0.57809048178265 0.72846223469950 0.34721041889377 18.998 > 77 79 F 0.57809048178265 0.22846223469950 0.84721041889377 18.998 > 77 80 F 0.57809048178265 0.72846223469950 0.84721041889377 18.998 > 77 81 F 0.92190951821735 0.47846223469950 0.09721041889377 18.998 > 81 82 F 0.92190951821735 0.97846223469950 0.09721041889377 18.998 > 81 83 F 0.92190951821735 0.47846223469950 0.59721041889377 18.998 > 81 84 F 0.92190951821735 0.97846223469950 0.59721041889377 18.998 > 81 85 F 0.07809048178265 0.22846223469950 0.40278958110623 18.998 > 85 86 F 0.07809048178265 0.72846223469950 0.40278958110623 18.998 > 85 87 F 0.07809048178265 0.22846223469950 0.90278958110623 18.998 > 85 88 F 0.07809048178265 0.72846223469950 0.90278958110623 18.998 > 85 89 F 0.57809048178265 0.02153776530050 0.34721041889377 18.998 > 89 90 F 0.57809048178265 0.52153776530050 0.34721041889377 18.998 > 89 91 F 0.57809048178265 0.02153776530050 0.84721041889377 18.998 > 89 92 F 0.57809048178265 0.52153776530050 0.84721041889377 18.998 > 89 93 F 0.42190951821735 0.27153776530050 0.15278958110623 18.998 > 93 94 F 0.42190951821735 0.77153776530050 0.15278958110623 18.998 > 93 95 F 0.42190951821735 0.27153776530050 0.65278958110623 18.998 > 93 96 F 0.42190951821735 0.77153776530050 0.65278958110623 18.998 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.3882782 0.0000000 0.0000000 0.0000000 2.3679453 0.0000000 0.0000000 0.0000000 2.3654134 -------------------------- Born effective charges -------------------------- 1 Tl 1.7421220 0.0000000 0.0178766 0.0000000 1.5562007 0.0000000 0.0176667 0.0000000 1.6526793 2 Tl 1.7421220 0.0000000 0.0178766 0.0000000 1.5562007 0.0000000 0.0176667 0.0000000 1.6526793 3 Tl 1.7421220 0.0000000 -0.0178766 0.0000000 1.5562007 0.0000000 -0.0176667 0.0000000 1.6526793 4 Tl 1.7421220 0.0000000 -0.0178766 0.0000000 1.5562007 0.0000000 -0.0176667 0.0000000 1.6526793 5 B 2.3885109 0.0000000 0.0463316 0.0000000 2.4650327 0.0000000 -0.0472481 0.0000000 2.3350922 6 B 2.3885109 0.0000000 0.0463316 0.0000000 2.4650327 0.0000000 -0.0472481 0.0000000 2.3350922 7 B 2.3885109 0.0000000 -0.0463316 0.0000000 2.4650327 0.0000000 0.0472481 0.0000000 2.3350922 8 B 2.3885109 0.0000000 -0.0463316 0.0000000 2.4650327 0.0000000 0.0472481 0.0000000 2.3350922 9 F -0.9692575 0.0000000 0.3832322 0.0000000 -0.8059575 0.0000000 0.3804240 0.0000000 -1.2058949 10 F -0.9692575 0.0000000 0.3832322 0.0000000 -0.8059575 0.0000000 0.3804240 0.0000000 -1.2058949 11 F -0.9692575 0.0000000 -0.3832322 0.0000000 -0.8059575 0.0000000 -0.3804240 0.0000000 -1.2058949 12 F -0.9692575 0.0000000 -0.3832322 0.0000000 -0.8059575 0.0000000 -0.3804240 0.0000000 -1.2058949 13 F -1.3566715 0.0000000 -0.4009657 0.0000000 -0.6832505 0.0000000 -0.3721816 0.0000000 -0.8247220 14 F -1.3566715 0.0000000 -0.4009657 0.0000000 -0.6832505 0.0000000 -0.3721816 0.0000000 -0.8247220 15 F -1.3566715 0.0000000 0.4009657 0.0000000 -0.6832505 0.0000000 0.3721816 0.0000000 -0.8247220 16 F -1.3566715 0.0000000 0.4009657 0.0000000 -0.6832505 0.0000000 0.3721816 0.0000000 -0.8247220 17 F -0.9023519 0.0353198 -0.0300793 0.0160190 -1.2660127 0.2428269 0.0001667 0.2544103 -0.9785773 18 F -0.9023519 -0.0353198 -0.0300793 -0.0160190 -1.2660127 -0.2428269 0.0001667 -0.2544103 -0.9785773 19 F -0.9023519 0.0353198 0.0300793 0.0160190 -1.2660127 -0.2428269 -0.0001667 -0.2544103 -0.9785773 20 F -0.9023519 -0.0353198 0.0300793 -0.0160190 -1.2660127 0.2428269 -0.0001667 0.2544103 -0.9785773 21 F -0.9023519 0.0353198 -0.0300793 0.0160190 -1.2660127 0.2428269 0.0001667 0.2544103 -0.9785773 22 F -0.9023519 -0.0353198 -0.0300793 -0.0160190 -1.2660127 -0.2428269 0.0001667 -0.2544103 -0.9785773 23 F -0.9023519 0.0353198 0.0300793 0.0160190 -1.2660127 -0.2428269 -0.0001667 -0.2544103 -0.9785773 24 F -0.9023519 -0.0353198 0.0300793 -0.0160190 -1.2660127 0.2428269 -0.0001667 0.2544103 -0.9785773 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000005 (yzy) -0.00000005 (yzy) -0.00000005 (yyz) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 9 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.58, Number of G-points: 301, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/80) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 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 0.668 ( 0.000 0.000 0.000) 0.000 0.694 ( 0.000 0.000 0.000) 0.000 0.793 ( 0.000 0.000 0.000) 0.000 0.929 ( 0.000 0.000 0.000) 0.000 0.933 ( 0.000 0.000 0.000) 0.000 1.090 ( 0.000 0.000 0.000) 0.000 1.180 ( 0.000 0.000 0.000) 0.000 1.207 ( 0.000 0.000 0.000) 0.000 1.229 ( 0.000 0.000 0.000) 0.000 1.290 ( 0.000 0.000 0.000) 0.000 1.426 ( 0.000 0.000 0.000) 0.000 1.506 ( 0.000 0.000 0.000) 0.000 1.665 ( 0.000 0.000 0.000) 0.000 1.856 ( 0.000 0.000 0.000) 0.000 1.935 ( 0.000 0.000 0.000) 0.000 1.970 ( 0.000 0.000 0.000) 0.000 2.035 ( 0.000 0.000 0.000) 0.000 2.081 ( 0.000 0.000 0.000) 0.000 2.231 ( 0.000 0.000 0.000) 0.000 2.284 ( 0.000 0.000 0.000) 0.000 2.305 ( 0.000 0.000 0.000) 0.000 2.385 ( 0.000 0.000 0.000) 0.000 2.443 ( 0.000 0.000 0.000) 0.000 2.465 ( 0.000 0.000 0.000) 0.000 2.487 ( 0.000 0.000 0.000) 0.000 2.507 ( 0.000 0.000 0.000) 0.000 2.585 ( 0.000 0.000 0.000) 0.000 2.612 ( 0.000 0.000 0.000) 0.000 2.627 ( 0.000 0.000 0.000) 0.000 2.651 ( 0.000 0.000 0.000) 0.000 2.810 ( 0.000 0.000 0.000) 0.000 3.145 ( 0.000 0.000 0.000) 0.000 3.595 ( 0.000 0.000 0.000) 0.000 9.885 ( 0.000 0.000 0.000) 0.000 9.912 ( 0.000 0.000 0.000) 0.000 9.923 ( 0.000 0.000 0.000) 0.000 9.931 ( 0.000 0.000 0.000) 0.000 10.005 ( 0.000 0.000 0.000) 0.000 10.030 ( 0.000 0.000 0.000) 0.000 10.121 ( 0.000 0.000 0.000) 0.000 10.245 ( 0.000 0.000 0.000) 0.000 14.605 ( 0.000 0.000 0.000) 0.000 14.617 ( 0.000 0.000 0.000) 0.000 14.623 ( 0.000 0.000 0.000) 0.000 14.734 ( 0.000 0.000 0.000) 0.000 14.748 ( 0.000 0.000 0.000) 0.000 14.751 ( 0.000 0.000 0.000) 0.000 14.799 ( 0.000 0.000 0.000) 0.000 14.803 ( 0.000 0.000 0.000) 0.000 14.895 ( 0.000 0.000 0.000) 0.000 14.916 ( 0.000 0.000 0.000) 0.000 15.014 ( 0.000 0.000 0.000) 0.000 15.080 ( 0.000 0.000 0.000) 0.000 22.216 ( 0.000 0.000 0.000) 0.000 22.225 ( 0.000 0.000 0.000) 0.000 22.251 ( 0.000 0.000 0.000) 0.000 22.274 ( 0.000 0.000 0.000) 0.000 29.383 ( 0.000 0.000 0.000) 0.000 29.437 ( 0.000 0.000 0.000) 0.000 29.691 ( 0.000 0.000 0.000) 0.000 29.934 ( 0.000 0.000 0.000) 0.000 30.303 ( 0.000 0.000 0.000) 0.000 30.466 ( 0.000 0.000 0.000) 0.000 30.594 ( 0.000 0.000 0.000) 0.000 31.270 ( 0.000 0.000 0.000) 0.000 31.664 ( 0.000 0.000 0.000) 0.000 31.792 ( 0.000 0.000 0.000) 0.000 32.304 ( 0.000 0.000 0.000) 0.000 33.857 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/80) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.182 ( 9.908 0.000 0.000) 9.908 0.234 ( 12.182 0.000 0.000) 12.182 0.455 ( 24.181 0.000 0.000) 24.181 0.661 ( -0.373 0.000 0.000) 0.373 0.708 ( 0.945 0.000 0.000) 0.945 0.824 ( -0.650 0.000 0.000) 0.650 0.891 ( -3.808 0.000 0.000) 3.808 0.899 ( 0.852 0.000 0.000) 0.852 1.115 ( 2.063 0.000 0.000) 2.063 1.160 ( -1.961 0.000 0.000) 1.961 1.201 ( -0.596 0.000 0.000) 0.596 1.235 ( -2.101 0.000 0.000) 2.101 1.366 ( 5.320 0.000 0.000) 5.320 1.476 ( -3.400 0.000 0.000) 3.400 1.487 ( 3.819 0.000 0.000) 3.819 1.650 ( -1.741 0.000 0.000) 1.741 1.858 ( 0.193 0.000 0.000) 0.193 1.879 ( -6.384 0.000 0.000) 6.384 1.944 ( -7.817 0.000 0.000) 7.817 1.956 ( -1.479 0.000 0.000) 1.479 2.235 ( 0.433 0.000 0.000) 0.433 2.293 ( -0.626 0.000 0.000) 0.626 2.305 ( -1.302 0.000 0.000) 1.302 2.332 ( 3.699 0.000 0.000) 3.699 2.420 ( 2.943 0.000 0.000) 2.943 2.438 ( -0.703 0.000 0.000) 0.703 2.440 ( -2.848 0.000 0.000) 2.848 2.460 ( -0.600 0.000 0.000) 0.600 2.533 ( 1.187 0.000 0.000) 1.187 2.603 ( -2.436 0.000 0.000) 2.436 2.643 ( 2.892 0.000 0.000) 2.892 2.703 ( 5.217 0.000 0.000) 5.217 2.809 ( -0.287 0.000 0.000) 0.287 3.123 ( -2.348 0.000 0.000) 2.348 3.622 ( 2.827 0.000 0.000) 2.827 3.921 ( -2.168 0.000 0.000) 2.168 9.882 ( -0.128 0.000 0.000) 0.128 9.909 ( -0.335 0.000 0.000) 0.335 9.930 ( 0.752 0.000 0.000) 0.752 9.954 ( 2.364 0.000 0.000) 2.364 10.013 ( 0.899 0.000 0.000) 0.899 10.023 ( -0.767 0.000 0.000) 0.767 10.114 ( -0.762 0.000 0.000) 0.762 10.224 ( -2.354 0.000 0.000) 2.354 14.612 ( 0.731 0.000 0.000) 0.731 14.618 ( 0.031 0.000 0.000) 0.031 14.622 ( -0.047 0.000 0.000) 0.047 14.722 ( -1.228 0.000 0.000) 1.228 14.750 ( 0.142 0.000 0.000) 0.142 14.753 ( 0.206 0.000 0.000) 0.206 14.799 ( 0.007 0.000 0.000) 0.007 14.802 ( -0.045 0.000 0.000) 0.045 14.911 ( 1.645 0.000 0.000) 1.645 15.015 ( 0.034 0.000 0.000) 0.034 15.024 ( 0.043 0.000 0.000) 0.043 15.072 ( -0.876 0.000 0.000) 0.876 22.216 ( 0.007 0.000 0.000) 0.007 22.223 ( -0.136 0.000 0.000) 0.136 22.253 ( 0.211 0.000 0.000) 0.211 22.272 ( -0.132 0.000 0.000) 0.132 29.385 ( 0.175 0.000 0.000) 0.175 29.432 ( -0.538 0.000 0.000) 0.538 29.709 ( 1.913 0.000 0.000) 1.913 29.919 ( -1.613 0.000 0.000) 1.613 30.310 ( 0.795 0.000 0.000) 0.795 30.443 ( -2.020 0.000 0.000) 2.020 30.646 ( 5.151 0.000 0.000) 5.151 31.222 ( -5.062 0.000 0.000) 5.062 31.710 ( 4.842 0.000 0.000) 4.842 32.264 ( -4.330 0.000 0.000) 4.330 33.872 ( 1.474 0.000 0.000) 1.474 34.003 ( -0.787 0.000 0.000) 0.787 ======================= Grid point 2 (3/80) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.363 ( 9.862 0.000 0.000) 9.862 0.437 ( 9.736 0.000 0.000) 9.736 0.650 ( -1.543 0.000 0.000) 1.543 0.711 ( -8.497 0.000 0.000) 8.497 0.722 ( 0.890 0.000 0.000) 0.890 0.816 ( -3.961 0.000 0.000) 3.961 0.874 ( 20.717 0.000 0.000) 20.717 1.006 ( 6.925 0.000 0.000) 6.925 1.119 ( -2.235 0.000 0.000) 2.235 1.150 ( 1.557 0.000 0.000) 1.557 1.188 ( -0.796 0.000 0.000) 0.796 1.227 ( 2.297 0.000 0.000) 2.297 1.377 ( -7.418 0.000 0.000) 7.418 1.486 ( 7.630 0.000 0.000) 7.630 1.562 ( 4.033 0.000 0.000) 4.033 1.580 ( -7.650 0.000 0.000) 7.650 1.723 ( -7.896 0.000 0.000) 7.896 1.796 ( -8.306 0.000 0.000) 8.306 1.866 ( 0.731 0.000 0.000) 0.731 1.922 ( -2.077 0.000 0.000) 2.077 2.246 ( 0.739 0.000 0.000) 0.739 2.281 ( -1.212 0.000 0.000) 1.212 2.295 ( 0.902 0.000 0.000) 0.902 2.377 ( -3.246 0.000 0.000) 3.246 2.390 ( 2.442 0.000 0.000) 2.442 2.445 ( -0.965 0.000 0.000) 0.965 2.446 ( 1.215 0.000 0.000) 1.215 2.474 ( 2.670 0.000 0.000) 2.670 2.542 ( -0.202 0.000 0.000) 0.202 2.549 ( -3.148 0.000 0.000) 3.148 2.703 ( 3.315 0.000 0.000) 3.315 2.794 ( -1.353 0.000 0.000) 1.353 2.822 ( 7.199 0.000 0.000) 7.199 3.058 ( -4.750 0.000 0.000) 4.750 3.692 ( 4.599 0.000 0.000) 4.599 3.864 ( -3.938 0.000 0.000) 3.938 9.883 ( 0.266 0.000 0.000) 0.266 9.901 ( -0.537 0.000 0.000) 0.537 9.950 ( 1.314 0.000 0.000) 1.314 10.003 ( -1.328 0.000 0.000) 1.328 10.012 ( 3.748 0.000 0.000) 3.748 10.036 ( 1.501 0.000 0.000) 1.501 10.094 ( -1.365 0.000 0.000) 1.365 10.165 ( -3.927 0.000 0.000) 3.927 14.618 ( 0.062 0.000 0.000) 0.062 14.621 ( -0.078 0.000 0.000) 0.078 14.632 ( 1.362 0.000 0.000) 1.362 14.694 ( -1.776 0.000 0.000) 1.776 14.753 ( 0.198 0.000 0.000) 0.198 14.756 ( 0.096 0.000 0.000) 0.096 14.800 ( 0.027 0.000 0.000) 0.027 14.801 ( -0.065 0.000 0.000) 0.065 14.951 ( 2.488 0.000 0.000) 2.488 15.014 ( -0.233 0.000 0.000) 0.233 15.025 ( 0.076 0.000 0.000) 0.076 15.049 ( -1.515 0.000 0.000) 1.515 22.217 ( 0.042 0.000 0.000) 0.042 22.221 ( -0.153 0.000 0.000) 0.153 22.258 ( 0.301 0.000 0.000) 0.301 22.269 ( -0.240 0.000 0.000) 0.240 29.391 ( 0.505 0.000 0.000) 0.505 29.419 ( -0.846 0.000 0.000) 0.846 29.756 ( 3.135 0.000 0.000) 3.135 29.877 ( -2.858 0.000 0.000) 2.858 30.331 ( 1.492 0.000 0.000) 1.492 30.403 ( -2.225 0.000 0.000) 2.225 30.769 ( 7.993 0.000 0.000) 7.993 31.095 ( -8.371 0.000 0.000) 8.371 31.832 ( 8.156 0.000 0.000) 8.156 32.152 ( -7.648 0.000 0.000) 7.648 33.907 ( 2.199 0.000 0.000) 2.199 33.981 ( -1.535 0.000 0.000) 1.535 ======================= Grid point 3 (4/80) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( -9.601 0.000 0.000) 9.601 0.543 ( 9.601 0.000 0.000) 9.601 0.583 ( -5.895 0.000 0.000) 5.895 0.583 ( 5.895 0.000 0.000) 5.895 0.754 ( -2.666 0.000 0.000) 2.666 0.754 ( 2.666 0.000 0.000) 2.666 1.079 ( -2.559 0.000 0.000) 2.559 1.079 ( 2.559 0.000 0.000) 2.559 1.172 ( -0.956 0.000 0.000) 0.956 1.172 ( 0.956 0.000 0.000) 0.956 1.198 ( -12.720 0.000 0.000) 12.720 1.198 ( 12.720 0.000 0.000) 12.720 1.366 ( -12.466 0.000 0.000) 12.466 1.366 ( 12.466 0.000 0.000) 12.466 1.631 ( -3.734 0.000 0.000) 3.734 1.631 ( 3.734 0.000 0.000) 3.734 1.638 ( -8.603 0.000 0.000) 8.603 1.638 ( 8.603 0.000 0.000) 8.603 1.887 ( -1.586 0.000 0.000) 1.586 1.887 ( 1.586 0.000 0.000) 1.586 2.262 ( -0.942 0.000 0.000) 0.942 2.262 ( 0.942 0.000 0.000) 0.942 2.325 ( -2.327 0.000 0.000) 2.327 2.325 ( 2.327 0.000 0.000) 2.327 2.424 ( -1.375 0.000 0.000) 1.375 2.424 ( 1.375 0.000 0.000) 1.375 2.482 ( -2.284 0.000 0.000) 2.284 2.482 ( 2.284 0.000 0.000) 2.284 2.526 ( -1.247 0.000 0.000) 1.247 2.526 ( 1.247 0.000 0.000) 1.247 2.758 ( -2.576 0.000 0.000) 2.576 2.758 ( 2.576 0.000 0.000) 2.576 2.952 ( -6.680 0.000 0.000) 6.680 2.952 ( 6.680 0.000 0.000) 6.680 3.781 ( -4.892 0.000 0.000) 4.892 3.781 ( 4.892 0.000 0.000) 4.892 9.891 ( -0.520 0.000 0.000) 0.520 9.891 ( 0.520 0.000 0.000) 0.520 9.976 ( -1.528 0.000 0.000) 1.528 9.976 ( 1.528 0.000 0.000) 1.528 10.066 ( -1.653 0.000 0.000) 1.653 10.066 ( 1.653 0.000 0.000) 1.653 10.087 ( -4.359 0.000 0.000) 4.359 10.087 ( 4.359 0.000 0.000) 4.359 14.620 ( -0.082 0.000 0.000) 0.082 14.620 ( 0.082 0.000 0.000) 0.082 14.661 ( -1.762 0.000 0.000) 1.762 14.661 ( 1.762 0.000 0.000) 1.762 14.756 ( -0.109 0.000 0.000) 0.109 14.756 ( 0.109 0.000 0.000) 0.109 14.800 ( -0.054 0.000 0.000) 0.054 14.800 ( 0.054 0.000 0.000) 0.054 14.995 ( -2.047 0.000 0.000) 2.047 14.995 ( 2.047 0.000 0.000) 2.047 15.029 ( -0.434 0.000 0.000) 0.434 15.029 ( 0.434 0.000 0.000) 0.434 22.218 ( -0.102 0.000 0.000) 0.102 22.218 ( 0.102 0.000 0.000) 0.102 22.264 ( -0.302 0.000 0.000) 0.302 22.264 ( 0.302 0.000 0.000) 0.302 29.403 ( -0.809 0.000 0.000) 0.809 29.403 ( 0.809 0.000 0.000) 0.809 29.818 ( -3.431 0.000 0.000) 3.431 29.818 ( 3.431 0.000 0.000) 3.431 30.364 ( -1.997 0.000 0.000) 1.997 30.364 ( 1.997 0.000 0.000) 1.997 30.930 ( -9.251 0.000 0.000) 9.251 30.930 ( 9.251 0.000 0.000) 9.251 31.995 ( -9.103 0.000 0.000) 9.103 31.995 ( 9.103 0.000 0.000) 9.103 33.947 ( -2.106 0.000 0.000) 2.106 33.947 ( 2.106 0.000 0.000) 2.106 ======================= Grid point 7 (5/80) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.156 ( 0.000 7.926 0.000) 7.926 0.229 ( 0.000 11.389 0.000) 11.389 0.466 ( 0.000 22.385 0.000) 22.385 0.711 ( 0.000 3.823 0.000) 3.823 0.724 ( 0.000 2.464 0.000) 2.464 0.778 ( 0.000 -1.338 0.000) 1.338 0.949 ( 0.000 1.914 0.000) 1.914 1.002 ( 0.000 5.817 0.000) 5.817 1.109 ( 0.000 -4.263 0.000) 4.263 1.192 ( 0.000 -3.417 0.000) 3.417 1.269 ( 0.000 3.540 0.000) 3.540 1.273 ( 0.000 -1.310 0.000) 1.310 1.432 ( 0.000 0.840 0.000) 0.840 1.482 ( 0.000 -2.409 0.000) 2.409 1.639 ( 0.000 -2.618 0.000) 2.618 1.676 ( 0.000 5.807 0.000) 5.807 1.838 ( 0.000 -1.172 0.000) 1.172 1.920 ( 0.000 -1.711 0.000) 1.711 1.973 ( 0.000 -5.727 0.000) 5.727 1.985 ( 0.000 1.324 0.000) 1.324 2.081 ( 0.000 0.149 0.000) 0.149 2.214 ( 0.000 -1.447 0.000) 1.447 2.312 ( 0.000 1.990 0.000) 1.990 2.355 ( 0.000 4.142 0.000) 4.142 2.448 ( 0.000 -1.671 0.000) 1.671 2.453 ( 0.000 0.928 0.000) 0.928 2.495 ( 0.000 -0.829 0.000) 0.829 2.506 ( 0.000 1.446 0.000) 1.446 2.581 ( 0.000 0.961 0.000) 0.961 2.604 ( 0.000 -0.814 0.000) 0.814 2.670 ( 0.000 1.658 0.000) 1.658 2.685 ( 0.000 4.605 0.000) 4.605 2.766 ( 0.000 -2.440 0.000) 2.440 3.109 ( 0.000 -3.328 0.000) 3.328 3.516 ( 0.000 -7.585 0.000) 7.585 3.534 ( 0.000 -2.179 0.000) 2.179 9.871 ( 0.000 -0.481 0.000) 0.481 9.909 ( 0.000 -1.263 0.000) 1.263 9.912 ( 0.000 0.022 0.000) 0.022 9.990 ( 0.000 5.574 0.000) 5.574 10.019 ( 0.000 -1.086 0.000) 1.086 10.065 ( 0.000 4.937 0.000) 4.937 10.105 ( 0.000 -1.576 0.000) 1.576 10.221 ( 0.000 -2.365 0.000) 2.365 14.609 ( 0.000 0.352 0.000) 0.352 14.629 ( 0.000 0.498 0.000) 0.498 14.697 ( 0.000 -0.321 0.000) 0.321 14.731 ( 0.000 -0.335 0.000) 0.335 14.745 ( 0.000 -0.262 0.000) 0.262 14.762 ( 0.000 0.952 0.000) 0.952 14.797 ( 0.000 -0.232 0.000) 0.232 14.803 ( 0.000 0.013 0.000) 0.013 14.899 ( 0.000 0.395 0.000) 0.395 14.921 ( 0.000 0.422 0.000) 0.422 15.003 ( 0.000 -1.129 0.000) 1.129 15.063 ( 0.000 -1.617 0.000) 1.617 22.216 ( 0.000 0.006 0.000) 0.006 22.224 ( 0.000 -0.026 0.000) 0.026 22.248 ( 0.000 -0.283 0.000) 0.283 22.270 ( 0.000 -0.325 0.000) 0.325 29.476 ( 0.000 3.680 0.000) 3.680 29.764 ( 0.000 6.833 0.000) 6.833 29.925 ( 0.000 -0.848 0.000) 0.848 30.320 ( 0.000 1.777 0.000) 1.777 30.496 ( 0.000 3.297 0.000) 3.297 30.582 ( 0.000 -1.232 0.000) 1.232 31.221 ( 0.000 -4.754 0.000) 4.754 31.620 ( 0.000 -3.875 0.000) 3.875 31.784 ( 0.000 -0.834 0.000) 0.834 31.893 ( 0.000 0.447 0.000) 0.447 32.305 ( 0.000 0.164 0.000) 0.164 33.747 ( 0.000 -10.682 0.000) 10.682 ======================= Grid point 8 (6/80) ======================= q-point: ( 0.17 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.230 ( 6.800 4.690 0.000) 8.261 0.312 ( 6.660 6.990 0.000) 9.655 0.625 ( 14.951 13.865 0.000) 20.390 0.685 ( -2.401 1.734 0.000) 2.962 0.747 ( 2.198 3.383 0.000) 4.034 0.811 ( 1.319 -0.962 0.000) 1.633 0.907 ( -1.588 2.074 0.000) 2.612 1.005 ( -0.452 6.827 0.000) 6.842 1.109 ( -0.060 -2.994 0.000) 2.995 1.188 ( -0.808 -3.277 0.000) 3.375 1.237 ( -3.628 1.886 0.000) 4.089 1.251 ( -1.740 3.077 0.000) 3.535 1.446 ( 1.046 4.283 0.000) 4.409 1.449 ( -3.679 -2.613 0.000) 4.513 1.526 ( -1.796 7.141 0.000) 7.364 1.625 ( -1.439 -2.429 0.000) 2.823 1.826 ( -1.571 -1.651 0.000) 2.279 1.866 ( -7.391 -3.096 0.000) 8.013 1.922 ( -2.684 -1.151 0.000) 2.920 1.974 ( -1.212 1.558 0.000) 1.974 2.192 ( 3.966 -2.365 0.000) 4.618 2.220 ( 0.574 -1.461 0.000) 1.569 2.343 ( 2.363 0.736 0.000) 2.475 2.365 ( 0.767 1.515 0.000) 1.698 2.443 ( -0.509 -0.492 0.000) 0.708 2.454 ( 0.146 1.528 0.000) 1.535 2.480 ( -1.050 2.898 0.000) 3.083 2.517 ( 0.868 -0.915 0.000) 1.262 2.568 ( -0.546 5.496 0.000) 5.523 2.623 ( 1.922 -1.805 0.000) 2.637 2.638 ( -3.438 5.777 0.000) 6.722 2.729 ( 4.778 1.192 0.000) 4.925 2.772 ( 0.290 -2.266 0.000) 2.285 3.094 ( -1.755 -2.817 0.000) 3.319 3.540 ( 2.488 -7.859 0.000) 8.244 3.664 ( 6.604 -13.944 0.000) 15.429 9.874 ( 0.264 -0.328 0.000) 0.421 9.909 ( -0.323 0.024 0.000) 0.324 9.922 ( 1.349 -1.543 0.000) 2.050 9.993 ( 0.334 5.065 0.000) 5.076 10.025 ( 0.169 -0.324 0.000) 0.365 10.075 ( 1.107 4.814 0.000) 4.940 10.093 ( -1.202 -1.928 0.000) 2.272 10.209 ( -1.252 -1.469 0.000) 1.930 14.605 ( -0.308 -0.284 0.000) 0.419 14.633 ( -3.197 0.878 0.000) 3.315 14.636 ( 0.724 0.895 0.000) 1.151 14.722 ( -0.926 -0.133 0.000) 0.936 14.745 ( 0.060 -0.311 0.000) 0.317 14.759 ( -0.233 0.585 0.000) 0.630 14.798 ( 0.112 -0.155 0.000) 0.191 14.804 ( 0.099 0.177 0.000) 0.203 14.910 ( 1.516 -0.008 0.000) 1.516 14.976 ( 2.508 -2.084 0.000) 3.260 15.003 ( 0.049 -1.116 0.000) 1.117 15.056 ( -0.817 -1.550 0.000) 1.752 22.216 ( 0.005 -0.001 0.000) 0.005 22.223 ( -0.140 -0.031 0.000) 0.144 22.250 ( 0.214 -0.280 0.000) 0.352 22.269 ( -0.127 -0.321 0.000) 0.345 29.483 ( 0.766 4.762 0.000) 4.824 29.769 ( 0.193 6.756 0.000) 6.758 29.919 ( -0.751 -0.046 0.000) 0.753 30.244 ( -46.295 45.394 0.000) 64.837 30.326 ( 0.668 1.647 0.000) 1.778 30.470 ( -3.228 3.625 0.000) 4.853 30.639 ( 4.972 -0.475 0.000) 4.995 31.177 ( -4.700 -4.422 0.000) 6.453 31.705 ( 4.866 -0.359 0.000) 4.880 32.264 ( -4.357 0.141 0.000) 4.359 33.270 ( 40.481 -43.941 0.000) 59.746 33.754 ( 0.687 -11.340 0.000) 11.361 ======================= Grid point 9 (7/80) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.373 ( 8.189 1.644 0.000) 8.353 0.430 ( 5.682 0.343 0.000) 5.693 0.631 ( -3.160 -1.807 0.000) 3.640 0.724 ( -7.142 0.711 0.000) 7.177 0.797 ( 3.088 5.916 0.000) 6.673 0.882 ( 4.031 6.022 0.000) 7.247 0.994 ( 11.689 8.235 0.000) 14.298 1.019 ( 4.609 2.647 0.000) 5.315 1.103 ( -0.665 -1.009 0.000) 1.208 1.159 ( 0.112 -4.096 0.000) 4.097 1.212 ( 0.490 2.475 0.000) 2.524 1.217 ( -1.556 2.285 0.000) 2.764 1.346 ( -7.272 -2.782 0.000) 7.786 1.512 ( 5.628 1.970 0.000) 5.963 1.563 ( 3.497 1.305 0.000) 3.732 1.568 ( -6.754 -1.161 0.000) 6.853 1.695 ( -8.406 -3.249 0.000) 9.012 1.765 ( -5.170 -0.650 0.000) 5.210 1.899 ( 0.010 1.821 0.000) 1.821 1.945 ( -1.807 1.916 0.000) 2.634 2.229 ( 0.968 -0.739 0.000) 1.218 2.232 ( 0.628 -1.398 0.000) 1.532 2.374 ( 0.892 -1.077 0.000) 1.398 2.375 ( 0.398 -1.109 0.000) 1.178 2.434 ( -0.294 2.537 0.000) 2.554 2.450 ( -0.883 5.246 0.000) 5.319 2.476 ( 1.043 2.560 0.000) 2.764 2.537 ( 1.251 0.351 0.000) 1.299 2.556 ( -1.558 4.104 0.000) 4.390 2.580 ( -2.239 6.610 0.000) 6.979 2.667 ( 2.718 -3.254 0.000) 4.240 2.751 ( -1.318 -4.044 0.000) 4.254 2.845 ( 6.274 2.132 0.000) 6.627 3.043 ( -3.747 -1.423 0.000) 4.008 3.600 ( 3.806 -8.765 0.000) 9.556 3.710 ( -0.639 -12.879 0.000) 12.895 9.881 ( 0.479 -0.110 0.000) 0.492 9.901 ( -0.532 0.033 0.000) 0.533 9.956 ( 2.242 -1.783 0.000) 2.865 10.003 ( 0.809 3.553 0.000) 3.643 10.019 ( -0.779 1.069 0.000) 1.323 10.063 ( -2.058 -2.358 0.000) 3.130 10.103 ( 1.822 4.238 0.000) 4.613 10.178 ( -2.014 0.737 0.000) 2.144 14.600 ( -0.250 -1.105 0.000) 1.133 14.601 ( -0.682 -1.073 0.000) 1.271 14.653 ( 1.081 1.084 0.000) 1.531 14.701 ( -1.344 0.314 0.000) 1.380 14.747 ( 0.127 -0.381 0.000) 0.402 14.754 ( -0.261 0.038 0.000) 0.264 14.801 ( 0.178 0.026 0.000) 0.180 14.805 ( -0.018 0.268 0.000) 0.269 14.947 ( 2.342 -0.302 0.000) 2.361 15.002 ( 0.695 -1.717 0.000) 1.852 15.003 ( -0.099 -1.028 0.000) 1.032 15.034 ( -1.526 -1.408 0.000) 2.077 22.217 ( 0.038 -0.011 0.000) 0.040 22.220 ( -0.153 -0.031 0.000) 0.156 22.255 ( 0.299 -0.281 0.000) 0.411 22.266 ( -0.232 -0.309 0.000) 0.386 29.507 ( 2.010 8.088 0.000) 8.334 29.696 ( -9.429 19.602 0.000) 21.752 29.855 ( -2.271 13.731 0.000) 13.918 29.898 ( -1.448 2.075 0.000) 2.530 30.346 ( 1.426 1.442 0.000) 2.028 30.422 ( -2.522 1.959 0.000) 3.194 30.755 ( 7.481 -1.225 0.000) 7.580 31.059 ( -7.767 -3.535 0.000) 8.534 31.829 ( 8.244 -0.261 0.000) 8.248 32.151 ( -7.711 0.058 0.000) 7.711 33.662 ( 9.615 -27.207 0.000) 28.856 33.766 ( 0.337 -13.478 0.000) 13.483 ======================= Grid point 10 (8/80) ======================= q-point: (-0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.490 ( -1.550 -2.908 0.000) 3.295 0.490 ( 1.550 -2.908 0.000) 3.295 0.604 ( -2.992 0.950 0.000) 3.140 0.604 ( 2.992 0.950 0.000) 3.140 0.855 ( -3.069 7.893 0.000) 8.469 0.855 ( 3.069 7.893 0.000) 8.469 1.085 ( -1.412 0.031 0.000) 1.412 1.085 ( 1.412 0.031 0.000) 1.412 1.184 ( -5.929 -0.717 0.000) 5.972 1.184 ( 5.929 -0.717 0.000) 5.972 1.209 ( -3.785 2.086 0.000) 4.322 1.209 ( 3.785 2.086 0.000) 4.322 1.345 ( -14.643 -0.620 0.000) 14.656 1.345 ( 14.643 -0.620 0.000) 14.656 1.604 ( -3.642 -2.588 0.000) 4.468 1.604 ( 3.642 -2.588 0.000) 4.468 1.652 ( -6.437 1.852 0.000) 6.698 1.652 ( 6.437 1.852 0.000) 6.698 1.914 ( -1.433 2.122 0.000) 2.561 1.914 ( 1.433 2.122 0.000) 2.561 2.238 ( -0.076 -1.002 0.000) 1.005 2.238 ( 0.076 -1.002 0.000) 1.005 2.380 ( -0.082 -1.959 0.000) 1.961 2.380 ( 0.082 -1.959 0.000) 1.961 2.435 ( -0.461 5.426 0.000) 5.446 2.435 ( 0.461 5.426 0.000) 5.446 2.510 ( -2.508 2.570 0.000) 3.591 2.510 ( 2.508 2.570 0.000) 3.591 2.558 ( -1.000 4.138 0.000) 4.257 2.558 ( 1.000 4.138 0.000) 4.257 2.716 ( -2.433 -3.963 0.000) 4.650 2.716 ( 2.433 -3.963 0.000) 4.650 2.957 ( -5.581 0.430 0.000) 5.598 2.957 ( 5.581 0.430 0.000) 5.598 3.669 ( -3.380 -10.412 0.000) 10.947 3.669 ( 3.380 -10.412 0.000) 10.947 9.891 ( -0.583 0.007 0.000) 0.583 9.891 ( 0.583 0.007 0.000) 0.583 9.996 ( -1.843 -0.009 0.000) 1.843 9.996 ( 1.843 -0.009 0.000) 1.843 10.025 ( -1.713 -0.031 0.000) 1.713 10.025 ( 1.713 -0.031 0.000) 1.713 10.140 ( -2.124 2.900 0.000) 3.595 10.140 ( 2.124 2.900 0.000) 3.595 14.597 ( -0.042 -1.535 0.000) 1.536 14.597 ( 0.042 -1.535 0.000) 1.536 14.675 ( -1.329 0.813 0.000) 1.558 14.675 ( 1.329 0.813 0.000) 1.558 14.750 ( -0.201 -0.305 0.000) 0.366 14.750 ( 0.201 -0.305 0.000) 0.366 14.804 ( -0.147 0.199 0.000) 0.248 14.804 ( 0.147 0.199 0.000) 0.248 14.989 ( -1.875 -0.592 0.000) 1.966 14.989 ( 1.875 -0.592 0.000) 1.966 15.011 ( -0.566 -1.544 0.000) 1.644 15.011 ( 0.566 -1.544 0.000) 1.644 22.218 ( -0.098 -0.023 0.000) 0.101 22.218 ( 0.098 -0.023 0.000) 0.101 22.261 ( -0.295 -0.293 0.000) 0.416 22.261 ( 0.295 -0.293 0.000) 0.416 29.565 ( -4.658 14.007 0.000) 14.761 29.565 ( 4.658 14.007 0.000) 14.761 29.868 ( -1.684 5.119 0.000) 5.389 29.868 ( 1.684 5.119 0.000) 5.389 30.378 ( -2.120 1.502 0.000) 2.598 30.378 ( 2.120 1.502 0.000) 2.598 30.905 ( -8.586 -2.356 0.000) 8.903 30.905 ( 8.586 -2.356 0.000) 8.903 31.993 ( -9.195 -0.089 0.000) 9.196 31.993 ( 9.195 -0.089 0.000) 9.196 33.755 ( -2.013 -17.913 0.000) 18.026 33.755 ( 2.013 -17.913 0.000) 18.026 ======================= Grid point 14 (9/80) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.316 ( 0.000 8.087 0.000) 8.087 0.449 ( 0.000 10.437 0.000) 10.437 0.747 ( 0.000 -1.362 0.000) 1.362 0.765 ( 0.000 1.136 0.000) 1.136 0.797 ( 0.000 4.154 0.000) 4.154 0.874 ( 0.000 17.296 0.000) 17.296 1.003 ( 0.000 3.839 0.000) 3.839 1.024 ( 0.000 -4.183 0.000) 4.183 1.098 ( 0.000 -1.055 0.000) 1.055 1.125 ( 0.000 1.005 0.000) 1.005 1.247 ( 0.000 -1.145 0.000) 1.145 1.342 ( 0.000 3.787 0.000) 3.787 1.418 ( 0.000 -3.597 0.000) 3.597 1.471 ( 0.000 3.071 0.000) 3.071 1.573 ( 0.000 -3.450 0.000) 3.450 1.800 ( 0.000 -9.742 0.000) 9.742 1.820 ( 0.000 8.068 0.000) 8.068 1.828 ( 0.000 0.242 0.000) 0.242 1.895 ( 0.000 -1.930 0.000) 1.930 2.018 ( 0.000 1.954 0.000) 1.954 2.095 ( 0.000 1.354 0.000) 1.354 2.184 ( 0.000 -1.293 0.000) 1.293 2.331 ( 0.000 -0.445 0.000) 0.445 2.401 ( 0.000 -2.920 0.000) 2.920 2.418 ( 0.000 1.337 0.000) 1.337 2.445 ( 0.000 -1.642 0.000) 1.642 2.518 ( 0.000 3.014 0.000) 3.014 2.519 ( 0.000 -0.851 0.000) 0.851 2.592 ( 0.000 0.097 0.000) 0.097 2.655 ( 0.000 6.510 0.000) 6.510 2.658 ( 0.000 -4.349 0.000) 4.349 2.754 ( 0.000 2.628 0.000) 2.628 2.792 ( 0.000 5.901 0.000) 5.901 3.027 ( 0.000 -4.553 0.000) 4.553 3.315 ( 0.000 -11.825 0.000) 11.825 3.469 ( 0.000 -4.216 0.000) 4.216 9.868 ( 0.000 0.067 0.000) 0.067 9.891 ( 0.000 -0.613 0.000) 0.613 9.915 ( 0.000 0.272 0.000) 0.272 9.991 ( 0.000 -1.562 0.000) 1.562 10.062 ( 0.000 -2.536 0.000) 2.536 10.125 ( 0.000 7.487 0.000) 7.487 10.157 ( 0.000 -3.811 0.000) 3.811 10.180 ( 0.000 6.210 0.000) 6.210 14.618 ( 0.000 0.531 0.000) 0.531 14.637 ( 0.000 0.257 0.000) 0.257 14.693 ( 0.000 -0.084 0.000) 0.084 14.723 ( 0.000 -0.451 0.000) 0.451 14.744 ( 0.000 0.342 0.000) 0.342 14.783 ( 0.000 1.046 0.000) 1.046 14.791 ( 0.000 -0.314 0.000) 0.314 14.804 ( 0.000 0.115 0.000) 0.115 14.910 ( 0.000 0.649 0.000) 0.649 14.931 ( 0.000 0.518 0.000) 0.518 14.973 ( 0.000 -1.718 0.000) 1.718 15.020 ( 0.000 -2.545 0.000) 2.545 22.217 ( 0.000 0.091 0.000) 0.091 22.224 ( 0.000 -0.014 0.000) 0.014 22.241 ( 0.000 -0.394 0.000) 0.394 22.261 ( 0.000 -0.548 0.000) 0.548 29.569 ( 0.000 5.193 0.000) 5.193 29.901 ( 0.000 -1.607 0.000) 1.607 29.930 ( 0.000 8.821 0.000) 8.821 30.374 ( 0.000 3.571 0.000) 3.571 30.540 ( 0.000 -3.042 0.000) 3.042 30.612 ( 0.000 8.653 0.000) 8.653 31.091 ( 0.000 -7.965 0.000) 7.965 31.531 ( 0.000 -4.748 0.000) 4.748 31.761 ( 0.000 -1.359 0.000) 1.359 31.886 ( 0.000 -1.447 0.000) 1.447 32.319 ( 0.000 1.453 0.000) 1.453 33.459 ( 0.000 -17.317 0.000) 17.317 ======================= Grid point 15 (10/80) ======================= q-point: ( 0.17 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.351 ( 3.612 6.885 0.000) 7.775 0.478 ( 2.103 8.927 0.000) 9.172 0.709 ( -7.083 0.295 0.000) 7.089 0.766 ( 0.686 -1.017 0.000) 1.227 0.810 ( 4.033 2.577 0.000) 4.786 0.926 ( 5.831 9.736 0.000) 11.348 0.969 ( -1.693 5.786 0.000) 6.028 1.056 ( 1.993 -2.592 0.000) 3.270 1.092 ( -0.477 -1.029 0.000) 1.134 1.154 ( 1.598 3.330 0.000) 3.694 1.240 ( -0.386 -0.112 0.000) 0.402 1.314 ( -2.532 3.280 0.000) 4.143 1.384 ( -3.753 -3.510 0.000) 5.139 1.481 ( 1.102 1.450 0.000) 1.821 1.563 ( -0.978 -3.360 0.000) 3.499 1.720 ( -6.022 9.741 0.000) 11.452 1.750 ( -4.989 -6.872 0.000) 8.492 1.821 ( -1.334 0.175 0.000) 1.346 1.904 ( 0.874 -0.839 0.000) 1.211 2.008 ( -1.174 1.718 0.000) 2.081 2.181 ( 5.342 0.682 0.000) 5.385 2.187 ( 0.292 -1.470 0.000) 1.499 2.336 ( 0.102 -1.923 0.000) 1.926 2.362 ( -2.690 -1.547 0.000) 3.103 2.433 ( 0.656 -0.789 0.000) 1.026 2.456 ( 0.946 -2.543 0.000) 2.713 2.503 ( 0.513 2.202 0.000) 2.261 2.548 ( 2.239 0.704 0.000) 2.347 2.609 ( 1.321 2.165 0.000) 2.536 2.657 ( -0.333 -3.977 0.000) 3.991 2.672 ( 0.799 5.328 0.000) 5.387 2.784 ( -0.733 6.609 0.000) 6.650 2.800 ( 4.632 2.722 0.000) 5.372 3.022 ( -0.483 -3.966 0.000) 3.995 3.332 ( 1.760 -12.176 0.000) 12.303 3.463 ( -0.663 -7.432 0.000) 7.462 9.872 ( 0.370 0.068 0.000) 0.376 9.898 ( 0.823 -0.836 0.000) 1.173 9.911 ( -0.378 0.151 0.000) 0.407 10.011 ( 1.694 -0.954 0.000) 1.944 10.044 ( -1.673 -2.819 0.000) 3.278 10.119 ( -0.671 7.008 0.000) 7.040 10.168 ( 0.890 -2.626 0.000) 2.773 10.183 ( 0.342 5.698 0.000) 5.708 14.604 ( -1.090 0.142 0.000) 1.099 14.648 ( -3.651 0.730 0.000) 3.724 14.650 ( 0.895 0.341 0.000) 0.958 14.717 ( -0.700 -0.383 0.000) 0.798 14.745 ( 0.052 0.369 0.000) 0.373 14.774 ( -0.675 0.800 0.000) 1.046 14.793 ( 0.247 -0.264 0.000) 0.361 14.809 ( 0.212 0.248 0.000) 0.326 14.914 ( 0.936 0.381 0.000) 1.011 14.955 ( 1.492 -0.427 0.000) 1.552 14.974 ( 0.112 -1.674 0.000) 1.678 15.015 ( -0.565 -2.377 0.000) 2.443 22.217 ( -0.002 0.088 0.000) 0.089 22.222 ( -0.137 -0.008 0.000) 0.137 22.243 ( 0.209 -0.401 0.000) 0.452 22.260 ( -0.113 -0.538 0.000) 0.550 29.601 ( 3.463 6.459 0.000) 7.329 29.916 ( 1.564 -0.309 0.000) 1.595 29.930 ( -0.089 8.642 0.000) 8.642 30.377 ( 0.353 3.394 0.000) 3.412 30.504 ( -4.053 0.754 0.000) 4.122 30.645 ( 2.955 3.892 0.000) 4.887 30.890 ( -37.305 18.532 0.000) 41.655 31.055 ( -3.740 -7.418 0.000) 8.307 31.703 ( 4.711 0.322 0.000) 4.722 32.277 ( -4.436 1.411 0.000) 4.655 32.599 ( 35.459 -24.981 0.000) 43.375 33.450 ( -1.077 -18.190 0.000) 18.221 ======================= Grid point 16 (11/80) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.431 ( 3.874 3.554 0.000) 5.257 0.487 ( -1.347 5.433 0.000) 5.597 0.593 ( -3.504 -1.265 0.000) 3.725 0.732 ( -4.253 0.092 0.000) 4.254 0.903 ( 5.505 4.132 0.000) 6.883 0.974 ( 1.839 1.991 0.000) 2.710 1.035 ( 3.097 -5.136 0.000) 5.997 1.067 ( -0.801 -3.150 0.000) 3.250 1.123 ( 1.259 7.420 0.000) 7.526 1.173 ( 6.384 7.456 0.000) 9.816 1.250 ( 1.133 1.099 0.000) 1.578 1.271 ( -2.548 2.595 0.000) 3.637 1.289 ( -5.342 -1.919 0.000) 5.677 1.508 ( 1.728 -1.410 0.000) 2.230 1.533 ( -3.257 -2.454 0.000) 4.078 1.625 ( -7.691 -3.066 0.000) 8.280 1.668 ( 0.343 7.435 0.000) 7.443 1.778 ( -3.252 1.435 0.000) 3.554 1.923 ( 1.200 0.571 0.000) 1.329 1.980 ( -1.756 1.264 0.000) 2.164 2.197 ( 0.904 -1.587 0.000) 1.827 2.235 ( 0.430 0.979 0.000) 1.069 2.328 ( -0.667 -2.463 0.000) 2.552 2.331 ( -0.355 -3.244 0.000) 3.263 2.445 ( 0.759 -1.675 0.000) 1.839 2.469 ( 0.230 -3.355 0.000) 3.362 2.541 ( 3.161 3.442 0.000) 4.674 2.601 ( 2.453 -0.162 0.000) 2.458 2.638 ( 2.657 6.379 0.000) 6.910 2.643 ( -1.036 -2.503 0.000) 2.709 2.661 ( -2.090 3.904 0.000) 4.428 2.763 ( -1.835 8.450 0.000) 8.647 2.893 ( 4.752 2.266 0.000) 5.265 3.006 ( -1.463 -2.216 0.000) 2.655 3.372 ( 2.404 -13.145 0.000) 13.363 3.445 ( -1.341 -12.324 0.000) 12.397 9.880 ( 0.547 0.059 0.000) 0.550 9.902 ( -0.554 0.053 0.000) 0.556 9.921 ( 1.663 -1.421 0.000) 2.187 10.000 ( -2.304 -2.596 0.000) 3.471 10.050 ( 1.783 0.871 0.000) 1.985 10.102 ( -1.070 5.628 0.000) 5.729 10.183 ( 0.656 -0.353 0.000) 0.745 10.189 ( 0.241 4.236 0.000) 4.243 14.585 ( -0.860 -0.285 0.000) 0.906 14.593 ( -1.949 0.365 0.000) 1.983 14.666 ( 0.862 0.130 0.000) 0.872 14.700 ( -0.996 -0.304 0.000) 1.041 14.747 ( 0.201 0.443 0.000) 0.486 14.762 ( -0.598 0.632 0.000) 0.870 14.799 ( 0.361 -0.148 0.000) 0.390 14.810 ( -0.114 0.147 0.000) 0.186 14.940 ( 1.761 -0.314 0.000) 1.788 14.973 ( 0.560 -1.075 0.000) 1.213 14.976 ( 0.132 -1.533 0.000) 1.539 14.999 ( -1.153 -1.900 0.000) 2.222 22.217 ( 0.020 0.076 0.000) 0.079 22.220 ( -0.134 0.017 0.000) 0.135 22.248 ( 0.276 -0.431 0.000) 0.512 22.257 ( -0.205 -0.512 0.000) 0.551 29.696 ( 6.837 9.659 0.000) 11.834 29.918 ( -1.691 8.437 0.000) 8.605 29.955 ( 2.743 3.417 0.000) 4.382 30.277 ( -19.276 17.256 0.000) 25.871 30.390 ( 1.260 3.093 0.000) 3.340 30.497 ( -5.825 7.107 0.000) 9.189 30.732 ( 5.323 -0.548 0.000) 5.351 30.962 ( -6.103 -5.895 0.000) 8.485 31.829 ( 8.518 0.510 0.000) 8.534 32.162 ( -7.905 1.251 0.000) 8.004 33.080 ( 18.046 -28.397 0.000) 33.646 33.412 ( -3.363 -20.728 0.000) 20.999 ======================= Grid point 17 (12/80) ======================= q-point: (-0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.458 ( -0.845 0.378 0.000) 0.926 0.458 ( 0.845 0.378 0.000) 0.926 0.632 ( -5.751 1.864 0.000) 6.046 0.632 ( 5.751 1.864 0.000) 6.046 0.982 ( -1.851 1.810 0.000) 2.589 0.982 ( 1.851 1.810 0.000) 2.589 1.055 ( -0.554 -1.559 0.000) 1.654 1.055 ( 0.554 -1.559 0.000) 1.654 1.161 ( -5.990 0.641 0.000) 6.024 1.161 ( 5.990 0.641 0.000) 6.024 1.263 ( -0.498 2.300 0.000) 2.353 1.263 ( 0.498 2.300 0.000) 2.353 1.380 ( -11.889 3.507 0.000) 12.396 1.380 ( 11.889 3.507 0.000) 12.396 1.543 ( -2.166 -3.342 0.000) 3.983 1.543 ( 2.166 -3.342 0.000) 3.983 1.711 ( -3.576 3.806 0.000) 5.223 1.711 ( 3.576 3.806 0.000) 5.223 1.948 ( -1.564 0.915 0.000) 1.811 1.948 ( 1.564 0.915 0.000) 1.811 2.219 ( -1.398 -0.683 0.000) 1.556 2.219 ( 1.398 -0.683 0.000) 1.556 2.327 ( -0.124 -2.708 0.000) 2.711 2.327 ( 0.124 -2.708 0.000) 2.711 2.462 ( -0.890 -2.429 0.000) 2.586 2.462 ( 0.890 -2.429 0.000) 2.586 2.606 ( -3.516 4.868 0.000) 6.005 2.606 ( 3.516 4.868 0.000) 6.005 2.625 ( -0.965 -2.791 0.000) 2.953 2.625 ( 0.965 -2.791 0.000) 2.953 2.709 ( -3.956 8.996 0.000) 9.827 2.709 ( 3.956 8.996 0.000) 9.827 2.965 ( -3.053 0.266 0.000) 3.064 2.965 ( 3.053 0.266 0.000) 3.064 3.414 ( -2.044 -13.912 0.000) 14.061 3.414 ( 2.044 -13.912 0.000) 14.061 9.891 ( -0.610 0.039 0.000) 0.611 9.891 ( 0.610 0.039 0.000) 0.611 9.957 ( -2.240 -2.137 0.000) 3.096 9.957 ( 2.240 -2.137 0.000) 3.096 10.080 ( -1.421 3.486 0.000) 3.765 10.080 ( 1.421 3.486 0.000) 3.765 10.190 ( -0.163 2.091 0.000) 2.098 10.190 ( 0.163 2.091 0.000) 2.098 14.576 ( -0.059 -0.305 0.000) 0.311 14.576 ( 0.059 -0.305 0.000) 0.311 14.682 ( -0.936 -0.143 0.000) 0.947 14.682 ( 0.936 -0.143 0.000) 0.947 14.752 ( -0.411 0.533 0.000) 0.673 14.752 ( 0.411 0.533 0.000) 0.673 14.806 ( -0.306 -0.009 0.000) 0.306 14.806 ( 0.306 -0.009 0.000) 0.306 14.972 ( -1.539 -1.005 0.000) 1.838 14.972 ( 1.539 -1.005 0.000) 1.838 14.978 ( -0.154 -1.490 0.000) 1.498 14.978 ( 0.154 -1.490 0.000) 1.498 22.218 ( -0.075 0.050 0.000) 0.090 22.218 ( 0.075 0.050 0.000) 0.090 22.253 ( -0.265 -0.473 0.000) 0.542 22.253 ( 0.265 -0.473 0.000) 0.542 29.838 ( -7.409 11.006 0.000) 13.267 29.838 ( 7.409 11.006 0.000) 13.267 30.032 ( -7.003 10.793 0.000) 12.865 30.032 ( 7.003 10.793 0.000) 12.865 30.427 ( -2.769 3.494 0.000) 4.458 30.427 ( 2.769 3.494 0.000) 4.458 30.843 ( -6.552 -3.613 0.000) 7.482 30.843 ( 6.552 -3.613 0.000) 7.482 31.999 ( -9.494 0.928 0.000) 9.539 31.999 ( 9.494 0.928 0.000) 9.539 33.311 ( -8.196 -24.631 0.000) 25.959 33.311 ( 8.196 -24.631 0.000) 25.959 ======================= Grid point 21 (13/80) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.477 ( 0.000 7.908 0.000) 7.908 0.631 ( 0.000 7.272 0.000) 7.272 0.727 ( 0.000 -0.452 0.000) 0.452 0.768 ( 0.000 -0.470 0.000) 0.470 0.854 ( 0.000 1.344 0.000) 1.344 0.939 ( 0.000 -4.400 0.000) 4.400 1.037 ( 0.000 -2.099 0.000) 2.099 1.040 ( 0.000 2.952 0.000) 2.952 1.161 ( 0.000 3.824 0.000) 3.824 1.163 ( 0.000 0.649 0.000) 0.649 1.266 ( 0.000 7.183 0.000) 7.183 1.355 ( 0.000 -2.459 0.000) 2.459 1.408 ( 0.000 2.074 0.000) 2.074 1.518 ( 0.000 -1.768 0.000) 1.768 1.534 ( 0.000 2.422 0.000) 2.422 1.600 ( 0.000 -9.089 0.000) 9.089 1.842 ( 0.000 0.909 0.000) 0.909 1.868 ( 0.000 -0.730 0.000) 0.730 1.980 ( 0.000 7.575 0.000) 7.575 2.064 ( 0.000 2.619 0.000) 2.619 2.137 ( 0.000 2.914 0.000) 2.914 2.172 ( 0.000 0.306 0.000) 0.306 2.302 ( 0.000 -2.057 0.000) 2.057 2.337 ( 0.000 -3.452 0.000) 3.452 2.410 ( 0.000 -1.723 0.000) 1.723 2.416 ( 0.000 -1.125 0.000) 1.125 2.472 ( 0.000 -3.298 0.000) 3.298 2.545 ( 0.000 -6.207 0.000) 6.207 2.580 ( 0.000 2.676 0.000) 2.676 2.604 ( 0.000 0.783 0.000) 0.783 2.796 ( 0.000 6.118 0.000) 6.118 2.821 ( 0.000 3.377 0.000) 3.377 2.920 ( 0.000 7.199 0.000) 7.199 2.943 ( 0.000 -3.526 0.000) 3.526 3.081 ( 0.000 -10.606 0.000) 10.606 3.367 ( 0.000 -5.961 0.000) 5.961 9.871 ( 0.000 0.220 0.000) 0.220 9.883 ( 0.000 -0.249 0.000) 0.249 9.926 ( 0.000 0.915 0.000) 0.915 9.963 ( 0.000 -1.113 0.000) 1.113 10.010 ( 0.000 -2.511 0.000) 2.511 10.078 ( 0.000 -3.978 0.000) 3.978 10.268 ( 0.000 6.279 0.000) 6.279 10.297 ( 0.000 5.088 0.000) 5.088 14.628 ( 0.000 0.446 0.000) 0.446 14.639 ( 0.000 -0.052 0.000) 0.052 14.694 ( 0.000 0.192 0.000) 0.192 14.714 ( 0.000 -0.403 0.000) 0.403 14.758 ( 0.000 0.886 0.000) 0.886 14.786 ( 0.000 -0.204 0.000) 0.204 14.801 ( 0.000 0.692 0.000) 0.692 14.807 ( 0.000 0.193 0.000) 0.193 14.924 ( 0.000 0.679 0.000) 0.679 14.939 ( 0.000 0.288 0.000) 0.288 14.940 ( 0.000 -1.477 0.000) 1.477 14.968 ( 0.000 -2.457 0.000) 2.457 22.220 ( 0.000 0.252 0.000) 0.252 22.224 ( 0.000 0.035 0.000) 0.035 22.234 ( 0.000 -0.327 0.000) 0.327 22.249 ( 0.000 -0.624 0.000) 0.624 29.670 ( 0.000 4.666 0.000) 4.666 29.862 ( 0.000 -2.200 0.000) 2.200 30.090 ( 0.000 7.095 0.000) 7.095 30.459 ( 0.000 -5.039 0.000) 5.039 30.463 ( 0.000 5.346 0.000) 5.346 30.839 ( 0.000 13.424 0.000) 13.424 30.918 ( 0.000 -9.028 0.000) 9.028 31.436 ( 0.000 -4.888 0.000) 4.888 31.734 ( 0.000 -1.155 0.000) 1.155 31.834 ( 0.000 -3.600 0.000) 3.600 32.376 ( 0.000 4.580 0.000) 4.580 33.094 ( 0.000 -18.325 0.000) 18.325 ======================= Grid point 22 (14/80) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.491 ( 1.385 6.898 0.000) 7.036 0.644 ( 1.279 7.092 0.000) 7.206 0.699 ( -8.199 -0.928 0.000) 8.252 0.749 ( 0.989 -0.265 0.000) 1.024 0.849 ( 4.339 1.175 0.000) 4.495 0.961 ( -3.773 -1.588 0.000) 4.093 0.989 ( 1.536 -4.194 0.000) 4.466 1.031 ( -3.519 0.315 0.000) 3.533 1.181 ( 4.339 1.374 0.000) 4.551 1.228 ( 3.810 5.618 0.000) 6.788 1.270 ( 0.578 5.415 0.000) 5.446 1.325 ( -2.775 -1.824 0.000) 3.321 1.379 ( -2.540 2.878 0.000) 3.838 1.503 ( -1.383 -2.604 0.000) 2.948 1.516 ( -1.915 1.508 0.000) 2.437 1.602 ( -0.390 -7.344 0.000) 7.354 1.835 ( -0.911 0.968 0.000) 1.329 1.890 ( 2.040 -0.505 0.000) 2.102 1.898 ( -5.907 8.124 0.000) 10.044 2.045 ( -1.979 2.104 0.000) 2.888 2.176 ( 0.443 0.538 0.000) 0.697 2.202 ( 4.196 1.001 0.000) 4.314 2.279 ( -1.805 -3.064 0.000) 3.556 2.320 ( -1.663 -2.476 0.000) 2.982 2.390 ( -1.553 -3.414 0.000) 3.751 2.407 ( -0.788 -1.565 0.000) 1.752 2.510 ( 2.516 -1.826 0.000) 3.109 2.543 ( -0.289 -6.006 0.000) 6.013 2.584 ( 3.191 3.231 0.000) 4.541 2.668 ( 4.437 2.444 0.000) 5.066 2.810 ( 1.083 6.018 0.000) 6.115 2.851 ( 3.084 2.293 0.000) 3.842 2.913 ( -0.684 6.789 0.000) 6.824 2.949 ( 0.576 -3.165 0.000) 3.217 3.092 ( 1.092 -10.861 0.000) 10.916 3.333 ( -3.633 -6.136 0.000) 7.131 9.874 ( 0.325 0.181 0.000) 0.372 9.887 ( 0.453 -0.367 0.000) 0.583 9.915 ( -0.706 0.306 0.000) 0.769 9.986 ( -1.470 -2.301 0.000) 2.730 10.000 ( 2.870 -0.469 0.000) 2.908 10.109 ( 2.753 -3.075 0.000) 4.127 10.252 ( -1.644 5.900 0.000) 6.124 10.289 ( -0.878 4.512 0.000) 4.596 14.611 ( -1.242 0.557 0.000) 1.361 14.650 ( 0.610 -0.302 0.000) 0.680 14.664 ( -2.798 0.834 0.000) 2.920 14.708 ( -0.750 -0.521 0.000) 0.914 14.759 ( 0.092 0.897 0.000) 0.902 14.789 ( 0.304 -0.201 0.000) 0.364 14.789 ( -0.755 0.732 0.000) 1.052 14.813 ( 0.116 0.092 0.000) 0.148 14.924 ( 0.349 0.580 0.000) 0.677 14.942 ( 0.229 -1.420 0.000) 1.438 14.949 ( 0.638 -0.209 0.000) 0.671 14.967 ( -0.149 -2.256 0.000) 2.261 22.220 ( -0.013 0.245 0.000) 0.245 22.223 ( -0.101 0.064 0.000) 0.119 22.235 ( 0.165 -0.361 0.000) 0.397 22.249 ( -0.088 -0.611 0.000) 0.618 29.722 ( 5.624 5.448 0.000) 7.830 29.903 ( 4.342 -1.019 0.000) 4.460 30.089 ( -0.120 7.193 0.000) 7.194 30.455 ( -0.738 -4.574 0.000) 4.633 30.462 ( 0.020 5.177 0.000) 5.177 30.808 ( -2.963 10.981 0.000) 11.374 30.894 ( -2.479 -8.429 0.000) 8.786 31.116 ( -23.957 5.604 0.000) 24.604 31.723 ( 4.914 1.813 0.000) 5.237 32.201 ( 22.940 -16.088 0.000) 28.019 32.333 ( -4.523 4.568 0.000) 6.428 33.069 ( -2.793 -19.025 0.000) 19.229 ======================= Grid point 23 (15/80) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.498 ( -1.495 3.448 0.000) 3.758 0.607 ( 0.855 2.506 0.000) 2.648 0.628 ( -4.924 7.869 0.000) 9.283 0.737 ( -1.239 0.754 0.000) 1.450 0.909 ( -2.631 -5.243 0.000) 5.866 0.931 ( 1.352 -2.417 0.000) 2.770 1.000 ( 2.248 -2.538 0.000) 3.390 1.002 ( 1.791 -1.023 0.000) 2.063 1.247 ( 2.376 1.743 0.000) 2.947 1.268 ( -3.007 1.379 0.000) 3.308 1.279 ( -0.293 5.538 0.000) 5.546 1.323 ( 6.803 5.968 0.000) 9.049 1.334 ( -2.171 2.656 0.000) 3.430 1.474 ( -1.608 -3.108 0.000) 3.500 1.477 ( -1.744 -1.523 0.000) 2.316 1.566 ( -3.703 -3.388 0.000) 5.019 1.812 ( -1.510 1.840 0.000) 2.381 1.813 ( -3.010 6.733 0.000) 7.375 1.920 ( 1.169 -0.764 0.000) 1.397 1.997 ( -3.021 0.705 0.000) 3.102 2.192 ( 1.405 1.085 0.000) 1.775 2.250 ( 0.520 -0.516 0.000) 0.733 2.259 ( -0.075 -3.340 0.000) 3.340 2.286 ( -1.553 -1.412 0.000) 2.100 2.374 ( -0.076 -4.819 0.000) 4.820 2.393 ( -0.649 -2.729 0.000) 2.805 2.538 ( -0.056 -5.200 0.000) 5.200 2.542 ( 0.854 -2.203 0.000) 2.363 2.671 ( 5.093 5.413 0.000) 7.433 2.761 ( 5.786 4.724 0.000) 7.470 2.809 ( -1.616 7.266 0.000) 7.444 2.892 ( -0.461 4.501 0.000) 4.525 2.926 ( 3.119 1.207 0.000) 3.344 2.961 ( 0.638 -2.123 0.000) 2.217 3.116 ( 1.561 -11.383 0.000) 11.490 3.245 ( -5.454 -7.597 0.000) 9.351 9.882 ( 0.491 0.114 0.000) 0.504 9.900 ( 0.990 -0.746 0.000) 1.240 9.903 ( -0.627 0.090 0.000) 0.633 9.952 ( -1.778 -2.042 0.000) 2.708 10.070 ( 4.214 1.151 0.000) 4.369 10.165 ( 3.137 -1.362 0.000) 3.420 10.210 ( -2.954 4.755 0.000) 5.597 10.263 ( -1.903 2.957 0.000) 3.517 14.590 ( -0.836 0.799 0.000) 1.157 14.612 ( -2.337 1.379 0.000) 2.713 14.660 ( 0.547 -0.694 0.000) 0.883 14.690 ( -1.064 -0.740 0.000) 1.296 14.761 ( 0.216 0.890 0.000) 0.916 14.776 ( -0.616 0.796 0.000) 1.006 14.796 ( 0.443 -0.200 0.000) 0.486 14.811 ( -0.287 -0.071 0.000) 0.295 14.936 ( 0.866 -0.087 0.000) 0.870 14.947 ( 0.355 -1.263 0.000) 1.312 14.956 ( 0.090 -0.698 0.000) 0.704 14.962 ( -0.398 -1.697 0.000) 1.743 22.220 ( -0.006 0.223 0.000) 0.223 22.221 ( -0.082 0.125 0.000) 0.150 22.239 ( 0.211 -0.436 0.000) 0.484 22.246 ( -0.159 -0.573 0.000) 0.595 29.864 ( 9.101 6.968 0.000) 11.462 30.017 ( 8.091 2.249 0.000) 8.398 30.077 ( -1.628 7.399 0.000) 7.575 30.402 ( -6.446 -0.990 0.000) 6.521 30.471 ( 1.240 4.945 0.000) 5.098 30.717 ( -15.452 10.472 0.000) 18.667 30.765 ( -2.904 4.247 0.000) 5.145 30.835 ( -3.663 -6.615 0.000) 7.561 31.860 ( 9.305 2.995 0.000) 9.775 32.215 ( -8.199 4.434 0.000) 9.321 32.572 ( 17.137 -22.229 0.000) 28.068 32.987 ( -6.314 -20.809 0.000) 21.746 ======================= Grid point 24 (16/80) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.517 ( -4.701 5.194 0.000) 7.006 0.517 ( 4.701 5.194 0.000) 7.006 0.678 ( -4.936 2.807 0.000) 5.678 0.678 ( 4.936 2.807 0.000) 5.678 0.904 ( -1.901 -5.426 0.000) 5.749 0.904 ( 1.901 -5.426 0.000) 5.749 1.041 ( -0.481 -2.615 0.000) 2.659 1.041 ( 0.481 -2.615 0.000) 2.659 1.247 ( -1.314 6.762 0.000) 6.888 1.247 ( 1.314 6.762 0.000) 6.888 1.294 ( -2.271 1.310 0.000) 2.622 1.294 ( 2.271 1.310 0.000) 2.622 1.440 ( -3.662 0.782 0.000) 3.745 1.440 ( 3.662 0.782 0.000) 3.745 1.479 ( -3.629 -2.077 0.000) 4.181 1.479 ( 3.629 -2.076 0.000) 4.181 1.790 ( -0.363 3.928 0.000) 3.945 1.790 ( 0.363 3.928 0.000) 3.945 1.947 ( -2.101 -0.668 0.000) 2.204 1.947 ( 2.101 -0.668 0.000) 2.204 2.226 ( -2.064 0.904 0.000) 2.253 2.226 ( 2.064 0.904 0.000) 2.253 2.269 ( -0.806 -2.842 0.000) 2.954 2.269 ( 0.806 -2.842 0.000) 2.954 2.382 ( -0.660 -4.351 0.000) 4.400 2.382 ( 0.660 -4.351 0.000) 4.400 2.543 ( -0.453 -3.688 0.000) 3.716 2.543 ( 0.453 -3.688 0.000) 3.716 2.755 ( -3.978 7.404 0.000) 8.405 2.755 ( 3.978 7.404 0.000) 8.405 2.857 ( -3.725 5.294 0.000) 6.473 2.857 ( 3.725 5.294 0.000) 6.473 2.964 ( -0.675 -0.479 0.000) 0.828 2.964 ( 0.675 -0.479 0.000) 0.828 3.158 ( -3.430 -10.750 0.000) 11.284 3.158 ( 3.430 -10.750 0.000) 11.284 9.892 ( -0.582 0.069 0.000) 0.586 9.892 ( 0.582 0.069 0.000) 0.586 9.922 ( -1.452 -1.350 0.000) 1.983 9.922 ( 1.452 -1.350 0.000) 1.983 10.146 ( -3.909 3.006 0.000) 4.931 10.146 ( 3.909 3.006 0.000) 4.931 10.220 ( -2.758 0.824 0.000) 2.879 10.220 ( 2.758 0.824 0.000) 2.879 14.586 ( -0.506 1.165 0.000) 1.270 14.586 ( 0.506 1.165 0.000) 1.270 14.672 ( -0.829 -0.855 0.000) 1.191 14.672 ( 0.829 -0.855 0.000) 1.191 14.767 ( -0.402 0.846 0.000) 0.937 14.767 ( 0.402 0.846 0.000) 0.937 14.804 ( -0.429 -0.171 0.000) 0.462 14.804 ( 0.429 -0.171 0.000) 0.462 14.951 ( -0.527 -0.973 0.000) 1.107 14.951 ( 0.527 -0.973 0.000) 1.107 14.955 ( -0.079 -0.969 0.000) 0.972 14.955 ( 0.079 -0.969 0.000) 0.972 22.220 ( -0.031 0.183 0.000) 0.185 22.220 ( 0.031 0.183 0.000) 0.185 22.243 ( -0.203 -0.513 0.000) 0.551 22.243 ( 0.203 -0.513 0.000) 0.551 30.012 ( -5.916 7.334 0.000) 9.423 30.012 ( 5.916 7.334 0.000) 9.423 30.208 ( -12.408 4.944 0.000) 13.357 30.208 ( 12.408 4.944 0.000) 13.357 30.526 ( -5.462 6.288 0.000) 8.329 30.526 ( 5.462 6.288 0.000) 8.329 30.774 ( -2.471 -3.043 0.000) 3.920 30.774 ( 2.471 -3.043 0.000) 3.920 32.043 ( -10.100 3.959 0.000) 10.848 32.043 ( 10.100 3.959 0.000) 10.848 32.829 ( -11.061 -22.622 0.000) 25.181 32.829 ( 11.061 -22.622 0.000) 25.181 ======================= Grid point 28 (17/80) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( 0.000 7.005 0.000) 7.005 0.721 ( 0.000 1.744 0.000) 1.744 0.727 ( 0.000 0.293 0.000) 0.293 0.739 ( 0.000 -3.409 0.000) 3.409 0.858 ( 0.000 -0.450 0.000) 0.450 0.865 ( 0.000 -2.078 0.000) 2.078 1.038 ( 0.000 2.060 0.000) 2.060 1.075 ( 0.000 -0.105 0.000) 0.105 1.151 ( 0.000 -0.942 0.000) 0.942 1.158 ( 0.000 -0.824 0.000) 0.824 1.329 ( 0.000 0.294 0.000) 0.294 1.378 ( 0.000 -4.161 0.000) 4.161 1.445 ( 0.000 7.468 0.000) 7.468 1.503 ( 0.000 -0.059 0.000) 0.059 1.505 ( 0.000 -0.622 0.000) 0.622 1.541 ( 0.000 -2.108 0.000) 2.108 1.857 ( 0.000 0.535 0.000) 0.535 1.862 ( 0.000 -0.053 0.000) 0.053 2.100 ( 0.000 3.710 0.000) 3.710 2.113 ( 0.000 1.789 0.000) 1.789 2.202 ( 0.000 2.583 0.000) 2.583 2.205 ( 0.000 3.547 0.000) 3.547 2.258 ( 0.000 -2.497 0.000) 2.497 2.270 ( 0.000 -3.149 0.000) 3.149 2.382 ( 0.000 -0.542 0.000) 0.542 2.392 ( 0.000 -0.464 0.000) 0.464 2.407 ( 0.000 -2.775 0.000) 2.775 2.432 ( 0.000 -4.511 0.000) 4.511 2.615 ( 0.000 0.835 0.000) 0.835 2.617 ( 0.000 0.439 0.000) 0.439 2.873 ( 0.000 1.555 0.000) 1.555 2.873 ( 0.000 1.710 0.000) 1.710 2.896 ( 0.000 -0.921 0.000) 0.921 2.925 ( 0.000 -4.487 0.000) 4.487 3.078 ( 0.000 8.163 0.000) 8.163 3.234 ( 0.000 -7.332 0.000) 7.332 9.876 ( 0.000 0.193 0.000) 0.193 9.879 ( 0.000 -0.151 0.000) 0.151 9.952 ( 0.000 0.108 0.000) 0.108 9.954 ( 0.000 1.928 0.000) 1.928 9.969 ( 0.000 -1.513 0.000) 1.513 10.005 ( 0.000 -3.157 0.000) 3.157 10.359 ( 0.000 2.631 0.000) 2.631 10.368 ( 0.000 1.756 0.000) 1.756 14.635 ( 0.000 0.210 0.000) 0.210 14.637 ( 0.000 -0.073 0.000) 0.073 14.700 ( 0.000 0.326 0.000) 0.326 14.707 ( 0.000 -0.358 0.000) 0.358 14.774 ( 0.000 0.643 0.000) 0.643 14.782 ( 0.000 -0.208 0.000) 0.208 14.810 ( 0.000 0.226 0.000) 0.226 14.811 ( 0.000 0.099 0.000) 0.099 14.920 ( 0.000 -0.358 0.000) 0.358 14.929 ( 0.000 -1.309 0.000) 1.309 14.935 ( 0.000 0.472 0.000) 0.472 14.941 ( 0.000 -0.102 0.000) 0.102 22.225 ( 0.000 0.103 0.000) 0.103 22.227 ( 0.000 0.431 0.000) 0.431 22.228 ( 0.000 -0.201 0.000) 0.201 22.237 ( 0.000 -0.571 0.000) 0.571 29.751 ( 0.000 3.546 0.000) 3.546 29.813 ( 0.000 -2.735 0.000) 2.735 30.221 ( 0.000 6.306 0.000) 6.306 30.345 ( 0.000 -6.127 0.000) 6.127 30.587 ( 0.000 7.023 0.000) 7.023 30.741 ( 0.000 -8.427 0.000) 8.427 31.109 ( 0.000 12.656 0.000) 12.656 31.316 ( 0.000 -7.834 0.000) 7.834 31.724 ( 0.000 0.420 0.000) 0.420 31.760 ( 0.000 -3.169 0.000) 3.169 32.513 ( 0.000 9.473 0.000) 9.473 32.757 ( 0.000 -14.858 0.000) 14.858 ======================= Grid point 29 (18/80) ======================= q-point: ( 0.17 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( -1.167 5.110 0.000) 5.242 0.679 ( -4.900 -1.463 0.000) 5.114 0.735 ( 1.936 2.088 0.000) 2.848 0.755 ( 1.978 0.109 0.000) 1.981 0.860 ( 2.381 0.592 0.000) 2.453 0.903 ( 1.012 -3.807 0.000) 3.939 0.955 ( -6.380 1.886 0.000) 6.653 1.010 ( -5.232 -2.518 0.000) 5.807 1.207 ( 5.228 1.817 0.000) 5.535 1.241 ( 5.291 -1.204 0.000) 5.426 1.327 ( 0.191 2.269 0.000) 2.277 1.397 ( 1.275 -2.868 0.000) 3.139 1.431 ( -1.249 6.712 0.000) 6.827 1.464 ( -3.072 0.034 0.000) 3.072 1.495 ( -1.520 -2.764 0.000) 3.154 1.516 ( -2.550 -1.912 0.000) 3.188 1.856 ( -0.213 1.138 0.000) 1.158 1.878 ( 1.263 -0.886 0.000) 1.543 2.040 ( -5.343 5.509 0.000) 7.674 2.083 ( -3.233 0.965 0.000) 3.374 2.197 ( -0.364 1.212 0.000) 1.265 2.216 ( 0.556 0.756 0.000) 0.939 2.229 ( -1.818 -2.019 0.000) 2.717 2.261 ( -0.855 -3.435 0.000) 3.540 2.363 ( -1.156 1.800 0.000) 2.139 2.390 ( -0.209 0.480 0.000) 0.523 2.437 ( 0.359 -4.095 0.000) 4.110 2.442 ( 2.040 -4.647 0.000) 5.076 2.649 ( 4.998 2.983 0.000) 5.820 2.688 ( 5.774 -0.590 0.000) 5.804 2.884 ( 1.121 1.567 0.000) 1.927 2.887 ( 1.287 1.063 0.000) 1.669 2.906 ( 1.018 -0.845 0.000) 1.323 2.935 ( 0.909 -4.406 0.000) 4.499 3.062 ( -1.766 7.694 0.000) 7.894 3.207 ( -3.004 -6.697 0.000) 7.340 9.878 ( 0.263 0.170 0.000) 0.314 9.881 ( 0.282 -0.184 0.000) 0.336 9.924 ( -1.118 0.628 0.000) 1.283 9.945 ( -1.485 -1.559 0.000) 2.153 10.010 ( 4.033 1.371 0.000) 4.260 10.051 ( 3.822 -2.626 0.000) 4.637 10.339 ( -2.165 2.576 0.000) 3.365 10.351 ( -1.880 1.417 0.000) 2.354 14.625 ( -0.742 0.781 0.000) 1.077 14.640 ( 0.000 -0.664 0.000) 0.664 14.680 ( -1.858 0.827 0.000) 2.033 14.696 ( -1.139 -0.686 0.000) 1.330 14.775 ( 0.126 0.682 0.000) 0.694 14.784 ( 0.239 -0.267 0.000) 0.358 14.802 ( -0.525 0.581 0.000) 0.783 14.811 ( -0.170 -0.271 0.000) 0.319 14.923 ( 0.314 -0.345 0.000) 0.467 14.931 ( 0.207 -1.195 0.000) 1.213 14.935 ( 0.061 0.529 0.000) 0.533 14.944 ( 0.158 -0.350 0.000) 0.384 22.225 ( -0.023 0.156 0.000) 0.157 22.227 ( -0.033 0.420 0.000) 0.421 22.229 ( 0.078 -0.257 0.000) 0.269 22.237 ( -0.059 -0.558 0.000) 0.561 29.814 ( 6.575 3.706 0.000) 7.548 29.872 ( 6.210 -2.186 0.000) 6.584 30.222 ( 0.056 6.335 0.000) 6.336 30.346 ( -0.051 -6.021 0.000) 6.022 30.582 ( -0.417 6.735 0.000) 6.748 30.729 ( -1.264 -7.938 0.000) 8.038 31.025 ( -8.284 9.398 0.000) 12.528 31.146 ( -14.759 -2.371 0.000) 14.949 31.785 ( 7.680 4.897 0.000) 9.108 31.937 ( 13.774 -10.435 0.000) 17.281 32.472 ( -4.444 9.606 0.000) 10.584 32.721 ( -3.932 -15.255 0.000) 15.754 ======================= Grid point 30 (19/80) ======================= q-point: ( 0.33 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( -0.755 4.795 0.000) 4.854 0.647 ( 1.605 -0.230 0.000) 1.621 0.744 ( -4.168 2.964 0.000) 5.114 0.791 ( 3.119 1.580 0.000) 3.496 0.833 ( -6.490 1.318 0.000) 6.622 0.878 ( -0.977 -0.353 0.000) 1.039 0.933 ( 2.328 -4.271 0.000) 4.864 0.940 ( -1.003 -5.014 0.000) 5.113 1.289 ( 3.080 2.523 0.000) 3.982 1.327 ( 3.741 -0.502 0.000) 3.775 1.342 ( 1.354 5.024 0.000) 5.203 1.383 ( -2.723 2.635 0.000) 3.789 1.416 ( -1.972 -2.587 0.000) 3.253 1.423 ( 1.161 3.216 0.000) 3.419 1.456 ( -3.712 -0.687 0.000) 3.775 1.477 ( -0.135 -5.414 0.000) 5.415 1.852 ( 0.000 2.296 0.000) 2.296 1.896 ( 0.897 -1.769 0.000) 1.983 1.938 ( -5.105 5.617 0.000) 7.590 2.005 ( -4.779 -0.672 0.000) 4.826 2.196 ( 0.331 -0.326 0.000) 0.465 2.217 ( 0.447 -1.875 0.000) 1.927 2.218 ( -0.368 -1.022 0.000) 1.086 2.246 ( -0.671 -3.113 0.000) 3.185 2.351 ( -0.081 3.747 0.000) 3.748 2.381 ( -0.895 1.832 0.000) 2.039 2.443 ( 0.442 -4.119 0.000) 4.143 2.462 ( 0.126 -5.734 0.000) 5.735 2.770 ( 7.176 4.040 0.000) 8.235 2.812 ( 7.292 0.212 0.000) 7.295 2.899 ( 0.341 1.861 0.000) 1.892 2.918 ( 1.758 -0.400 0.000) 1.803 2.928 ( 1.276 -0.830 0.000) 1.522 2.955 ( 1.305 -4.371 0.000) 4.561 3.011 ( -3.789 6.145 0.000) 7.219 3.125 ( -5.762 -5.258 0.000) 7.801 9.885 ( 0.460 0.160 0.000) 0.487 9.889 ( 0.589 -0.335 0.000) 0.678 9.907 ( -0.761 0.372 0.000) 0.847 9.921 ( -1.125 -1.087 0.000) 1.564 10.097 ( 5.303 1.614 0.000) 5.543 10.132 ( 4.856 -1.795 0.000) 5.177 10.282 ( -4.006 2.340 0.000) 4.639 10.300 ( -3.595 0.550 0.000) 3.637 14.613 ( -0.362 1.363 0.000) 1.411 14.640 ( 0.154 -1.228 0.000) 1.238 14.643 ( -1.962 1.534 0.000) 2.491 14.670 ( -1.426 -1.208 0.000) 1.869 14.779 ( 0.231 0.762 0.000) 0.796 14.790 ( 0.364 -0.399 0.000) 0.540 14.792 ( -0.524 0.778 0.000) 0.938 14.805 ( -0.410 -0.474 0.000) 0.627 14.930 ( 0.474 -0.344 0.000) 0.586 14.936 ( 0.238 -0.866 0.000) 0.898 14.937 ( 0.127 0.209 0.000) 0.244 14.944 ( -0.138 -0.479 0.000) 0.499 22.225 ( 0.002 0.248 0.000) 0.248 22.226 ( -0.047 0.387 0.000) 0.390 22.231 ( 0.109 -0.358 0.000) 0.375 22.235 ( -0.102 -0.518 0.000) 0.528 29.975 ( 10.141 4.217 0.000) 10.983 30.030 ( 10.507 -1.131 0.000) 10.567 30.213 ( -1.525 6.357 0.000) 6.538 30.330 ( -2.377 -5.211 0.000) 5.728 30.582 ( 0.926 5.966 0.000) 6.037 30.705 ( -0.924 -6.347 0.000) 6.414 30.847 ( -10.147 3.713 0.000) 10.805 30.861 ( -14.445 2.765 0.000) 14.707 31.966 ( 11.193 8.098 0.000) 13.815 32.198 ( 13.981 -15.222 0.000) 20.669 32.354 ( -8.348 9.803 0.000) 12.876 32.613 ( -7.871 -16.139 0.000) 17.956 ======================= Grid point 31 (20/80) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( -5.745 5.567 0.000) 7.999 0.632 ( 5.745 5.567 0.000) 7.999 0.716 ( -5.567 -1.417 0.000) 5.744 0.716 ( 5.567 -1.417 0.000) 5.744 0.847 ( -2.386 2.161 0.000) 3.219 0.847 ( 2.386 2.161 0.000) 3.219 0.951 ( -0.533 -5.898 0.000) 5.922 0.951 ( 0.533 -5.898 0.000) 5.922 1.329 ( -2.091 2.335 0.000) 3.135 1.329 ( 2.091 2.335 0.000) 3.135 1.372 ( -0.744 2.832 0.000) 2.928 1.372 ( 0.744 2.832 0.000) 2.928 1.397 ( -1.680 -0.517 0.000) 1.758 1.397 ( 1.680 -0.517 0.000) 1.758 1.462 ( -1.925 -2.097 0.000) 2.847 1.462 ( 1.925 -2.097 0.000) 2.847 1.869 ( -2.203 3.922 0.000) 4.498 1.869 ( 2.203 3.922 0.000) 4.498 1.929 ( -3.054 -1.639 0.000) 3.466 1.929 ( 3.054 -1.639 0.000) 3.466 2.206 ( -0.695 -0.828 0.000) 1.081 2.206 ( 0.695 -0.828 0.000) 1.081 2.233 ( -0.886 -2.485 0.000) 2.639 2.233 ( 0.886 -2.485 0.000) 2.639 2.361 ( -1.060 3.130 0.000) 3.304 2.361 ( 1.060 3.130 0.000) 3.304 2.454 ( -0.686 -5.160 0.000) 5.206 2.454 ( 0.686 -5.160 0.000) 5.206 2.878 ( -3.550 4.176 0.000) 5.481 2.878 ( 3.550 4.176 0.000) 5.481 2.927 ( -4.471 0.931 0.000) 4.567 2.927 ( 4.471 0.931 0.000) 4.567 2.941 ( -0.120 0.131 0.000) 0.177 2.941 ( 0.120 0.130 0.000) 0.177 3.010 ( -5.665 -4.457 0.000) 7.208 3.010 ( 5.665 -4.457 0.000) 7.208 9.895 ( -0.611 0.225 0.000) 0.651 9.895 ( 0.611 0.225 0.000) 0.651 9.903 ( -0.865 -0.646 0.000) 1.079 9.903 ( 0.865 -0.646 0.000) 1.079 10.196 ( -5.212 1.960 0.000) 5.568 10.196 ( 5.212 1.960 0.000) 5.568 10.222 ( -4.730 -0.616 0.000) 4.770 10.222 ( 4.730 -0.616 0.000) 4.770 14.616 ( -0.790 1.707 0.000) 1.881 14.616 ( 0.790 1.707 0.000) 1.881 14.649 ( -0.842 -1.449 0.000) 1.676 14.649 ( 0.842 -1.449 0.000) 1.676 14.784 ( -0.378 0.816 0.000) 0.899 14.784 ( 0.378 0.816 0.000) 0.899 14.797 ( -0.428 -0.497 0.000) 0.656 14.797 ( 0.428 -0.497 0.000) 0.656 14.938 ( -0.170 -0.301 0.000) 0.346 14.938 ( 0.170 -0.301 0.000) 0.346 14.940 ( -0.298 -0.463 0.000) 0.551 14.940 ( 0.298 -0.463 0.000) 0.551 22.225 ( -0.034 0.329 0.000) 0.331 22.225 ( 0.034 0.329 0.000) 0.331 22.233 ( -0.118 -0.451 0.000) 0.466 22.233 ( 0.118 -0.451 0.000) 0.466 30.141 ( -6.835 5.591 0.000) 8.831 30.141 ( 6.835 5.591 0.000) 8.831 30.225 ( -9.330 -2.366 0.000) 9.625 30.225 ( 9.330 -2.366 0.000) 9.625 30.647 ( -7.231 5.062 0.000) 8.826 30.647 ( 7.231 5.062 0.000) 8.826 30.721 ( -3.588 -2.684 0.000) 4.480 30.721 ( 3.588 -2.684 0.000) 4.480 32.174 ( -10.940 9.532 0.000) 14.510 32.174 ( 10.940 9.532 0.000) 14.510 32.434 ( -11.490 -16.600 0.000) 20.189 32.434 ( 11.490 -16.600 0.000) 20.189 ======================= Grid point 63 (21/80) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.103 ( 0.000 0.000 5.480) 5.480 0.213 ( 0.000 0.000 10.835) 10.835 0.452 ( 0.000 0.000 20.617) 20.617 0.661 ( 0.000 0.000 -3.142) 3.142 0.688 ( 0.000 0.000 1.903) 1.903 0.834 ( 0.000 0.000 3.968) 3.968 0.930 ( 0.000 0.000 -0.502) 0.502 0.949 ( 0.000 0.000 2.288) 2.288 1.094 ( 0.000 0.000 -2.708) 2.708 1.117 ( 0.000 0.000 2.570) 2.570 1.210 ( 0.000 0.000 0.363) 0.363 1.285 ( 0.000 0.000 -0.336) 0.336 1.385 ( 0.000 0.000 5.511) 5.511 1.413 ( 0.000 0.000 1.894) 1.894 1.573 ( 0.000 0.000 3.697) 3.697 1.864 ( 0.000 0.000 0.780) 0.780 1.940 ( 0.000 0.000 0.035) 0.035 1.963 ( 0.000 0.000 0.194) 0.194 1.965 ( 0.000 0.000 -0.584) 0.584 2.034 ( 0.000 0.000 0.120) 0.120 2.106 ( 0.000 0.000 2.431) 2.431 2.281 ( 0.000 0.000 5.327) 5.327 2.293 ( 0.000 0.000 -1.031) 1.031 2.393 ( 0.000 0.000 0.616) 0.616 2.421 ( 0.000 0.000 -2.708) 2.708 2.447 ( 0.000 0.000 -1.884) 1.884 2.483 ( 0.000 0.000 -1.130) 1.130 2.484 ( 0.000 0.000 -0.361) 0.361 2.586 ( 0.000 0.000 -1.490) 1.490 2.589 ( 0.000 0.000 0.388) 0.388 2.640 ( 0.000 0.000 -1.014) 1.014 2.673 ( 0.000 0.000 3.247) 3.247 2.833 ( 0.000 0.000 1.764) 1.764 3.158 ( 0.000 0.000 1.582) 1.582 3.345 ( 0.000 0.000 -4.593) 4.593 3.752 ( 0.000 0.000 -3.283) 3.283 9.872 ( 0.000 0.000 -1.202) 1.202 9.912 ( 0.000 0.000 -1.738) 1.738 9.923 ( 0.000 0.000 1.118) 1.118 9.923 ( 0.000 0.000 0.014) 0.014 9.985 ( 0.000 0.000 -1.326) 1.326 10.050 ( 0.000 0.000 1.383) 1.383 10.120 ( 0.000 0.000 -0.048) 0.048 10.223 ( 0.000 0.000 -2.212) 2.212 14.622 ( 0.000 0.000 0.472) 0.472 14.627 ( 0.000 0.000 0.381) 0.381 14.663 ( 0.000 0.000 -0.572) 0.572 14.700 ( 0.000 0.000 -2.030) 2.030 14.756 ( 0.000 0.000 0.459) 0.459 14.772 ( 0.000 0.000 1.032) 1.032 14.794 ( 0.000 0.000 -0.476) 0.476 14.798 ( 0.000 0.000 -0.473) 0.473 14.904 ( 0.000 0.000 0.846) 0.846 14.921 ( 0.000 0.000 0.466) 0.466 15.019 ( 0.000 0.000 0.501) 0.501 15.080 ( 0.000 0.000 -0.002) 0.002 22.217 ( 0.000 0.000 0.050) 0.050 22.225 ( 0.000 0.000 -0.017) 0.017 22.252 ( 0.000 0.000 0.093) 0.093 22.271 ( 0.000 0.000 -0.206) 0.206 29.398 ( 0.000 0.000 1.490) 1.490 29.459 ( 0.000 0.000 2.204) 2.204 29.678 ( 0.000 0.000 -1.272) 1.272 29.910 ( 0.000 0.000 -2.429) 2.429 30.500 ( 0.000 0.000 3.170) 3.170 30.612 ( 0.000 0.000 1.681) 1.681 31.352 ( 0.000 0.000 7.839) 7.839 31.655 ( 0.000 0.000 -0.892) 0.892 31.798 ( 0.000 0.000 0.590) 0.590 32.341 ( 0.000 0.000 3.963) 3.963 32.527 ( 0.000 0.000 -3.621) 3.621 33.752 ( 0.000 0.000 -10.751) 10.751 ======================= Grid point 64 (22/80) ======================= q-point: ( 0.17 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.252 ( 10.946 0.000 1.918) 11.112 0.350 ( 9.229 0.000 9.522) 13.261 0.600 ( 15.189 0.000 13.003) 19.994 0.663 ( 0.372 0.000 -1.230) 1.285 0.695 ( 0.378 0.000 0.156) 0.409 0.877 ( 2.859 0.000 5.024) 5.780 0.891 ( -3.663 0.000 -0.229) 3.670 0.909 ( -1.989 0.000 1.870) 2.730 1.110 ( 1.093 0.000 -2.244) 2.496 1.139 ( 1.795 0.000 2.220) 2.854 1.206 ( -0.404 0.000 0.534) 0.670 1.250 ( -2.773 0.000 0.972) 2.938 1.423 ( 2.235 0.000 2.160) 3.109 1.453 ( 3.701 0.000 0.522) 3.737 1.558 ( -1.323 0.000 5.578) 5.733 1.752 ( -10.072 0.000 4.510) 11.036 1.866 ( 0.227 0.000 0.807) 0.839 1.886 ( -6.551 0.000 0.741) 6.593 1.953 ( -1.181 0.000 -0.313) 1.222 1.966 ( -6.589 0.000 2.136) 6.926 2.216 ( 2.581 0.000 -1.082) 2.799 2.283 ( -0.636 0.000 -0.972) 1.162 2.297 ( 3.281 0.000 3.064) 4.489 2.408 ( -1.782 0.000 -3.235) 3.694 2.418 ( 1.630 0.000 0.145) 1.636 2.437 ( -6.853 0.000 3.413) 7.656 2.444 ( -0.693 0.000 0.396) 0.799 2.448 ( -1.018 0.000 -0.023) 1.018 2.511 ( 0.697 0.000 -1.383) 1.548 2.578 ( -1.091 0.000 -1.570) 1.911 2.690 ( 1.924 0.000 3.414) 3.919 2.710 ( 6.055 0.000 0.358) 6.065 2.831 ( -0.287 0.000 1.779) 1.802 3.123 ( -2.368 0.000 0.445) 2.409 3.520 ( 8.497 0.000 -8.408) 11.954 3.788 ( 1.886 0.000 -7.045) 7.293 9.870 ( -0.040 0.000 -1.090) 1.091 9.912 ( -0.787 0.000 0.701) 1.054 9.930 ( 0.720 0.000 -0.013) 0.720 9.936 ( 2.309 0.000 -1.760) 2.903 9.989 ( 0.311 0.000 -1.373) 1.408 10.048 ( -0.188 0.000 1.422) 1.435 10.114 ( -0.724 0.000 -0.016) 0.724 10.202 ( -2.305 0.000 -2.227) 3.205 14.622 ( 0.027 0.000 0.468) 0.469 14.626 ( -0.038 0.000 0.390) 0.392 14.632 ( -1.171 0.000 0.877) 1.463 14.691 ( -0.908 0.000 -2.011) 2.207 14.757 ( 0.071 0.000 0.447) 0.452 14.771 ( -0.149 0.000 0.987) 0.998 14.794 ( 0.005 0.000 -0.478) 0.478 14.798 ( -0.047 0.000 -0.476) 0.478 14.917 ( 1.601 0.000 0.572) 1.700 14.971 ( 1.951 0.000 -1.964) 2.768 15.023 ( 0.487 0.000 0.759) 0.902 15.097 ( 0.861 0.000 0.670) 1.091 22.217 ( 0.009 0.000 0.043) 0.044 22.224 ( -0.134 0.000 0.017) 0.135 22.254 ( 0.176 0.000 0.058) 0.186 22.270 ( -0.116 0.000 -0.192) 0.225 29.400 ( 0.251 0.000 1.565) 1.585 29.454 ( -0.563 0.000 2.188) 2.260 29.695 ( 1.802 0.000 -1.386) 2.273 29.895 ( -1.551 0.000 -2.371) 2.833 30.481 ( -1.456 0.000 3.643) 3.924 30.641 ( 0.804 0.000 3.382) 3.476 30.908 ( -29.193 0.000 30.977) 42.565 31.294 ( -6.244 0.000 6.843) 9.263 31.722 ( 5.433 0.000 1.587) 5.660 32.278 ( -4.243 0.000 1.461) 4.487 33.424 ( 32.297 0.000 -34.040) 46.923 33.765 ( 1.278 0.000 -10.892) 10.966 ======================= Grid point 65 (23/80) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.443 ( 9.426 0.000 0.717) 9.453 0.509 ( 8.350 0.000 10.898) 13.729 0.661 ( -1.762 0.000 1.098) 2.076 0.704 ( 1.370 0.000 -1.776) 2.243 0.792 ( -6.468 0.000 6.877) 9.441 0.816 ( -4.103 0.000 -0.183) 4.107 0.919 ( 16.877 0.000 4.331) 17.424 1.008 ( 6.752 0.000 1.018) 6.828 1.132 ( 1.037 0.000 1.013) 1.449 1.169 ( 1.346 0.000 1.830) 2.271 1.197 ( -0.495 0.000 0.972) 1.091 1.207 ( -0.630 0.000 -0.377) 0.734 1.394 ( -5.287 0.000 0.974) 5.376 1.531 ( 3.744 0.000 2.292) 4.390 1.563 ( -0.004 0.000 1.190) 1.190 1.622 ( -3.608 0.000 3.551) 5.063 1.740 ( -7.333 0.000 1.443) 7.473 1.834 ( -7.526 0.000 3.608) 8.346 1.874 ( 0.733 0.000 0.828) 1.106 1.925 ( -1.765 0.000 0.253) 1.783 2.227 ( 0.546 0.000 -0.602) 0.813 2.282 ( 0.693 0.000 -1.240) 1.420 2.316 ( -3.649 0.000 2.280) 4.303 2.357 ( -3.043 0.000 -2.166) 3.735 2.384 ( 2.543 0.000 -0.063) 2.544 2.430 ( 0.968 0.000 -1.018) 1.405 2.443 ( -0.535 0.000 -0.356) 0.642 2.479 ( 2.490 0.000 0.210) 2.499 2.503 ( -1.507 0.000 -2.079) 2.567 2.552 ( -1.428 0.000 -0.620) 1.557 2.737 ( 2.847 0.000 2.885) 4.053 2.818 ( -1.212 0.000 1.949) 2.295 2.838 ( 7.349 0.000 1.388) 7.479 3.064 ( -4.265 0.000 0.684) 4.320 3.636 ( 5.188 0.000 -5.537) 7.588 3.784 ( -2.112 0.000 -6.598) 6.928 9.874 ( 0.408 0.000 -0.832) 0.927 9.898 ( -0.775 0.000 -0.007) 0.776 9.948 ( 1.217 0.000 -0.119) 1.223 9.989 ( -0.478 0.000 -1.047) 1.151 9.992 ( 3.676 0.000 -1.911) 4.143 10.050 ( 0.639 0.000 1.076) 1.252 10.095 ( -1.258 0.000 0.104) 1.262 10.143 ( -3.883 0.000 -2.166) 4.446 14.623 ( 0.052 0.000 0.456) 0.459 14.626 ( -0.064 0.000 0.411) 0.415 14.629 ( 0.570 0.000 -0.150) 0.589 14.670 ( -1.299 0.000 -1.714) 2.150 14.758 ( 0.133 0.000 0.407) 0.428 14.767 ( -0.263 0.000 0.678) 0.728 14.795 ( 0.026 0.000 -0.483) 0.483 14.797 ( -0.069 0.000 -0.481) 0.486 14.952 ( 1.901 0.000 0.076) 1.903 14.985 ( 0.058 0.000 -1.492) 1.493 15.039 ( 1.257 0.000 1.698) 2.113 15.095 ( -0.967 0.000 2.395) 2.582 22.217 ( 0.047 0.000 0.040) 0.062 22.221 ( -0.153 0.000 0.039) 0.158 22.258 ( 0.256 0.000 -0.015) 0.256 22.267 ( -0.211 0.000 -0.153) 0.260 29.408 ( 0.618 0.000 1.747) 1.853 29.440 ( -0.914 0.000 2.110) 2.300 29.740 ( 2.976 0.000 -1.652) 3.404 29.855 ( -2.741 0.000 -2.204) 3.517 30.459 ( -0.828 0.000 5.275) 5.340 30.523 ( -6.613 0.000 14.612) 16.039 30.821 ( 6.701 0.000 5.781) 8.850 31.149 ( -9.135 0.000 4.929) 10.380 31.852 ( 8.389 0.000 2.291) 8.696 32.169 ( -7.423 0.000 1.797) 7.637 33.733 ( 7.265 0.000 -20.527) 21.775 33.791 ( 1.251 0.000 -11.774) 11.840 ======================= Grid point 66 (24/80) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.587 ( -6.079 0.000 0.541) 6.103 0.587 ( 6.079 0.000 0.541) 6.103 0.658 ( -7.857 0.000 9.631) 12.429 0.658 ( 7.857 0.000 9.631) 12.429 0.748 ( -3.194 0.000 -0.688) 3.267 0.748 ( 3.194 0.000 -0.688) 3.267 1.095 ( -2.722 0.000 1.086) 2.931 1.095 ( 2.722 0.000 1.086) 2.931 1.181 ( -8.136 0.000 -0.576) 8.156 1.181 ( 8.136 0.000 -0.576) 8.156 1.187 ( -0.693 0.000 1.451) 1.608 1.187 ( 0.693 0.000 1.451) 1.608 1.392 ( -9.678 0.000 2.372) 9.965 1.392 ( 9.678 0.000 2.372) 9.965 1.625 ( -3.543 0.000 -0.204) 3.549 1.625 ( 3.543 0.000 -0.204) 3.549 1.703 ( -5.679 0.000 5.255) 7.737 1.703 ( 5.679 0.000 5.255) 7.737 1.894 ( -1.448 0.000 0.684) 1.602 1.894 ( 1.448 0.000 0.684) 1.602 2.255 ( -2.563 0.000 -0.274) 2.578 2.255 ( 2.563 0.000 -0.274) 2.578 2.309 ( -2.123 0.000 -1.673) 2.703 2.309 ( 2.123 0.000 -1.673) 2.703 2.425 ( -1.531 0.000 0.016) 1.531 2.425 ( 1.531 0.000 0.016) 1.531 2.461 ( -2.242 0.000 -1.551) 2.726 2.461 ( 2.242 0.000 -1.551) 2.726 2.524 ( -1.865 0.000 -0.310) 1.890 2.524 ( 1.865 0.000 -0.310) 1.890 2.785 ( -2.294 0.000 2.335) 3.273 2.785 ( 2.294 0.000 2.335) 3.273 2.966 ( -6.316 0.000 1.302) 6.449 2.966 ( 6.316 0.000 1.302) 6.449 3.723 ( -4.229 0.000 -5.425) 6.878 3.723 ( 4.229 0.000 -5.425) 6.878 9.884 ( -0.697 0.000 -0.483) 0.848 9.884 ( 0.697 0.000 -0.483) 0.848 9.972 ( -1.245 0.000 -0.409) 1.310 9.972 ( 1.245 0.000 -0.409) 1.310 10.066 ( -4.295 0.000 -2.056) 4.762 10.066 ( 4.295 0.000 -2.056) 4.762 10.070 ( -1.357 0.000 0.416) 1.419 10.070 ( 1.357 0.000 0.416) 1.419 14.624 ( -0.069 0.000 0.435) 0.441 14.624 ( 0.069 0.000 0.435) 0.441 14.647 ( -1.203 0.000 -1.060) 1.603 14.647 ( 1.203 0.000 -1.060) 1.603 14.762 ( -0.245 0.000 0.434) 0.498 14.762 ( 0.245 0.000 0.434) 0.498 14.795 ( -0.056 0.000 -0.484) 0.487 14.795 ( 0.056 0.000 -0.484) 0.487 14.978 ( -0.872 0.000 -0.868) 1.231 14.978 ( 0.872 0.000 -0.868) 1.231 15.068 ( -1.757 0.000 2.737) 3.252 15.068 ( 1.757 0.000 2.737) 3.252 22.219 ( -0.107 0.000 0.043) 0.116 22.219 ( 0.107 0.000 0.043) 0.116 22.263 ( -0.261 0.000 -0.092) 0.277 22.263 ( 0.261 0.000 -0.092) 0.277 29.423 ( -0.914 0.000 1.952) 2.156 29.423 ( 0.914 0.000 1.952) 2.156 29.799 ( -3.277 0.000 -1.950) 3.813 29.799 ( 3.277 0.000 -1.950) 3.813 30.459 ( -1.208 0.000 8.583) 8.668 30.459 ( 1.208 0.000 8.583) 8.668 30.975 ( -9.391 0.000 4.209) 10.292 30.975 ( 9.391 0.000 4.209) 10.292 32.015 ( -9.002 0.000 2.231) 9.275 32.015 ( 9.002 0.000 2.231) 9.275 33.797 ( -0.936 0.000 -13.971) 14.002 33.797 ( 0.936 0.000 -13.971) 14.002 ======================= Grid point 70 (25/80) ======================= q-point: ( 0.00 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.289 ( 0.000 7.168 6.416) 9.620 0.312 ( 0.000 8.273 7.283) 11.023 0.570 ( 0.000 11.889 8.060) 14.364 0.704 ( 0.000 3.312 -2.037) 3.888 0.728 ( 0.000 3.148 1.563) 3.515 0.825 ( 0.000 2.110 6.504) 6.838 0.954 ( 0.000 1.455 2.043) 2.508 0.983 ( 0.000 4.842 -1.871) 5.191 1.054 ( 0.000 -3.694 -2.328) 4.366 1.191 ( 0.000 -1.507 0.043) 1.508 1.202 ( 0.000 1.689 -4.064) 4.401 1.374 ( 0.000 -1.110 3.779) 3.939 1.418 ( 0.000 10.483 -2.862) 10.867 1.447 ( 0.000 3.242 4.029) 5.171 1.546 ( 0.000 -2.219 2.631) 3.442 1.754 ( 0.000 -7.075 1.553) 7.244 1.905 ( 0.000 -3.099 -1.714) 3.541 1.959 ( 0.000 -1.207 4.221) 4.390 1.968 ( 0.000 -2.812 -0.931) 2.962 1.985 ( 0.000 -1.911 0.911) 2.117 2.097 ( 0.000 -0.345 1.451) 1.491 2.257 ( 0.000 -0.720 3.590) 3.662 2.343 ( 0.000 -0.619 1.552) 1.671 2.375 ( 0.000 5.275 2.612) 5.886 2.401 ( 0.000 -1.680 -3.928) 4.273 2.461 ( 0.000 0.478 0.313) 0.571 2.482 ( 0.000 -0.025 -0.943) 0.943 2.501 ( 0.000 1.372 -0.412) 1.433 2.575 ( 0.000 1.150 -0.536) 1.269 2.615 ( 0.000 0.349 1.080) 1.134 2.659 ( 0.000 1.628 -1.062) 1.943 2.704 ( 0.000 3.426 1.762) 3.853 2.801 ( 0.000 -2.496 2.415) 3.474 3.123 ( 0.000 -3.283 1.618) 3.660 3.392 ( 0.000 0.343 -6.065) 6.075 3.627 ( 0.000 -8.987 0.963) 9.038 9.863 ( 0.000 -0.395 -0.805) 0.897 9.896 ( 0.000 -1.009 -1.283) 1.632 9.912 ( 0.000 -0.517 0.463) 0.694 9.985 ( 0.000 5.211 -0.494) 5.234 10.008 ( 0.000 0.342 -0.952) 1.011 10.071 ( 0.000 3.259 0.570) 3.309 10.106 ( 0.000 -1.353 0.087) 1.356 10.198 ( 0.000 -2.367 -2.224) 3.248 14.609 ( 0.000 -0.314 0.225) 0.386 14.629 ( 0.000 0.169 0.005) 0.169 14.684 ( 0.000 0.714 -0.930) 1.172 14.696 ( 0.000 -0.428 -1.981) 2.027 14.767 ( 0.000 0.947 0.510) 1.075 14.772 ( 0.000 0.092 1.238) 1.241 14.800 ( 0.000 0.177 -0.249) 0.305 14.802 ( 0.000 0.209 -0.100) 0.232 14.909 ( 0.000 0.399 0.850) 0.939 14.925 ( 0.000 0.382 0.428) 0.574 15.007 ( 0.000 -1.157 0.479) 1.253 15.064 ( 0.000 -1.573 0.047) 1.574 22.216 ( 0.000 -0.053 -0.002) 0.053 22.225 ( 0.000 -0.030 0.002) 0.030 22.250 ( 0.000 -0.243 0.125) 0.274 22.268 ( 0.000 -0.344 -0.225) 0.411 29.493 ( 0.000 3.192 1.717) 3.624 29.750 ( 0.000 6.852 -1.384) 6.990 29.770 ( 0.000 20.530 -22.137) 30.191 29.902 ( 0.000 -0.692 -2.444) 2.541 30.514 ( 0.000 1.513 1.934) 2.455 30.611 ( 0.000 -0.338 1.845) 1.875 31.322 ( 0.000 -2.711 9.534) 9.912 31.634 ( 0.000 -2.187 -0.345) 2.214 31.789 ( 0.000 -0.853 0.506) 0.991 32.274 ( 0.000 -14.318 13.860) 19.927 32.338 ( 0.000 -0.152 3.617) 3.620 33.648 ( 0.000 -9.981 -9.890) 14.051 ======================= Grid point 71 (26/80) ======================= q-point: ( 0.17 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.331 ( 4.781 6.125 2.911) 8.297 0.394 ( 6.437 3.878 9.294) 11.952 0.662 ( 5.659 3.634 1.986) 7.013 0.721 ( 1.930 4.215 -1.962) 5.034 0.734 ( 2.605 5.128 4.233) 7.141 0.860 ( 4.483 0.952 5.494) 7.154 0.910 ( -3.581 2.166 2.137) 4.700 0.990 ( -0.303 5.942 -1.282) 6.086 1.065 ( 1.196 -3.389 -2.215) 4.222 1.140 ( -2.866 -2.147 -1.960) 4.082 1.230 ( 0.510 3.093 0.513) 3.177 1.336 ( -1.927 3.362 3.730) 5.379 1.460 ( 1.485 4.802 -3.804) 6.304 1.469 ( 2.643 2.346 4.487) 5.712 1.528 ( -1.301 -2.591 5.028) 5.804 1.690 ( -5.425 -4.484 3.010) 7.655 1.851 ( -5.469 -3.203 -0.708) 6.378 1.860 ( -4.638 -1.567 2.134) 5.340 1.936 ( -3.030 -1.338 0.637) 3.373 1.974 ( -1.265 0.624 0.707) 1.578 2.189 ( 3.934 -1.381 0.013) 4.170 2.251 ( -0.296 -0.942 2.220) 2.430 2.339 ( -0.233 0.588 0.080) 0.638 2.372 ( -0.042 -0.716 -0.260) 0.763 2.419 ( 0.726 0.907 -1.053) 1.568 2.451 ( -0.931 2.428 -1.881) 3.209 2.461 ( -0.431 1.502 0.243) 1.582 2.518 ( 1.039 0.856 0.174) 1.358 2.566 ( -0.508 4.607 -0.183) 4.638 2.605 ( -0.704 1.863 -0.248) 2.007 2.690 ( -0.295 2.423 2.607) 3.572 2.731 ( 5.229 0.461 0.495) 5.273 2.801 ( 0.258 -1.828 2.327) 2.970 3.101 ( -1.951 -2.278 1.034) 3.172 3.465 ( 5.380 -5.239 -6.008) 9.617 3.654 ( 1.938 -10.293 -1.899) 10.645 9.865 ( 0.267 -0.228 -0.799) 0.873 9.904 ( 0.078 -0.774 -0.535) 0.944 9.912 ( 0.852 -0.884 -0.529) 1.337 9.987 ( 0.238 4.652 -0.546) 4.690 10.014 ( 0.363 0.712 -1.011) 1.289 10.078 ( 0.594 3.210 0.258) 3.274 10.094 ( -1.132 -1.493 0.050) 1.874 10.188 ( -1.087 -1.332 -2.057) 2.681 14.607 ( -0.223 -0.695 0.260) 0.775 14.625 ( -0.829 0.025 -0.127) 0.839 14.652 ( -1.481 1.018 0.473) 1.858 14.688 ( -0.723 -0.300 -2.010) 2.157 14.765 ( -0.155 0.697 0.563) 0.909 14.769 ( -0.244 -0.021 1.092) 1.119 14.797 ( -0.098 0.161 -0.100) 0.213 14.802 ( 0.055 0.326 -0.254) 0.417 14.918 ( 1.387 0.125 0.705) 1.561 14.962 ( 1.800 -0.585 -0.779) 2.047 15.011 ( 0.416 -1.175 0.742) 1.450 15.072 ( 0.517 -2.031 0.954) 2.302 22.216 ( 0.010 -0.051 0.001) 0.052 22.223 ( -0.128 -0.035 0.014) 0.133 22.251 ( 0.166 -0.254 0.080) 0.313 22.267 ( -0.113 -0.340 -0.212) 0.417 29.498 ( 0.534 4.100 1.534) 4.410 29.706 ( -4.775 17.839 -12.584) 22.347 29.774 ( 1.090 9.218 -5.127) 10.604 29.895 ( -0.761 0.084 -2.485) 2.600 30.494 ( -1.477 1.271 2.766) 3.384 30.655 ( 3.551 0.669 1.899) 4.082 30.995 ( -33.090 8.250 27.475) 43.794 31.266 ( -5.864 -2.541 8.324) 10.494 31.719 ( 5.218 -0.199 1.702) 5.492 32.276 ( -4.148 -0.090 1.231) 4.327 33.073 ( 36.250 -26.363 -14.813) 47.207 33.654 ( 0.531 -10.603 -9.940) 14.543 ======================= Grid point 72 (27/80) ======================= q-point: ( 0.33 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.432 ( 5.777 -0.186 0.402) 5.794 0.523 ( 7.394 1.674 10.380) 12.854 0.631 ( -4.532 -3.163 0.636) 5.563 0.753 ( -0.130 3.212 -0.777) 3.307 0.813 ( -1.890 2.226 4.470) 5.339 0.865 ( 0.519 4.733 -1.598) 5.022 1.009 ( 5.927 0.905 0.039) 5.996 1.013 ( 8.812 6.700 1.539) 11.176 1.094 ( 1.098 -4.826 -2.547) 5.567 1.105 ( 1.396 -0.543 1.415) 2.061 1.215 ( -2.134 2.090 1.415) 3.305 1.319 ( -0.068 4.759 4.946) 6.864 1.404 ( -5.400 1.091 2.951) 6.250 1.532 ( 3.239 0.634 1.705) 3.715 1.553 ( 1.091 -0.445 0.638) 1.340 1.606 ( -3.025 -1.366 3.250) 4.645 1.706 ( -7.261 -2.830 0.965) 7.852 1.790 ( -4.577 -2.353 2.257) 5.619 1.902 ( -0.396 1.186 0.319) 1.290 1.945 ( -1.787 1.490 0.305) 2.347 2.217 ( 0.460 -0.403 0.157) 0.631 2.252 ( -0.344 -0.643 0.438) 0.851 2.339 ( 0.313 -2.493 -2.315) 3.417 2.366 ( -0.654 -2.005 -1.187) 2.420 2.417 ( -0.072 2.384 -1.711) 2.935 2.434 ( -0.782 5.003 -1.443) 5.265 2.480 ( 1.582 3.160 0.739) 3.610 2.534 ( 0.318 3.298 0.113) 3.315 2.559 ( -0.327 5.047 0.364) 5.071 2.582 ( -1.256 4.328 0.117) 4.508 2.705 ( 1.724 -1.906 2.885) 3.863 2.770 ( -0.890 -4.256 1.518) 4.605 2.865 ( 6.131 1.946 1.823) 6.686 3.053 ( -3.421 -1.141 1.070) 3.762 3.554 ( 4.369 -7.771 -4.473) 9.974 3.666 ( -0.915 -10.398 -3.974) 11.169 9.873 ( 0.526 -0.048 -0.722) 0.894 9.896 ( -0.622 -0.159 -0.315) 0.715 9.945 ( 2.280 -1.735 -1.052) 3.052 9.993 ( 0.344 3.074 -0.790) 3.192 10.016 ( -0.108 1.375 -0.537) 1.480 10.059 ( -2.143 -2.322 -0.430) 3.189 10.100 ( 1.359 3.701 -0.176) 3.947 10.162 ( -1.702 0.963 -1.550) 2.495 14.602 ( -0.218 -1.295 0.283) 1.344 14.605 ( -0.719 -1.059 0.332) 1.323 14.648 ( 0.369 0.816 -0.398) 0.980 14.673 ( -0.888 0.036 -1.837) 2.041 14.763 ( -0.122 0.351 0.667) 0.764 14.765 ( -0.231 -0.042 0.940) 0.969 14.798 ( 0.124 0.261 -0.207) 0.355 14.802 ( -0.031 0.418 -0.321) 0.528 14.949 ( 1.693 -0.273 0.122) 1.719 14.978 ( 0.151 -0.672 -1.071) 1.273 15.024 ( 1.112 -1.318 1.710) 2.429 15.071 ( -0.699 -2.044 2.344) 3.187 22.217 ( 0.049 -0.047 0.010) 0.069 22.221 ( -0.152 -0.040 0.028) 0.160 22.255 ( 0.242 -0.279 -0.015) 0.370 22.264 ( -0.202 -0.328 -0.173) 0.422 29.514 ( 1.310 6.762 0.840) 6.939 29.614 ( -4.512 16.028 -5.446) 17.519 29.803 ( 1.951 6.341 -2.835) 7.214 29.874 ( -1.524 1.988 -2.499) 3.539 30.475 ( -0.465 1.551 5.080) 5.332 30.581 ( -8.785 5.866 15.605) 18.844 30.811 ( 6.176 -0.936 6.546) 9.049 31.128 ( -8.786 -1.950 6.271) 10.969 31.848 ( 8.406 -0.342 2.179) 8.690 32.167 ( -7.481 -0.098 1.637) 7.659 33.491 ( 12.656 -21.445 -14.963) 29.051 33.659 ( -0.312 -12.486 -10.390) 16.247 ======================= Grid point 73 (28/80) ======================= q-point: (-0.50 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( -5.402 -4.165 0.844) 6.874 0.536 ( 5.402 -4.166 0.844) 6.874 0.661 ( -7.180 0.694 7.415) 10.345 0.661 ( 7.180 0.694 7.415) 10.345 0.836 ( -2.564 6.827 -1.494) 7.444 0.836 ( 2.564 6.827 -1.494) 7.444 1.073 ( -1.260 -2.183 -1.262) 2.819 1.073 ( 1.260 -2.183 -1.262) 2.819 1.140 ( -5.801 -1.161 -0.805) 5.970 1.140 ( 5.801 -1.161 -0.805) 5.970 1.264 ( -7.689 4.119 2.896) 9.191 1.264 ( 7.689 4.119 2.896) 9.191 1.410 ( -8.346 1.839 4.903) 9.853 1.410 ( 8.346 1.839 4.903) 9.853 1.598 ( -2.585 -2.108 -0.072) 3.336 1.598 ( 2.585 -2.108 -0.072) 3.336 1.694 ( -5.071 -0.624 3.563) 6.229 1.694 ( 5.071 -0.624 3.563) 6.229 1.914 ( -1.419 1.493 0.137) 2.064 1.914 ( 1.419 1.493 0.137) 2.064 2.233 ( -1.286 -0.439 -0.398) 1.416 2.233 ( 1.286 -0.439 -0.398) 1.416 2.351 ( -0.875 -2.665 -2.287) 3.619 2.351 ( 0.875 -2.665 -2.287) 3.619 2.422 ( -0.491 4.295 -1.258) 4.503 2.422 ( 0.491 4.295 -1.258) 4.503 2.512 ( -1.914 4.666 0.230) 5.049 2.512 ( 1.914 4.666 0.230) 5.049 2.567 ( -0.741 4.286 0.723) 4.409 2.567 ( 0.741 4.286 0.723) 4.409 2.741 ( -1.967 -3.897 2.114) 4.851 2.741 ( 1.967 -3.897 2.114) 4.851 2.973 ( -5.289 0.431 1.544) 5.526 2.973 ( 5.289 0.431 1.544) 5.526 3.625 ( -3.257 -9.139 -4.102) 10.533 3.625 ( 3.257 -9.139 -4.102) 10.533 9.884 ( -0.661 -0.031 -0.555) 0.863 9.884 ( 0.661 -0.031 -0.555) 0.863 9.985 ( -1.599 -0.252 -0.977) 1.891 9.985 ( 1.599 -0.252 -0.977) 1.891 10.023 ( -1.323 -0.019 -0.413) 1.386 10.023 ( 1.323 -0.019 -0.413) 1.386 10.129 ( -1.754 2.905 -0.890) 3.509 10.129 ( 1.754 2.905 -0.890) 3.509 14.600 ( -0.013 -1.571 0.292) 1.598 14.600 ( 0.013 -1.571 0.292) 1.598 14.658 ( -0.694 0.496 -1.251) 1.514 14.658 ( 0.694 0.496 -1.251) 1.514 14.762 ( -0.059 0.093 0.795) 0.803 14.762 ( 0.059 0.093 0.795) 0.803 14.800 ( -0.124 0.387 -0.299) 0.504 14.800 ( 0.124 0.387 -0.299) 0.504 14.972 ( -0.758 -0.567 -0.755) 1.211 14.972 ( 0.758 -0.567 -0.755) 1.211 15.050 ( -1.480 -1.630 2.667) 3.458 15.050 ( 1.480 -1.630 2.667) 3.458 22.218 ( -0.109 -0.043 0.024) 0.120 22.218 ( 0.109 -0.043 0.024) 0.120 22.260 ( -0.248 -0.307 -0.106) 0.409 22.260 ( 0.248 -0.307 -0.106) 0.409 29.549 ( -2.605 10.985 -0.963) 11.331 29.549 ( 2.605 10.985 -0.963) 11.331 29.841 ( -2.035 4.223 -2.533) 5.329 29.841 ( 2.035 4.223 -2.533) 5.329 30.487 ( -2.241 2.825 9.469) 10.132 30.487 ( 2.241 2.825 9.469) 10.132 30.960 ( -9.104 -1.436 5.061) 10.515 30.960 ( 9.104 -1.436 5.061) 10.515 32.012 ( -9.081 -0.237 2.070) 9.317 32.012 ( 9.081 -0.237 2.070) 9.317 33.628 ( -3.690 -15.881 -11.913) 20.193 33.628 ( 3.690 -15.881 -11.913) 20.193 ======================= Grid point 77 (29/80) ======================= q-point: ( 0.00 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.392 ( 0.000 4.610 5.572) 7.232 0.494 ( 0.000 9.193 4.241) 10.124 0.756 ( 0.000 1.471 0.414) 1.528 0.757 ( 0.000 1.580 -0.968) 1.853 0.776 ( 0.000 5.430 -0.593) 5.463 0.953 ( 0.000 -5.410 -3.205) 6.288 0.972 ( 0.000 7.256 4.450) 8.512 1.028 ( 0.000 9.597 6.870) 11.802 1.085 ( 0.000 2.500 -1.778) 3.068 1.183 ( 0.000 2.262 2.256) 3.195 1.211 ( 0.000 -0.325 -2.556) 2.577 1.346 ( 0.000 -1.329 0.189) 1.343 1.452 ( 0.000 -4.214 3.084) 5.223 1.533 ( 0.000 4.866 6.071) 7.780 1.593 ( 0.000 0.718 0.697) 1.000 1.673 ( 0.000 2.439 -4.787) 5.373 1.782 ( 0.000 -9.142 -1.718) 9.302 1.889 ( 0.000 -2.826 -0.605) 2.890 1.951 ( 0.000 1.046 4.010) 4.144 1.978 ( 0.000 -0.256 -2.557) 2.570 2.106 ( 0.000 1.316 1.056) 1.687 2.251 ( 0.000 0.174 5.280) 5.282 2.348 ( 0.000 -0.728 1.038) 1.267 2.361 ( 0.000 -1.312 -3.269) 3.523 2.444 ( 0.000 0.983 2.199) 2.409 2.449 ( 0.000 -1.501 0.357) 1.542 2.506 ( 0.000 2.053 -0.660) 2.157 2.520 ( 0.000 0.198 -0.322) 0.378 2.603 ( 0.000 -0.588 1.154) 1.296 2.666 ( 0.000 7.017 1.711) 7.223 2.667 ( 0.000 -2.250 0.037) 2.250 2.772 ( 0.000 1.161 1.756) 2.105 2.798 ( 0.000 5.518 0.392) 5.532 3.043 ( 0.000 -4.272 1.881) 4.668 3.290 ( 0.000 -9.945 -2.428) 10.237 3.481 ( 0.000 -5.365 0.270) 5.371 9.860 ( 0.000 0.075 -0.715) 0.719 9.881 ( 0.000 -0.492 -0.934) 1.056 9.907 ( 0.000 -0.044 -0.499) 0.501 9.991 ( 0.000 -1.386 0.061) 1.387 10.056 ( 0.000 -1.646 -0.685) 1.783 10.126 ( 0.000 6.529 0.064) 6.529 10.131 ( 0.000 -3.298 -2.476) 4.124 10.176 ( 0.000 5.436 -0.491) 5.458 14.609 ( 0.000 0.206 -0.475) 0.518 14.632 ( 0.000 0.153 -0.454) 0.479 14.687 ( 0.000 -0.282 -1.962) 1.982 14.694 ( 0.000 0.452 -0.192) 0.491 14.776 ( 0.000 0.241 1.580) 1.598 14.787 ( 0.000 0.910 0.318) 0.964 14.798 ( 0.000 -0.438 0.482) 0.651 14.804 ( 0.000 0.215 0.005) 0.215 14.919 ( 0.000 0.648 0.851) 1.069 14.935 ( 0.000 0.472 0.359) 0.593 14.977 ( 0.000 -1.785 0.397) 1.829 15.022 ( 0.000 -2.464 0.173) 2.471 22.215 ( 0.000 -0.013 -0.131) 0.132 22.224 ( 0.000 0.009 0.035) 0.036 22.244 ( 0.000 -0.315 0.210) 0.379 22.259 ( 0.000 -0.551 -0.254) 0.607 29.574 ( 0.000 4.513 0.582) 4.550 29.878 ( 0.000 -1.496 -2.211) 2.669 29.921 ( 0.000 9.290 -1.416) 9.397 30.056 ( 0.000 9.675 -20.535) 22.699 30.558 ( 0.000 2.607 -2.729) 3.774 30.589 ( 0.000 -1.880 2.689) 3.281 31.263 ( 0.000 -2.464 14.525) 14.732 31.574 ( 0.000 -3.408 1.777) 3.843 31.767 ( 0.000 -1.176 0.526) 1.288 32.077 ( 0.000 -6.708 13.501) 15.075 32.343 ( 0.000 0.977 2.790) 2.956 33.380 ( 0.000 -16.052 -7.801) 17.848 ======================= Grid point 78 (30/80) ======================= q-point: ( 0.17 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.431 ( 3.727 3.910 4.944) 7.323 0.519 ( 1.630 8.091 3.554) 8.986 0.701 ( -6.097 0.631 -0.158) 6.132 0.782 ( 1.301 0.336 1.339) 1.897 0.793 ( 3.355 2.094 -1.640) 4.282 0.963 ( 0.500 4.479 3.043) 5.438 0.979 ( 0.645 1.908 -1.205) 2.347 0.994 ( -1.353 -0.495 -0.282) 1.468 1.108 ( 2.126 5.404 1.850) 6.094 1.146 ( -1.843 4.630 -1.879) 5.326 1.266 ( 2.027 0.391 2.566) 3.293 1.344 ( 0.405 -0.361 0.783) 0.952 1.443 ( -1.255 -3.752 5.871) 7.079 1.524 ( -0.295 2.165 3.976) 4.537 1.582 ( -1.057 -0.096 1.121) 1.544 1.649 ( -2.352 4.580 -3.624) 6.296 1.747 ( -3.600 -6.311 -0.502) 7.283 1.834 ( -4.301 -0.831 0.115) 4.382 1.925 ( -0.915 0.435 1.557) 1.858 1.975 ( -0.349 -0.474 -2.072) 2.154 2.182 ( 4.450 0.258 -0.095) 4.459 2.235 ( -1.343 -0.505 3.706) 3.974 2.318 ( -3.080 -2.791 -2.695) 4.954 2.354 ( -0.555 -0.001 1.298) 1.411 2.443 ( 0.639 -0.396 0.114) 0.761 2.480 ( 2.195 0.590 1.730) 2.857 2.501 ( 0.385 2.103 -0.294) 2.158 2.552 ( 2.856 1.408 0.230) 3.192 2.603 ( 0.476 0.237 0.294) 0.608 2.669 ( 0.397 0.215 0.323) 0.555 2.688 ( 0.519 2.586 1.788) 3.187 2.795 ( -0.245 5.841 0.911) 5.917 2.813 ( 4.294 2.247 1.391) 5.042 3.038 ( -0.608 -3.686 1.728) 4.116 3.308 ( 1.892 -10.579 -2.311) 10.993 3.467 ( -1.395 -7.515 -0.213) 7.646 9.864 ( 0.369 0.067 -0.715) 0.808 9.887 ( 0.643 -0.657 -1.001) 1.358 9.905 ( -0.122 -0.101 -0.429) 0.458 10.007 ( 1.367 -0.811 -0.257) 1.610 10.036 ( -1.723 -2.442 -0.780) 3.088 10.112 ( -0.865 5.348 -0.907) 5.493 10.150 ( 1.207 -0.983 -1.352) 2.062 10.178 ( 0.225 5.009 -0.577) 5.047 14.599 ( -0.849 -0.054 -0.240) 0.884 14.628 ( -1.052 0.256 -0.776) 1.332 14.669 ( -1.530 0.547 0.388) 1.670 14.683 ( -0.571 -0.033 -1.869) 1.955 14.770 ( -0.399 0.115 1.093) 1.170 14.780 ( -0.478 0.684 0.446) 0.946 14.798 ( 0.104 -0.088 0.599) 0.614 14.808 ( 0.210 0.347 -0.041) 0.408 14.923 ( 0.801 0.371 0.805) 1.195 14.953 ( 1.030 -0.298 -0.095) 1.076 14.980 ( 0.404 -1.747 0.637) 1.902 15.026 ( 0.258 -2.499 0.863) 2.656 22.215 ( 0.023 -0.003 -0.114) 0.116 22.223 ( -0.133 0.015 0.037) 0.139 22.245 ( 0.128 -0.345 0.142) 0.394 22.258 ( -0.101 -0.546 -0.244) 0.607 29.599 ( 2.725 5.545 0.015) 6.178 29.877 ( -0.197 1.063 -3.007) 3.195 29.930 ( 0.894 7.793 -1.422) 7.972 30.033 ( -2.420 10.206 -19.108) 21.798 30.526 ( -1.569 1.487 0.234) 2.174 30.653 ( 5.067 -0.696 1.574) 5.351 31.168 ( -26.187 6.240 16.879) 31.774 31.218 ( -7.602 -0.382 13.574) 15.562 31.720 ( 4.503 0.484 1.862) 4.897 32.280 ( -3.357 0.562 0.336) 3.421 32.593 ( 28.161 -20.249 -0.522) 34.689 33.371 ( -1.129 -16.905 -7.808) 18.655 ======================= Grid point 79 (31/80) ======================= q-point: ( 0.33 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.470 ( -1.140 3.821 0.359) 4.003 0.545 ( -0.131 -1.555 -3.400) 3.741 0.595 ( -1.493 2.468 10.039) 10.445 0.775 ( -2.855 -0.149 3.675) 4.656 0.875 ( 5.000 2.762 -2.627) 6.287 0.944 ( -0.586 -0.252 -2.833) 2.904 1.006 ( 2.941 -0.320 0.052) 2.959 1.017 ( 0.420 -2.199 -3.095) 3.820 1.116 ( -1.138 5.945 -1.744) 6.299 1.183 ( 5.644 4.782 2.022) 7.669 1.246 ( -2.531 1.617 1.196) 3.233 1.374 ( 2.088 2.069 6.055) 6.730 1.405 ( -2.575 -1.282 7.538) 8.069 1.532 ( 0.911 -1.149 2.186) 2.632 1.551 ( -2.800 -1.685 2.198) 3.938 1.612 ( -2.718 1.229 -0.942) 3.128 1.670 ( -2.292 1.707 0.509) 2.903 1.764 ( -3.439 -0.146 -1.013) 3.588 1.920 ( 0.323 0.704 -0.384) 0.864 1.961 ( -1.174 -0.241 -1.240) 1.724 2.215 ( -0.035 -0.183 1.825) 1.834 2.238 ( 1.636 -1.416 -1.089) 2.423 2.266 ( -2.307 -3.193 -2.440) 4.633 2.322 ( -2.567 -1.535 -0.740) 3.081 2.465 ( 1.594 0.997 0.283) 1.901 2.500 ( 0.270 1.170 1.152) 1.664 2.546 ( 3.530 2.260 0.842) 4.275 2.601 ( 1.674 -0.212 0.344) 1.722 2.639 ( 3.564 6.298 0.859) 7.288 2.663 ( -0.830 -3.837 1.035) 4.060 2.677 ( -1.323 5.386 1.710) 5.803 2.781 ( -1.666 7.210 1.768) 7.609 2.903 ( 4.736 1.712 1.078) 5.150 3.018 ( -1.613 -2.244 1.364) 3.082 3.351 ( 2.560 -11.929 -2.039) 12.370 3.435 ( -1.938 -11.283 -1.099) 11.501 9.873 ( 0.542 0.033 -0.713) 0.896 9.892 ( -0.330 -0.206 -0.848) 0.933 9.915 ( 1.459 -1.129 -0.601) 1.941 9.993 ( -2.330 -2.484 -0.776) 3.493 10.041 ( 1.669 0.875 -0.725) 2.019 10.093 ( -1.118 5.036 -0.893) 5.235 10.169 ( 0.831 0.244 -1.152) 1.441 10.182 ( 0.092 3.792 -0.761) 3.869 14.584 ( -0.708 -0.408 -0.007) 0.817 14.595 ( -1.676 0.134 0.083) 1.683 14.659 ( 0.056 0.210 -0.552) 0.593 14.672 ( -0.594 -0.018 -1.814) 1.909 14.765 ( -0.119 0.143 0.830) 0.851 14.772 ( -0.401 0.514 0.689) 0.949 14.802 ( 0.280 0.068 0.394) 0.488 14.810 ( -0.047 0.339 0.043) 0.345 14.943 ( 1.091 -0.331 0.197) 1.158 14.963 ( 0.048 -0.777 -0.534) 0.943 14.993 ( 0.955 -1.723 1.504) 2.478 15.026 ( -0.355 -2.326 1.911) 3.031 22.216 ( 0.060 0.017 -0.070) 0.094 22.220 ( -0.154 0.024 0.022) 0.158 22.248 ( 0.187 -0.412 0.002) 0.453 22.255 ( -0.174 -0.525 -0.207) 0.590 29.671 ( 4.927 8.001 -1.945) 9.595 29.856 ( -2.828 6.488 -5.674) 9.071 29.947 ( 0.823 6.215 -2.665) 6.812 29.984 ( -2.150 9.795 -12.012) 15.648 30.516 ( 0.828 2.452 4.490) 5.182 30.737 ( -5.574 6.770 8.656) 12.322 30.797 ( -2.528 1.745 14.259) 14.586 31.085 ( -8.315 -1.817 10.423) 13.456 31.845 ( 8.493 0.315 1.809) 8.689 32.173 ( -7.652 0.919 1.147) 7.791 33.007 ( 16.671 -24.720 -6.729) 30.566 33.331 ( -3.485 -19.249 -7.866) 21.084 ======================= Grid point 80 (32/80) ======================= q-point: (-0.50 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.472 ( -2.878 -0.932 -1.118) 3.225 0.472 ( 2.878 -0.932 -1.118) 3.225 0.683 ( -6.232 1.193 6.248) 8.905 0.683 ( 6.232 1.193 6.248) 8.905 0.943 ( -1.453 1.261 -3.453) 3.953 0.943 ( 1.453 1.261 -3.453) 3.953 1.020 ( -0.777 -1.250 -2.204) 2.651 1.020 ( 0.777 -1.250 -2.204) 2.651 1.147 ( -4.431 2.183 -0.140) 4.942 1.147 ( 4.431 2.183 -0.140) 4.942 1.329 ( -5.628 1.951 3.396) 6.857 1.329 ( 5.628 1.951 3.396) 6.857 1.450 ( -6.236 1.928 6.539) 9.240 1.450 ( 6.236 1.928 6.539) 9.240 1.558 ( -1.816 -1.973 1.560) 3.103 1.558 ( 1.816 -1.973 1.560) 3.103 1.700 ( -3.400 1.672 -0.819) 3.876 1.700 ( 3.400 1.672 -0.819) 3.876 1.936 ( -1.339 0.321 -0.994) 1.698 1.936 ( 1.339 0.321 -0.994) 1.698 2.228 ( -1.409 -0.715 0.302) 1.608 2.228 ( 1.409 -0.715 0.302) 1.608 2.275 ( -2.272 -3.056 -2.572) 4.595 2.275 ( 2.272 -3.056 -2.572) 4.595 2.492 ( -1.112 1.613 0.657) 2.066 2.492 ( 1.112 1.613 0.657) 2.066 2.605 ( -2.250 0.979 0.554) 2.516 2.605 ( 2.250 0.979 0.554) 2.516 2.646 ( -0.956 1.764 1.594) 2.563 2.646 ( 0.956 1.764 1.594) 2.563 2.727 ( -4.115 7.213 1.879) 8.514 2.727 ( 4.115 7.213 1.879) 8.514 2.976 ( -3.111 -0.206 1.129) 3.316 2.976 ( 3.111 -0.206 1.129) 3.316 3.396 ( -2.295 -12.747 -1.694) 13.062 3.396 ( 2.295 -12.747 -1.694) 13.062 9.883 ( -0.577 -0.039 -0.725) 0.927 9.883 ( 0.577 -0.039 -0.725) 0.927 9.950 ( -2.208 -1.994 -0.764) 3.072 9.950 ( 2.208 -1.994 -0.764) 3.072 10.070 ( -1.424 3.251 -0.857) 3.652 10.070 ( 1.424 3.251 -0.857) 3.652 10.180 ( -0.319 2.071 -0.962) 2.305 10.180 ( 0.319 2.071 -0.962) 2.305 14.578 ( -0.207 -0.402 0.166) 0.482 14.578 ( 0.207 -0.402 0.166) 0.482 14.663 ( -0.362 0.039 -1.359) 1.407 14.663 ( 0.362 0.039 -1.359) 1.407 14.766 ( -0.199 0.306 0.782) 0.863 14.766 ( 0.199 0.306 0.782) 0.863 14.807 ( -0.249 0.224 0.193) 0.387 14.807 ( 0.249 0.224 0.193) 0.387 14.958 ( -0.545 -0.790 -0.463) 1.065 14.958 ( 0.545 -0.790 -0.463) 1.065 15.012 ( -1.037 -1.936 2.205) 3.112 15.012 ( 1.037 -1.936 2.205) 3.112 22.218 ( -0.114 0.027 -0.018) 0.118 22.218 ( 0.114 0.027 -0.018) 0.118 22.252 ( -0.203 -0.480 -0.126) 0.536 22.252 ( 0.203 -0.480 -0.126) 0.536 29.771 ( -5.674 9.658 -5.281) 12.384 29.771 ( 5.674 9.658 -5.281) 12.384 29.961 ( -0.784 7.181 -5.226) 8.915 29.961 ( 0.784 7.181 -5.226) 8.915 30.572 ( -5.804 5.585 11.468) 14.014 30.572 ( 5.804 5.585 11.468) 14.014 30.925 ( -8.727 -1.820 7.492) 11.645 30.925 ( 8.727 -1.820 7.492) 11.645 32.013 ( -9.345 0.621 1.583) 9.499 32.013 ( 9.345 0.621 1.583) 9.499 33.228 ( -8.174 -22.452 -7.856) 25.152 33.228 ( 8.174 -22.452 -7.856) 25.152 ======================= Grid point 84 (33/80) ======================= q-point: ( 0.00 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.487 ( 0.000 4.850 1.391) 5.046 0.651 ( 0.000 5.616 2.133) 6.007 0.767 ( 0.000 0.626 2.722) 2.793 0.770 ( 0.000 -0.027 0.045) 0.052 0.855 ( 0.000 2.034 0.290) 2.055 0.858 ( 0.000 -3.182 -4.017) 5.125 1.055 ( 0.000 3.302 1.151) 3.496 1.083 ( 0.000 -0.945 0.462) 1.052 1.189 ( 0.000 -1.149 0.070) 1.151 1.228 ( 0.000 -0.503 6.462) 6.481 1.273 ( 0.000 9.533 3.946) 10.317 1.359 ( 0.000 3.181 -4.204) 5.272 1.375 ( 0.000 -2.137 2.009) 2.933 1.562 ( 0.000 -0.941 3.780) 3.896 1.578 ( 0.000 -7.790 0.164) 7.791 1.621 ( 0.000 0.667 5.094) 5.138 1.762 ( 0.000 3.588 -5.648) 6.692 1.849 ( 0.000 -1.240 -1.610) 2.032 1.984 ( 0.000 1.297 -4.360) 4.548 2.002 ( 0.000 3.436 0.771) 3.522 2.148 ( 0.000 2.837 1.029) 3.018 2.267 ( 0.000 1.369 5.893) 6.050 2.310 ( 0.000 -1.728 -1.123) 2.061 2.352 ( 0.000 -0.461 2.848) 2.885 2.413 ( 0.000 -1.946 0.279) 1.966 2.431 ( 0.000 -1.724 1.128) 2.060 2.499 ( 0.000 -2.240 2.137) 3.096 2.514 ( 0.000 -2.830 -1.451) 3.180 2.597 ( 0.000 0.116 -0.299) 0.321 2.613 ( 0.000 -0.954 1.542) 1.813 2.805 ( 0.000 5.707 1.138) 5.819 2.826 ( 0.000 3.162 0.454) 3.194 2.900 ( 0.000 2.755 -1.095) 2.965 2.989 ( 0.000 1.216 3.807) 3.996 3.073 ( 0.000 -10.149 -0.633) 10.169 3.376 ( 0.000 -5.654 0.551) 5.680 9.864 ( 0.000 0.213 -0.717) 0.748 9.874 ( 0.000 -0.225 -0.790) 0.822 9.912 ( 0.000 0.640 -1.185) 1.346 9.965 ( 0.000 -1.048 0.262) 1.081 10.010 ( 0.000 -2.354 -0.091) 2.356 10.053 ( 0.000 -3.913 -2.363) 4.571 10.261 ( 0.000 6.127 -0.592) 6.156 10.288 ( 0.000 5.020 -0.808) 5.084 14.616 ( 0.000 0.419 -0.779) 0.885 14.633 ( 0.000 -0.050 -0.469) 0.471 14.688 ( 0.000 0.347 -1.739) 1.773 14.703 ( 0.000 0.368 0.350) 0.508 14.779 ( 0.000 0.084 1.328) 1.330 14.785 ( 0.000 -0.531 -0.207) 0.570 14.805 ( 0.000 0.633 0.541) 0.833 14.809 ( 0.000 0.260 0.110) 0.282 14.933 ( 0.000 0.635 0.780) 1.006 14.941 ( 0.000 -0.016 0.129) 0.130 14.942 ( 0.000 -1.533 0.299) 1.562 14.974 ( 0.000 -2.094 0.500) 2.153 22.216 ( 0.000 0.115 -0.270) 0.294 22.225 ( 0.000 -0.001 0.048) 0.049 22.238 ( 0.000 -0.216 0.303) 0.372 22.247 ( 0.000 -0.553 -0.212) 0.592 29.662 ( 0.000 4.143 -0.548) 4.179 29.842 ( 0.000 -2.117 -1.958) 2.883 30.092 ( 0.000 7.493 -1.126) 7.577 30.206 ( 0.000 5.707 -16.543) 17.500 30.539 ( 0.000 -2.836 3.396) 4.425 30.593 ( 0.000 0.050 -9.156) 9.156 31.260 ( 0.000 2.799 19.457) 19.658 31.511 ( 0.000 -2.805 4.508) 5.309 31.748 ( 0.000 -0.571 1.112) 1.250 31.958 ( 0.000 -5.921 10.571) 12.116 32.390 ( 0.000 4.040 1.831) 4.435 33.044 ( 0.000 -16.793 -4.847) 17.478 ======================= Grid point 85 (34/80) ======================= q-point: ( 0.17 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.507 ( 2.216 3.832 1.080) 4.556 0.672 ( -1.170 6.189 1.086) 6.391 0.690 ( -5.925 -1.338 1.170) 6.186 0.783 ( 0.732 0.394 2.570) 2.701 0.822 ( 2.727 0.600 -2.372) 3.664 0.932 ( 2.212 -1.467 -0.553) 2.711 0.999 ( -6.090 -0.916 -0.435) 6.174 1.044 ( -1.178 2.694 2.154) 3.645 1.220 ( 0.591 1.389 -2.123) 2.605 1.239 ( 0.369 -0.264 1.053) 1.147 1.256 ( 0.603 4.513 1.995) 4.971 1.377 ( 0.912 -0.909 4.672) 4.846 1.392 ( 2.270 3.835 2.030) 4.897 1.521 ( -3.094 -1.464 2.337) 4.145 1.568 ( -1.605 -2.938 2.820) 4.378 1.623 ( -0.222 -2.367 3.131) 3.931 1.763 ( -0.245 3.710 -5.640) 6.755 1.829 ( -2.347 0.250 -2.127) 3.177 1.947 ( -2.633 0.880 -0.753) 2.877 1.975 ( -1.592 1.546 -2.683) 3.482 2.183 ( 0.854 -0.092 -1.226) 1.497 2.241 ( -1.501 1.210 3.923) 4.372 2.284 ( -1.692 -0.481 -0.763) 1.918 2.338 ( -1.935 -1.304 2.964) 3.772 2.413 ( 1.901 -1.658 2.748) 3.730 2.476 ( 1.087 -1.538 4.041) 4.458 2.507 ( 1.235 -2.123 -0.132) 2.459 2.544 ( 2.840 -2.842 0.679) 4.075 2.599 ( 1.256 0.805 1.002) 1.797 2.654 ( 4.243 1.899 -1.230) 4.809 2.820 ( 1.070 5.562 1.154) 5.781 2.856 ( 2.956 2.112 0.469) 3.663 2.903 ( 0.300 3.342 -0.731) 3.434 2.983 ( -0.522 0.235 3.335) 3.384 3.084 ( 1.127 -10.386 -0.623) 10.466 3.341 ( -3.674 -5.729 0.556) 6.829 9.867 ( 0.303 0.169 -0.736) 0.814 9.878 ( 0.436 -0.298 -0.798) 0.957 9.906 ( -0.467 0.235 -0.853) 1.001 9.980 ( -1.756 -2.379 -0.595) 3.017 9.996 ( 2.623 -0.509 -0.286) 2.688 10.090 ( 2.930 -2.837 -1.781) 4.450 10.245 ( -1.665 5.699 -0.608) 5.969 10.280 ( -0.942 4.448 -0.869) 4.629 14.604 ( -0.982 0.503 -0.481) 1.204 14.633 ( -0.398 0.139 -0.858) 0.956 14.674 ( -1.557 0.242 -0.480) 1.647 14.689 ( -0.983 0.349 -0.590) 1.198 14.773 ( -0.330 0.146 0.419) 0.553 14.790 ( 0.226 -0.004 0.362) 0.427 14.797 ( -0.461 0.288 0.706) 0.890 14.814 ( 0.151 0.173 0.134) 0.266 14.932 ( 0.161 0.454 0.661) 0.818 14.945 ( 0.380 -1.040 0.174) 1.121 14.948 ( 0.410 -0.917 0.251) 1.036 14.979 ( 0.426 -1.943 0.948) 2.204 22.217 ( 0.046 0.127 -0.240) 0.276 22.224 ( -0.087 0.047 0.048) 0.110 22.239 ( 0.036 -0.281 0.217) 0.357 22.246 ( -0.093 -0.555 -0.215) 0.602 29.704 ( 4.462 4.778 -1.433) 6.692 29.869 ( 2.809 -1.027 -2.897) 4.164 30.093 ( -0.027 7.224 -1.701) 7.421 30.185 ( -2.180 5.532 -16.091) 17.154 30.534 ( 0.100 -0.667 0.551) 0.871 30.632 ( 4.017 -1.622 -2.669) 5.088 31.201 ( -6.719 2.461 17.863) 19.243 31.298 ( -17.438 3.569 12.959) 22.017 31.743 ( 4.252 1.936 1.845) 5.023 32.210 ( 15.851 -12.383 0.428) 20.119 32.360 ( -1.697 1.523 3.036) 3.797 33.018 ( -2.843 -17.529 -4.917) 18.426 ======================= Grid point 86 (35/80) ======================= q-point: ( 0.33 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( -5.494 1.899 -2.890) 6.492 0.563 ( 2.629 3.267 0.641) 4.242 0.682 ( -3.585 5.458 5.264) 8.388 0.775 ( -0.666 0.631 3.179) 3.309 0.869 ( -1.234 -3.712 -1.409) 4.158 0.898 ( 0.236 -1.311 -3.778) 4.006 0.972 ( 1.552 -1.929 -1.846) 3.088 1.033 ( -0.118 -0.272 2.477) 2.495 1.218 ( -0.200 3.742 -2.029) 4.261 1.245 ( 0.694 3.165 -1.889) 3.751 1.293 ( 2.502 2.078 -0.639) 3.314 1.378 ( -1.194 -0.508 7.526) 7.637 1.443 ( 2.626 4.022 6.154) 7.806 1.479 ( -0.371 -3.019 1.688) 3.479 1.523 ( -2.977 -1.276 3.477) 4.752 1.599 ( -2.615 -1.393 2.959) 4.187 1.750 ( -0.853 3.624 -4.601) 5.918 1.779 ( -2.509 1.532 -3.036) 4.226 1.918 ( -0.832 -1.889 -1.659) 2.648 1.943 ( -1.781 -0.392 -3.261) 3.736 2.175 ( -0.041 -1.949 -3.207) 3.753 2.230 ( -0.540 1.313 2.833) 3.169 2.253 ( -1.358 -0.212 -1.533) 2.059 2.297 ( -2.372 -0.750 2.528) 3.547 2.455 ( 2.111 -1.488 5.698) 6.256 2.483 ( 0.232 -2.364 4.793) 5.349 2.528 ( 1.001 -2.589 0.146) 2.779 2.565 ( -0.192 -3.341 1.016) 3.498 2.675 ( 5.542 5.048 0.800) 7.539 2.758 ( 6.550 4.435 -0.104) 7.911 2.822 ( -1.277 6.573 1.491) 6.860 2.895 ( -0.101 3.742 0.146) 3.746 2.929 ( 2.919 0.929 0.294) 3.078 2.974 ( -0.379 -1.513 1.647) 2.269 3.111 ( 1.720 -11.001 -0.539) 11.148 3.251 ( -5.637 -6.923 0.482) 8.941 9.874 ( 0.462 0.094 -0.777) 0.909 9.888 ( 0.292 -0.243 -1.012) 1.081 9.900 ( 0.121 -0.398 -0.449) 0.612 9.946 ( -1.766 -2.016 -0.683) 2.766 10.061 ( 4.015 1.090 -0.765) 4.230 10.146 ( 2.896 -0.821 -1.749) 3.481 10.204 ( -2.671 4.173 -0.520) 4.982 10.253 ( -1.984 2.896 -1.003) 3.651 14.587 ( -0.666 0.713 -0.223) 1.001 14.609 ( -1.823 1.114 -0.324) 2.161 14.655 ( -0.208 -0.483 -0.466) 0.702 14.672 ( -0.864 -0.106 -1.183) 1.469 14.770 ( 0.040 0.368 0.286) 0.468 14.783 ( -0.591 0.603 0.468) 0.965 14.800 ( 0.453 -0.263 0.544) 0.755 14.814 ( -0.194 -0.023 0.259) 0.325 14.937 ( 0.372 -0.158 0.222) 0.461 14.948 ( -0.090 -0.720 -0.228) 0.761 14.961 ( 0.917 -1.337 1.159) 1.993 14.983 ( -0.048 -1.830 1.417) 2.315 22.218 ( 0.083 0.154 -0.157) 0.235 22.222 ( -0.119 0.128 0.020) 0.176 22.240 ( 0.081 -0.408 0.033) 0.418 22.244 ( -0.142 -0.549 -0.202) 0.602 29.813 ( 6.848 6.075 -4.147) 10.049 29.930 ( 3.081 2.179 -5.396) 6.584 30.081 ( -1.410 5.698 -4.859) 7.620 30.133 ( -3.194 4.992 -13.259) 14.523 30.565 ( 3.957 2.448 4.750) 6.650 30.736 ( 7.276 -2.180 4.151) 8.656 30.950 ( -16.322 8.046 16.186) 24.354 31.074 ( -9.586 0.892 15.481) 18.231 31.872 ( 9.008 2.718 1.189) 9.484 32.216 ( -7.634 3.714 0.155) 8.491 32.553 ( 14.754 -20.289 -1.825) 25.152 32.936 ( -6.220 -19.342 -4.927) 20.906 ======================= Grid point 87 (36/80) ======================= q-point: (-0.50 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.520 ( -4.442 5.186 -1.659) 7.027 0.520 ( 4.442 5.186 -1.659) 7.027 0.703 ( -5.362 0.750 3.596) 6.499 0.703 ( 5.362 0.750 3.596) 6.499 0.888 ( -2.332 -3.569 -0.891) 4.356 0.888 ( 2.332 -3.569 -0.891) 4.356 1.014 ( -2.422 -1.692 -2.179) 3.672 1.014 ( 2.422 -1.692 -2.179) 3.672 1.234 ( -1.570 5.725 -0.883) 6.001 1.234 ( 1.570 5.725 -0.883) 6.001 1.342 ( -2.430 0.016 2.771) 3.685 1.342 ( 2.430 0.016 2.771) 3.685 1.471 ( -1.908 -0.940 3.584) 4.168 1.471 ( 1.908 -0.940 3.584) 4.168 1.533 ( -4.087 0.252 4.688) 6.224 1.533 ( 4.087 0.252 4.688) 6.224 1.747 ( -0.801 2.510 -3.747) 4.581 1.747 ( 0.801 2.510 -3.747) 4.581 1.917 ( -0.814 -2.091 -2.785) 3.576 1.917 ( 0.814 -2.091 -2.785) 3.576 2.197 ( -2.122 -1.195 -2.749) 3.673 2.197 ( 2.122 -1.195 -2.749) 3.673 2.260 ( -1.523 0.560 2.283) 2.801 2.260 ( 1.523 0.560 2.283) 2.801 2.481 ( -0.761 -2.350 5.674) 6.189 2.481 ( 0.761 -2.350 5.674) 6.189 2.550 ( -1.302 -2.636 0.409) 2.969 2.550 ( 1.302 -2.636 0.409) 2.969 2.769 ( -4.296 6.818 1.743) 8.245 2.769 ( 4.296 6.818 1.743) 8.245 2.861 ( -3.845 4.927 0.531) 6.272 2.861 ( 3.845 4.927 0.531) 6.272 2.966 ( -0.875 -0.717 0.326) 1.177 2.966 ( 0.875 -0.717 0.326) 1.177 3.158 ( -3.886 -10.083 -0.013) 10.806 3.158 ( 3.886 -10.083 -0.013) 10.806 9.883 ( -0.496 0.046 -0.858) 0.992 9.883 ( 0.496 0.046 -0.858) 0.992 9.917 ( -1.365 -1.314 -0.584) 1.983 9.917 ( 1.365 -1.314 -0.584) 1.983 10.134 ( -3.690 2.949 -1.107) 4.852 10.134 ( 3.690 2.949 -1.107) 4.852 10.209 ( -2.654 0.791 -1.028) 2.954 10.209 ( 2.654 0.791 -1.028) 2.954 14.585 ( -0.573 1.033 -0.071) 1.183 14.585 ( 0.573 1.033 -0.071) 1.183 14.659 ( -0.506 -0.484 -0.997) 1.218 14.659 ( 0.506 -0.484 -0.997) 1.218 14.774 ( -0.370 0.503 0.369) 0.725 14.774 ( 0.370 0.503 0.369) 0.725 14.808 ( -0.398 -0.161 0.408) 0.592 14.808 ( 0.398 -0.161 0.408) 0.592 14.944 ( -0.297 -0.531 -0.092) 0.615 14.944 ( 0.297 -0.531 -0.092) 0.615 14.976 ( -0.678 -1.599 1.494) 2.291 14.976 ( 0.678 -1.599 1.494) 2.291 22.220 ( -0.111 0.166 -0.055) 0.207 22.220 ( 0.111 0.166 -0.055) 0.207 22.242 ( -0.130 -0.507 -0.126) 0.538 22.242 ( 0.130 -0.507 -0.126) 0.538 29.927 ( -4.364 6.391 -6.978) 10.421 29.927 ( 4.364 6.391 -6.978) 10.421 30.079 ( -2.180 3.612 -8.740) 9.705 30.079 ( 2.180 3.612 -8.740) 9.705 30.698 ( -10.634 6.478 12.599) 17.714 30.698 ( 10.634 6.478 12.599) 17.714 30.894 ( -9.596 -1.182 10.526) 14.293 30.894 ( 9.596 -1.182 10.526) 14.293 32.050 ( -9.888 3.504 0.789) 10.520 32.050 ( 9.888 3.504 0.789) 10.520 32.785 ( -10.394 -21.054 -4.322) 23.875 32.785 ( 10.394 -21.054 -4.322) 23.875 ======================= Grid point 91 (37/80) ======================= q-point: ( 0.00 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( 0.000 4.655 -1.530) 4.900 0.667 ( 0.000 -3.311 -1.753) 3.747 0.774 ( 0.000 0.768 0.885) 1.172 0.780 ( 0.000 0.353 2.222) 2.249 0.853 ( 0.000 1.328 -0.556) 1.440 0.869 ( 0.000 -0.233 1.140) 1.163 1.080 ( 0.000 0.912 2.314) 2.487 1.099 ( 0.000 0.323 2.224) 2.247 1.167 ( 0.000 -0.137 0.843) 0.854 1.191 ( 0.000 -2.084 2.935) 3.600 1.317 ( 0.000 0.660 -1.200) 1.369 1.375 ( 0.000 -3.870 -0.114) 3.872 1.448 ( 0.000 3.584 2.352) 4.287 1.467 ( 0.000 -0.294 -1.298) 1.331 1.576 ( 0.000 2.300 5.275) 5.754 1.623 ( 0.000 -1.497 5.528) 5.727 1.809 ( 0.000 1.472 -3.936) 4.202 1.831 ( 0.000 -0.856 -2.658) 2.793 2.029 ( 0.000 2.532 -3.913) 4.661 2.051 ( 0.000 0.799 -2.707) 2.823 2.214 ( 0.000 3.497 0.981) 3.632 2.275 ( 0.000 -2.330 0.469) 2.377 2.306 ( 0.000 2.567 5.211) 5.809 2.351 ( 0.000 -0.569 6.048) 6.075 2.382 ( 0.000 -0.001 0.349) 0.349 2.396 ( 0.000 -1.156 0.212) 1.176 2.430 ( 0.000 -3.571 -0.158) 3.575 2.441 ( 0.000 -3.198 3.535) 4.767 2.604 ( 0.000 0.516 -1.126) 1.239 2.613 ( 0.000 -0.124 -0.313) 0.336 2.876 ( 0.000 1.436 -0.227) 1.453 2.876 ( 0.000 1.417 -0.472) 1.493 2.896 ( 0.000 -0.338 0.879) 0.942 2.926 ( 0.000 -4.159 0.599) 4.202 3.105 ( 0.000 7.506 2.718) 7.983 3.251 ( 0.000 -6.861 1.539) 7.031 9.868 ( 0.000 0.169 -0.741) 0.760 9.871 ( 0.000 -0.152 -0.766) 0.781 9.935 ( 0.000 1.736 -1.738) 2.456 9.955 ( 0.000 0.095 0.298) 0.313 9.971 ( 0.000 -1.434 0.168) 1.444 9.983 ( 0.000 -3.012 -2.135) 3.692 10.351 ( 0.000 2.571 -0.791) 2.690 10.359 ( 0.000 1.761 -0.855) 1.958 14.624 ( 0.000 0.410 -0.721) 0.830 14.631 ( 0.000 -0.225 -0.530) 0.576 14.698 ( 0.000 0.543 -0.822) 0.986 14.706 ( 0.000 -0.150 0.210) 0.258 14.778 ( 0.000 -0.087 -0.331) 0.343 14.779 ( 0.000 -0.083 0.419) 0.428 14.813 ( 0.000 0.151 0.222) 0.268 14.814 ( 0.000 0.174 0.370) 0.409 14.920 ( 0.000 -0.443 0.039) 0.445 14.926 ( 0.000 -0.991 -0.145) 1.002 14.945 ( 0.000 0.483 0.858) 0.984 14.952 ( 0.000 -0.347 0.900) 0.964 22.220 ( 0.000 0.223 -0.321) 0.391 22.224 ( 0.000 -0.124 -0.124) 0.176 22.236 ( 0.000 -0.024 0.300) 0.301 22.238 ( 0.000 -0.307 0.034) 0.309 29.736 ( 0.000 3.284 -1.297) 3.531 29.794 ( 0.000 -2.624 -1.701) 3.128 30.217 ( 0.000 4.973 -2.740) 5.677 30.273 ( 0.000 0.209 -10.422) 10.424 30.506 ( 0.000 0.480 -0.680) 0.832 30.554 ( 0.000 -3.235 -8.583) 9.172 31.359 ( 0.000 5.860 16.343) 17.361 31.454 ( 0.000 -3.415 9.086) 9.707 31.758 ( 0.000 2.073 3.301) 3.899 31.838 ( 0.000 -5.618 7.497) 9.368 32.515 ( 0.000 8.634 0.548) 8.652 32.737 ( 0.000 -13.508 -1.732) 13.618 ======================= Grid point 92 (38/80) ======================= q-point: ( 0.17 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( 0.180 3.608 -1.407) 3.877 0.647 ( -3.381 -2.697 -0.967) 4.432 0.755 ( 0.372 2.266 0.636) 2.383 0.785 ( 1.182 -0.724 1.584) 2.105 0.846 ( -0.378 2.289 -0.467) 2.366 0.898 ( 0.566 -2.476 -0.261) 2.553 1.006 ( -5.742 2.130 3.550) 7.079 1.054 ( -3.878 -1.753 4.098) 5.908 1.225 ( 4.040 0.186 0.445) 4.068 1.229 ( 3.393 -0.037 -1.979) 3.928 1.311 ( -0.278 2.053 -2.840) 3.515 1.372 ( 0.400 -1.711 1.208) 2.132 1.454 ( -0.071 0.378 3.299) 3.321 1.464 ( -0.348 -1.580 0.735) 1.777 1.559 ( -1.383 3.000 6.054) 6.897 1.608 ( -1.757 -1.256 5.729) 6.123 1.806 ( -0.532 1.209 -4.733) 4.914 1.827 ( -0.203 -0.758 -3.773) 3.853 1.972 ( -5.267 2.055 -5.105) 7.617 2.004 ( -3.984 -0.184 -3.453) 5.275 2.203 ( -1.798 2.535 0.316) 3.125 2.256 ( -0.921 -1.331 0.336) 1.653 2.292 ( -1.202 1.701 3.994) 4.505 2.320 ( -2.219 -0.609 4.201) 4.789 2.402 ( 1.881 0.876 4.402) 4.867 2.426 ( 0.881 -2.256 2.320) 3.354 2.450 ( 2.154 -2.144 2.765) 4.109 2.474 ( 2.451 -3.690 2.429) 5.053 2.643 ( 4.801 2.350 -0.552) 5.374 2.673 ( 5.868 -0.314 -1.407) 6.042 2.883 ( 0.804 0.948 -0.558) 1.363 2.892 ( 1.482 1.278 0.039) 1.958 2.903 ( 0.754 -0.522 0.392) 0.997 2.930 ( 0.377 -4.156 0.107) 4.175 3.090 ( -1.691 6.998 2.722) 7.697 3.224 ( -2.947 -6.207 1.586) 7.052 9.870 ( 0.258 0.169 -0.748) 0.809 9.874 ( 0.317 -0.197 -0.735) 0.824 9.916 ( -1.040 0.753 -0.898) 1.567 9.939 ( -1.578 -1.625 -0.715) 2.375 10.002 ( 3.847 1.067 -0.651) 4.045 10.037 ( 3.912 -2.357 -1.255) 4.736 10.330 ( -2.228 2.513 -0.846) 3.463 10.341 ( -1.945 1.419 -0.914) 2.575 14.617 ( -0.594 0.740 -0.559) 1.101 14.630 ( -0.125 -0.441 -0.668) 0.810 14.682 ( -1.675 0.534 -0.402) 1.804 14.691 ( -1.351 -0.206 -0.222) 1.385 14.777 ( 0.054 0.309 -0.059) 0.319 14.784 ( 0.374 -0.357 0.192) 0.551 14.806 ( -0.519 0.482 0.326) 0.780 14.814 ( -0.172 -0.218 0.228) 0.359 14.925 ( 0.469 -0.436 0.179) 0.665 14.929 ( 0.294 -0.812 -0.048) 0.865 14.944 ( 0.008 0.492 0.832) 0.967 14.955 ( 0.165 -0.640 0.917) 1.131 22.220 ( 0.071 0.232 -0.296) 0.383 22.224 ( 0.038 -0.072 -0.114) 0.139 22.235 ( -0.103 -0.072 0.227) 0.259 22.237 ( -0.115 -0.324 0.004) 0.344 29.786 ( 5.174 3.349 -2.354) 6.597 29.839 ( 4.627 -2.044 -2.801) 5.782 30.208 ( -1.201 4.219 -4.359) 6.184 30.250 ( -2.450 0.526 -11.016) 11.298 30.529 ( 2.738 1.090 0.374) 2.970 30.580 ( 3.182 -3.277 -3.753) 5.912 31.280 ( -8.119 4.240 16.740) 19.082 31.330 ( -11.493 -0.435 13.353) 17.624 31.810 ( 6.421 5.338 2.251) 8.648 31.969 ( 11.024 -10.432 2.855) 15.444 32.473 ( -4.519 8.646 0.419) 9.764 32.699 ( -4.063 -13.934 -1.927) 14.642 ======================= Grid point 93 (39/80) ======================= q-point: ( 0.33 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( -0.976 2.911 -1.616) 3.469 0.607 ( 2.571 0.796 -0.352) 2.715 0.766 ( -5.700 2.715 1.557) 6.503 0.802 ( 2.399 -0.197 0.880) 2.563 0.831 ( -2.193 0.916 0.438) 2.416 0.853 ( -1.618 -2.159 -2.260) 3.520 0.941 ( -0.589 -0.221 1.440) 1.572 0.988 ( -2.971 -3.347 3.096) 5.442 1.284 ( 2.274 1.054 -3.394) 4.219 1.297 ( 3.345 0.886 -1.457) 3.754 1.322 ( 1.279 3.703 -2.340) 4.563 1.381 ( -0.615 -0.581 2.810) 2.934 1.440 ( -0.761 -0.430 3.688) 3.790 1.465 ( 1.470 -2.028 3.268) 4.117 1.530 ( -2.293 1.956 6.273) 6.959 1.565 ( -2.273 -1.659 6.178) 6.789 1.794 ( -0.461 1.854 -5.671) 5.985 1.822 ( -0.506 0.740 -5.084) 5.163 1.878 ( -3.911 0.180 -5.927) 7.103 1.926 ( -4.211 -2.248 -4.672) 6.679 2.181 ( 0.099 2.686 0.025) 2.688 2.248 ( -0.003 -2.008 0.756) 2.146 2.257 ( -2.684 1.445 1.863) 3.572 2.281 ( -1.663 -0.783 3.553) 4.000 2.436 ( 1.359 0.511 6.728) 6.883 2.446 ( 0.939 -0.658 4.984) 5.114 2.473 ( 0.874 -1.950 3.016) 3.697 2.501 ( 0.443 -3.683 3.298) 4.963 2.766 ( 7.338 3.566 -0.139) 8.160 2.803 ( 7.515 0.099 -0.583) 7.538 2.895 ( 0.152 1.123 -0.480) 1.231 2.921 ( 1.493 0.143 0.067) 1.501 2.927 ( 1.229 -0.662 0.259) 1.420 2.940 ( 1.518 -4.082 -0.878) 4.442 3.041 ( -3.672 5.276 2.530) 6.908 3.143 ( -5.746 -4.736 1.642) 7.625 9.877 ( 0.456 0.204 -0.761) 0.910 9.882 ( 0.588 -0.314 -0.711) 0.975 9.900 ( -0.729 0.362 -0.750) 1.107 9.914 ( -1.123 -1.133 -0.692) 1.739 10.087 ( 5.209 1.494 -0.965) 5.504 10.119 ( 4.872 -1.638 -1.264) 5.294 10.272 ( -4.073 2.253 -0.958) 4.752 10.289 ( -3.682 0.552 -1.052) 3.869 14.608 ( -0.232 1.240 -0.396) 1.322 14.627 ( -0.244 -0.054 -0.714) 0.756 14.647 ( -1.637 0.291 -0.112) 1.666 14.663 ( -1.469 -0.773 -0.583) 1.760 14.780 ( 0.256 0.600 0.024) 0.653 14.792 ( 0.434 -0.507 0.245) 0.711 14.796 ( -0.555 0.664 0.243) 0.898 14.808 ( -0.393 -0.487 0.234) 0.668 14.935 ( 0.506 -0.207 0.380) 0.666 14.936 ( 0.341 -0.387 0.176) 0.545 14.946 ( 0.135 -0.031 0.760) 0.773 14.956 ( -0.139 -0.939 0.933) 1.331 22.222 ( 0.124 0.269 -0.211) 0.364 22.225 ( 0.039 0.116 -0.074) 0.143 22.232 ( -0.109 -0.249 0.038) 0.274 22.234 ( -0.163 -0.379 -0.066) 0.418 29.909 ( 7.686 3.497 -5.361) 10.002 29.949 ( 6.807 -0.446 -5.835) 8.977 30.161 ( -4.056 2.577 -8.071) 9.393 30.185 ( -4.471 0.389 -10.854) 11.745 30.620 ( 7.521 3.046 5.858) 10.008 30.683 ( 8.040 -3.084 5.159) 10.038 31.069 ( -14.364 3.746 15.314) 21.328 31.099 ( -12.608 0.578 16.340) 20.647 31.972 ( 10.451 7.750 0.471) 13.019 32.189 ( 12.176 -13.479 -1.064) 18.195 32.354 ( -8.021 7.981 0.355) 11.320 32.589 ( -7.877 -14.918 -2.210) 17.014 ======================= Grid point 94 (40/80) ======================= q-point: (-0.50 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( -5.442 5.002 -0.852) 7.440 0.633 ( 5.442 5.002 -0.852) 7.440 0.700 ( -5.817 -1.635 -0.304) 6.050 0.700 ( 5.817 -1.635 -0.304) 6.050 0.864 ( -1.068 2.083 1.717) 2.903 0.864 ( 1.068 2.083 1.717) 2.903 0.946 ( -1.396 -4.708 -0.325) 4.921 0.946 ( 1.396 -4.708 -0.325) 4.921 1.320 ( -1.403 2.233 -1.606) 3.088 1.320 ( 1.403 2.233 -1.606) 3.088 1.346 ( -2.190 -0.258 -0.673) 2.306 1.346 ( 2.190 -0.258 -0.673) 2.306 1.464 ( -3.038 2.063 5.060) 6.252 1.464 ( 3.038 2.063 5.060) 6.252 1.523 ( -2.702 -2.212 5.440) 6.465 1.523 ( 2.702 -2.212 5.440) 6.465 1.800 ( -1.260 3.009 -5.689) 6.558 1.800 ( 1.260 3.009 -5.689) 6.558 1.864 ( -2.036 -3.112 -5.401) 6.558 1.864 ( 2.036 -3.112 -5.401) 6.558 2.207 ( -2.378 2.197 0.284) 3.250 2.207 ( 2.378 2.197 0.284) 3.250 2.257 ( -0.955 -1.663 2.267) 2.969 2.257 ( 0.955 -1.663 2.267) 2.969 2.450 ( -0.392 0.393 6.323) 6.348 2.450 ( 0.392 0.393 6.323) 6.348 2.494 ( -1.106 -3.095 3.534) 4.826 2.494 ( 1.106 -3.095 3.534) 4.826 2.869 ( -2.921 2.851 -0.380) 4.099 2.869 ( 2.921 2.851 -0.380) 4.099 2.912 ( -2.759 -1.123 -0.851) 3.099 2.912 ( 2.759 -1.123 -0.851) 3.099 2.960 ( -3.053 2.356 1.438) 4.116 2.960 ( 3.053 2.356 1.438) 4.116 3.026 ( -6.060 -3.722 1.235) 7.218 3.026 ( 6.060 -3.722 1.235) 7.218 9.886 ( -0.534 0.320 -0.801) 1.015 9.886 ( 0.534 0.320 -0.801) 1.015 9.897 ( -0.787 -0.739 -0.629) 1.250 9.897 ( 0.787 -0.739 -0.629) 1.250 10.184 ( -4.888 1.974 -1.145) 5.394 10.184 ( 4.888 1.974 -1.145) 5.394 10.210 ( -4.454 -0.651 -1.097) 4.634 10.210 ( 4.454 -0.651 -1.097) 4.634 14.613 ( -0.792 1.571 -0.308) 1.787 14.613 ( 0.792 1.571 -0.308) 1.787 14.642 ( -0.741 -1.214 -0.578) 1.535 14.642 ( 0.741 -1.214 -0.578) 1.535 14.787 ( -0.434 0.724 0.143) 0.856 14.787 ( 0.434 0.724 0.143) 0.856 14.800 ( -0.454 -0.582 0.250) 0.779 14.800 ( 0.454 -0.582 0.250) 0.779 14.939 ( -0.047 0.140 0.341) 0.372 14.939 ( 0.047 0.140 0.341) 0.372 14.950 ( -0.362 -0.957 0.859) 1.336 14.950 ( 0.362 -0.957 0.859) 1.336 22.224 ( -0.090 0.316 -0.083) 0.339 22.224 ( 0.090 0.316 -0.083) 0.339 22.232 ( -0.075 -0.439 -0.107) 0.458 22.232 ( 0.075 -0.439 -0.107) 0.458 30.035 ( -3.278 4.440 -8.294) 9.962 30.035 ( 3.278 4.440 -8.294) 9.962 30.097 ( -2.784 -1.460 -9.319) 9.835 30.097 ( 2.784 -1.460 -9.319) 9.835 30.810 ( -12.907 4.386 12.645) 18.594 30.810 ( 12.907 4.386 12.645) 18.594 30.869 ( -11.896 -1.751 12.280) 17.187 30.869 ( 11.896 -1.751 12.280) 17.187 32.170 ( -10.567 8.895 -0.301) 13.815 32.170 ( 10.567 8.895 -0.301) 13.815 32.415 ( -10.872 -15.602 -1.881) 19.109 32.415 ( 10.872 -15.602 -1.881) 19.109 ======================= Grid point 126 (41/80) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.217 ( 0.000 0.000 6.114) 6.114 0.421 ( 0.000 0.000 10.227) 10.227 0.578 ( 0.000 0.000 -5.124) 5.124 0.728 ( 0.000 0.000 5.826) 5.826 0.738 ( 0.000 0.000 3.002) 3.002 0.908 ( 0.000 0.000 -1.789) 1.789 0.931 ( 0.000 0.000 5.331) 5.331 1.060 ( 0.000 0.000 9.496) 9.496 1.078 ( 0.000 0.000 0.505) 0.505 1.177 ( 0.000 0.000 3.074) 3.074 1.222 ( 0.000 0.000 0.821) 0.821 1.289 ( 0.000 0.000 1.500) 1.500 1.339 ( 0.000 0.000 -4.108) 4.108 1.537 ( 0.000 0.000 3.763) 3.763 1.670 ( 0.000 0.000 5.831) 5.831 1.884 ( 0.000 0.000 1.185) 1.185 1.928 ( 0.000 0.000 -1.335) 1.335 1.948 ( 0.000 0.000 -1.053) 1.053 1.971 ( 0.000 0.000 0.663) 0.663 2.032 ( 0.000 0.000 -0.448) 0.448 2.174 ( 0.000 0.000 4.067) 4.067 2.272 ( 0.000 0.000 -0.988) 0.988 2.341 ( 0.000 0.000 -4.165) 4.165 2.394 ( 0.000 0.000 -3.289) 3.289 2.414 ( 0.000 0.000 1.220) 1.220 2.446 ( 0.000 0.000 11.290) 11.290 2.474 ( 0.000 0.000 -0.623) 0.623 2.479 ( 0.000 0.000 0.383) 0.383 2.555 ( 0.000 0.000 -1.646) 1.646 2.597 ( 0.000 0.000 0.344) 0.344 2.617 ( 0.000 0.000 -1.152) 1.152 2.744 ( 0.000 0.000 3.703) 3.703 2.860 ( 0.000 0.000 0.685) 0.685 3.209 ( 0.000 0.000 -9.196) 9.196 3.218 ( 0.000 0.000 4.796) 4.796 3.657 ( 0.000 0.000 -6.271) 6.271 9.845 ( 0.000 0.000 -1.372) 1.372 9.871 ( 0.000 0.000 -2.206) 2.206 9.925 ( 0.000 0.000 0.144) 0.144 9.957 ( 0.000 0.000 2.300) 2.300 9.960 ( 0.000 0.000 -1.131) 1.131 10.077 ( 0.000 0.000 1.228) 1.228 10.118 ( 0.000 0.000 -0.212) 0.212 10.164 ( 0.000 0.000 -3.658) 3.658 14.634 ( 0.000 0.000 0.674) 0.674 14.637 ( 0.000 0.000 0.557) 0.557 14.651 ( 0.000 0.000 -0.565) 0.565 14.666 ( 0.000 0.000 -1.394) 1.394 14.766 ( 0.000 0.000 0.584) 0.584 14.782 ( 0.000 0.000 -0.651) 0.651 14.784 ( 0.000 0.000 0.277) 0.277 14.786 ( 0.000 0.000 -0.700) 0.700 14.923 ( 0.000 0.000 0.853) 0.853 14.931 ( 0.000 0.000 0.477) 0.477 15.034 ( 0.000 0.000 0.921) 0.921 15.078 ( 0.000 0.000 -0.287) 0.287 22.218 ( 0.000 0.000 0.105) 0.105 22.225 ( 0.000 0.000 -0.050) 0.050 22.255 ( 0.000 0.000 0.131) 0.131 22.266 ( 0.000 0.000 -0.288) 0.288 29.439 ( 0.000 0.000 2.620) 2.620 29.518 ( 0.000 0.000 3.364) 3.364 29.646 ( 0.000 0.000 -1.675) 1.675 29.842 ( 0.000 0.000 -4.318) 4.318 30.574 ( 0.000 0.000 3.999) 3.999 30.649 ( 0.000 0.000 1.777) 1.777 31.533 ( 0.000 0.000 8.532) 8.532 31.635 ( 0.000 0.000 -0.940) 0.940 31.832 ( 0.000 0.000 4.161) 4.161 32.418 ( 0.000 0.000 -7.490) 7.490 32.475 ( 0.000 0.000 10.040) 10.040 33.464 ( 0.000 0.000 -17.702) 17.702 ======================= Grid point 127 (42/80) ======================= q-point: ( 0.17 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.310 ( 8.244 0.000 3.895) 9.118 0.522 ( 9.215 0.000 8.480) 12.523 0.600 ( 2.204 0.000 -4.396) 4.917 0.730 ( -1.018 0.000 2.544) 2.740 0.796 ( 7.048 0.000 4.278) 8.245 0.875 ( -3.221 0.000 -1.411) 3.516 0.950 ( 1.167 0.000 3.832) 4.006 1.045 ( -0.147 0.000 7.718) 7.720 1.108 ( 2.600 0.000 3.414) 4.291 1.191 ( 1.253 0.000 2.739) 3.012 1.222 ( 0.025 0.000 1.055) 1.056 1.269 ( -1.931 0.000 1.627) 2.525 1.373 ( 3.242 0.000 -3.243) 4.585 1.531 ( -0.677 0.000 3.024) 3.099 1.676 ( 0.805 0.000 5.652) 5.709 1.796 ( -10.350 0.000 1.013) 10.400 1.886 ( 0.219 0.000 1.148) 1.169 1.904 ( -6.302 0.000 0.987) 6.378 1.942 ( -0.623 0.000 -0.811) 1.023 2.002 ( -4.386 0.000 0.782) 4.455 2.221 ( 2.725 0.000 1.547) 3.133 2.261 ( -0.838 0.000 -1.072) 1.361 2.330 ( -1.250 0.000 -4.043) 4.232 2.392 ( -1.362 0.000 2.466) 2.818 2.410 ( -0.412 0.000 1.275) 1.340 2.430 ( 0.631 0.000 1.041) 1.218 2.451 ( -0.278 0.000 0.342) 0.441 2.492 ( 0.092 0.000 -0.639) 0.645 2.505 ( -7.075 0.000 2.168) 7.399 2.546 ( -0.829 0.000 -1.724) 1.913 2.723 ( 8.196 0.000 1.812) 8.394 2.760 ( 1.647 0.000 3.528) 3.893 2.860 ( -0.071 0.000 0.855) 0.858 3.139 ( -2.771 0.000 -0.243) 2.782 3.365 ( 8.716 0.000 -5.788) 10.463 3.661 ( 0.126 0.000 -6.686) 6.687 9.846 ( 0.312 0.000 -1.116) 1.159 9.892 ( 2.030 0.000 -2.389) 3.134 9.931 ( 0.639 0.000 0.103) 0.647 9.941 ( -1.440 0.000 2.095) 2.542 9.964 ( 0.353 0.000 -1.108) 1.163 10.074 ( -0.253 0.000 1.192) 1.218 10.112 ( -0.627 0.000 -0.160) 0.647 10.142 ( -2.262 0.000 -3.638) 4.284 14.634 ( 0.017 0.000 0.670) 0.670 14.636 ( -0.016 0.000 0.569) 0.569 14.638 ( -0.944 0.000 -0.049) 0.945 14.658 ( -0.762 0.000 -1.300) 1.507 14.767 ( 0.017 0.000 0.555) 0.556 14.782 ( -0.004 0.000 -0.658) 0.658 14.783 ( -0.215 0.000 0.301) 0.370 14.785 ( -0.051 0.000 -0.701) 0.703 14.930 ( 1.079 0.000 0.613) 1.241 14.951 ( 1.177 0.000 -0.415) 1.248 15.044 ( 1.230 0.000 1.308) 1.796 15.100 ( 1.918 0.000 -0.178) 1.926 22.218 ( -0.002 0.000 0.098) 0.098 22.224 ( -0.097 0.000 -0.034) 0.103 22.255 ( 0.093 0.000 0.086) 0.127 22.266 ( -0.080 0.000 -0.268) 0.280 29.444 ( 0.467 0.000 2.754) 2.793 29.513 ( -0.549 0.000 3.497) 3.540 29.659 ( 1.403 0.000 -2.045) 2.480 29.829 ( -1.374 0.000 -4.211) 4.430 30.569 ( -0.084 0.000 4.805) 4.806 30.686 ( 3.332 0.000 1.663) 3.724 31.314 ( -24.330 0.000 11.700) 26.997 31.442 ( -10.399 0.000 6.093) 12.052 31.808 ( 5.687 0.000 8.322) 10.080 32.313 ( -4.190 0.000 1.271) 4.378 32.955 ( 27.419 0.000 -14.101) 30.832 33.480 ( 1.442 0.000 -17.156) 17.217 ======================= Grid point 128 (43/80) ======================= q-point: ( 0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.470 ( 8.462 0.000 2.011) 8.698 0.654 ( 3.536 0.000 -2.930) 4.592 0.692 ( -3.228 0.000 1.765) 3.679 0.699 ( 9.089 0.000 8.107) 12.179 0.804 ( -4.256 0.000 -1.117) 4.400 0.925 ( -1.887 0.000 5.992) 6.282 0.968 ( 8.655 0.000 -0.059) 8.655 1.071 ( 2.168 0.000 2.716) 3.475 1.177 ( 3.822 0.000 4.030) 5.555 1.213 ( 0.943 0.000 2.324) 2.508 1.224 ( 0.093 0.000 1.562) 1.565 1.231 ( -1.279 0.000 2.991) 3.253 1.415 ( -0.280 0.000 1.355) 1.384 1.532 ( 1.939 0.000 -0.534) 2.012 1.610 ( -8.475 0.000 2.577) 8.858 1.711 ( 2.009 0.000 4.672) 5.086 1.769 ( -7.009 0.000 1.249) 7.120 1.893 ( 0.555 0.000 0.946) 1.096 1.901 ( -6.039 0.000 2.114) 6.399 1.926 ( -1.044 0.000 -0.211) 1.065 2.239 ( 0.325 0.000 1.828) 1.856 2.253 ( 0.139 0.000 -1.469) 1.475 2.300 ( -1.908 0.000 -3.164) 3.695 2.352 ( -5.368 0.000 0.956) 5.453 2.400 ( 1.009 0.000 1.534) 1.836 2.422 ( -0.097 0.000 0.180) 0.205 2.432 ( -0.592 0.000 -0.413) 0.722 2.473 ( -1.686 0.000 -1.090) 2.007 2.482 ( 1.949 0.000 0.189) 1.958 2.533 ( -0.655 0.000 -1.174) 1.344 2.797 ( 2.130 0.000 2.910) 3.607 2.853 ( -0.716 0.000 1.355) 1.533 2.874 ( 7.727 0.000 2.561) 8.141 3.084 ( -3.626 0.000 0.877) 3.731 3.504 ( 6.281 0.000 -6.580) 9.097 3.649 ( -1.639 0.000 -6.864) 7.056 9.858 ( 0.960 0.000 -0.524) 1.093 9.909 ( -1.540 0.000 1.077) 1.879 9.945 ( 3.232 0.000 -2.557) 4.121 9.946 ( 0.982 0.000 -0.059) 0.984 9.969 ( 0.056 0.000 -0.907) 0.909 10.071 ( 0.071 0.000 0.956) 0.959 10.086 ( -3.718 0.000 -3.489) 5.099 10.097 ( -0.996 0.000 0.029) 0.996 14.627 ( -0.202 0.000 -0.062) 0.212 14.635 ( 0.032 0.000 0.656) 0.657 14.636 ( -0.031 0.000 0.598) 0.598 14.642 ( -0.827 0.000 -1.017) 1.311 14.767 ( 0.038 0.000 0.450) 0.452 14.776 ( -0.434 0.000 0.308) 0.532 14.782 ( 0.015 0.000 -0.675) 0.676 14.784 ( -0.071 0.000 -0.700) 0.704 14.952 ( 1.084 0.000 -0.050) 1.085 14.965 ( 0.338 0.000 -0.699) 0.776 15.077 ( 2.217 0.000 1.974) 2.968 15.126 ( 0.478 0.000 0.771) 0.908 22.218 ( 0.033 0.000 0.075) 0.081 22.222 ( -0.124 0.000 0.003) 0.124 22.258 ( 0.148 0.000 -0.017) 0.149 22.264 ( -0.143 0.000 -0.213) 0.257 29.457 ( 0.929 0.000 3.073) 3.210 29.498 ( -1.046 0.000 3.581) 3.730 29.695 ( 2.469 0.000 -2.753) 3.698 29.794 ( -2.406 0.000 -3.899) 4.581 30.583 ( 1.828 0.000 6.747) 6.990 30.724 ( -1.503 0.000 5.079) 5.297 31.008 ( -5.645 0.000 11.477) 12.790 31.250 ( -10.686 0.000 4.124) 11.454 31.939 ( 7.901 0.000 6.878) 10.475 32.218 ( -6.317 0.000 2.732) 6.883 33.326 ( 13.197 0.000 -18.072) 22.378 33.502 ( 0.426 0.000 -16.429) 16.434 ======================= Grid point 129 (44/80) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( -6.164 0.000 1.349) 6.310 0.606 ( 6.164 0.000 1.349) 6.310 0.726 ( -4.157 0.000 -1.567) 4.443 0.726 ( 4.157 0.000 -1.567) 4.443 0.841 ( -6.253 0.000 7.931) 10.100 0.841 ( 6.253 0.000 7.931) 10.100 1.094 ( -1.485 0.000 -1.388) 2.033 1.094 ( 1.485 0.000 -1.388) 2.033 1.210 ( -3.265 0.000 3.127) 4.521 1.210 ( 3.265 0.000 3.127) 4.521 1.223 ( -0.232 0.000 2.000) 2.014 1.223 ( 0.232 0.000 2.000) 2.014 1.451 ( -6.536 0.000 3.092) 7.230 1.451 ( 6.536 0.000 3.092) 7.230 1.630 ( -6.133 0.000 1.223) 6.254 1.630 ( 6.133 0.000 1.223) 6.254 1.795 ( -5.131 0.000 3.018) 5.953 1.795 ( 5.131 0.000 3.018) 5.953 1.907 ( -0.953 0.000 0.461) 1.059 1.907 ( 0.953 0.000 0.461) 1.059 2.268 ( -1.391 0.000 -2.129) 2.543 2.268 ( 1.391 0.000 -2.129) 2.543 2.268 ( -3.155 0.000 1.740) 3.603 2.268 ( 3.155 0.000 1.740) 3.603 2.421 ( -0.882 0.000 -0.478) 1.003 2.421 ( 0.882 0.000 -0.478) 1.003 2.437 ( -1.688 0.000 -0.756) 1.849 2.437 ( 1.688 0.000 -0.756) 1.849 2.515 ( -1.371 0.000 -0.478) 1.452 2.515 ( 1.371 0.000 -0.478) 1.452 2.832 ( -1.604 0.000 2.098) 2.641 2.832 ( 1.604 0.000 2.098) 2.641 2.998 ( -5.741 0.000 1.915) 6.052 2.998 ( 5.741 0.000 1.915) 6.052 3.598 ( -3.979 0.000 -6.574) 7.684 3.598 ( 3.979 0.000 -6.574) 7.684 9.880 ( -1.421 0.000 0.286) 1.449 9.880 ( 1.421 0.000 0.286) 1.449 9.963 ( -0.724 0.000 -0.431) 0.843 9.963 ( 0.724 0.000 -0.431) 0.843 10.013 ( -4.022 0.000 -3.157) 5.113 10.013 ( 4.022 0.000 -3.157) 5.113 10.079 ( -0.802 0.000 0.438) 0.914 10.079 ( 0.802 0.000 0.438) 0.914 14.630 ( -0.459 0.000 -0.545) 0.712 14.630 ( 0.459 0.000 -0.545) 0.712 14.635 ( -0.038 0.000 0.631) 0.632 14.635 ( 0.038 0.000 0.631) 0.632 14.770 ( -0.264 0.000 0.334) 0.426 14.770 ( 0.264 0.000 0.334) 0.426 14.783 ( -0.051 0.000 -0.692) 0.694 14.783 ( 0.051 0.000 -0.692) 0.694 14.965 ( -0.328 0.000 -0.498) 0.596 14.965 ( 0.328 0.000 -0.498) 0.596 15.115 ( -1.555 0.000 1.843) 2.411 15.115 ( 1.555 0.000 1.843) 2.411 22.220 ( -0.090 0.000 0.041) 0.099 22.220 ( 0.090 0.000 0.041) 0.099 22.261 ( -0.166 0.000 -0.127) 0.209 22.261 ( 0.166 0.000 -0.127) 0.209 29.476 ( -1.185 0.000 3.405) 3.605 29.476 ( 1.185 0.000 3.405) 3.605 29.745 ( -2.821 0.000 -3.402) 4.420 29.745 ( 2.821 0.000 -3.402) 4.420 30.643 ( -4.712 0.000 8.830) 10.008 30.643 ( 4.712 0.000 8.830) 10.008 31.067 ( -8.421 0.000 4.362) 9.484 31.067 ( 8.421 0.000 4.362) 9.484 32.086 ( -7.847 0.000 4.854) 9.226 32.086 ( 7.847 0.000 4.854) 9.226 33.475 ( -4.019 0.000 -16.851) 17.323 33.475 ( 4.019 0.000 -16.851) 17.323 ======================= Grid point 133 (45/80) ======================= q-point: ( 0.00 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.391 ( 0.000 10.790 4.636) 11.744 0.474 ( 0.000 4.917 8.528) 9.844 0.646 ( 0.000 5.270 -3.649) 6.410 0.680 ( 0.000 -1.460 3.786) 4.058 0.761 ( 0.000 1.211 1.559) 1.974 0.931 ( 0.000 2.217 -3.248) 3.932 0.966 ( 0.000 2.680 4.458) 5.201 1.047 ( 0.000 -2.713 1.035) 2.904 1.082 ( 0.000 3.005 7.579) 8.153 1.184 ( 0.000 -2.420 -1.042) 2.635 1.187 ( 0.000 1.735 5.158) 5.442 1.372 ( 0.000 1.555 -1.117) 1.915 1.393 ( 0.000 7.978 -0.494) 7.993 1.557 ( 0.000 2.558 3.634) 4.444 1.631 ( 0.000 -3.841 5.342) 6.579 1.786 ( 0.000 -6.376 1.754) 6.613 1.861 ( 0.000 -4.537 -2.546) 5.202 1.939 ( 0.000 -3.321 -2.099) 3.928 2.006 ( 0.000 0.527 1.453) 1.546 2.015 ( 0.000 -1.642 1.777) 2.419 2.129 ( 0.000 -1.847 1.666) 2.487 2.300 ( 0.000 -2.081 -4.666) 5.109 2.314 ( 0.000 2.425 1.921) 3.094 2.374 ( 0.000 -0.461 0.444) 0.640 2.456 ( 0.000 2.108 -0.904) 2.294 2.461 ( 0.000 1.287 2.638) 2.935 2.476 ( 0.000 -0.283 0.661) 0.719 2.508 ( 0.000 1.338 2.899) 3.193 2.570 ( 0.000 2.667 1.011) 2.852 2.634 ( 0.000 1.487 -1.255) 1.946 2.644 ( 0.000 4.338 2.414) 4.965 2.748 ( 0.000 0.818 2.689) 2.810 2.836 ( 0.000 -2.048 0.909) 2.241 3.183 ( 0.000 -3.252 4.704) 5.718 3.251 ( 0.000 2.170 -8.636) 8.904 3.582 ( 0.000 -6.616 -4.818) 8.185 9.843 ( 0.000 -0.069 -1.071) 1.073 9.864 ( 0.000 -0.451 -1.755) 1.812 9.935 ( 0.000 -1.321 1.727) 2.174 9.976 ( 0.000 4.093 -0.226) 4.099 9.988 ( 0.000 1.712 -1.008) 1.987 10.083 ( 0.000 1.185 0.568) 1.314 10.107 ( 0.000 -0.883 0.013) 0.883 10.140 ( 0.000 -2.159 -3.514) 4.124 14.618 ( 0.000 -0.822 0.615) 1.026 14.630 ( 0.000 -0.463 0.172) 0.494 14.663 ( 0.000 -0.254 -1.234) 1.260 14.667 ( 0.000 0.886 -0.812) 1.202 14.777 ( 0.000 0.670 0.287) 0.729 14.783 ( 0.000 0.195 -0.188) 0.271 14.793 ( 0.000 0.904 -0.441) 1.006 14.798 ( 0.000 0.740 0.144) 0.754 14.927 ( 0.000 0.395 0.847) 0.934 14.935 ( 0.000 0.337 0.465) 0.574 15.021 ( 0.000 -1.195 0.911) 1.503 15.063 ( 0.000 -1.441 -0.202) 1.455 22.217 ( 0.000 -0.136 0.077) 0.156 22.224 ( 0.000 -0.018 -0.047) 0.050 22.252 ( 0.000 -0.204 0.134) 0.244 22.262 ( 0.000 -0.373 -0.293) 0.474 29.540 ( 0.000 2.167 2.891) 3.613 29.559 ( 0.000 9.969 -3.231) 10.480 29.711 ( 0.000 6.155 -2.353) 6.589 29.837 ( 0.000 -0.478 -4.044) 4.072 30.570 ( 0.000 -0.395 3.482) 3.505 30.649 ( 0.000 -0.117 1.729) 1.733 31.537 ( 0.000 0.546 9.875) 9.890 31.623 ( 0.000 -1.091 -0.445) 1.179 31.819 ( 0.000 -1.199 4.042) 4.216 32.356 ( 0.000 -5.193 -2.703) 5.854 32.462 ( 0.000 -1.164 9.251) 9.324 33.381 ( 0.000 -8.011 -16.551) 18.388 ======================= Grid point 134 (46/80) ======================= q-point: ( 0.17 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.398 ( 1.636 7.140 3.972) 8.333 0.552 ( 5.826 1.420 7.065) 9.267 0.658 ( 1.732 4.428 -3.603) 5.966 0.705 ( 1.709 -0.916 2.394) 3.080 0.781 ( 2.467 0.801 0.940) 2.759 0.925 ( -0.286 3.185 -2.228) 3.898 0.974 ( 0.571 1.932 3.433) 3.980 1.043 ( -0.258 -2.007 1.784) 2.698 1.093 ( 1.044 1.262 8.696) 8.849 1.124 ( -1.628 -2.889 -0.005) 3.316 1.259 ( 3.324 3.708 3.269) 5.957 1.373 ( 0.408 0.888 0.381) 1.049 1.405 ( 0.651 7.070 -1.225) 7.205 1.549 ( -0.563 2.083 2.583) 3.366 1.645 ( 1.384 -2.986 5.782) 6.653 1.728 ( -5.963 -4.954 1.385) 7.875 1.825 ( -3.785 -4.135 -1.376) 5.772 1.892 ( -3.713 -2.977 -0.117) 4.761 1.947 ( -3.252 0.170 1.464) 3.570 2.006 ( -1.605 -0.594 1.710) 2.419 2.188 ( 3.794 -1.601 0.018) 4.118 2.286 ( -1.909 0.849 0.432) 2.134 2.313 ( 0.479 -1.055 -3.431) 3.621 2.360 ( -1.969 -0.892 1.930) 2.898 2.408 ( -3.251 1.076 -2.041) 3.986 2.448 ( -1.794 1.870 1.440) 2.965 2.478 ( 1.023 1.303 1.229) 2.063 2.521 ( 1.367 2.236 0.081) 2.622 2.572 ( 0.133 5.222 1.434) 5.417 2.610 ( -1.305 3.787 0.533) 4.040 2.711 ( 3.207 0.132 1.214) 3.432 2.776 ( 3.458 0.743 3.402) 4.908 2.840 ( 0.827 -1.022 1.310) 1.855 3.135 ( -2.857 -0.892 1.557) 3.374 3.338 ( 6.307 -2.657 -5.858) 9.008 3.584 ( -0.013 -6.958 -5.119) 8.638 9.846 ( 0.396 0.023 -0.962) 1.041 9.877 ( 1.323 -0.893 -1.745) 2.365 9.925 ( -0.947 -1.152 1.477) 2.099 9.976 ( 0.100 3.800 -0.372) 3.820 9.992 ( 0.401 1.775 -1.048) 2.100 10.080 ( -1.178 -0.861 -0.594) 1.575 10.094 ( -0.414 0.533 0.098) 0.682 10.139 ( -0.238 -0.512 -2.449) 2.514 14.615 ( -0.256 -1.075 0.571) 1.244 14.626 ( -0.548 -0.681 0.178) 0.892 14.652 ( -1.045 0.713 -0.400) 1.327 14.657 ( -0.655 -0.128 -1.078) 1.268 14.775 ( -0.147 0.307 0.129) 0.364 14.778 ( -0.337 0.178 0.048) 0.384 14.792 ( 0.089 0.805 -0.264) 0.852 14.800 ( -0.048 0.933 0.148) 0.946 14.932 ( 0.889 0.261 0.663) 1.139 14.952 ( 0.984 0.056 -0.274) 1.023 15.031 ( 1.177 -1.232 1.288) 2.136 15.082 ( 1.665 -1.696 0.077) 2.377 22.217 ( 0.009 -0.126 0.071) 0.144 22.223 ( -0.107 -0.032 -0.035) 0.117 22.253 ( 0.069 -0.226 0.087) 0.252 22.262 ( -0.078 -0.371 -0.276) 0.469 29.541 ( 0.069 2.742 2.649) 3.813 29.557 ( -0.164 9.531 -2.383) 9.826 29.721 ( 0.990 5.772 -2.580) 6.400 29.830 ( -0.809 0.074 -4.030) 4.111 30.570 ( 0.439 0.069 4.540) 4.562 30.693 ( 4.118 0.450 1.550) 4.423 31.351 ( -22.784 3.380 10.559) 25.338 31.443 ( -9.482 0.297 7.364) 12.009 31.803 ( 5.230 -0.449 7.983) 9.554 32.305 ( -3.744 -0.810 0.794) 3.912 32.831 ( 24.379 -10.911 -8.015) 27.886 33.390 ( 0.798 -8.607 -16.026) 18.208 ======================= Grid point 135 (47/80) ======================= q-point: ( 0.33 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.452 ( 4.003 -1.033 1.855) 4.532 0.602 ( -1.263 -6.348 0.350) 6.482 0.712 ( 2.506 4.253 -2.420) 5.498 0.738 ( 3.393 2.243 6.784) 7.910 0.822 ( 0.570 2.015 -1.923) 2.843 0.930 ( -1.776 -0.036 5.068) 5.371 0.988 ( 4.183 1.116 -1.537) 4.594 1.049 ( 0.850 -1.932 0.700) 2.223 1.090 ( -0.043 -4.582 2.238) 5.100 1.183 ( 6.713 2.488 4.854) 8.650 1.265 ( -3.428 2.168 3.903) 5.629 1.391 ( -1.087 7.119 2.138) 7.512 1.411 ( 2.401 0.677 -0.252) 2.507 1.553 ( 1.302 2.055 0.600) 2.506 1.598 ( -6.198 -0.955 2.384) 6.709 1.692 ( 2.140 -1.843 4.864) 5.625 1.723 ( -5.830 -3.217 0.505) 6.678 1.829 ( -3.382 -3.944 1.058) 5.302 1.914 ( -0.394 0.347 1.109) 1.227 1.967 ( -2.372 1.224 1.557) 3.090 2.231 ( 0.545 -0.480 0.539) 0.905 2.251 ( -1.343 0.424 0.302) 1.440 2.309 ( -0.739 -2.764 -1.985) 3.482 2.320 ( -2.028 -1.648 -1.661) 3.096 2.376 ( 0.304 1.582 -2.094) 2.642 2.418 ( -1.422 2.604 -0.475) 3.005 2.500 ( 0.990 3.952 1.058) 4.209 2.538 ( -0.046 5.042 0.050) 5.043 2.577 ( 0.443 6.780 1.395) 6.937 2.589 ( -0.693 4.605 0.625) 4.698 2.748 ( 1.631 -3.077 1.533) 3.805 2.803 ( -0.755 -3.312 1.601) 3.755 2.913 ( 6.031 1.999 3.117) 7.077 3.084 ( -3.037 -0.343 1.694) 3.494 3.447 ( 5.270 -5.435 -5.465) 9.336 3.572 ( -1.426 -7.198 -5.352) 9.082 9.858 ( 0.839 -0.036 -0.606) 1.036 9.896 ( -0.587 -1.108 0.113) 1.259 9.920 ( 1.691 -1.177 -1.142) 2.356 9.978 ( -0.025 2.363 -0.614) 2.442 9.999 ( 0.277 1.843 -1.001) 2.115 10.040 ( -2.556 -2.130 -1.739) 3.754 10.100 ( 0.616 2.508 0.178) 2.589 10.129 ( -0.748 1.398 -1.355) 2.086 14.610 ( -0.280 -1.393 0.485) 1.501 14.613 ( -0.577 -1.331 0.450) 1.519 14.640 ( -0.307 0.326 -0.470) 0.650 14.645 ( -0.563 -0.000 -0.894) 1.056 14.773 ( -0.094 -0.072 -0.002) 0.118 14.774 ( -0.164 0.287 0.289) 0.439 14.794 ( 0.066 0.967 -0.224) 0.995 14.797 ( -0.186 0.983 0.047) 1.002 14.951 ( 0.878 -0.136 0.046) 0.889 14.963 ( 0.208 -0.230 -0.533) 0.616 15.063 ( 2.063 -1.384 1.958) 3.163 15.105 ( 0.490 -1.911 1.006) 2.215 22.217 ( 0.046 -0.103 0.052) 0.124 22.221 ( -0.134 -0.056 -0.008) 0.146 22.255 ( 0.116 -0.278 -0.023) 0.303 22.260 ( -0.133 -0.360 -0.225) 0.445 29.543 ( 0.185 4.266 2.018) 4.723 29.553 ( -0.287 8.210 -0.619) 8.239 29.746 ( 1.661 4.741 -3.102) 5.904 29.809 ( -1.459 1.501 -3.930) 4.452 30.599 ( 2.937 1.567 6.919) 7.679 30.760 ( 0.814 3.160 3.901) 5.086 31.031 ( -8.334 2.522 12.677) 15.380 31.257 ( -10.685 0.810 5.446) 12.020 31.930 ( 7.847 -0.837 6.519) 10.236 32.211 ( -6.368 -0.583 2.395) 6.829 33.183 ( 13.575 -13.200 -14.161) 23.644 33.396 ( -0.627 -10.130 -15.157) 18.242 ======================= Grid point 136 (48/80) ======================= q-point: (-0.50 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( -4.803 -6.238 0.368) 7.881 0.536 ( 4.803 -6.238 0.368) 7.881 0.754 ( -2.001 2.822 -1.177) 3.654 0.754 ( 2.001 2.822 -1.177) 3.654 0.863 ( -4.217 1.572 5.525) 7.126 0.863 ( 4.217 1.572 5.525) 7.126 1.054 ( -0.973 -3.322 -0.831) 3.560 1.054 ( 0.973 -3.322 -0.831) 3.560 1.155 ( -7.103 -1.089 2.557) 7.628 1.155 ( 7.103 -1.089 2.557) 7.628 1.318 ( -6.437 4.301 1.953) 7.984 1.318 ( 6.437 4.301 1.953) 7.984 1.484 ( -5.093 2.970 2.442) 6.382 1.484 ( 5.093 2.970 2.442) 6.382 1.614 ( -4.462 -0.850 1.762) 4.872 1.614 ( 4.462 -0.850 1.762) 4.872 1.761 ( -3.860 -2.824 2.551) 5.421 1.761 ( 3.860 -2.824 2.551) 5.421 1.928 ( -1.712 0.892 1.251) 2.301 1.928 ( 1.712 0.892 1.251) 2.301 2.233 ( -0.691 -0.085 0.616) 0.930 2.233 ( 0.691 -0.085 0.616) 0.930 2.303 ( -0.377 -1.979 -2.555) 3.254 2.303 ( 0.377 -1.979 -2.555) 3.254 2.394 ( -1.279 1.854 -1.383) 2.643 2.394 ( 1.279 1.854 -1.383) 2.643 2.520 ( -1.337 6.378 0.477) 6.534 2.520 ( 1.337 6.378 0.477) 6.534 2.584 ( -0.197 5.495 1.022) 5.593 2.584 ( 0.197 5.495 1.022) 5.593 2.779 ( -1.601 -4.074 1.414) 4.600 2.779 ( 1.601 -4.074 1.414) 4.600 3.014 ( -4.700 0.781 2.557) 5.407 3.014 ( 4.700 0.781 2.557) 5.407 3.528 ( -3.444 -6.686 -5.288) 9.194 3.528 ( 3.444 -6.686 -5.288) 9.194 9.876 ( -1.121 -0.365 -0.043) 1.180 9.876 ( 1.121 -0.365 -0.043) 1.180 9.961 ( -2.111 -1.175 -1.457) 2.821 9.961 ( 2.111 -1.175 -1.457) 2.821 10.006 ( -0.782 1.076 -1.200) 1.791 10.006 ( 0.782 1.076 -1.200) 1.791 10.114 ( -0.876 2.486 -0.507) 2.684 10.114 ( 0.876 2.486 -0.507) 2.684 14.608 ( -0.063 -1.606 0.480) 1.677 14.608 ( 0.063 -1.606 0.480) 1.677 14.638 ( -0.127 0.116 -0.705) 0.725 14.638 ( 0.127 0.116 -0.705) 0.725 14.772 ( -0.021 0.098 0.180) 0.206 14.772 ( 0.021 0.098 0.180) 0.206 14.795 ( -0.076 1.016 -0.145) 1.029 14.795 ( 0.076 1.016 -0.145) 1.029 14.962 ( -0.316 -0.329 -0.370) 0.587 14.962 ( 0.316 -0.329 -0.370) 0.587 15.097 ( -1.345 -1.708 1.901) 2.888 15.097 ( 1.345 -1.708 1.901) 2.888 22.219 ( -0.102 -0.080 0.023) 0.131 22.219 ( 0.102 -0.080 0.023) 0.131 22.257 ( -0.144 -0.330 -0.138) 0.385 22.257 ( 0.144 -0.330 -0.138) 0.385 29.548 ( -0.287 6.273 0.964) 6.353 29.548 ( 0.287 6.273 0.964) 6.353 29.778 ( -1.803 3.232 -3.620) 5.177 29.778 ( 1.803 3.232 -3.620) 5.177 30.682 ( -6.002 3.894 9.134) 11.602 30.682 ( 6.002 3.894 9.134) 11.602 31.071 ( -8.580 0.454 5.349) 10.121 31.071 ( 8.580 0.454 5.349) 10.121 32.078 ( -7.942 -0.750 4.506) 9.162 32.078 ( 7.942 -0.750 4.506) 9.162 33.348 ( -5.157 -12.001 -14.819) 19.754 33.348 ( 5.157 -12.001 -14.819) 19.754 ======================= Grid point 140 (49/80) ======================= q-point: ( 0.00 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.507 ( 0.000 1.836 6.382) 6.641 0.596 ( 0.000 6.670 5.511) 8.652 0.728 ( 0.000 2.451 -1.616) 2.936 0.735 ( 0.000 5.010 -1.493) 5.228 0.800 ( 0.000 3.092 1.790) 3.572 0.920 ( 0.000 -4.761 -1.274) 4.928 1.013 ( 0.000 2.339 1.846) 2.980 1.045 ( 0.000 2.698 -1.708) 3.193 1.150 ( 0.000 2.029 -1.554) 2.556 1.176 ( 0.000 2.904 -2.246) 3.671 1.276 ( 0.000 7.562 12.420) 14.541 1.369 ( 0.000 -1.492 2.268) 2.715 1.526 ( 0.000 -5.785 3.426) 6.723 1.551 ( 0.000 6.874 -2.130) 7.196 1.644 ( 0.000 5.224 3.336) 6.198 1.680 ( 0.000 -3.759 2.850) 4.717 1.737 ( 0.000 -8.069 -2.661) 8.496 1.863 ( 0.000 -3.104 -2.166) 3.785 1.960 ( 0.000 -2.904 1.104) 3.107 1.997 ( 0.000 -0.346 1.284) 1.330 2.131 ( 0.000 1.450 1.447) 2.049 2.278 ( 0.000 -0.532 -4.014) 4.049 2.349 ( 0.000 1.080 3.928) 4.074 2.380 ( 0.000 0.954 1.424) 1.714 2.456 ( 0.000 -1.327 0.213) 1.344 2.486 ( 0.000 0.748 0.899) 1.169 2.502 ( 0.000 1.837 0.340) 1.868 2.508 ( 0.000 -0.777 0.214) 0.806 2.614 ( 0.000 0.768 0.018) 0.769 2.653 ( 0.000 -0.494 -1.206) 1.303 2.755 ( 0.000 5.192 6.592) 8.391 2.803 ( 0.000 5.244 0.651) 5.285 2.803 ( 0.000 -0.249 0.971) 1.002 3.108 ( 0.000 -3.529 4.827) 5.979 3.220 ( 0.000 -6.046 -4.722) 7.672 3.453 ( 0.000 -4.989 -3.294) 5.978 9.844 ( 0.000 0.128 -0.855) 0.864 9.858 ( 0.000 -0.191 -1.292) 1.306 9.907 ( 0.000 -1.211 0.678) 1.387 9.994 ( 0.000 -0.851 0.200) 0.874 10.037 ( 0.000 -0.296 -1.085) 1.125 10.069 ( 0.000 -3.550 -3.638) 5.083 10.129 ( 0.000 4.973 0.312) 4.982 10.163 ( 0.000 5.052 -0.740) 5.106 14.608 ( 0.000 -0.235 0.282) 0.367 14.624 ( 0.000 -0.103 -0.278) 0.297 14.658 ( 0.000 -0.160 -0.956) 0.969 14.684 ( 0.000 0.875 -0.745) 1.149 14.784 ( 0.000 -0.079 -0.616) 0.621 14.789 ( 0.000 0.334 -0.258) 0.422 14.809 ( 0.000 0.614 0.590) 0.852 14.810 ( 0.000 0.392 0.624) 0.736 14.937 ( 0.000 0.564 0.770) 0.955 14.943 ( 0.000 0.365 0.411) 0.550 14.989 ( 0.000 -1.851 0.896) 2.056 15.025 ( 0.000 -2.217 0.030) 2.217 22.214 ( 0.000 -0.111 0.031) 0.115 22.225 ( 0.000 0.068 -0.029) 0.074 22.247 ( 0.000 -0.271 0.127) 0.299 22.253 ( 0.000 -0.572 -0.306) 0.649 29.596 ( 0.000 3.148 1.711) 3.583 29.762 ( 0.000 9.312 -8.709) 12.750 29.823 ( 0.000 -0.800 -3.377) 3.471 29.862 ( 0.000 8.143 -4.217) 9.170 30.558 ( 0.000 -0.854 2.409) 2.556 30.638 ( 0.000 -1.052 2.028) 2.285 31.561 ( 0.000 2.046 13.082) 13.241 31.598 ( 0.000 -1.259 1.095) 1.669 31.788 ( 0.000 -1.745 3.085) 3.545 32.247 ( 0.000 -5.515 2.744) 6.160 32.443 ( 0.000 -0.269 7.600) 7.605 33.170 ( 0.000 -12.312 -12.964) 17.879 ======================= Grid point 141 (50/80) ======================= q-point: ( 0.17 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.522 ( 0.937 1.178 4.998) 5.219 0.567 ( -5.127 5.180 1.689) 7.481 0.733 ( 1.876 3.099 2.809) 4.583 0.740 ( 1.638 2.288 -3.270) 4.314 0.815 ( 1.325 1.669 1.492) 2.601 0.931 ( 0.722 -3.162 -2.620) 4.170 1.007 ( -1.840 1.373 1.428) 2.703 1.044 ( 0.617 1.651 2.040) 2.696 1.086 ( -4.028 3.041 -1.316) 5.216 1.179 ( 1.568 3.540 1.473) 4.143 1.348 ( 0.162 -1.435 1.164) 1.855 1.354 ( 2.732 4.941 7.154) 9.113 1.542 ( 0.443 1.390 -0.139) 1.466 1.558 ( 1.449 0.723 1.470) 2.187 1.612 ( -3.106 -0.557 4.531) 5.522 1.656 ( -1.380 -0.221 1.106) 1.782 1.731 ( -1.326 -4.703 -0.812) 4.953 1.823 ( -3.823 -2.811 -1.187) 4.891 1.950 ( -2.420 0.164 1.460) 2.831 1.963 ( -0.513 -2.862 0.615) 2.972 2.176 ( 2.672 -0.183 -0.069) 2.679 2.256 ( -1.751 -1.677 -3.095) 3.931 2.316 ( -2.915 0.280 3.882) 4.863 2.389 ( -0.810 2.463 1.621) 3.058 2.429 ( -1.867 0.165 -1.318) 2.291 2.492 ( 0.510 2.300 -0.744) 2.471 2.511 ( 2.697 2.221 1.448) 3.782 2.559 ( 3.919 1.121 0.594) 4.119 2.612 ( 0.358 -0.091 0.260) 0.452 2.660 ( 0.639 -1.502 -1.110) 1.974 2.761 ( -0.642 5.573 5.146) 7.613 2.811 ( 1.503 3.414 0.777) 3.811 2.850 ( 4.239 1.831 2.455) 5.230 3.094 ( -1.410 -2.722 3.768) 4.857 3.245 ( 2.471 -7.244 -3.820) 8.554 3.436 ( -1.698 -6.378 -3.100) 7.292 9.848 ( 0.387 0.088 -0.837) 0.926 9.864 ( 0.611 -0.446 -1.291) 1.497 9.902 ( -0.361 -0.935 0.390) 1.076 10.004 ( 0.851 -0.433 0.058) 0.956 10.012 ( -1.900 -2.142 -1.677) 3.318 10.075 ( 0.113 1.009 -2.535) 2.731 10.135 ( 0.634 2.702 -0.106) 2.777 10.164 ( 0.086 4.591 -0.791) 4.660 14.600 ( -0.720 -0.419 0.275) 0.877 14.617 ( -0.846 -0.113 -0.315) 0.910 14.653 ( -0.512 -0.131 -0.944) 1.081 14.669 ( -1.321 0.869 -0.489) 1.655 14.774 ( -0.565 -0.215 -0.316) 0.682 14.786 ( -0.278 0.428 -0.079) 0.517 14.809 ( 0.191 0.743 0.362) 0.849 14.814 ( 0.034 0.306 0.635) 0.706 14.939 ( 0.397 0.322 0.676) 0.848 14.952 ( 0.468 -0.103 -0.028) 0.480 14.999 ( 1.114 -1.841 1.231) 2.479 15.040 ( 1.295 -2.368 0.424) 2.732 22.214 ( 0.035 -0.098 0.021) 0.106 22.223 ( -0.139 0.056 -0.028) 0.153 22.247 ( 0.007 -0.310 0.079) 0.320 22.252 ( -0.069 -0.568 -0.289) 0.641 29.609 ( 1.356 3.796 1.075) 4.172 29.753 ( -1.092 8.641 -7.702) 11.627 29.824 ( 0.328 0.992 -3.742) 3.885 29.870 ( 0.524 6.969 -4.445) 8.282 30.571 ( 1.989 0.083 4.191) 4.639 30.694 ( 5.535 -0.475 1.921) 5.878 31.422 ( -16.968 3.023 8.626) 19.273 31.473 ( -8.508 3.209 10.507) 13.895 31.793 ( 4.371 -0.552 6.517) 7.867 32.283 ( -1.565 -1.612 -0.854) 2.403 32.593 ( 14.929 -11.308 1.367) 18.778 33.163 ( -0.882 -13.306 -12.633) 18.370 ======================= Grid point 142 (51/80) ======================= q-point: ( 0.33 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.443 ( -5.607 -1.537 -1.922) 6.123 0.509 ( -3.215 0.667 0.895) 3.403 0.776 ( 1.316 1.650 3.078) 3.732 0.785 ( 2.361 2.239 -0.440) 3.283 0.853 ( 3.257 -0.011 -0.629) 3.317 0.911 ( -2.483 -1.918 1.513) 3.483 0.970 ( -0.378 -1.843 -1.311) 2.293 1.038 ( -1.810 1.520 0.139) 2.368 1.089 ( 3.371 3.699 1.521) 5.231 1.230 ( 2.164 1.034 2.756) 3.654 1.287 ( -1.981 0.099 1.628) 2.566 1.446 ( 4.384 3.750 2.621) 6.336 1.493 ( -4.998 1.458 1.044) 5.310 1.579 ( 1.422 -0.435 1.696) 2.256 1.597 ( -0.958 0.884 1.625) 2.084 1.648 ( 1.213 -1.905 4.534) 5.066 1.683 ( -3.270 -0.130 0.462) 3.305 1.754 ( -3.287 -2.974 0.165) 4.436 1.917 ( -0.772 0.165 0.552) 0.964 1.949 ( -1.261 -2.955 -0.035) 3.213 2.202 ( 0.479 -3.908 -1.190) 4.113 2.237 ( -0.419 -1.220 -1.108) 1.701 2.264 ( -2.044 0.928 2.427) 3.306 2.322 ( -4.149 1.266 0.301) 4.348 2.444 ( 1.710 3.905 -1.700) 4.589 2.491 ( -0.595 3.687 -1.597) 4.062 2.570 ( 3.002 0.790 1.105) 3.295 2.614 ( 1.629 1.662 0.676) 2.423 2.658 ( 1.881 2.901 0.698) 3.527 2.675 ( 3.749 -0.470 0.330) 3.793 2.736 ( -1.875 7.170 4.011) 8.427 2.820 ( -1.073 4.791 1.753) 5.213 2.938 ( 4.694 0.571 2.678) 5.434 3.060 ( -2.237 -1.935 2.697) 4.003 3.299 ( 3.076 -9.194 -2.959) 10.136 3.398 ( -2.318 -9.064 -2.766) 9.757 9.857 ( 0.592 -0.066 -0.757) 0.963 9.874 ( 0.179 -0.837 -0.922) 1.258 9.902 ( 0.660 -0.733 -0.532) 1.121 9.969 ( -2.362 -2.383 -1.578) 3.708 10.028 ( 1.324 1.145 -0.483) 1.816 10.068 ( -0.711 3.551 -1.559) 3.942 10.149 ( 0.738 1.137 -0.695) 1.523 10.164 ( -0.074 3.380 -0.882) 3.494 14.587 ( -0.588 -0.702 0.270) 0.954 14.596 ( -1.180 -0.306 0.023) 1.220 14.644 ( -0.373 -0.026 -0.910) 0.984 14.649 ( -0.732 0.473 -0.553) 1.033 14.770 ( 0.020 -0.161 -0.117) 0.200 14.780 ( -0.390 0.313 0.044) 0.502 14.812 ( 0.089 0.679 0.254) 0.730 14.813 ( -0.052 0.434 0.506) 0.668 14.947 ( 0.426 -0.201 0.233) 0.526 14.956 ( -0.012 -0.429 -0.197) 0.472 15.027 ( 1.734 -2.021 1.808) 3.218 15.058 ( 0.482 -2.565 1.202) 2.874 22.215 ( 0.083 -0.063 -0.001) 0.104 22.220 ( -0.175 0.023 -0.027) 0.178 22.248 ( 0.030 -0.399 -0.033) 0.401 22.250 ( -0.101 -0.545 -0.240) 0.604 29.642 ( 2.139 5.231 -0.685) 5.692 29.724 ( -1.985 7.532 -5.486) 9.527 29.838 ( 1.141 3.009 -4.370) 5.427 29.873 ( -0.250 5.673 -4.757) 7.408 30.644 ( 6.118 2.917 7.625) 10.202 30.820 ( 6.882 2.149 3.046) 7.827 31.116 ( -13.657 5.847 13.626) 20.159 31.289 ( -11.211 2.535 8.606) 14.359 31.912 ( 7.861 -0.763 5.347) 9.538 32.202 ( -6.416 -0.095 1.380) 6.563 32.859 ( 12.502 -17.815 -7.099) 22.893 33.129 ( -3.102 -15.647 -11.819) 19.853 ======================= Grid point 143 (52/80) ======================= q-point: (-0.50 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.426 ( -3.663 -2.939 -2.050) 5.124 0.426 ( 3.663 -2.939 -2.050) 5.124 0.797 ( -1.035 0.549 1.268) 1.726 0.797 ( 1.035 0.549 1.268) 1.726 0.889 ( -0.909 0.882 0.392) 1.326 0.889 ( 0.909 0.882 0.392) 1.326 0.995 ( -2.719 -1.978 -0.400) 3.386 0.995 ( 2.719 -1.978 -0.400) 3.386 1.166 ( -4.910 2.118 2.482) 5.895 1.166 ( 4.910 2.118 2.482) 5.895 1.372 ( -6.856 1.027 0.756) 6.974 1.372 ( 6.856 1.027 0.756) 6.974 1.536 ( -4.506 1.934 1.625) 5.165 1.536 ( 4.506 1.934 1.625) 5.165 1.619 ( -2.539 0.824 3.366) 4.296 1.619 ( 2.539 0.824 3.366) 4.296 1.699 ( -2.786 -2.642 1.492) 4.119 1.699 ( 2.786 -2.642 1.492) 4.119 1.923 ( -1.220 -1.505 -0.138) 1.943 1.923 ( 1.220 -1.505 -0.138) 1.943 2.216 ( -1.259 -3.468 -0.573) 3.734 2.216 ( 1.259 -3.468 -0.573) 3.734 2.266 ( -1.800 1.589 0.469) 2.446 2.266 ( 1.800 1.589 0.469) 2.446 2.473 ( -1.354 4.404 -1.908) 4.987 2.473 ( 1.354 4.404 -1.908) 4.987 2.612 ( -1.562 -1.062 -0.094) 1.891 2.612 ( 1.562 -1.062 -0.094) 1.891 2.693 ( -2.638 6.105 3.061) 7.321 2.693 ( 2.638 6.105 3.061) 7.321 2.767 ( -4.481 5.402 1.628) 7.205 2.767 ( 4.481 5.402 1.628) 7.205 3.011 ( -3.225 -1.080 2.509) 4.226 3.011 ( 3.225 -1.080 2.509) 4.226 3.352 ( -2.679 -10.201 -2.659) 10.877 3.352 ( 2.679 -10.201 -2.659) 10.877 9.868 ( -0.596 -0.387 -0.638) 0.955 9.868 ( 0.596 -0.387 -0.638) 0.955 9.928 ( -2.007 -1.637 -1.335) 2.914 9.928 ( 2.007 -1.637 -1.335) 2.914 10.051 ( -1.134 2.884 -0.961) 3.244 10.051 ( 1.134 2.884 -0.961) 3.244 10.160 ( -0.418 1.927 -0.900) 2.167 10.160 ( 0.418 1.927 -0.900) 2.167 14.582 ( -0.214 -0.678 0.252) 0.754 14.582 ( 0.214 -0.678 0.252) 0.754 14.641 ( -0.140 0.155 -0.807) 0.834 14.641 ( 0.140 0.155 -0.807) 0.834 14.773 ( -0.324 0.052 0.020) 0.329 14.773 ( 0.324 0.052 0.020) 0.329 14.813 ( -0.016 0.584 0.313) 0.663 14.813 ( 0.016 0.584 0.313) 0.663 14.953 ( -0.246 -0.451 -0.072) 0.519 14.953 ( 0.246 -0.451 -0.072) 0.519 15.054 ( -0.958 -2.400 1.809) 3.154 15.054 ( 0.958 -2.400 1.809) 3.154 22.217 ( -0.140 -0.020 -0.019) 0.143 22.217 ( 0.140 -0.020 -0.019) 0.143 22.249 ( -0.077 -0.489 -0.153) 0.518 22.249 ( 0.077 -0.489 -0.153) 0.518 29.683 ( -2.301 6.557 -3.058) 7.592 29.683 ( 2.301 6.557 -3.058) 7.592 29.860 ( -1.088 4.393 -4.720) 6.539 29.860 ( 1.088 4.393 -4.720) 6.539 30.791 ( -9.028 6.732 9.831) 14.949 30.791 ( 9.028 6.732 9.831) 14.949 31.087 ( -9.370 1.103 7.694) 12.174 31.087 ( 9.370 1.103 7.694) 12.174 32.064 ( -8.291 -0.355 3.518) 9.014 32.064 ( 8.291 -0.355 3.518) 9.014 33.038 ( -7.115 -17.887 -10.428) 21.893 33.038 ( 7.115 -17.887 -10.428) 21.893 ======================= Grid point 147 (53/80) ======================= q-point: ( 0.00 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.542 ( 0.000 2.250 4.289) 4.843 0.709 ( 0.000 3.115 3.119) 4.408 0.765 ( 0.000 2.208 -0.326) 2.232 0.791 ( 0.000 1.192 -0.302) 1.230 0.814 ( 0.000 -4.230 -0.741) 4.295 0.872 ( 0.000 2.555 1.135) 2.796 1.072 ( 0.000 3.704 0.408) 3.727 1.078 ( 0.000 1.345 -0.231) 1.364 1.166 ( 0.000 0.134 -1.233) 1.241 1.251 ( 0.000 0.438 -5.178) 5.196 1.364 ( 0.000 -3.792 3.275) 5.011 1.368 ( 0.000 3.741 6.039) 7.104 1.473 ( 0.000 4.605 7.771) 9.033 1.552 ( 0.000 -9.194 -2.030) 9.416 1.643 ( 0.000 0.050 4.070) 4.070 1.668 ( 0.000 4.607 -3.560) 5.822 1.726 ( 0.000 1.612 3.125) 3.517 1.816 ( 0.000 -1.893 -1.647) 2.510 1.940 ( 0.000 1.561 0.478) 1.633 2.006 ( 0.000 0.953 -0.025) 0.953 2.174 ( 0.000 2.755 1.495) 3.135 2.276 ( 0.000 0.385 -1.942) 1.980 2.362 ( 0.000 0.376 3.504) 3.524 2.408 ( 0.000 1.826 2.243) 2.892 2.420 ( 0.000 -2.077 0.409) 2.116 2.457 ( 0.000 -2.826 1.628) 3.261 2.502 ( 0.000 -2.578 0.171) 2.584 2.512 ( 0.000 0.562 -0.934) 1.090 2.607 ( 0.000 -1.195 0.763) 1.418 2.624 ( 0.000 -1.192 -0.263) 1.221 2.830 ( 0.000 2.064 -0.212) 2.075 2.832 ( 0.000 2.654 0.532) 2.707 2.902 ( 0.000 2.894 2.331) 3.716 3.061 ( 0.000 -7.843 -0.607) 7.866 3.086 ( 0.000 2.310 5.925) 6.359 3.372 ( 0.000 -3.927 -1.288) 4.133 9.847 ( 0.000 0.188 -0.833) 0.854 9.855 ( 0.000 -0.106 -1.041) 1.047 9.891 ( 0.000 -0.324 -0.701) 0.773 9.973 ( 0.000 -0.974 0.481) 1.086 9.994 ( 0.000 -3.630 -3.409) 4.980 10.006 ( 0.000 -1.931 -0.352) 1.963 10.249 ( 0.000 5.714 -0.552) 5.740 10.269 ( 0.000 4.894 -1.038) 5.003 14.608 ( 0.000 0.263 0.032) 0.265 14.624 ( 0.000 0.021 -0.406) 0.406 14.662 ( 0.000 0.598 -0.761) 0.968 14.700 ( 0.000 0.559 -0.648) 0.856 14.776 ( 0.000 -0.551 -0.589) 0.807 14.793 ( 0.000 -0.077 -0.150) 0.168 14.814 ( 0.000 0.117 0.521) 0.534 14.819 ( 0.000 0.341 0.629) 0.715 14.941 ( 0.000 -0.758 0.159) 0.774 14.943 ( 0.000 -0.543 0.115) 0.555 14.960 ( 0.000 -0.397 1.264) 1.325 14.985 ( 0.000 -1.418 0.520) 1.510 22.213 ( 0.000 0.065 0.017) 0.067 22.226 ( 0.000 0.020 0.078) 0.081 22.242 ( 0.000 -0.478 -0.332) 0.582 22.242 ( 0.000 -0.226 0.080) 0.240 29.658 ( 0.000 3.006 0.395) 3.032 29.795 ( 0.000 -1.558 -2.652) 3.075 29.929 ( 0.000 6.872 -10.189) 12.290 30.005 ( 0.000 5.573 -6.855) 8.835 30.539 ( 0.000 -0.858 2.306) 2.460 30.606 ( 0.000 -2.111 3.002) 3.670 31.582 ( 0.000 -0.091 3.239) 3.240 31.615 ( 0.000 2.641 15.802) 16.021 31.762 ( 0.000 -0.084 0.314) 0.325 32.127 ( 0.000 -6.761 4.443) 8.090 32.466 ( 0.000 2.855 6.198) 6.824 32.922 ( 0.000 -11.849 -7.010) 13.767 ======================= Grid point 148 (54/80) ======================= q-point: ( 0.17 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( -2.004 1.808 2.479) 3.665 0.687 ( -5.278 4.519 1.485) 7.105 0.756 ( 1.715 -1.609 3.317) 4.066 0.773 ( 1.281 1.463 -1.498) 2.455 0.831 ( 0.561 0.720 1.929) 2.134 0.889 ( 0.430 -0.662 -3.650) 3.735 1.025 ( -5.046 1.410 1.834) 5.551 1.098 ( 1.582 3.346 2.768) 4.621 1.161 ( -0.683 2.784 -3.411) 4.455 1.225 ( -1.157 0.838 -2.120) 2.556 1.281 ( -2.709 -3.830 2.044) 5.117 1.471 ( 4.420 2.356 4.915) 7.018 1.478 ( 1.571 -1.091 3.038) 3.590 1.547 ( -1.693 -3.270 1.339) 3.918 1.634 ( -0.430 -0.320 4.179) 4.213 1.654 ( -1.313 3.728 -2.510) 4.682 1.717 ( -1.021 0.694 1.441) 1.898 1.796 ( -2.504 -0.510 -1.250) 2.845 1.902 ( -3.166 -1.882 -0.467) 3.713 1.967 ( -3.006 0.555 -0.235) 3.066 2.175 ( -1.428 0.641 0.425) 1.622 2.245 ( -1.281 0.469 -1.521) 2.043 2.331 ( -2.106 1.017 3.598) 4.291 2.391 ( -1.942 -1.366 1.842) 3.005 2.451 ( 3.103 1.413 0.997) 3.553 2.511 ( 1.235 -0.937 0.618) 1.669 2.541 ( 3.604 0.200 2.316) 4.289 2.560 ( 3.781 -1.187 0.335) 3.977 2.610 ( 0.647 0.105 0.010) 0.655 2.632 ( 4.363 0.614 -0.700) 4.461 2.853 ( 1.878 2.700 1.204) 3.503 2.861 ( 2.473 1.320 -0.230) 2.813 2.907 ( 0.746 2.291 2.273) 3.312 3.071 ( 0.656 -6.549 -0.367) 6.592 3.073 ( -1.098 -0.073 5.179) 5.294 3.339 ( -3.467 -3.983 -1.059) 5.386 9.850 ( 0.263 0.130 -0.856) 0.905 9.858 ( 0.332 -0.120 -1.104) 1.160 9.889 ( -0.156 -0.381 -0.650) 0.769 9.958 ( -1.979 -2.629 -1.772) 3.737 9.994 ( 2.214 -0.492 0.185) 2.276 10.051 ( 2.976 -2.040 -1.900) 4.077 10.233 ( -1.629 5.182 -0.504) 5.456 10.259 ( -1.098 4.322 -1.134) 4.601 14.599 ( -0.816 0.336 0.045) 0.883 14.620 ( -0.584 0.225 -0.510) 0.807 14.654 ( -0.724 0.358 -0.734) 1.092 14.683 ( -1.544 0.467 -0.546) 1.703 14.770 ( -0.300 -0.142 -0.341) 0.476 14.793 ( -0.103 0.197 -0.292) 0.367 14.813 ( -0.122 -0.286 0.746) 0.809 14.819 ( 0.040 0.225 0.374) 0.438 14.941 ( 0.082 -0.277 0.300) 0.416 14.946 ( 0.144 -0.612 0.062) 0.632 14.967 ( 0.884 -0.993 1.335) 1.884 14.997 ( 0.948 -1.725 0.703) 2.090 22.214 ( 0.058 0.072 -0.004) 0.093 22.225 ( -0.123 0.067 0.048) 0.148 22.240 ( -0.099 -0.472 -0.216) 0.529 22.242 ( -0.061 -0.310 -0.048) 0.319 29.683 ( 2.483 3.440 -0.481) 4.270 29.806 ( 1.176 -0.681 -3.307) 3.575 29.919 ( -1.016 6.293 -9.416) 11.371 29.998 ( -0.879 4.895 -7.099) 8.667 30.576 ( 4.435 0.468 4.665) 6.454 30.672 ( 6.761 -1.699 3.212) 7.675 31.479 ( -9.992 3.082 8.833) 13.688 31.552 ( -8.082 3.797 12.805) 15.611 31.787 ( 4.310 0.493 2.961) 5.252 32.199 ( 5.371 -7.780 -1.967) 9.656 32.453 ( -0.423 -1.292 6.210) 6.357 32.894 ( -3.067 -12.945 -7.232) 15.142 ======================= Grid point 149 (55/80) ======================= q-point: ( 0.33 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.444 ( -5.101 3.273 -2.240) 6.462 0.596 ( -5.728 5.527 0.765) 7.996 0.789 ( -2.399 -0.837 3.669) 4.463 0.800 ( 0.249 -0.243 -2.517) 2.541 0.835 ( 3.674 -0.782 1.192) 3.941 0.880 ( 0.841 -0.804 0.725) 1.370 0.954 ( -1.780 0.285 0.768) 1.959 1.066 ( -4.595 -0.190 -0.689) 4.650 1.185 ( 3.102 5.588 -0.031) 6.392 1.237 ( 0.597 0.180 1.766) 1.872 1.278 ( 3.093 -0.810 -1.157) 3.400 1.462 ( -4.437 -2.162 0.199) 4.940 1.524 ( 1.506 -0.899 3.631) 4.032 1.550 ( 3.026 1.238 3.046) 4.468 1.613 ( -1.842 0.609 3.883) 4.340 1.638 ( -0.358 0.861 1.173) 1.499 1.692 ( -1.703 0.642 -1.715) 2.500 1.734 ( -3.395 0.258 0.043) 3.405 1.859 ( -1.288 -5.632 -2.198) 6.182 1.908 ( -3.210 -1.580 -1.319) 3.813 2.151 ( -0.139 -0.109 0.494) 0.525 2.223 ( -1.985 0.168 -0.867) 2.172 2.300 ( -0.777 1.733 3.135) 3.666 2.346 ( -2.509 0.696 1.962) 3.260 2.507 ( 2.730 1.681 0.468) 3.240 2.536 ( 1.022 -0.662 0.456) 1.300 2.547 ( -0.203 0.761 0.883) 1.183 2.575 ( -0.917 -2.837 -0.116) 2.984 2.714 ( 7.535 4.413 2.982) 9.227 2.766 ( 7.939 3.920 0.844) 8.894 2.872 ( -0.349 4.534 3.176) 5.547 2.896 ( 1.039 2.010 0.035) 2.263 2.941 ( 2.588 -0.324 1.137) 2.846 3.031 ( -2.886 0.467 3.960) 4.923 3.098 ( 1.929 -9.986 -0.691) 10.194 3.253 ( -5.591 -5.086 -0.595) 7.582 9.856 ( 0.395 0.020 -0.909) 0.991 9.865 ( 0.220 -0.146 -1.200) 1.229 9.888 ( 0.203 -0.624 -0.633) 0.912 9.925 ( -1.568 -1.911 -1.372) 2.828 10.048 ( 3.444 0.927 -0.374) 3.586 10.106 ( 2.659 -0.036 -2.156) 3.423 10.194 ( -2.343 3.319 -0.337) 4.077 10.229 ( -2.124 2.741 -1.296) 3.701 14.585 ( -0.566 0.505 0.028) 0.759 14.601 ( -1.260 0.751 -0.401) 1.521 14.642 ( -0.409 -0.164 -0.633) 0.771 14.656 ( -1.188 0.133 -0.597) 1.336 14.769 ( 0.222 0.180 -0.152) 0.324 14.787 ( -0.556 0.400 -0.138) 0.698 14.812 ( 0.116 -0.440 0.548) 0.712 14.819 ( -0.099 -0.046 0.230) 0.255 14.944 ( 0.152 -0.109 0.343) 0.391 14.947 ( 0.013 -0.366 0.143) 0.394 14.988 ( 1.258 -1.736 1.489) 2.610 15.010 ( 0.335 -2.178 1.104) 2.465 22.215 ( 0.126 0.097 -0.045) 0.165 22.222 ( -0.189 0.131 -0.018) 0.231 22.239 ( -0.055 -0.520 -0.176) 0.551 22.240 ( -0.104 -0.401 -0.106) 0.428 29.740 ( 3.453 4.399 -2.753) 6.233 29.826 ( 0.227 2.623 -5.216) 5.843 29.903 ( -0.108 3.642 -7.135) 8.011 29.971 ( -2.072 3.314 -7.029) 8.042 30.711 ( 10.298 3.634 8.600) 13.900 30.841 ( 11.217 0.097 5.118) 12.329 31.243 ( -14.658 6.321 12.605) 20.340 31.352 ( -12.898 3.323 11.519) 17.609 31.911 ( 8.514 1.146 3.122) 9.140 32.213 ( -4.678 0.926 -1.083) 4.890 32.519 ( 7.703 -15.063 -0.837) 16.938 32.810 ( -5.969 -15.423 -7.342) 18.094 ======================= Grid point 150 (56/80) ======================= q-point: (-0.50 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.457 ( -6.629 5.564 -3.429) 9.309 0.457 ( 6.629 5.564 -3.429) 9.309 0.777 ( -1.432 -2.048 2.202) 3.330 0.777 ( 1.432 -2.048 2.202) 3.330 0.896 ( -2.006 0.111 1.913) 2.774 0.896 ( 2.006 0.111 1.913) 2.774 0.974 ( -4.750 -0.799 -1.609) 5.078 0.974 ( 4.750 -0.799 -1.609) 5.078 1.230 ( -1.320 3.805 0.809) 4.108 1.230 ( 1.320 3.805 0.809) 4.108 1.366 ( -5.533 -1.244 0.086) 5.672 1.366 ( 5.533 -1.244 0.086) 5.672 1.553 ( -2.015 -0.861 3.068) 3.770 1.553 ( 2.015 -0.861 3.068) 3.770 1.622 ( -1.941 1.079 3.047) 3.771 1.622 ( 1.941 1.079 3.047) 3.771 1.684 ( -1.779 -0.009 -1.337) 2.226 1.684 ( 1.779 -0.009 -1.337) 2.226 1.861 ( -1.566 -4.448 -2.225) 5.214 1.861 ( 1.566 -4.448 -2.225) 5.214 2.175 ( -2.482 0.092 0.273) 2.499 2.175 ( 2.482 0.092 0.273) 2.499 2.309 ( -1.458 1.744 2.158) 3.134 2.309 ( 1.458 1.744 2.158) 3.134 2.542 ( -0.845 2.251 0.295) 2.423 2.542 ( 0.845 2.251 0.295) 2.423 2.553 ( -1.224 -2.563 0.262) 2.852 2.553 ( 1.224 -2.563 0.262) 2.852 2.829 ( -4.357 5.963 3.916) 8.359 2.829 ( 4.357 5.963 3.916) 8.359 2.880 ( -3.516 4.202 1.227) 5.615 2.880 ( 3.516 4.202 1.227) 5.615 2.982 ( -2.118 -1.369 1.432) 2.901 2.982 ( 2.118 -1.369 1.432) 2.901 3.154 ( -4.525 -8.578 -0.491) 9.711 3.154 ( 4.525 -8.578 -0.491) 9.711 9.863 ( -0.327 -0.067 -1.020) 1.073 9.863 ( 0.327 -0.067 -1.020) 1.073 9.900 ( -1.088 -1.193 -0.994) 1.896 9.900 ( 1.088 -1.193 -0.994) 1.896 10.110 ( -2.720 2.807 -1.180) 4.083 10.110 ( 2.720 2.807 -1.180) 4.083 10.186 ( -2.044 0.686 -1.071) 2.407 10.186 ( 2.044 0.686 -1.071) 2.407 14.584 ( -0.481 0.734 -0.086) 0.882 14.584 ( 0.481 0.734 -0.086) 0.882 14.642 ( -0.383 -0.191 -0.684) 0.807 14.642 ( 0.383 -0.191 -0.684) 0.807 14.776 ( -0.534 0.322 -0.050) 0.625 14.776 ( 0.534 0.322 -0.050) 0.625 14.816 ( -0.209 -0.270 0.285) 0.444 14.816 ( 0.209 -0.270 0.285) 0.444 14.946 ( -0.107 -0.166 0.263) 0.329 14.946 ( 0.107 -0.166 0.263) 0.329 15.007 ( -0.643 -2.192 1.440) 2.700 15.007 ( 0.643 -2.192 1.440) 2.700 22.218 ( -0.183 0.131 -0.059) 0.233 22.218 ( 0.183 0.131 -0.059) 0.233 22.239 ( -0.047 -0.490 -0.145) 0.513 22.239 ( 0.047 -0.490 -0.145) 0.513 29.799 ( -2.724 5.047 -5.205) 7.745 29.799 ( 2.724 5.047 -5.205) 7.745 29.928 ( -2.321 1.942 -6.279) 6.971 29.928 ( 2.321 1.942 -6.279) 6.971 30.934 ( -11.659 7.030 10.554) 17.226 30.934 ( 11.659 7.030 10.554) 17.226 31.111 ( -11.047 0.984 9.915) 14.877 31.111 ( 11.047 0.984 9.915) 14.877 32.077 ( -8.963 2.135 1.988) 9.426 32.077 ( 8.963 2.135 1.988) 9.426 32.677 ( -8.427 -17.449 -6.091) 20.312 32.677 ( 8.427 -17.449 -6.091) 20.312 ======================= Grid point 154 (57/80) ======================= q-point: ( 0.00 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( 0.000 3.407 2.966) 4.517 0.676 ( 0.000 -4.117 2.356) 4.743 0.781 ( 0.000 0.995 0.297) 1.039 0.799 ( 0.000 -0.380 0.232) 0.445 0.841 ( 0.000 3.054 -1.021) 3.220 0.884 ( 0.000 -1.089 -0.166) 1.101 1.117 ( 0.000 2.559 1.897) 3.186 1.145 ( 0.000 2.395 1.249) 2.701 1.167 ( 0.000 0.022 0.202) 0.203 1.208 ( 0.000 -2.876 -1.662) 3.322 1.291 ( 0.000 -0.592 -1.113) 1.261 1.367 ( 0.000 -6.432 -1.308) 6.563 1.492 ( 0.000 4.131 4.005) 5.754 1.537 ( 0.000 0.303 5.727) 5.735 1.674 ( 0.000 2.331 4.168) 4.775 1.716 ( 0.000 -1.775 3.093) 3.566 1.740 ( 0.000 2.811 -2.886) 4.028 1.784 ( 0.000 -1.640 -1.995) 2.583 1.995 ( 0.000 2.653 0.523) 2.704 2.020 ( 0.000 0.091 -0.307) 0.321 2.238 ( 0.000 3.422 1.359) 3.682 2.283 ( 0.000 -0.434 0.297) 0.526 2.371 ( 0.000 0.668 1.799) 1.919 2.380 ( 0.000 -1.346 0.222) 1.365 2.402 ( 0.000 -1.929 0.485) 1.989 2.425 ( 0.000 -3.312 -0.170) 3.316 2.459 ( 0.000 2.590 3.603) 4.437 2.508 ( 0.000 -1.482 1.987) 2.479 2.584 ( 0.000 -0.225 -0.524) 0.571 2.602 ( 0.000 -1.363 -0.712) 1.538 2.856 ( 0.000 0.300 -1.323) 1.356 2.856 ( 0.000 0.165 -1.103) 1.116 2.933 ( 0.000 1.048 2.546) 2.753 2.958 ( 0.000 -2.306 2.214) 3.197 3.177 ( 0.000 5.544 4.250) 6.986 3.284 ( 0.000 -4.966 1.475) 5.180 9.851 ( 0.000 0.139 -0.875) 0.886 9.853 ( 0.000 -0.110 -0.925) 0.931 9.896 ( 0.000 0.972 -1.879) 2.115 9.931 ( 0.000 -2.497 -2.789) 3.744 9.962 ( 0.000 -0.012 0.377) 0.377 9.974 ( 0.000 -1.147 0.091) 1.151 10.333 ( 0.000 2.403 -0.898) 2.565 10.339 ( 0.000 1.797 -1.038) 2.076 14.616 ( 0.000 0.415 -0.111) 0.430 14.622 ( 0.000 -0.216 -0.258) 0.336 14.680 ( 0.000 1.128 -0.780) 1.371 14.700 ( 0.000 -0.615 -0.747) 0.968 14.772 ( 0.000 0.334 -0.212) 0.396 14.784 ( 0.000 -0.687 0.011) 0.687 14.818 ( 0.000 0.251 0.215) 0.330 14.821 ( 0.000 -0.059 0.334) 0.339 14.921 ( 0.000 -0.575 0.068) 0.579 14.925 ( 0.000 -0.856 -0.051) 0.858 14.965 ( 0.000 0.383 1.036) 1.104 14.971 ( 0.000 -0.304 0.889) 0.940 22.217 ( 0.000 0.269 0.037) 0.272 22.223 ( 0.000 -0.313 0.105) 0.330 22.237 ( 0.000 -0.011 -0.224) 0.224 22.238 ( 0.000 -0.155 -0.029) 0.157 29.713 ( 0.000 2.493 -0.735) 2.599 29.758 ( 0.000 -2.034 -1.700) 2.651 30.037 ( 0.000 3.757 -10.574) 11.222 30.070 ( 0.000 0.728 -9.507) 9.535 30.534 ( 0.000 0.530 3.666) 3.704 30.561 ( 0.000 -2.082 4.028) 4.534 31.596 ( 0.000 1.339 5.897) 6.047 31.627 ( 0.000 -1.277 10.635) 10.712 31.826 ( 0.000 6.270 2.448) 6.731 31.976 ( 0.000 -8.047 4.081) 9.023 32.558 ( 0.000 6.267 4.218) 7.554 32.712 ( 0.000 -9.098 -0.320) 9.104 ======================= Grid point 155 (58/80) ======================= q-point: ( 0.17 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( -1.292 3.752 2.589) 4.738 0.674 ( -1.163 -3.968 3.315) 5.300 0.766 ( 0.208 2.020 0.461) 2.082 0.789 ( 0.840 -0.137 -0.574) 1.026 0.855 ( -0.113 1.262 0.463) 1.349 0.876 ( -1.530 -0.859 -1.552) 2.342 1.075 ( -4.986 3.341 2.478) 6.493 1.130 ( -3.865 -0.903 2.404) 4.641 1.189 ( 2.089 -0.727 -0.150) 2.217 1.210 ( 1.004 -2.237 -1.596) 2.926 1.256 ( 0.272 4.488 -2.241) 5.024 1.374 ( 1.844 -6.499 -1.392) 6.898 1.519 ( 1.128 2.398 3.671) 4.528 1.547 ( 0.034 0.038 4.976) 4.977 1.666 ( -0.469 2.341 4.018) 4.673 1.703 ( -1.713 -0.252 2.875) 3.357 1.720 ( -1.624 1.393 -3.139) 3.799 1.764 ( -1.854 -2.299 -2.300) 3.743 1.909 ( -7.459 2.070 -0.651) 7.769 1.955 ( -5.663 -1.872 -1.304) 6.105 2.216 ( -1.913 3.033 0.870) 3.690 2.256 ( -0.878 -0.186 -0.230) 0.927 2.346 ( -1.760 0.521 1.783) 2.558 2.364 ( -2.122 -1.414 1.005) 2.741 2.465 ( 3.446 0.979 2.379) 4.300 2.500 ( 3.536 0.580 3.097) 4.736 2.510 ( 4.817 -2.708 2.734) 6.165 2.527 ( 1.751 -1.720 2.349) 3.397 2.631 ( 5.083 1.147 -0.591) 5.244 2.643 ( 6.790 0.067 -1.311) 6.916 2.866 ( 1.062 -0.078 -0.854) 1.365 2.874 ( 1.830 -0.540 -1.206) 2.257 2.931 ( -0.261 0.806 2.121) 2.284 2.954 ( -0.450 -2.573 1.925) 3.245 3.160 ( -1.948 5.287 4.057) 6.943 3.258 ( -2.836 -4.416 1.552) 5.473 9.853 ( 0.237 0.173 -0.886) 0.934 9.856 ( 0.339 -0.145 -0.926) 0.997 9.890 ( -0.525 0.596 -1.448) 1.652 9.914 ( -1.180 -1.721 -1.759) 2.729 9.993 ( 3.115 0.455 -0.170) 3.152 10.013 ( 3.516 -1.563 -0.936) 3.960 10.311 ( -2.326 2.309 -0.932) 3.407 10.319 ( -2.093 1.470 -1.121) 2.792 14.610 ( -0.513 0.629 -0.115) 0.820 14.620 ( -0.250 -0.269 -0.329) 0.493 14.667 ( -1.303 0.883 -0.746) 1.742 14.683 ( -1.615 -0.512 -0.680) 1.825 14.773 ( 0.165 0.557 -0.169) 0.605 14.788 ( 0.319 -0.722 -0.035) 0.790 14.812 ( -0.545 0.281 0.248) 0.662 14.819 ( -0.292 -0.252 0.203) 0.436 14.929 ( 0.733 -0.508 0.207) 0.916 14.930 ( 0.574 -0.631 0.130) 0.863 14.964 ( 0.003 0.340 1.082) 1.134 14.974 ( 0.205 -0.673 0.889) 1.133 22.217 ( 0.066 0.267 0.007) 0.275 22.223 ( 0.028 -0.266 0.080) 0.279 22.235 ( -0.198 -0.022 -0.217) 0.294 22.237 ( -0.155 -0.198 -0.056) 0.258 29.742 ( 2.975 2.512 -1.666) 4.235 29.783 ( 2.558 -1.595 -2.520) 3.930 30.018 ( -2.006 3.467 -9.934) 10.711 30.051 ( -2.015 0.364 -9.268) 9.492 30.595 ( 6.767 1.477 5.412) 8.789 30.632 ( 7.468 -2.111 4.805) 9.127 31.543 ( -6.353 3.087 9.559) 11.885 31.587 ( -6.085 -0.694 12.460) 13.884 31.847 ( 3.861 6.079 0.599) 7.227 32.012 ( 4.600 -9.658 0.348) 10.703 32.509 ( -5.181 5.779 3.593) 8.552 32.665 ( -4.933 -9.715 -1.091) 10.950 ======================= Grid point 156 (59/80) ======================= q-point: ( 0.33 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( -1.330 6.484 0.284) 6.625 0.653 ( -0.295 -1.786 3.443) 3.890 0.771 ( -5.890 0.770 -3.779) 7.041 0.794 ( -3.729 -0.653 -0.214) 3.791 0.835 ( 3.388 0.761 2.152) 4.085 0.861 ( 3.036 -1.368 2.075) 3.924 0.980 ( -4.026 2.236 1.944) 4.999 1.032 ( -5.162 -2.579 0.893) 5.839 1.240 ( 3.154 0.155 -0.563) 3.207 1.253 ( 3.532 -1.220 -1.530) 4.038 1.301 ( 2.210 5.581 -0.430) 6.018 1.399 ( -1.171 -4.080 -0.482) 4.272 1.516 ( 0.078 1.186 3.048) 3.271 1.553 ( 1.862 -1.515 3.459) 4.210 1.641 ( -3.724 2.061 3.359) 5.422 1.668 ( -0.640 1.242 1.314) 1.918 1.693 ( -1.581 -0.523 -1.532) 2.262 1.734 ( -0.765 -2.478 -3.347) 4.235 1.780 ( -5.604 1.261 -2.081) 6.109 1.850 ( -5.324 -3.940 -2.481) 7.073 2.198 ( 0.167 4.059 1.320) 4.272 2.248 ( -0.500 1.306 -0.047) 1.399 2.303 ( -2.034 -1.220 2.151) 3.202 2.329 ( -1.753 -2.241 1.502) 3.217 2.516 ( 2.000 1.189 2.366) 3.319 2.538 ( 0.650 -0.234 2.303) 2.404 2.545 ( 1.297 0.151 3.250) 3.503 2.557 ( 0.810 -0.781 1.819) 2.139 2.782 ( 8.841 2.255 2.038) 9.349 2.806 ( 8.752 0.127 1.068) 8.818 2.889 ( 1.118 -0.224 -0.027) 1.140 2.923 ( 2.456 -0.991 -0.109) 2.651 2.929 ( 1.803 -0.545 0.286) 1.906 2.943 ( -0.667 -3.012 1.139) 3.288 3.101 ( -4.594 4.553 3.413) 7.313 3.178 ( -5.837 -3.244 1.638) 6.876 9.859 ( 0.410 0.270 -0.931) 1.052 9.864 ( 0.490 -0.116 -1.002) 1.121 9.880 ( -0.485 0.106 -1.056) 1.167 9.894 ( -0.920 -1.164 -1.254) 1.942 10.068 ( 4.842 1.094 -0.748) 5.020 10.091 ( 4.736 -1.107 -1.389) 5.058 10.251 ( -4.147 1.933 -0.986) 4.681 10.264 ( -3.853 0.627 -1.289) 4.111 14.602 ( -0.205 1.029 -0.170) 1.063 14.615 ( -0.248 0.134 -0.492) 0.567 14.639 ( -1.456 0.205 -0.497) 1.552 14.651 ( -1.589 -0.605 -0.640) 1.817 14.779 ( 0.394 0.751 -0.093) 0.853 14.794 ( 0.184 -0.267 -0.215) 0.389 14.801 ( -0.445 -0.016 0.344) 0.563 14.812 ( -0.412 -0.579 0.080) 0.715 14.942 ( 0.617 -0.014 0.428) 0.751 14.944 ( 0.724 -0.101 0.475) 0.872 14.965 ( 0.092 -0.373 1.093) 1.159 14.975 ( -0.123 -1.216 0.934) 1.538 22.219 ( 0.151 0.270 -0.060) 0.315 22.224 ( 0.033 -0.044 0.017) 0.058 22.230 ( -0.213 -0.168 -0.205) 0.340 22.233 ( -0.228 -0.295 -0.089) 0.383 29.812 ( 4.266 2.701 -3.936) 6.402 29.844 ( 3.822 -0.465 -4.468) 5.898 29.968 ( -3.247 2.602 -8.429) 9.400 29.999 ( -3.467 -0.294 -8.283) 8.984 30.780 ( 13.179 3.039 8.685) 16.073 30.826 ( 13.387 -1.529 7.431) 15.388 31.351 ( -14.077 4.124 12.355) 19.179 31.393 ( -14.092 0.145 12.647) 18.935 31.979 ( 9.597 6.065 0.155) 11.354 32.146 ( 8.999 -9.208 -3.429) 13.324 32.380 ( -8.233 3.393 2.385) 9.219 32.539 ( -8.512 -11.277 -2.497) 14.348 ======================= Grid point 157 (60/80) ======================= q-point: (-0.50 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( -5.880 7.304 -1.832) 9.554 0.598 ( 5.880 7.304 -1.832) 9.554 0.717 ( -3.215 -4.321 1.227) 5.525 0.717 ( 3.215 -4.321 1.227) 5.525 0.909 ( -3.225 1.437 2.529) 4.343 0.909 ( 3.225 1.437 2.529) 4.343 0.947 ( -4.060 -1.929 0.510) 4.524 0.947 ( 4.060 -1.929 0.510) 4.524 1.294 ( -2.487 2.317 -0.590) 3.450 1.294 ( 2.487 2.317 -0.590) 3.450 1.333 ( -4.719 -1.893 -0.395) 5.100 1.333 ( 4.719 -1.893 -0.395) 5.100 1.557 ( -3.917 2.316 2.793) 5.339 1.557 ( 3.917 2.316 2.793) 5.339 1.622 ( -3.837 -2.780 2.471) 5.344 1.622 ( 3.837 -2.780 2.471) 5.344 1.697 ( -2.271 2.614 -2.876) 4.502 1.697 ( 2.271 2.614 -2.876) 4.502 1.769 ( -3.203 -4.304 -2.893) 6.096 1.769 ( 3.203 -4.304 -2.893) 6.096 2.220 ( -1.980 3.952 0.970) 4.526 2.220 ( 1.980 3.952 0.970) 4.526 2.300 ( -1.204 -2.944 1.794) 3.651 2.300 ( 1.204 -2.944 1.794) 3.651 2.538 ( -0.562 1.102 2.335) 2.642 2.538 ( 0.562 1.102 2.335) 2.642 2.562 ( -0.416 -0.430 2.396) 2.469 2.562 ( 0.416 -0.430 2.396) 2.469 2.881 ( -1.968 0.584 1.635) 2.624 2.881 ( 1.968 0.584 1.635) 2.624 2.911 ( -2.338 -2.045 0.828) 3.214 2.911 ( 2.338 -2.045 0.828) 3.214 2.992 ( -5.965 3.255 1.893) 7.054 2.992 ( 5.965 3.255 1.893) 7.054 3.049 ( -7.584 -2.555 1.002) 8.066 3.049 ( 7.584 -2.555 1.002) 8.066 9.867 ( -0.369 0.441 -1.057) 1.204 9.867 ( 0.369 0.441 -1.057) 1.204 9.880 ( -0.591 -0.858 -0.960) 1.417 9.880 ( 0.591 -0.858 -0.960) 1.417 10.158 ( -3.594 1.988 -1.241) 4.290 10.158 ( 3.594 1.988 -1.241) 4.290 10.186 ( -3.308 -0.731 -1.185) 3.589 10.186 ( 3.308 -0.731 -1.185) 3.589 14.606 ( -0.617 1.344 -0.351) 1.520 14.606 ( 0.617 1.344 -0.351) 1.520 14.630 ( -0.561 -0.965 -0.529) 1.235 14.630 ( 0.561 -0.965 -0.529) 1.235 14.787 ( -0.542 0.766 -0.048) 0.940 14.787 ( 0.542 0.766 -0.048) 0.940 14.804 ( -0.409 -0.814 0.085) 0.915 14.804 ( 0.409 -0.814 0.085) 0.915 14.950 ( -0.165 0.555 0.606) 0.838 14.950 ( 0.165 0.555 0.606) 0.838 14.970 ( -0.399 -1.462 0.995) 1.813 14.970 ( 0.399 -1.462 0.995) 1.813 22.223 ( -0.187 0.287 -0.088) 0.354 22.223 ( 0.187 0.287 -0.088) 0.354 22.230 ( -0.134 -0.411 -0.117) 0.448 22.230 ( 0.134 -0.411 -0.117) 0.448 29.885 ( -2.635 3.488 -6.246) 7.624 29.885 ( 2.635 3.488 -6.246) 7.624 29.934 ( -2.643 -1.241 -6.738) 7.343 29.934 ( 2.643 -1.241 -6.738) 7.343 31.054 ( -12.911 4.657 11.071) 17.634 31.054 ( 12.911 4.657 11.071) 17.634 31.112 ( -12.681 -1.204 11.009) 16.836 31.112 ( 12.681 -1.204 11.009) 16.836 32.166 ( -9.510 7.093 -0.048) 11.864 32.166 ( 9.510 7.093 -0.048) 11.864 32.368 ( -9.251 -13.068 -2.660) 16.231 32.368 ( 9.251 -13.068 -2.660) 16.231 ======================= Grid point 189 (61/80) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.341 ( 0.000 0.000 6.452) 6.452 0.466 ( 0.000 0.000 -6.163) 6.163 0.605 ( 0.000 0.000 8.140) 8.140 0.728 ( 0.000 0.000 -4.027) 4.027 0.800 ( 0.000 0.000 3.262) 3.262 0.861 ( 0.000 0.000 -2.849) 2.849 1.036 ( 0.000 0.000 4.841) 4.841 1.088 ( 0.000 0.000 -0.304) 0.304 1.191 ( 0.000 0.000 2.772) 2.772 1.224 ( 0.000 0.000 1.537) 1.537 1.235 ( 0.000 0.000 0.275) 0.275 1.252 ( 0.000 0.000 -4.235) 4.235 1.397 ( 0.000 0.000 8.684) 8.684 1.533 ( 0.000 0.000 -4.047) 4.047 1.787 ( 0.000 0.000 5.708) 5.708 1.881 ( 0.000 0.000 -3.624) 3.624 1.907 ( 0.000 0.000 1.055) 1.055 1.927 ( 0.000 0.000 -1.036) 1.036 1.989 ( 0.000 0.000 1.220) 1.220 2.015 ( 0.000 0.000 -1.229) 1.229 2.251 ( 0.000 0.000 3.744) 3.744 2.260 ( 0.000 0.000 -0.079) 0.079 2.278 ( 0.000 0.000 -2.074) 2.074 2.324 ( 0.000 0.000 -3.721) 3.721 2.439 ( 0.000 0.000 1.202) 1.202 2.459 ( 0.000 0.000 -0.855) 0.855 2.494 ( 0.000 0.000 1.126) 1.126 2.522 ( 0.000 0.000 -1.655) 1.655 2.596 ( 0.000 0.000 0.248) 0.248 2.600 ( 0.000 0.000 -0.471) 0.471 2.711 ( 0.000 0.000 14.322) 14.322 2.811 ( 0.000 0.000 2.962) 2.962 2.854 ( 0.000 0.000 -1.298) 1.298 2.988 ( 0.000 0.000 -13.108) 13.108 3.347 ( 0.000 0.000 7.969) 7.969 3.512 ( 0.000 0.000 -8.296) 8.296 9.827 ( 0.000 0.000 -0.331) 0.331 9.835 ( 0.000 0.000 -1.233) 1.233 9.930 ( 0.000 0.000 0.418) 0.418 9.942 ( 0.000 0.000 -0.780) 0.780 10.013 ( 0.000 0.000 3.400) 3.400 10.087 ( 0.000 0.000 -4.000) 4.000 10.097 ( 0.000 0.000 0.889) 0.889 10.111 ( 0.000 0.000 -0.514) 0.514 14.644 ( 0.000 0.000 -0.150) 0.150 14.645 ( 0.000 0.000 0.355) 0.355 14.646 ( 0.000 0.000 0.285) 0.285 14.647 ( 0.000 0.000 -0.527) 0.527 14.772 ( 0.000 0.000 -0.275) 0.275 14.774 ( 0.000 0.000 -0.419) 0.419 14.777 ( 0.000 0.000 0.486) 0.486 14.784 ( 0.000 0.000 -0.206) 0.206 14.935 ( 0.000 0.000 0.381) 0.381 14.938 ( 0.000 0.000 0.099) 0.099 15.053 ( 0.000 0.000 0.949) 0.949 15.069 ( 0.000 0.000 -0.650) 0.650 22.221 ( 0.000 0.000 0.136) 0.136 22.223 ( 0.000 0.000 -0.106) 0.106 22.257 ( 0.000 0.000 0.159) 0.159 22.261 ( 0.000 0.000 -0.234) 0.234 29.496 ( 0.000 0.000 3.044) 3.044 29.547 ( 0.000 0.000 -1.424) 1.424 29.654 ( 0.000 0.000 3.542) 3.542 29.747 ( 0.000 0.000 -5.166) 5.166 30.642 ( 0.000 0.000 2.578) 2.578 30.668 ( 0.000 0.000 -0.071) 0.071 31.619 ( 0.000 0.000 0.995) 0.995 31.624 ( 0.000 0.000 -0.154) 0.154 32.001 ( 0.000 0.000 11.871) 11.871 32.235 ( 0.000 0.000 -11.058) 11.058 32.736 ( 0.000 0.000 16.227) 16.227 33.092 ( 0.000 0.000 -19.363) 19.363 ======================= Grid point 190 (62/80) ======================= q-point: ( 0.17 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.400 ( 5.686 0.000 5.106) 7.642 0.503 ( 3.732 0.000 -5.253) 6.444 0.679 ( 7.357 0.000 7.187) 10.285 0.784 ( -1.838 0.000 2.831) 3.376 0.790 ( 6.265 0.000 -3.666) 7.259 0.837 ( -2.583 0.000 -2.444) 3.556 1.038 ( -0.040 0.000 4.196) 4.196 1.085 ( -0.311 0.000 -0.456) 0.552 1.205 ( 1.461 0.000 2.823) 3.179 1.233 ( 0.818 0.000 1.317) 1.550 1.240 ( 0.457 0.000 0.490) 0.670 1.264 ( 0.943 0.000 -3.391) 3.520 1.416 ( 2.287 0.000 7.814) 8.142 1.535 ( 0.010 0.000 -3.088) 3.088 1.762 ( -2.302 0.000 3.221) 3.959 1.802 ( -7.075 0.000 -0.728) 7.113 1.907 ( 0.017 0.000 0.932) 0.932 1.925 ( -0.254 0.000 -0.904) 0.939 1.934 ( -5.253 0.000 2.336) 5.749 1.985 ( -3.524 0.000 -2.252) 4.182 2.248 ( -0.964 0.000 -0.005) 0.964 2.268 ( -0.933 0.000 -2.100) 2.298 2.268 ( 1.300 0.000 3.044) 3.310 2.335 ( 0.739 0.000 -3.619) 3.694 2.452 ( 0.457 0.000 0.849) 0.964 2.457 ( -0.063 0.000 0.187) 0.197 2.488 ( -0.465 0.000 0.425) 0.630 2.507 ( -5.603 0.000 3.112) 6.409 2.512 ( -0.733 0.000 -1.718) 1.868 2.530 ( -5.685 0.000 0.295) 5.692 2.822 ( 1.074 0.000 2.636) 2.847 2.825 ( 7.819 0.000 8.912) 11.856 2.859 ( 0.422 0.000 -1.005) 1.090 3.028 ( 2.957 0.000 -10.081) 10.506 3.375 ( 2.845 0.000 5.736) 6.403 3.517 ( 0.423 0.000 -7.794) 7.806 9.834 ( 0.911 0.000 0.045) 0.913 9.851 ( 1.568 0.000 -1.578) 2.225 9.935 ( 0.539 0.000 0.374) 0.656 9.946 ( 0.439 0.000 -0.741) 0.862 9.994 ( -1.888 0.000 3.274) 3.779 10.066 ( -2.142 0.000 -3.931) 4.477 10.094 ( -0.370 0.000 0.835) 0.913 10.106 ( -0.500 0.000 -0.456) 0.677 14.637 ( -0.609 0.000 -0.013) 0.609 14.641 ( -0.585 0.000 -0.483) 0.759 14.645 ( 0.011 0.000 0.354) 0.354 14.646 ( 0.004 0.000 0.292) 0.292 14.772 ( -0.025 0.000 -0.286) 0.287 14.774 ( -0.045 0.000 -0.413) 0.415 14.777 ( -0.053 0.000 0.467) 0.470 14.784 ( -0.132 0.000 -0.184) 0.226 14.939 ( 0.585 0.000 0.390) 0.703 14.946 ( 0.599 0.000 -0.266) 0.655 15.070 ( 1.827 0.000 1.263) 2.221 15.091 ( 2.082 0.000 -0.789) 2.226 22.220 ( -0.028 0.000 0.119) 0.122 22.222 ( -0.064 0.000 -0.088) 0.109 22.257 ( 0.014 0.000 0.128) 0.128 22.261 ( -0.038 0.000 -0.214) 0.217 29.504 ( 0.751 0.000 3.177) 3.265 29.553 ( 0.550 0.000 -0.907) 1.061 29.650 ( -0.260 0.000 2.726) 2.738 29.737 ( -1.090 0.000 -4.998) 5.115 30.654 ( 1.538 0.000 3.504) 3.827 30.697 ( 2.881 0.000 -0.764) 2.981 31.455 ( -15.074 0.000 3.981) 15.591 31.494 ( -11.187 0.000 -0.122) 11.187 32.032 ( 3.628 0.000 12.877) 13.378 32.255 ( 0.325 0.000 -8.280) 8.286 32.883 ( 12.870 0.000 6.638) 14.481 33.135 ( 3.999 0.000 -16.774) 17.244 ======================= Grid point 191 (63/80) ======================= q-point: ( 0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.521 ( 6.951 0.000 3.175) 7.642 0.589 ( 5.197 0.000 -3.526) 6.280 0.732 ( -3.796 0.000 2.148) 4.362 0.773 ( -4.163 0.000 -1.935) 4.591 0.835 ( 8.600 0.000 5.954) 10.460 0.930 ( 8.074 0.000 -3.539) 8.815 1.025 ( -1.606 0.000 3.988) 4.299 1.078 ( -0.568 0.000 -1.333) 1.449 1.238 ( 1.709 0.000 2.464) 2.998 1.248 ( 0.690 0.000 1.052) 1.258 1.250 ( 0.509 0.000 0.829) 0.973 1.275 ( 0.375 0.000 -0.551) 0.666 1.470 ( 2.290 0.000 3.917) 4.538 1.521 ( -1.591 0.000 -1.075) 1.920 1.671 ( -4.824 0.000 3.676) 6.065 1.738 ( -0.449 0.000 -2.251) 2.295 1.825 ( -5.650 0.000 4.542) 7.249 1.898 ( -5.347 0.000 -2.286) 5.815 1.908 ( 0.060 0.000 0.542) 0.545 1.918 ( -0.440 0.000 -0.540) 0.696 2.235 ( -0.308 0.000 -0.155) 0.345 2.250 ( -0.861 0.000 -1.685) 1.893 2.286 ( 0.796 0.000 2.636) 2.754 2.336 ( -0.839 0.000 -2.221) 2.374 2.431 ( -2.755 0.000 1.237) 3.020 2.433 ( -1.031 0.000 0.911) 1.376 2.438 ( -3.444 0.000 0.510) 3.482 2.453 ( -1.518 0.000 -1.024) 1.831 2.491 ( 1.100 0.000 0.699) 1.303 2.509 ( 0.197 0.000 -1.130) 1.147 2.844 ( 1.182 0.000 1.815) 2.166 2.865 ( 0.139 0.000 -0.242) 0.279 2.953 ( 5.850 0.000 5.497) 8.027 3.060 ( 0.196 0.000 -4.044) 4.049 3.438 ( 3.609 0.000 0.910) 3.722 3.519 ( -0.477 0.000 -6.121) 6.140 9.860 ( 1.831 0.000 0.801) 1.999 9.890 ( 2.583 0.000 -2.149) 3.360 9.947 ( 0.699 0.000 0.198) 0.727 9.952 ( -2.489 0.000 2.623) 3.616 9.955 ( 0.401 0.000 -0.562) 0.690 10.014 ( -3.318 0.000 -3.593) 4.891 10.086 ( -0.322 0.000 0.616) 0.695 10.095 ( -0.670 0.000 -0.243) 0.713 14.627 ( -0.375 0.000 0.036) 0.377 14.630 ( -0.503 0.000 -0.323) 0.598 14.645 ( 0.015 0.000 0.347) 0.347 14.646 ( -0.000 0.000 0.309) 0.309 14.772 ( -0.016 0.000 -0.318) 0.318 14.773 ( -0.054 0.000 -0.392) 0.396 14.775 ( -0.137 0.000 0.333) 0.360 14.779 ( -0.337 0.000 -0.046) 0.340 14.952 ( 0.598 0.000 0.049) 0.600 14.955 ( 0.384 0.000 -0.324) 0.503 15.111 ( 2.195 0.000 1.333) 2.568 15.128 ( 1.570 0.000 -0.444) 1.632 22.220 ( -0.013 0.000 0.076) 0.077 22.221 ( -0.072 0.000 -0.044) 0.084 22.258 ( 0.031 0.000 0.045) 0.055 22.260 ( -0.063 0.000 -0.153) 0.166 29.523 ( 1.270 0.000 3.406) 3.635 29.560 ( -0.115 0.000 1.267) 1.273 29.651 ( 0.608 0.000 -0.233) 0.652 29.709 ( -1.813 0.000 -4.439) 4.795 30.702 ( 3.629 0.000 4.890) 6.090 30.761 ( 3.340 0.000 -0.831) 3.442 31.195 ( -10.880 0.000 6.996) 12.935 31.278 ( -11.268 0.000 -1.445) 11.360 32.108 ( 4.237 0.000 9.169) 10.101 32.235 ( -2.225 0.000 -2.454) 3.312 33.102 ( 9.461 0.000 -3.184) 9.982 33.205 ( 2.768 0.000 -12.101) 12.414 ======================= Grid point 192 (64/80) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( -5.163 0.000 1.796) 5.466 0.639 ( 5.163 0.000 1.796) 5.466 0.690 ( -4.437 0.000 -1.899) 4.826 0.690 ( 4.437 0.000 -1.899) 4.826 0.965 ( -5.026 0.000 4.944) 7.050 0.965 ( 5.026 0.000 4.944) 7.050 1.048 ( -3.571 0.000 -3.168) 4.773 1.048 ( 3.571 0.000 -3.168) 4.773 1.255 ( -0.022 0.000 0.970) 0.970 1.255 ( 0.022 0.000 0.970) 0.970 1.266 ( -1.584 0.000 1.854) 2.439 1.266 ( 1.584 0.000 1.854) 2.439 1.485 ( -1.558 0.000 0.424) 1.615 1.485 ( 1.558 0.000 0.424) 1.615 1.685 ( -4.766 0.000 3.397) 5.852 1.685 ( 4.766 0.000 3.397) 5.852 1.810 ( -3.675 0.000 -0.951) 3.796 1.810 ( 3.675 0.000 -0.951) 3.796 1.911 ( -0.291 0.000 -0.019) 0.292 1.911 ( 0.291 0.000 -0.019) 0.292 2.238 ( -0.486 0.000 -0.783) 0.922 2.238 ( 0.486 0.000 -0.783) 0.922 2.308 ( -1.691 0.000 1.558) 2.299 2.308 ( 1.691 0.000 1.558) 2.299 2.408 ( -0.243 0.000 -0.611) 0.658 2.408 ( 0.243 0.000 -0.611) 0.658 2.429 ( -0.677 0.000 -0.162) 0.696 2.429 ( 0.677 0.000 -0.162) 0.696 2.508 ( -0.515 0.000 -0.242) 0.569 2.508 ( 0.515 0.000 -0.242) 0.569 2.861 ( -0.584 0.000 0.774) 0.969 2.861 ( 0.584 0.000 0.774) 0.969 3.034 ( -2.952 0.000 1.342) 3.243 3.034 ( 2.952 0.000 1.342) 3.243 3.494 ( -2.267 0.000 -3.218) 3.936 3.494 ( 2.267 0.000 -3.218) 3.936 9.899 ( -2.243 0.000 1.538) 2.719 9.899 ( 2.243 0.000 1.538) 2.719 9.952 ( -3.182 0.000 -2.741) 4.200 9.952 ( 3.182 0.000 -2.741) 4.200 9.957 ( -0.232 0.000 -0.173) 0.289 9.957 ( 0.232 0.000 -0.173) 0.289 10.085 ( -0.260 0.000 0.176) 0.314 10.085 ( 0.260 0.000 0.176) 0.314 14.624 ( -0.093 0.000 -0.111) 0.145 14.624 ( 0.093 0.000 -0.111) 0.145 14.646 ( -0.010 0.000 0.330) 0.331 14.646 ( 0.010 0.000 0.330) 0.331 14.772 ( -0.023 0.000 -0.358) 0.358 14.772 ( 0.023 0.000 -0.358) 0.358 14.774 ( -0.111 0.000 0.134) 0.174 14.774 ( 0.111 0.000 0.134) 0.174 14.958 ( -0.088 0.000 -0.189) 0.208 14.958 ( 0.088 0.000 -0.189) 0.208 15.138 ( -0.577 0.000 0.569) 0.810 15.138 ( 0.577 0.000 0.569) 0.810 22.220 ( -0.035 0.000 0.017) 0.039 22.220 ( 0.035 0.000 0.017) 0.039 22.259 ( -0.056 0.000 -0.060) 0.082 22.259 ( 0.056 0.000 -0.060) 0.082 29.547 ( -1.186 0.000 3.166) 3.381 29.547 ( 1.186 0.000 3.166) 3.381 29.675 ( -1.771 0.000 -3.164) 3.626 29.675 ( 1.771 0.000 -3.164) 3.626 30.772 ( -2.804 0.000 3.679) 4.625 30.772 ( 2.804 0.000 3.679) 4.625 31.124 ( -3.798 0.000 1.338) 4.027 31.124 ( 3.798 0.000 1.338) 4.027 32.181 ( -3.557 0.000 3.554) 5.028 32.181 ( 3.557 0.000 3.554) 5.028 33.211 ( -2.526 0.000 -8.070) 8.456 33.211 ( 2.526 0.000 -8.070) 8.456 ======================= Grid point 196 (65/80) ======================= q-point: ( 0.00 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.478 ( 0.000 10.420 4.309) 11.275 0.561 ( 0.000 7.273 -3.824) 8.217 0.634 ( 0.000 3.015 6.179) 6.875 0.716 ( 0.000 -1.111 -1.268) 1.686 0.795 ( 0.000 -0.024 2.724) 2.724 0.862 ( 0.000 0.188 -3.646) 3.650 1.038 ( 0.000 0.321 3.187) 3.203 1.068 ( 0.000 -1.790 0.462) 1.848 1.121 ( 0.000 -2.094 0.335) 2.120 1.146 ( 0.000 -3.233 -2.412) 4.033 1.360 ( 0.000 8.104 2.589) 8.508 1.361 ( 0.000 4.951 0.106) 4.952 1.418 ( 0.000 2.101 7.356) 7.650 1.553 ( 0.000 2.490 -3.995) 4.707 1.736 ( 0.000 -4.844 4.845) 6.851 1.809 ( 0.000 -5.420 -2.837) 6.118 1.826 ( 0.000 -5.108 2.447) 5.664 1.885 ( 0.000 -3.918 -3.262) 5.098 2.030 ( 0.000 0.820 1.003) 1.295 2.038 ( 0.000 0.058 0.335) 0.340 2.165 ( 0.000 -2.752 2.145) 3.489 2.218 ( 0.000 -2.393 -3.426) 4.179 2.344 ( 0.000 3.635 1.302) 3.861 2.368 ( 0.000 2.006 -1.052) 2.265 2.449 ( 0.000 1.078 0.326) 1.126 2.461 ( 0.000 0.373 -0.701) 0.794 2.495 ( 0.000 0.311 1.251) 1.289 2.520 ( 0.000 0.172 -1.075) 1.088 2.610 ( 0.000 0.997 0.612) 1.170 2.617 ( 0.000 1.307 -0.469) 1.389 2.776 ( 0.000 2.837 7.041) 7.591 2.821 ( 0.000 3.369 7.752) 8.452 2.832 ( 0.000 -1.738 -1.251) 2.142 3.049 ( 0.000 4.501 -11.806) 12.634 3.306 ( 0.000 -3.736 7.470) 8.352 3.458 ( 0.000 -4.903 -7.455) 8.923 9.828 ( 0.000 0.140 -0.295) 0.327 9.835 ( 0.000 0.008 -1.016) 1.016 9.962 ( 0.000 2.124 0.530) 2.189 9.972 ( 0.000 2.409 -0.603) 2.483 9.994 ( 0.000 -0.972 2.648) 2.820 10.060 ( 0.000 -2.433 -3.575) 4.324 10.100 ( 0.000 0.541 0.239) 0.591 10.105 ( 0.000 -0.271 -0.205) 0.340 14.630 ( 0.000 -0.894 0.534) 1.042 14.635 ( 0.000 -0.809 0.187) 0.831 14.647 ( 0.000 0.052 -0.345) 0.349 14.653 ( 0.000 0.536 -0.616) 0.817 14.774 ( 0.000 0.098 -0.247) 0.266 14.775 ( 0.000 0.156 -0.373) 0.404 14.795 ( 0.000 1.361 0.348) 1.405 14.800 ( 0.000 1.161 -0.066) 1.163 14.939 ( 0.000 0.364 0.364) 0.515 14.941 ( 0.000 0.335 0.110) 0.353 15.040 ( 0.000 -1.213 0.931) 1.529 15.055 ( 0.000 -1.290 -0.585) 1.416 22.219 ( 0.000 -0.131 0.163) 0.209 22.222 ( 0.000 -0.055 -0.142) 0.153 22.255 ( 0.000 -0.247 0.116) 0.272 22.258 ( 0.000 -0.339 -0.194) 0.390 29.555 ( 0.000 5.272 1.608) 5.512 29.582 ( 0.000 2.869 0.142) 2.872 29.686 ( 0.000 3.363 1.110) 3.541 29.752 ( 0.000 0.436 -4.431) 4.453 30.635 ( 0.000 -0.629 2.702) 2.774 30.665 ( 0.000 -0.286 -0.279) 0.400 31.622 ( 0.000 -0.067 0.380) 0.386 31.628 ( 0.000 0.923 0.529) 1.063 31.997 ( 0.000 -0.453 12.384) 12.392 32.225 ( 0.000 -0.922 -9.836) 9.879 32.702 ( 0.000 -3.039 15.005) 15.310 33.033 ( 0.000 -5.540 -18.053) 18.884 ======================= Grid point 197 (66/80) ======================= q-point: ( 0.17 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.482 ( 0.633 6.740 4.486) 8.121 0.571 ( 0.534 5.284 -4.478) 6.947 0.681 ( 3.899 -0.508 5.320) 6.615 0.748 ( 3.061 -2.171 -0.330) 3.767 0.794 ( 0.129 1.382 2.016) 2.448 0.862 ( 0.913 1.626 -3.717) 4.158 1.038 ( -0.361 -0.101 2.632) 2.659 1.062 ( -0.570 -2.165 0.287) 2.257 1.130 ( 0.746 -2.375 0.685) 2.582 1.154 ( 1.450 -2.359 -1.210) 3.022 1.369 ( 0.361 6.314 1.678) 6.543 1.376 ( 1.545 6.227 0.979) 6.490 1.435 ( 1.645 1.967 6.449) 6.941 1.549 ( -0.493 1.854 -3.107) 3.651 1.720 ( -1.602 -3.868 2.296) 4.775 1.750 ( -5.103 -4.318 -0.187) 6.687 1.819 ( -1.307 -4.730 1.659) 5.180 1.865 ( -1.756 -3.961 -2.160) 4.842 1.986 ( -3.205 0.926 2.101) 3.943 2.018 ( -2.015 0.391 -0.722) 2.176 2.197 ( 2.317 -2.160 0.988) 3.318 2.234 ( 1.212 -2.331 -2.857) 3.882 2.317 ( -2.114 3.123 1.532) 4.071 2.354 ( -1.755 2.059 -2.069) 3.406 2.414 ( -3.638 -1.216 1.976) 4.315 2.447 ( -2.805 -0.157 -1.172) 3.044 2.497 ( 1.243 1.593 0.832) 2.185 2.513 ( 1.034 2.350 -0.786) 2.685 2.605 ( -0.422 4.172 0.997) 4.311 2.616 ( -0.650 4.087 -0.164) 4.142 2.781 ( 0.202 -0.694 4.270) 4.330 2.828 ( -0.212 -1.601 -0.342) 1.651 2.888 ( 5.651 3.192 6.831) 9.423 3.064 ( 1.338 2.703 -8.737) 9.243 3.333 ( 2.652 -3.962 5.201) 7.055 3.462 ( 0.352 -5.087 -6.947) 8.618 9.835 ( 0.755 0.045 -0.069) 0.760 9.846 ( 1.170 -0.295 -1.201) 1.702 9.959 ( -0.640 0.144 1.352) 1.502 9.973 ( -0.025 2.157 -0.437) 2.201 9.984 ( -0.583 0.928 1.304) 1.703 10.037 ( -2.121 -2.234 -3.166) 4.417 10.102 ( 0.194 0.894 0.467) 1.027 10.111 ( 0.299 0.354 -0.621) 0.775 14.626 ( -0.348 -1.131 0.493) 1.282 14.631 ( -0.448 -1.070 0.205) 1.178 14.641 ( -0.608 0.107 -0.330) 0.700 14.645 ( -0.648 0.287 -0.473) 0.852 14.772 ( -0.126 -0.012 -0.112) 0.170 14.775 ( -0.069 0.140 -0.351) 0.384 14.795 ( 0.019 1.348 0.392) 1.404 14.801 ( -0.002 1.263 -0.141) 1.271 14.942 ( 0.465 0.276 0.372) 0.656 14.948 ( 0.484 0.204 -0.215) 0.568 15.057 ( 1.753 -1.280 1.227) 2.493 15.076 ( 1.955 -1.404 -0.679) 2.501 22.219 ( -0.022 -0.127 0.139) 0.190 22.222 ( -0.073 -0.065 -0.119) 0.154 22.255 ( -0.006 -0.265 0.090) 0.280 22.257 ( -0.045 -0.345 -0.180) 0.391 29.559 ( 0.439 4.982 1.658) 5.269 29.583 ( 0.119 2.596 0.451) 2.637 29.688 ( 0.245 3.693 0.511) 3.736 29.746 ( -0.606 0.887 -4.240) 4.374 30.655 ( 2.309 0.092 3.661) 4.329 30.701 ( 3.647 0.357 -0.919) 3.778 31.480 ( -13.815 2.308 3.610) 14.465 31.512 ( -10.129 1.863 0.363) 10.305 32.023 ( 3.097 -0.957 12.736) 13.142 32.241 ( 0.228 -1.331 -8.115) 8.226 32.821 ( 10.694 -5.710 7.415) 14.211 33.066 ( 3.115 -6.447 -15.825) 17.369 ======================= Grid point 198 (67/80) ======================= q-point: ( 0.33 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.507 ( 2.232 -1.609 3.645) 4.567 0.580 ( 0.212 -2.786 -3.101) 4.174 0.701 ( -0.770 -0.628 1.988) 2.223 0.759 ( -2.490 -0.050 -3.050) 3.937 0.858 ( 6.232 1.265 4.454) 7.764 0.935 ( 5.914 0.256 -3.213) 6.735 1.015 ( -2.065 -1.085 2.902) 3.723 1.050 ( -0.827 -2.360 -0.696) 2.596 1.152 ( 2.374 -2.200 3.517) 4.780 1.213 ( 4.744 -0.063 -1.821) 5.082 1.344 ( -3.865 2.885 3.280) 5.833 1.389 ( -1.448 6.231 -1.103) 6.491 1.472 ( 2.416 0.771 4.618) 5.269 1.542 ( -0.079 2.223 -2.024) 3.007 1.647 ( -3.704 -1.913 2.799) 5.022 1.700 ( -1.904 -3.109 -2.122) 4.218 1.788 ( -1.240 -2.065 3.670) 4.389 1.829 ( -2.040 -3.357 -0.808) 4.010 1.945 ( -1.057 1.025 1.836) 2.353 1.977 ( -2.179 1.412 -0.921) 2.755 2.228 ( 1.071 -0.871 0.052) 1.381 2.251 ( 0.458 -1.284 -2.339) 2.707 2.278 ( -1.875 0.372 1.651) 2.526 2.308 ( -2.935 -0.862 -1.306) 3.326 2.366 ( -0.729 -0.229 1.338) 1.541 2.399 ( -1.978 0.259 -1.552) 2.527 2.519 ( 0.722 4.784 0.883) 4.918 2.533 ( 0.370 5.442 -0.521) 5.479 2.598 ( -0.085 5.917 0.720) 5.961 2.603 ( -0.300 6.923 0.329) 6.937 2.784 ( 0.306 -3.749 2.162) 4.338 2.815 ( -1.055 -2.964 -0.567) 3.197 2.992 ( 5.073 2.129 4.949) 7.400 3.082 ( 0.177 1.245 -2.884) 3.146 3.391 ( 3.275 -4.585 0.830) 5.695 3.463 ( -0.425 -5.289 -5.387) 7.561 9.855 ( 1.461 -0.361 0.460) 1.574 9.876 ( 1.925 -1.037 -1.485) 2.643 9.932 ( -1.894 -1.367 1.863) 2.988 9.966 ( -1.093 0.271 -0.970) 1.486 9.984 ( 0.239 2.165 -0.324) 2.202 9.997 ( -1.578 0.090 -1.954) 2.513 10.105 ( 0.189 1.667 0.329) 1.709 10.113 ( -0.117 1.368 -0.494) 1.459 14.620 ( -0.319 -1.356 0.429) 1.457 14.622 ( -0.382 -1.648 0.382) 1.734 14.630 ( -0.420 0.074 -0.312) 0.528 14.634 ( -0.481 -0.136 -0.438) 0.665 14.771 ( -0.005 -0.047 -0.051) 0.069 14.773 ( -0.099 0.102 -0.244) 0.283 14.795 ( -0.041 1.420 0.241) 1.441 14.798 ( -0.228 1.363 -0.053) 1.383 14.952 ( 0.439 -0.004 0.087) 0.447 14.955 ( 0.253 -0.029 -0.266) 0.369 15.095 ( 2.072 -1.455 1.282) 2.838 15.111 ( 1.483 -1.614 -0.309) 2.213 22.219 ( -0.005 -0.118 0.082) 0.144 22.220 ( -0.082 -0.086 -0.062) 0.134 22.255 ( 0.006 -0.306 0.022) 0.307 22.256 ( -0.065 -0.352 -0.136) 0.383 29.569 ( 0.622 4.130 1.762) 4.533 29.584 ( -0.078 2.360 1.175) 2.637 29.696 ( 0.648 4.035 -1.000) 4.207 29.731 ( -0.993 2.063 -3.649) 4.308 30.722 ( 4.968 2.041 5.149) 7.440 30.786 ( 4.854 2.378 -1.096) 5.515 31.227 ( -11.531 3.151 6.987) 13.846 31.304 ( -11.410 2.599 -0.834) 11.732 32.093 ( 4.154 -1.455 8.991) 10.010 32.221 ( -2.233 -1.308 -2.759) 3.783 33.010 ( 8.516 -8.701 -1.838) 12.313 33.119 ( 1.863 -8.211 -11.533) 14.279 ======================= Grid point 199 (68/80) ======================= q-point: (-0.50 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.558 ( -2.669 -7.332 1.300) 7.910 0.558 ( 2.669 -7.332 1.300) 7.910 0.709 ( -2.102 2.017 -2.025) 3.548 0.709 ( 2.102 2.017 -2.025) 3.548 0.955 ( -3.987 -0.979 3.474) 5.378 0.955 ( 3.987 -0.979 3.474) 5.378 1.023 ( -2.512 -1.882 -2.196) 3.831 1.023 ( 2.512 -1.882 -2.196) 3.831 1.237 ( -6.483 -0.116 4.871) 8.110 1.237 ( 6.483 -0.116 4.871) 8.110 1.314 ( -5.711 2.398 -2.419) 6.650 1.314 ( 5.711 2.398 -2.419) 6.650 1.519 ( -2.384 2.831 1.114) 3.865 1.519 ( 2.384 2.831 1.114) 3.865 1.649 ( -2.904 -2.319 1.129) 3.884 1.649 ( 2.904 -2.319 1.129) 3.884 1.794 ( -1.562 -1.189 1.091) 2.245 1.794 ( 1.562 -1.189 1.091) 2.245 1.946 ( -1.033 1.231 0.298) 1.635 1.946 ( 1.033 1.231 0.298) 1.635 2.243 ( -0.800 0.316 -0.416) 0.956 2.243 ( 0.800 0.316 -0.416) 0.956 2.270 ( -0.994 -2.225 -0.033) 2.437 2.270 ( 0.994 -2.225 -0.033) 2.437 2.373 ( -1.003 0.098 -0.681) 1.216 2.373 ( 1.003 0.098 -0.681) 1.216 2.528 ( -0.503 7.080 0.236) 7.102 2.528 ( 0.503 7.080 0.236) 7.102 2.601 ( -0.201 6.999 0.544) 7.023 2.601 ( 0.201 6.999 0.544) 7.023 2.795 ( -0.932 -4.683 0.377) 4.790 2.795 ( 0.932 -4.683 0.377) 4.790 3.062 ( -2.430 1.410 1.768) 3.319 3.062 ( 2.430 1.410 1.768) 3.319 3.441 ( -2.044 -5.119 -2.807) 6.185 3.441 ( 2.044 -5.119 -2.807) 6.185 9.886 ( -1.580 -1.137 0.903) 2.146 9.886 ( 1.580 -1.137 0.903) 2.146 9.928 ( -2.207 -1.338 -1.670) 3.074 9.928 ( 2.207 -1.338 -1.670) 3.074 9.987 ( -0.110 2.108 -0.498) 2.169 9.987 ( 0.110 2.108 -0.498) 2.169 10.109 ( -0.232 1.944 -0.076) 1.959 10.109 ( 0.232 1.944 -0.076) 1.959 14.617 ( -0.095 -1.600 0.479) 1.673 14.617 ( 0.095 -1.600 0.479) 1.673 14.628 ( -0.142 -0.218 -0.424) 0.497 14.628 ( 0.142 -0.218 -0.424) 0.497 14.771 ( -0.077 0.031 -0.114) 0.141 14.771 ( 0.077 0.031 -0.114) 0.141 14.795 ( -0.092 1.438 0.062) 1.442 14.795 ( 0.092 1.438 0.062) 1.442 14.957 ( -0.087 -0.147 -0.132) 0.216 14.957 ( 0.087 -0.147 -0.132) 0.216 15.121 ( -0.513 -1.638 0.605) 1.820 15.121 ( 0.513 -1.638 0.605) 1.820 22.219 ( -0.043 -0.104 0.010) 0.113 22.219 ( 0.043 -0.104 0.010) 0.113 22.255 ( -0.042 -0.341 -0.063) 0.350 22.255 ( 0.042 -0.341 -0.063) 0.350 29.579 ( -0.452 2.997 1.698) 3.474 29.579 ( 0.452 2.997 1.698) 3.474 29.712 ( -1.001 3.402 -2.576) 4.383 29.712 ( 1.001 3.402 -2.576) 4.383 30.814 ( -3.292 4.199 3.732) 6.511 30.814 ( 3.292 4.199 3.732) 6.511 31.143 ( -3.931 1.815 1.753) 4.671 31.143 ( 3.931 1.815 1.753) 4.671 32.166 ( -3.628 -1.374 3.334) 5.115 32.166 ( 3.628 -1.374 3.334) 5.115 33.114 ( -2.768 -9.323 -7.261) 12.136 33.114 ( 2.768 -9.323 -7.261) 12.136 ======================= Grid point 203 (69/80) ======================= q-point: ( 0.00 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( 0.000 2.354 5.197) 5.705 0.672 ( 0.000 4.135 0.993) 4.252 0.712 ( 0.000 3.009 0.376) 3.032 0.714 ( 0.000 2.620 -0.405) 2.651 0.829 ( 0.000 3.466 1.250) 3.684 0.871 ( 0.000 0.029 -3.206) 3.206 1.038 ( 0.000 -0.125 0.627) 0.639 1.042 ( 0.000 0.184 0.699) 0.723 1.119 ( 0.000 1.405 -0.921) 1.680 1.130 ( 0.000 1.379 -1.899) 2.347 1.424 ( 0.000 1.962 3.104) 3.672 1.477 ( 0.000 3.946 0.709) 4.009 1.507 ( 0.000 4.696 5.444) 7.190 1.618 ( 0.000 -5.290 4.117) 6.704 1.631 ( 0.000 2.603 -4.205) 4.946 1.686 ( 0.000 -5.314 -2.739) 5.979 1.743 ( 0.000 -2.727 3.434) 4.385 1.810 ( 0.000 -2.687 -3.174) 4.159 1.997 ( 0.000 -2.534 1.767) 3.089 2.012 ( 0.000 -1.346 0.175) 1.357 2.164 ( 0.000 1.525 1.918) 2.450 2.210 ( 0.000 0.893 -2.893) 3.028 2.397 ( 0.000 1.639 1.172) 2.015 2.401 ( 0.000 1.607 0.621) 1.723 2.458 ( 0.000 -0.687 0.189) 0.712 2.470 ( 0.000 0.309 -1.066) 1.110 2.518 ( 0.000 1.522 0.971) 1.805 2.528 ( 0.000 0.032 0.277) 0.279 2.619 ( 0.000 -0.221 0.564) 0.606 2.632 ( 0.000 -0.344 -0.803) 0.873 2.794 ( 0.000 1.122 0.369) 1.181 2.806 ( 0.000 -0.290 -0.549) 0.620 2.933 ( 0.000 4.850 9.148) 10.354 3.101 ( 0.000 -0.555 -7.486) 7.507 3.225 ( 0.000 -3.330 6.735) 7.513 3.357 ( 0.000 -3.880 -6.201) 7.314 9.832 ( 0.000 0.210 -0.260) 0.334 9.836 ( 0.000 0.108 -0.739) 0.747 9.936 ( 0.000 -2.472 2.305) 3.380 9.991 ( 0.000 -2.028 -2.420) 3.157 10.006 ( 0.000 -1.599 -0.553) 1.692 10.017 ( 0.000 0.022 -0.916) 0.916 10.137 ( 0.000 4.340 0.509) 4.370 10.149 ( 0.000 4.546 -0.645) 4.592 14.616 ( 0.000 -0.450 0.436) 0.626 14.622 ( 0.000 -0.435 -0.120) 0.451 14.651 ( 0.000 0.328 0.296) 0.442 14.666 ( 0.000 0.779 -1.015) 1.279 14.774 ( 0.000 -0.127 -0.188) 0.227 14.779 ( 0.000 0.168 -0.577) 0.601 14.818 ( 0.000 0.792 0.291) 0.844 14.819 ( 0.000 0.622 0.215) 0.658 14.947 ( 0.000 0.350 0.276) 0.446 14.948 ( 0.000 0.284 0.115) 0.307 15.008 ( 0.000 -1.800 0.901) 2.013 15.021 ( 0.000 -1.924 -0.406) 1.966 22.217 ( 0.000 -0.073 0.246) 0.257 22.222 ( 0.000 0.050 -0.241) 0.246 22.248 ( 0.000 -0.358 -0.003) 0.358 22.249 ( 0.000 -0.519 -0.081) 0.525 29.638 ( 0.000 2.509 2.331) 3.425 29.674 ( 0.000 5.732 -1.723) 5.985 29.765 ( 0.000 1.194 -1.871) 2.220 29.781 ( 0.000 5.490 -3.292) 6.402 30.619 ( 0.000 -0.829 3.034) 3.145 30.656 ( 0.000 -0.665 -0.458) 0.807 31.626 ( 0.000 0.521 1.784) 1.858 31.658 ( 0.000 2.093 -0.795) 2.238 31.976 ( 0.000 -1.900 13.137) 13.274 32.192 ( 0.000 -2.724 -7.690) 8.158 32.638 ( 0.000 -2.589 11.997) 12.274 32.898 ( 0.000 -7.059 -14.052) 15.726 ======================= Grid point 204 (70/80) ======================= q-point: ( 0.17 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( -7.517 2.186 2.518) 8.223 0.629 ( -3.645 2.590 3.740) 5.830 0.683 ( 1.513 2.105 -0.837) 2.725 0.750 ( 3.378 1.937 -2.739) 4.761 0.841 ( 0.774 2.632 2.055) 3.428 0.887 ( 1.565 -0.042 -2.017) 2.553 1.028 ( -0.896 -0.275 0.309) 0.987 1.032 ( -1.563 0.228 -0.118) 1.584 1.115 ( 0.645 0.760 1.825) 2.079 1.156 ( 2.628 1.530 -2.434) 3.895 1.409 ( -1.569 -0.246 4.439) 4.715 1.484 ( 0.282 2.373 -0.815) 2.525 1.518 ( 0.655 5.602 4.390) 7.147 1.593 ( -1.166 -0.866 -0.298) 1.483 1.643 ( -1.179 -3.541 -0.462) 3.761 1.665 ( -0.591 -0.836 -0.896) 1.361 1.741 ( -0.214 -2.804 2.588) 3.822 1.792 ( -1.638 -2.632 -2.026) 3.704 1.976 ( -2.717 -1.406 0.870) 3.180 1.981 ( -1.648 -2.705 0.664) 3.237 2.183 ( 1.246 0.098 0.689) 1.427 2.206 ( -0.181 -0.299 -1.828) 1.861 2.371 ( -2.797 1.414 1.782) 3.605 2.399 ( -1.460 1.734 -1.278) 2.602 2.426 ( -2.599 2.328 2.003) 4.023 2.466 ( -0.798 2.196 -1.847) 2.978 2.538 ( 3.172 2.090 1.388) 4.044 2.561 ( 3.687 1.889 -0.693) 4.200 2.623 ( 0.793 -1.184 0.835) 1.652 2.639 ( 0.704 -1.411 -0.867) 1.800 2.815 ( 0.954 2.848 0.920) 3.141 2.826 ( 1.670 1.468 0.021) 2.224 2.955 ( 2.487 3.145 7.805) 8.774 3.099 ( -0.296 -0.063 -5.571) 5.579 3.236 ( 1.209 -4.936 4.799) 6.990 3.348 ( -0.846 -5.062 -5.582) 7.583 9.836 ( 0.474 0.082 -0.206) 0.523 9.842 ( 0.594 -0.131 -0.780) 0.989 9.925 ( -1.060 -2.098 1.851) 2.991 9.970 ( -1.863 -2.681 -2.517) 4.122 10.011 ( 0.760 0.262 0.625) 1.019 10.032 ( 0.784 0.700 -1.602) 1.916 10.139 ( 0.182 3.430 0.403) 3.458 10.149 ( 0.055 3.965 -0.633) 4.015 14.607 ( -0.782 -0.596 0.433) 1.074 14.614 ( -0.819 -0.489 -0.162) 0.968 14.644 ( -0.606 0.265 0.132) 0.674 14.655 ( -0.978 0.663 -0.792) 1.423 14.770 ( -0.202 -0.127 0.077) 0.251 14.778 ( -0.097 0.167 -0.576) 0.608 14.818 ( 0.020 0.759 0.370) 0.844 14.821 ( 0.019 0.575 0.072) 0.580 14.948 ( 0.146 0.189 0.294) 0.379 14.951 ( 0.171 0.057 -0.080) 0.198 15.024 ( 1.584 -1.886 1.137) 2.713 15.040 ( 1.680 -2.068 -0.436) 2.700 22.217 ( -0.019 -0.075 0.207) 0.220 22.221 ( -0.104 0.031 -0.204) 0.231 22.248 ( -0.052 -0.395 -0.015) 0.399 22.248 ( -0.052 -0.508 -0.082) 0.518 29.639 ( 0.173 2.851 1.836) 3.395 29.671 ( -0.333 5.321 -1.718) 5.601 29.767 ( 0.328 2.151 -1.552) 2.673 29.787 ( 0.443 4.770 -3.304) 5.820 30.659 ( 4.391 0.376 3.967) 5.930 30.708 ( 5.467 0.251 -0.825) 5.535 31.536 ( -9.739 3.142 3.684) 10.877 31.573 ( -8.231 4.146 0.440) 9.227 31.992 ( 2.152 -2.311 12.182) 12.585 32.201 ( 0.330 -2.938 -7.958) 8.489 32.688 ( 4.810 -6.634 8.537) 11.833 32.905 ( 0.527 -8.805 -12.840) 15.578 ======================= Grid point 205 (71/80) ======================= q-point: ( 0.33 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.458 ( -6.841 -2.712 3.084) 7.980 0.517 ( -7.119 -0.760 -1.479) 7.311 0.727 ( 1.930 2.279 0.038) 2.986 0.781 ( -0.787 1.733 -4.134) 4.551 0.878 ( 3.415 0.826 3.322) 4.835 0.929 ( 2.872 -1.209 -1.463) 3.443 0.988 ( -2.458 -1.297 1.966) 3.404 1.011 ( -1.028 -0.796 -1.122) 1.717 1.155 ( 3.705 1.798 3.781) 5.590 1.229 ( 5.298 1.082 -3.223) 6.295 1.353 ( -4.731 -1.038 5.772) 7.535 1.454 ( -4.296 0.354 -3.475) 5.537 1.531 ( 1.304 4.079 3.946) 5.823 1.586 ( 0.494 0.764 -1.241) 1.539 1.616 ( -0.774 -0.777 1.259) 1.669 1.655 ( -1.272 -0.446 -2.292) 2.659 1.742 ( 0.465 -2.607 3.315) 4.243 1.767 ( -0.885 -2.686 0.504) 2.872 1.933 ( -1.642 -1.820 0.784) 2.574 1.948 ( -1.848 -3.694 -0.481) 4.158 2.196 ( 0.609 -2.231 0.445) 2.355 2.213 ( 0.727 -0.873 -1.128) 1.601 2.307 ( -3.564 1.642 1.618) 4.244 2.324 ( -4.206 2.307 -0.231) 4.803 2.425 ( 0.771 4.716 0.208) 4.784 2.452 ( -0.669 4.292 -2.112) 4.830 2.591 ( 1.651 -0.802 1.142) 2.162 2.612 ( 0.685 -0.124 -0.840) 1.091 2.672 ( 3.646 3.236 0.714) 4.927 2.679 ( 5.375 3.938 0.018) 6.663 2.806 ( -1.895 6.063 2.647) 6.882 2.836 ( -1.196 4.475 -0.340) 4.644 3.014 ( 3.305 -0.011 4.746) 5.783 3.088 ( -0.915 -0.686 -1.376) 1.789 3.267 ( 2.013 -7.346 1.009) 7.683 3.329 ( -1.215 -7.312 -4.007) 8.426 9.848 ( 0.790 -0.340 -0.027) 0.861 9.856 ( 0.861 -0.812 -0.799) 1.428 9.905 ( -0.909 -1.264 0.928) 1.813 9.934 ( -1.933 -2.075 -1.866) 3.394 10.026 ( 0.762 1.698 0.273) 1.881 10.040 ( 0.115 2.436 -1.170) 2.704 10.144 ( 0.269 1.972 0.081) 1.992 10.150 ( -0.028 2.686 -0.540) 2.740 14.593 ( -0.663 -0.883 0.310) 1.146 14.596 ( -0.877 -0.734 -0.021) 1.143 14.634 ( -0.448 0.198 -0.093) 0.499 14.639 ( -0.726 0.377 -0.485) 0.951 14.769 ( 0.071 -0.062 0.158) 0.184 14.775 ( -0.165 0.140 -0.393) 0.449 14.817 ( -0.046 0.689 0.228) 0.727 14.819 ( -0.161 0.560 0.096) 0.590 14.951 ( 0.147 -0.081 0.149) 0.224 14.953 ( 0.035 -0.152 -0.103) 0.187 15.057 ( 1.745 -2.216 1.138) 3.042 15.069 ( 1.249 -2.412 -0.067) 2.717 22.216 ( 0.007 -0.072 0.109) 0.131 22.219 ( -0.121 -0.012 -0.117) 0.168 22.247 ( -0.052 -0.452 -0.041) 0.456 22.247 ( -0.060 -0.504 -0.081) 0.514 29.644 ( 0.356 3.488 0.729) 3.581 29.663 ( -0.560 4.617 -1.336) 4.839 29.777 ( 0.676 3.081 -1.543) 3.512 29.792 ( 0.084 4.166 -2.934) 5.096 30.780 ( 8.553 3.568 5.528) 10.791 30.845 ( 8.757 3.183 -0.894) 9.360 31.315 ( -12.605 5.436 6.753) 15.298 31.380 ( -12.031 4.805 0.418) 12.962 32.055 ( 4.341 -2.243 8.430) 9.743 32.189 ( -1.833 -1.834 -3.858) 4.648 32.787 ( 5.356 -12.619 1.124) 13.755 32.906 ( -0.799 -12.260 -9.873) 15.761 ======================= Grid point 206 (72/80) ======================= q-point: (-0.50 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.413 ( -2.606 -5.233 0.270) 5.852 0.413 ( 2.606 -5.233 0.270) 5.852 0.755 ( -1.503 2.316 -2.249) 3.561 0.755 ( 1.503 2.316 -2.249) 3.561 0.934 ( -2.436 -0.756 1.970) 3.222 0.934 ( 2.436 -0.756 1.970) 3.222 0.986 ( -1.829 -1.794 -0.766) 2.674 0.986 ( 1.829 -1.794 -0.766) 2.674 1.247 ( -5.920 0.925 5.059) 7.842 1.247 ( 5.920 0.925 5.059) 7.842 1.345 ( -6.666 0.709 -3.342) 7.490 1.345 ( 6.666 0.709 -3.342) 7.490 1.569 ( -2.297 1.781 1.971) 3.512 1.569 ( 2.297 1.781 1.971) 3.512 1.628 ( -1.564 0.139 -1.419) 2.116 1.628 ( 1.564 0.139 -1.419) 2.116 1.754 ( -0.689 -2.920 2.413) 3.851 1.754 ( 0.689 -2.920 2.413) 3.851 1.923 ( -0.572 -3.227 -0.147) 3.281 1.923 ( 0.572 -3.227 -0.147) 3.281 2.214 ( -1.002 -2.290 0.119) 2.503 2.214 ( 1.002 -2.290 0.119) 2.503 2.274 ( -0.837 2.530 0.286) 2.680 2.274 ( 0.837 2.530 0.286) 2.680 2.439 ( -0.746 5.117 -1.108) 5.288 2.439 ( 0.746 5.117 -1.108) 5.288 2.609 ( -0.632 -1.547 -0.084) 1.674 2.609 ( 0.632 -1.547 -0.084) 1.674 2.748 ( -3.592 7.382 2.110) 8.476 2.748 ( 3.592 7.382 2.110) 8.476 2.780 ( -4.292 5.497 -0.251) 6.978 2.780 ( 4.292 5.496 -0.251) 6.978 3.063 ( -1.947 -1.391 2.054) 3.154 3.063 ( 1.947 -1.391 2.054) 3.154 3.302 ( -1.691 -8.297 -1.877) 8.673 3.302 ( 1.691 -8.297 -1.877) 8.673 9.862 ( -0.487 -1.058 -0.030) 1.165 9.862 ( 0.487 -1.058 -0.030) 1.165 9.904 ( -1.073 -1.078 -0.886) 1.760 9.904 ( 1.073 -1.078 -0.886) 1.760 10.037 ( -0.417 2.759 -0.411) 2.820 10.037 ( 0.417 2.759 -0.411) 2.820 10.148 ( -0.186 1.714 -0.294) 1.749 10.148 ( 0.186 1.714 -0.294) 1.749 14.587 ( -0.087 -0.974 0.171) 0.993 14.587 ( 0.087 -0.974 0.171) 0.993 14.630 ( -0.130 0.217 -0.291) 0.385 14.630 ( 0.130 0.217 -0.291) 0.385 14.772 ( -0.195 0.054 -0.063) 0.212 14.772 ( 0.195 0.054 -0.063) 0.212 14.817 ( -0.038 0.612 0.113) 0.624 14.817 ( 0.038 0.612 0.113) 0.624 14.953 ( -0.067 -0.198 0.002) 0.209 14.953 ( 0.067 -0.198 0.002) 0.209 15.078 ( -0.380 -2.504 0.630) 2.610 15.078 ( 0.380 -2.504 0.630) 2.610 22.217 ( -0.069 -0.053 -0.007) 0.087 22.217 ( 0.069 -0.053 -0.007) 0.087 22.246 ( -0.007 -0.490 -0.067) 0.495 22.246 ( 0.007 -0.490 -0.067) 0.495 29.652 ( -0.526 4.051 -0.438) 4.108 29.652 ( 0.526 4.051 -0.438) 4.108 29.789 ( -0.453 3.673 -2.185) 4.298 29.789 ( 0.453 3.673 -2.185) 4.298 30.932 ( -4.329 7.274 3.956) 9.344 30.932 ( 4.329 7.274 3.956) 9.344 31.191 ( -4.430 2.840 2.642) 5.888 31.191 ( 4.430 2.840 2.642) 5.888 32.134 ( -3.920 -1.510 2.717) 5.003 32.134 ( 3.920 -1.510 2.717) 5.003 32.869 ( -3.292 -14.374 -5.395) 15.702 32.869 ( 3.292 -14.374 -5.395) 15.702 ======================= Grid point 210 (73/80) ======================= q-point: ( 0.00 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( 0.000 0.846 5.542) 5.607 0.736 ( 0.000 0.573 -3.059) 3.112 0.748 ( 0.000 2.915 0.848) 3.036 0.772 ( 0.000 2.200 -1.312) 2.562 0.839 ( 0.000 -2.404 2.911) 3.775 0.880 ( 0.000 0.448 -0.739) 0.864 1.073 ( 0.000 3.179 0.032) 3.179 1.078 ( 0.000 3.328 -0.103) 3.330 1.149 ( 0.000 1.428 -0.416) 1.488 1.166 ( 0.000 1.177 -2.712) 2.956 1.425 ( 0.000 -7.823 3.161) 8.438 1.464 ( 0.000 -1.386 1.915) 2.364 1.516 ( 0.000 -3.194 0.115) 3.196 1.569 ( 0.000 5.005 -1.581) 5.248 1.643 ( 0.000 2.777 3.698) 4.625 1.719 ( 0.000 1.695 -2.862) 3.327 1.722 ( 0.000 0.279 3.565) 3.575 1.780 ( 0.000 -1.028 -2.297) 2.517 1.983 ( 0.000 1.451 2.370) 2.779 2.006 ( 0.000 0.867 -0.156) 0.880 2.205 ( 0.000 2.588 1.670) 3.080 2.239 ( 0.000 1.957 -1.805) 2.662 2.406 ( 0.000 -0.658 1.271) 1.431 2.420 ( 0.000 -1.183 -0.276) 1.214 2.445 ( 0.000 0.988 1.537) 1.828 2.474 ( 0.000 -0.834 -1.054) 1.344 2.500 ( 0.000 -1.500 0.839) 1.719 2.510 ( 0.000 -2.665 0.190) 2.672 2.612 ( 0.000 -0.661 -0.025) 0.662 2.615 ( 0.000 -0.742 -0.408) 0.847 2.822 ( 0.000 1.237 -0.359) 1.288 2.824 ( 0.000 1.389 -0.592) 1.510 2.977 ( 0.000 0.197 4.105) 4.110 3.039 ( 0.000 -3.859 -2.009) 4.351 3.210 ( 0.000 1.622 6.314) 6.519 3.317 ( 0.000 -0.917 -4.311) 4.408 9.836 ( 0.000 0.155 -0.270) 0.312 9.838 ( 0.000 0.065 -0.557) 0.560 9.893 ( 0.000 -1.715 1.008) 1.989 9.931 ( 0.000 -2.927 -2.761) 4.024 9.984 ( 0.000 -1.064 0.623) 1.233 9.996 ( 0.000 -1.415 -0.594) 1.535 10.243 ( 0.000 5.207 0.050) 5.208 10.251 ( 0.000 4.903 -0.696) 4.952 14.613 ( 0.000 0.114 0.312) 0.333 14.618 ( 0.000 0.039 -0.243) 0.246 14.660 ( 0.000 0.576 0.586) 0.822 14.680 ( 0.000 0.491 -1.215) 1.311 14.770 ( 0.000 -0.133 0.178) 0.223 14.781 ( 0.000 0.056 -0.787) 0.789 14.824 ( 0.000 -0.050 0.364) 0.367 14.826 ( 0.000 0.097 0.128) 0.160 14.943 ( 0.000 -0.947 0.097) 0.952 14.945 ( 0.000 -0.865 -0.013) 0.865 14.982 ( 0.000 -0.516 0.841) 0.987 14.990 ( 0.000 -0.874 -0.043) 0.875 22.217 ( 0.000 0.107 0.342) 0.359 22.224 ( 0.000 0.179 -0.311) 0.359 22.238 ( 0.000 -0.519 0.064) 0.523 22.241 ( 0.000 -0.346 -0.162) 0.382 29.681 ( 0.000 1.871 1.991) 2.732 29.736 ( 0.000 0.584 -3.329) 3.379 29.826 ( 0.000 4.425 -0.512) 4.455 29.878 ( 0.000 3.762 -5.172) 6.396 30.606 ( 0.000 -0.387 3.228) 3.251 30.639 ( 0.000 -0.968 0.088) 0.972 31.649 ( 0.000 1.899 3.529) 4.008 31.713 ( 0.000 3.429 -2.603) 4.305 31.914 ( 0.000 -4.098 12.173) 12.844 32.104 ( 0.000 -6.106 -6.292) 8.768 32.620 ( 0.000 0.789 8.618) 8.654 32.780 ( 0.000 -4.490 -7.550) 8.784 ======================= Grid point 211 (74/80) ======================= q-point: ( 0.17 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( -5.487 1.529 4.960) 7.553 0.701 ( -4.803 2.361 -2.984) 6.128 0.734 ( 0.906 2.920 1.682) 3.490 0.795 ( 2.154 1.707 -3.791) 4.682 0.846 ( 1.052 -2.675 3.387) 4.443 0.875 ( -0.191 0.255 0.727) 0.794 1.041 ( -2.857 1.984 0.659) 3.540 1.085 ( -2.628 3.786 -3.709) 5.916 1.142 ( 1.764 1.750 2.021) 3.203 1.184 ( 2.063 0.850 -2.147) 3.097 1.362 ( -3.080 -4.779 5.396) 7.838 1.458 ( -1.371 -6.006 -3.713) 7.193 1.541 ( 2.077 0.669 2.766) 3.523 1.594 ( 0.900 2.254 -2.358) 3.384 1.626 ( -1.637 1.849 4.123) 4.807 1.699 ( -2.057 0.699 -2.656) 3.431 1.719 ( -0.287 0.450 3.370) 3.412 1.769 ( -1.127 -0.681 -1.760) 2.199 1.933 ( -4.559 -1.102 2.216) 5.187 1.961 ( -3.958 -0.464 -0.605) 4.031 2.193 ( -1.336 1.234 1.197) 2.177 2.217 ( -0.950 1.239 -1.291) 2.026 2.383 ( -1.776 0.037 1.752) 2.495 2.403 ( -1.567 -0.850 -0.357) 1.818 2.478 ( 2.477 1.930 1.804) 3.622 2.509 ( 1.696 1.033 -1.055) 2.249 2.557 ( 1.160 -0.016 0.389) 1.223 2.568 ( 2.243 -0.741 -0.267) 2.378 2.612 ( 4.388 0.443 0.627) 4.454 2.624 ( 5.478 0.407 -0.393) 5.507 2.854 ( 2.641 0.821 -0.210) 2.774 2.856 ( 2.970 0.911 -0.299) 3.121 2.982 ( 0.442 -0.507 4.118) 4.172 3.045 ( 0.593 -4.416 -2.167) 4.955 3.190 ( -2.101 1.071 5.974) 6.423 3.291 ( -2.835 -1.175 -3.939) 4.993 9.838 ( 0.228 0.075 -0.280) 0.369 9.841 ( 0.241 -0.001 -0.584) 0.632 9.889 ( -0.370 -1.425 0.720) 1.639 9.917 ( -1.111 -2.354 -2.036) 3.304 10.003 ( 1.966 -0.673 0.694) 2.190 10.021 ( 2.310 -1.148 -1.183) 2.837 10.229 ( -1.475 4.612 0.151) 4.845 10.239 ( -1.283 4.312 -0.804) 4.571 14.604 ( -0.829 0.204 0.369) 0.930 14.612 ( -0.726 0.178 -0.367) 0.833 14.651 ( -0.840 0.397 0.413) 1.017 14.667 ( -1.243 0.383 -1.006) 1.644 14.769 ( -0.051 0.031 0.339) 0.344 14.781 ( -0.034 0.154 -0.797) 0.812 14.823 ( -0.119 -0.249 0.305) 0.411 14.825 ( -0.160 -0.038 0.122) 0.205 14.946 ( 0.194 -0.532 0.138) 0.583 14.947 ( 0.209 -0.572 0.007) 0.609 14.991 ( 1.028 -1.096 1.001) 1.806 15.003 ( 1.110 -1.411 -0.134) 1.800 22.217 ( -0.025 0.103 0.286) 0.305 22.223 ( -0.138 0.169 -0.273) 0.349 22.237 ( -0.054 -0.519 0.049) 0.524 22.240 ( -0.097 -0.368 -0.153) 0.410 29.691 ( 0.989 2.271 1.420) 2.855 29.739 ( 0.278 1.353 -3.321) 3.597 29.826 ( -0.008 3.720 -0.486) 3.752 29.873 ( -0.527 3.285 -4.868) 5.896 30.670 ( 6.941 0.756 3.944) 8.019 30.709 ( 7.464 -0.142 0.134) 7.466 31.606 ( -5.478 3.995 4.881) 8.354 31.670 ( -5.927 5.524 -0.753) 8.137 31.923 ( 2.217 -4.581 10.426) 11.602 32.110 ( 1.162 -6.425 -7.436) 9.896 32.595 ( -2.459 -2.167 7.854) 8.510 32.748 ( -3.353 -6.462 -7.577) 10.508 ======================= Grid point 212 (75/80) ======================= q-point: ( 0.33 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( -8.072 4.190 3.974) 9.925 0.560 ( -9.665 4.556 -4.376) 11.547 0.770 ( 1.598 1.221 1.005) 2.248 0.808 ( -0.970 0.302 -1.808) 2.074 0.887 ( 3.040 -1.022 2.328) 3.963 0.894 ( 2.545 -0.337 1.273) 2.866 0.980 ( -3.023 0.553 1.054) 3.249 1.016 ( -3.650 0.808 -2.961) 4.769 1.204 ( 3.990 2.868 1.585) 5.163 1.244 ( 4.224 0.345 -2.170) 4.762 1.326 ( -1.440 -1.610 6.018) 6.394 1.427 ( -2.868 -2.701 -3.642) 5.365 1.568 ( 1.456 -1.415 1.007) 2.267 1.581 ( -1.271 0.915 0.475) 1.636 1.615 ( 0.206 0.157 0.141) 0.295 1.655 ( -2.233 -0.532 -2.263) 3.223 1.705 ( -1.087 -0.719 3.100) 3.363 1.741 ( -1.901 -0.534 -0.487) 2.034 1.858 ( -2.801 -4.109 1.545) 5.208 1.887 ( -3.605 -2.680 -1.104) 4.626 2.178 ( 0.030 0.731 1.782) 1.926 2.207 ( -0.528 0.588 -1.010) 1.282 2.348 ( -1.823 1.609 1.712) 2.974 2.366 ( -2.241 1.178 -0.005) 2.532 2.514 ( 1.476 3.438 0.599) 3.789 2.532 ( 0.629 2.920 -0.940) 3.131 2.547 ( -0.199 -1.049 0.253) 1.097 2.562 ( -0.516 -2.158 -0.959) 2.417 2.766 ( 8.808 4.674 1.812) 10.135 2.780 ( 8.753 4.340 0.275) 9.774 2.900 ( 1.850 1.517 0.408) 2.427 2.906 ( 1.809 2.035 0.120) 2.726 2.992 ( 0.730 -2.281 3.707) 4.413 3.055 ( 0.065 -3.916 -2.199) 4.492 3.138 ( -2.988 -2.617 4.730) 6.177 3.219 ( -4.759 -2.887 -3.028) 6.336 9.843 ( 0.335 -0.111 -0.302) 0.464 9.846 ( 0.287 -0.196 -0.599) 0.692 9.882 ( -0.235 -1.004 0.189) 1.048 9.897 ( -0.972 -1.565 -1.268) 2.236 10.049 ( 2.864 0.761 0.526) 3.009 10.069 ( 2.605 0.498 -1.474) 3.034 10.194 ( -2.205 2.773 0.313) 3.557 10.206 ( -2.182 2.626 -0.943) 3.542 14.588 ( -0.719 0.371 0.275) 0.855 14.594 ( -0.969 0.454 -0.322) 1.117 14.637 ( -0.603 0.017 0.089) 0.610 14.644 ( -1.032 0.075 -0.594) 1.193 14.770 ( 0.209 0.223 0.305) 0.431 14.779 ( -0.163 0.289 -0.538) 0.633 14.820 ( -0.179 -0.434 0.214) 0.516 14.821 ( -0.198 -0.255 0.026) 0.324 14.949 ( 0.164 -0.080 0.179) 0.256 14.950 ( 0.121 -0.088 0.076) 0.168 15.013 ( 1.162 -2.020 0.936) 2.511 15.022 ( 0.798 -2.192 0.093) 2.335 22.217 ( 0.012 0.097 0.146) 0.175 22.220 ( -0.169 0.139 -0.171) 0.278 22.237 ( -0.038 -0.508 0.004) 0.509 22.238 ( -0.117 -0.419 -0.120) 0.452 29.713 ( 1.258 3.211 0.053) 3.449 29.742 ( -0.069 3.116 -2.899) 4.257 29.828 ( 0.377 2.064 -0.927) 2.294 29.859 ( -0.958 2.195 -3.898) 4.575 30.855 ( 12.742 3.623 5.264) 14.255 30.902 ( 12.977 2.326 0.565) 13.196 31.431 ( -12.975 5.889 6.453) 15.643 31.485 ( -13.431 5.263 1.603) 14.514 32.009 ( 6.382 -2.110 6.792) 9.555 32.145 ( 1.549 -2.858 -5.927) 6.760 32.551 ( -1.380 -9.844 4.235) 10.805 32.666 ( -5.210 -10.912 -6.994) 13.969 ======================= Grid point 213 (76/80) ======================= q-point: (-0.50 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.413 ( -3.776 5.400 -1.005) 6.665 0.413 ( 3.776 5.400 -1.005) 6.665 0.788 ( -0.813 0.209 -0.249) 0.876 0.788 ( 0.813 0.209 -0.249) 0.876 0.933 ( -2.011 0.573 1.181) 2.401 0.933 ( 2.011 0.573 1.181) 2.401 0.956 ( -3.081 -0.852 -0.416) 3.224 0.956 ( 3.081 -0.852 -0.416) 3.224 1.270 ( -2.835 1.430 2.784) 4.223 1.270 ( 2.835 1.430 2.784) 4.223 1.349 ( -4.922 -0.211 -1.759) 5.231 1.349 ( 4.922 -0.211 -1.759) 5.231 1.579 ( -0.606 -1.171 0.949) 1.624 1.579 ( 0.606 -1.171 0.949) 1.624 1.623 ( -1.331 -1.193 -1.740) 2.494 1.623 ( 1.331 -1.193 -1.740) 2.494 1.706 ( -1.483 -0.962 1.507) 2.323 1.706 ( 1.483 -0.962 1.507) 2.323 1.842 ( -1.016 -4.146 -0.085) 4.270 1.842 ( 1.016 -4.146 -0.085) 4.270 2.191 ( -1.091 0.401 0.805) 1.414 2.191 ( 1.091 0.401 0.805) 1.414 2.335 ( -0.675 2.457 0.572) 2.611 2.335 ( 0.675 2.457 0.572) 2.611 2.533 ( -0.511 3.775 -0.462) 3.838 2.533 ( 0.511 3.775 -0.462) 3.838 2.552 ( -0.508 -2.089 -0.211) 2.160 2.552 ( 0.508 -2.089 -0.211) 2.160 2.889 ( -3.531 5.583 1.662) 6.812 2.889 ( 3.531 5.583 1.662) 6.812 2.899 ( -2.916 4.462 0.534) 5.357 2.899 ( 2.916 4.462 0.534) 5.358 3.022 ( -2.794 -1.828 2.023) 3.904 3.022 ( 2.794 -1.828 2.023) 3.904 3.137 ( -3.225 -7.368 -1.056) 8.112 3.137 ( 3.225 -7.368 -1.056) 8.112 9.848 ( -0.122 -0.284 -0.420) 0.522 9.848 ( 0.122 -0.284 -0.420) 0.522 9.884 ( -0.448 -1.002 -0.546) 1.226 9.884 ( 0.448 -1.002 -0.546) 1.226 10.093 ( -0.982 2.709 -0.469) 2.920 10.093 ( 0.982 2.709 -0.469) 2.920 10.171 ( -0.762 0.565 -0.400) 1.030 10.171 ( 0.762 0.565 -0.400) 1.030 14.583 ( -0.185 0.487 -0.005) 0.521 14.583 ( 0.185 0.487 -0.005) 0.521 14.632 ( -0.203 -0.117 -0.255) 0.346 14.632 ( 0.203 -0.117 -0.255) 0.346 14.775 ( -0.287 0.314 -0.042) 0.428 14.775 ( 0.287 0.314 -0.042) 0.428 14.819 ( -0.073 -0.409 0.042) 0.418 14.819 ( 0.073 -0.409 0.042) 0.418 14.951 ( -0.035 0.081 0.148) 0.172 14.951 ( 0.035 0.081 0.148) 0.172 15.027 ( -0.263 -2.451 0.563) 2.529 15.027 ( 0.263 -2.451 0.563) 2.529 22.218 ( -0.101 0.108 -0.023) 0.150 22.218 ( 0.101 0.108 -0.023) 0.150 22.237 ( -0.047 -0.473 -0.060) 0.479 22.237 ( 0.047 -0.473 -0.060) 0.479 29.733 ( -0.845 3.899 -1.561) 4.284 29.733 ( 0.845 3.899 -1.561) 4.284 29.841 ( -0.931 1.382 -2.366) 2.894 29.841 ( 0.931 1.382 -2.366) 2.894 31.085 ( -5.322 7.545 4.294) 10.183 31.085 ( 5.322 7.545 4.294) 10.183 31.245 ( -5.402 2.214 3.450) 6.782 31.245 ( 5.402 2.214 3.450) 6.782 32.120 ( -4.538 0.455 1.725) 4.876 32.120 ( 4.538 0.455 1.725) 4.876 32.575 ( -3.946 -14.303 -3.354) 15.212 32.575 ( 3.946 -14.303 -3.354) 15.212 ======================= Grid point 217 (77/80) ======================= q-point: ( 0.00 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( 0.000 2.241 4.168) 4.732 0.723 ( 0.000 -1.954 0.723) 2.083 0.790 ( 0.000 1.004 0.382) 1.074 0.798 ( 0.000 0.372 -0.292) 0.473 0.822 ( 0.000 1.215 0.237) 1.238 0.858 ( 0.000 -1.962 -2.226) 2.967 1.135 ( 0.000 2.073 -0.319) 2.098 1.148 ( 0.000 2.626 -0.272) 2.640 1.170 ( 0.000 0.457 -0.021) 0.457 1.187 ( 0.000 2.446 -0.034) 2.447 1.289 ( 0.000 -4.720 1.226) 4.876 1.328 ( 0.000 -6.636 -2.307) 7.026 1.587 ( 0.000 4.518 4.936) 6.691 1.639 ( 0.000 0.265 3.485) 3.495 1.685 ( 0.000 2.845 -2.196) 3.594 1.730 ( 0.000 0.310 1.665) 1.694 1.730 ( 0.000 -0.464 -2.561) 2.602 1.748 ( 0.000 -1.976 -0.597) 2.064 2.026 ( 0.000 1.739 1.541) 2.324 2.032 ( 0.000 1.032 0.803) 1.308 2.264 ( 0.000 2.989 1.215) 3.227 2.282 ( 0.000 1.719 -0.510) 1.793 2.386 ( 0.000 -1.377 0.338) 1.418 2.389 ( 0.000 -0.677 0.201) 0.706 2.413 ( 0.000 -2.934 0.534) 2.982 2.421 ( 0.000 -3.016 -0.246) 3.026 2.501 ( 0.000 2.046 1.060) 2.304 2.515 ( 0.000 1.186 -0.497) 1.286 2.584 ( 0.000 -1.627 0.181) 1.637 2.590 ( 0.000 -1.734 -0.458) 1.794 2.837 ( 0.000 0.340 -0.435) 0.552 2.839 ( 0.000 0.190 -0.553) 0.585 2.980 ( 0.000 0.341 1.768) 1.801 2.991 ( 0.000 -1.008 0.721) 1.240 3.255 ( 0.000 2.351 3.298) 4.050 3.295 ( 0.000 -1.537 -0.616) 1.656 9.838 ( 0.000 0.079 -0.340) 0.349 9.839 ( 0.000 -0.017 -0.431) 0.432 9.872 ( 0.000 -0.243 -0.386) 0.456 9.885 ( 0.000 -1.523 -1.656) 2.250 9.969 ( 0.000 -0.301 0.304) 0.428 9.973 ( 0.000 -0.729 -0.120) 0.739 10.320 ( 0.000 2.157 -0.302) 2.178 10.323 ( 0.000 1.925 -0.519) 1.993 14.617 ( 0.000 0.244 0.163) 0.293 14.620 ( 0.000 0.022 -0.083) 0.086 14.673 ( 0.000 0.620 0.066) 0.624 14.682 ( 0.000 -0.262 -0.840) 0.880 14.772 ( 0.000 0.342 0.227) 0.411 14.780 ( 0.000 -0.264 -0.424) 0.499 14.822 ( 0.000 -0.017 0.198) 0.199 14.824 ( 0.000 -0.204 -0.021) 0.205 14.922 ( 0.000 -0.684 0.062) 0.687 14.924 ( 0.000 -0.781 -0.055) 0.783 14.981 ( 0.000 0.150 0.530) 0.551 14.983 ( 0.000 -0.106 0.288) 0.307 22.221 ( 0.000 0.284 0.374) 0.469 22.227 ( 0.000 -0.190 0.240) 0.306 22.230 ( 0.000 0.021 -0.341) 0.342 22.235 ( 0.000 -0.297 -0.313) 0.431 29.713 ( 0.000 1.262 0.658) 1.424 29.732 ( 0.000 -0.661 -1.100) 1.283 29.900 ( 0.000 2.569 -3.014) 3.960 29.921 ( 0.000 0.521 -4.838) 4.866 30.606 ( 0.000 0.380 2.676) 2.702 30.620 ( 0.000 -0.910 1.373) 1.647 31.703 ( 0.000 3.505 5.071) 6.164 31.767 ( 0.000 -0.748 1.101) 1.331 31.857 ( 0.000 1.520 3.936) 4.219 31.966 ( 0.000 -7.133 -4.436) 8.399 32.658 ( 0.000 2.590 4.718) 5.382 32.712 ( 0.000 -2.788 -0.701) 2.875 ======================= Grid point 218 (78/80) ======================= q-point: ( 0.17 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( -2.176 3.539 4.288) 5.971 0.731 ( 0.383 -1.087 -0.276) 1.185 0.763 ( -3.036 0.534 0.724) 3.167 0.785 ( -0.075 -0.660 -0.184) 0.690 0.841 ( 1.797 1.001 -0.180) 2.064 0.861 ( 0.590 -1.127 -1.102) 1.684 1.099 ( -4.423 3.009 1.035) 5.448 1.132 ( -4.910 0.204 -1.830) 5.244 1.182 ( 2.386 1.799 0.983) 3.145 1.216 ( 1.908 3.882 -1.949) 4.745 1.254 ( 0.372 -4.900 3.825) 6.228 1.326 ( 1.487 -6.318 -3.311) 7.286 1.590 ( -0.749 3.288 3.656) 4.974 1.634 ( -1.322 -0.346 3.810) 4.047 1.661 ( -2.261 2.929 -2.848) 4.669 1.706 ( -2.419 0.327 -1.856) 3.067 1.717 ( -1.439 -1.315 0.142) 1.954 1.731 ( -1.482 -2.251 -0.421) 2.728 1.936 ( -7.346 0.841 1.966) 7.651 1.952 ( -6.754 -0.648 0.232) 6.789 2.234 ( -1.365 2.394 0.895) 2.897 2.248 ( -0.921 1.281 -0.547) 1.670 2.369 ( -1.473 -1.124 0.626) 1.956 2.374 ( -1.581 -1.754 0.121) 2.365 2.505 ( 3.268 1.684 1.556) 3.992 2.524 ( 2.415 1.163 -0.195) 2.687 2.546 ( 4.714 -1.535 0.913) 5.041 2.552 ( 2.477 -1.286 0.315) 2.809 2.624 ( 7.433 0.471 -0.013) 7.448 2.628 ( 8.498 0.007 -0.373) 8.506 2.854 ( 1.541 -0.282 -0.295) 1.594 2.856 ( 1.879 -0.447 -0.524) 2.001 2.972 ( -0.793 -0.015 1.682) 1.859 2.983 ( -0.807 -1.410 0.651) 1.750 3.234 ( -2.356 2.380 3.121) 4.578 3.271 ( -2.645 -1.245 -0.494) 2.965 9.840 ( 0.221 0.149 -0.330) 0.425 9.842 ( 0.277 0.037 -0.478) 0.553 9.870 ( -0.203 -0.297 -0.346) 0.499 9.880 ( -0.427 -1.257 -1.312) 1.867 9.994 ( 2.636 -0.110 0.224) 2.648 10.000 ( 2.797 -0.758 -0.450) 2.933 10.299 ( -2.334 1.978 -0.275) 3.072 10.302 ( -2.242 1.654 -0.588) 2.847 14.612 ( -0.535 0.408 0.196) 0.701 14.615 ( -0.422 0.067 -0.185) 0.465 14.660 ( -1.278 0.448 0.018) 1.354 14.668 ( -1.426 -0.271 -0.730) 1.624 14.774 ( 0.204 0.473 0.256) 0.575 14.782 ( 0.229 -0.173 -0.471) 0.552 14.817 ( -0.490 -0.162 0.219) 0.561 14.820 ( -0.435 -0.354 -0.070) 0.565 14.932 ( 0.900 -0.512 0.109) 1.041 14.933 ( 0.880 -0.564 0.057) 1.047 14.982 ( 0.093 -0.021 0.608) 0.615 14.986 ( 0.185 -0.415 0.230) 0.509 22.221 ( -0.033 0.280 0.313) 0.421 22.227 ( -0.087 -0.039 0.094) 0.134 22.229 ( -0.109 -0.125 -0.197) 0.257 22.233 ( -0.136 -0.313 -0.281) 0.442 29.728 ( 1.574 1.375 0.226) 2.102 29.746 ( 1.416 -0.371 -1.379) 2.011 29.890 ( -1.101 2.286 -2.793) 3.774 29.910 ( -1.232 0.363 -4.527) 4.706 30.687 ( 8.680 0.860 3.152) 9.275 30.702 ( 8.793 -0.576 1.693) 8.973 31.697 ( -2.893 5.079 6.550) 8.778 31.781 ( -8.220 2.285 3.271) 9.137 31.830 ( 6.542 -1.036 1.961) 6.907 31.958 ( 1.203 -8.138 -5.670) 9.991 32.596 ( -6.464 1.743 4.242) 7.926 32.650 ( -6.423 -3.612 -1.223) 7.470 ======================= Grid point 219 (79/80) ======================= q-point: ( 0.33 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( -4.140 7.550 3.502) 9.296 0.673 ( -6.137 5.955 -3.739) 9.333 0.731 ( -0.799 -5.165 2.242) 5.687 0.773 ( -2.097 -3.537 -1.756) 4.471 0.886 ( 3.415 0.911 2.129) 4.126 0.898 ( 3.201 -0.005 0.971) 3.345 1.006 ( -4.024 1.670 0.959) 4.461 1.027 ( -4.792 -0.136 -0.994) 4.895 1.247 ( 4.253 0.424 0.707) 4.332 1.255 ( 3.069 0.763 0.857) 3.277 1.304 ( 2.415 0.937 1.296) 2.897 1.362 ( 0.851 -3.537 -3.328) 4.931 1.557 ( -1.856 0.709 2.032) 2.842 1.586 ( -3.017 -1.071 1.478) 3.526 1.616 ( -2.976 0.799 -2.917) 4.243 1.644 ( -4.104 -1.032 -3.542) 5.518 1.694 ( -0.184 -0.328 1.236) 1.292 1.708 ( -0.195 -1.668 -0.184) 1.689 1.820 ( -4.864 -0.106 2.618) 5.525 1.839 ( -5.142 -1.931 0.340) 5.504 2.226 ( 0.302 3.530 1.341) 3.788 2.244 ( 0.043 2.551 -0.485) 2.597 2.336 ( -1.653 -2.480 1.081) 3.171 2.345 ( -1.533 -2.776 0.161) 3.175 2.544 ( 1.365 1.765 0.724) 2.346 2.554 ( 0.841 1.111 -0.225) 1.411 2.571 ( 0.794 0.871 0.293) 1.214 2.573 ( 0.647 0.303 0.073) 0.718 2.828 ( 10.452 1.496 1.904) 10.729 2.836 ( 11.304 1.202 1.316) 11.444 2.888 ( 2.014 -1.071 0.154) 2.286 2.906 ( 4.380 -1.858 -1.239) 4.916 2.953 ( -1.299 -0.708 1.333) 1.992 2.963 ( -1.360 -2.386 0.460) 2.785 3.164 ( -5.428 2.371 2.690) 6.506 3.194 ( -5.779 -0.696 -0.261) 5.827 9.845 ( 0.330 0.290 -0.348) 0.560 9.848 ( 0.331 0.207 -0.571) 0.692 9.866 ( -0.257 -0.502 -0.293) 0.635 9.872 ( -0.482 -0.966 -0.870) 1.386 10.061 ( 4.451 0.470 0.033) 4.476 10.069 ( 4.449 -0.310 -0.782) 4.528 10.238 ( -4.104 1.401 -0.213) 4.342 10.243 ( -3.996 0.902 -0.718) 4.159 14.602 ( -0.363 0.796 0.151) 0.888 14.607 ( -0.409 0.497 -0.340) 0.728 14.634 ( -1.271 -0.141 0.006) 1.279 14.639 ( -1.418 -0.496 -0.515) 1.588 14.779 ( 0.374 0.658 0.214) 0.786 14.786 ( 0.202 0.246 -0.444) 0.546 14.807 ( -0.456 -0.528 0.243) 0.739 14.811 ( -0.478 -0.644 -0.141) 0.814 14.949 ( 0.863 0.126 0.279) 0.916 14.951 ( 0.899 0.065 0.147) 0.914 14.983 ( 0.037 -0.800 0.645) 1.028 14.987 ( -0.042 -1.138 0.233) 1.162 22.220 ( 0.008 0.272 0.156) 0.314 22.224 ( -0.174 0.241 -0.150) 0.333 22.227 ( -0.028 -0.389 0.048) 0.393 22.230 ( -0.171 -0.349 -0.185) 0.431 29.765 ( 2.306 1.833 -0.760) 3.043 29.780 ( 2.115 0.542 -2.094) 3.026 29.862 ( -1.802 1.351 -2.228) 3.167 29.879 ( -2.063 -0.119 -3.721) 4.256 30.913 ( 15.430 2.015 4.173) 16.111 30.930 ( 15.516 0.353 2.498) 15.719 31.535 ( -13.987 3.953 5.989) 15.720 31.562 ( -15.154 1.641 3.794) 15.708 31.991 ( 10.387 1.063 1.832) 10.601 32.061 ( 8.970 -5.100 -4.724) 11.349 32.439 ( -9.903 -0.980 3.206) 10.455 32.494 ( -9.973 -5.987 -2.348) 11.867 ======================= Grid point 220 (80/80) ======================= q-point: (-0.50 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( -2.769 9.204 -0.524) 9.626 0.575 ( 2.769 9.204 -0.524) 9.626 0.732 ( -1.427 -5.799 0.322) 5.980 0.732 ( 1.427 -5.799 0.322) 5.980 0.949 ( -2.939 1.003 1.319) 3.374 0.949 ( 2.939 1.003 1.319) 3.374 0.959 ( -3.241 0.268 0.308) 3.267 0.959 ( 3.241 0.268 0.308) 3.267 1.303 ( -1.705 1.681 1.097) 2.634 1.303 ( 1.705 1.681 1.097) 2.634 1.334 ( -3.359 -1.328 0.197) 3.617 1.334 ( 3.359 -1.328 0.197) 3.617 1.552 ( -1.369 -0.245 -1.255) 1.873 1.552 ( 1.369 -0.245 -1.255) 1.873 1.581 ( -1.607 -2.555 -3.092) 4.321 1.581 ( 1.607 -2.555 -3.092) 4.321 1.717 ( -1.171 1.841 1.548) 2.675 1.717 ( 1.171 1.841 1.548) 2.675 1.770 ( -1.253 -3.194 1.197) 3.634 1.770 ( 1.253 -3.194 1.197) 3.634 2.238 ( -0.759 4.037 0.631) 4.156 2.238 ( 0.759 4.037 0.631) 4.156 2.324 ( -0.473 -3.508 0.620) 3.593 2.324 ( 0.473 -3.508 0.620) 3.593 2.558 ( -0.257 2.100 0.173) 2.123 2.558 ( 0.257 2.100 0.173) 2.123 2.581 ( -0.060 0.579 0.104) 0.591 2.581 ( 0.060 0.579 0.104) 0.591 2.914 ( -1.220 -0.590 1.112) 1.753 2.914 ( 1.220 -0.590 1.112) 1.753 2.931 ( -1.069 -1.864 0.737) 2.272 2.931 ( 1.069 -1.864 0.737) 2.272 3.032 ( -8.667 2.163 1.846) 9.122 3.032 ( 8.667 2.163 1.846) 9.122 3.058 ( -8.750 -0.818 -0.223) 8.791 3.058 ( 8.750 -0.818 -0.223) 8.791 9.850 ( -0.125 0.467 -0.494) 0.691 9.850 ( 0.125 0.467 -0.494) 0.691 9.864 ( -0.221 -0.886 -0.484) 1.034 9.864 ( 0.221 -0.886 -0.484) 1.034 10.141 ( -1.307 1.996 -0.491) 2.436 10.141 ( 1.307 1.996 -0.491) 2.436 10.169 ( -1.213 -0.806 -0.463) 1.528 10.169 ( 1.213 -0.806 -0.463) 1.528 14.601 ( -0.229 1.178 -0.133) 1.207 14.601 ( 0.229 1.178 -0.133) 1.207 14.623 ( -0.226 -0.861 -0.215) 0.916 14.623 ( 0.226 -0.861 -0.215) 0.916 14.786 ( -0.273 0.790 -0.045) 0.837 14.786 ( 0.273 0.790 -0.045) 0.837 14.804 ( -0.183 -0.924 -0.029) 0.942 14.804 ( 0.183 -0.924 -0.029) 0.942 14.959 ( -0.089 0.809 0.287) 0.863 14.959 ( 0.089 0.809 0.287) 0.863 14.985 ( -0.174 -1.745 0.431) 1.806 14.985 ( 0.174 -1.745 0.431) 1.806 22.221 ( -0.112 0.267 -0.034) 0.292 22.221 ( 0.112 0.267 -0.034) 0.292 22.228 ( -0.091 -0.387 -0.047) 0.400 22.228 ( 0.091 -0.387 -0.047) 0.400 29.802 ( -0.956 2.877 -2.102) 3.689 29.802 ( 0.956 2.877 -2.102) 3.689 29.843 ( -1.030 -1.080 -2.374) 2.804 29.843 ( 1.030 -1.080 -2.374) 2.804 31.212 ( -6.232 4.722 4.428) 8.986 31.212 ( 6.232 4.722 4.428) 8.986 31.265 ( -6.373 -0.601 4.076) 7.588 31.265 ( 6.373 -0.601 4.076) 7.588 32.169 ( -5.057 4.892 0.281) 7.041 32.169 ( 5.057 4.892 0.281) 7.041 32.323 ( -4.727 -10.450 -1.471) 11.563 32.323 ( 4.727 -10.450 -1.471) 11.563 =================== 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 3/27216 10.0 3.650 3.006 2.567 0.000 0.000 -0.000 3/27216 20.0 1.251 1.067 0.886 0.000 0.000 -0.000 3/27216 30.0 0.733 0.645 0.523 0.000 0.000 -0.000 3/27216 40.0 0.531 0.483 0.379 0.000 0.000 -0.000 3/27216 50.0 0.451 0.430 0.321 0.000 0.000 -0.000 3/27216 60.0 0.454 0.462 0.320 0.000 0.000 -0.000 3/27216 70.0 0.515 0.558 0.358 0.000 0.000 -0.000 3/27216 80.0 0.610 0.692 0.418 0.000 0.000 -0.000 3/27216 90.0 0.716 0.837 0.486 0.000 0.000 -0.000 3/27216 100.0 0.818 0.974 0.552 0.000 0.000 -0.000 3/27216 110.0 0.907 1.095 0.608 0.000 0.000 -0.000 3/27216 120.0 0.980 1.193 0.654 0.000 0.000 -0.000 3/27216 130.0 1.036 1.270 0.689 0.000 0.000 -0.000 3/27216 140.0 1.077 1.327 0.713 0.000 0.000 -0.000 3/27216 150.0 1.104 1.366 0.728 0.000 0.000 -0.000 3/27216 160.0 1.119 1.390 0.734 0.000 0.000 -0.000 3/27216 170.0 1.125 1.402 0.734 0.000 0.000 -0.000 3/27216 180.0 1.123 1.403 0.729 0.000 0.000 -0.000 3/27216 190.0 1.115 1.397 0.720 0.000 0.000 -0.000 3/27216 200.0 1.103 1.384 0.708 0.000 0.000 -0.000 3/27216 210.0 1.087 1.366 0.693 0.000 0.000 -0.000 3/27216 220.0 1.068 1.345 0.677 0.000 0.000 -0.000 3/27216 230.0 1.048 1.322 0.660 0.000 0.000 -0.000 3/27216 240.0 1.026 1.296 0.643 0.000 0.000 -0.000 3/27216 250.0 1.004 1.269 0.625 0.000 0.000 -0.000 3/27216 260.0 0.981 1.242 0.607 0.000 0.000 -0.000 3/27216 270.0 0.959 1.215 0.590 0.000 0.000 -0.000 3/27216 280.0 0.936 1.187 0.573 0.000 0.000 -0.000 3/27216 290.0 0.914 1.160 0.557 0.000 0.000 -0.000 3/27216 300.0 0.892 1.133 0.541 0.000 0.000 -0.000 3/27216 310.0 0.871 1.106 0.526 0.000 0.000 -0.000 3/27216 320.0 0.850 1.080 0.511 0.000 0.000 -0.000 3/27216 330.0 0.830 1.055 0.497 0.000 0.000 -0.000 3/27216 340.0 0.811 1.031 0.483 0.000 0.000 -0.000 3/27216 350.0 0.792 1.007 0.471 0.000 0.000 -0.000 3/27216 360.0 0.774 0.985 0.458 0.000 0.000 -0.000 3/27216 370.0 0.756 0.962 0.446 0.000 0.000 -0.000 3/27216 380.0 0.740 0.941 0.435 0.000 0.000 -0.000 3/27216 390.0 0.723 0.921 0.424 0.000 0.000 -0.000 3/27216 400.0 0.708 0.901 0.414 0.000 0.000 -0.000 3/27216 410.0 0.693 0.882 0.404 0.000 0.000 -0.000 3/27216 420.0 0.678 0.863 0.395 0.000 0.000 -0.000 3/27216 430.0 0.664 0.845 0.386 0.000 0.000 -0.000 3/27216 440.0 0.651 0.828 0.377 0.000 0.000 -0.000 3/27216 450.0 0.638 0.812 0.369 0.000 0.000 -0.000 3/27216 460.0 0.625 0.796 0.361 0.000 0.000 -0.000 3/27216 470.0 0.613 0.780 0.354 0.000 0.000 -0.000 3/27216 480.0 0.601 0.765 0.346 0.000 0.000 -0.000 3/27216 490.0 0.590 0.751 0.339 0.000 0.000 -0.000 3/27216 500.0 0.579 0.737 0.333 0.000 0.000 -0.000 3/27216 510.0 0.569 0.724 0.326 0.000 0.000 -0.000 3/27216 520.0 0.558 0.711 0.320 0.000 0.000 -0.000 3/27216 530.0 0.549 0.698 0.314 0.000 0.000 -0.000 3/27216 540.0 0.539 0.686 0.308 0.000 0.000 -0.000 3/27216 550.0 0.530 0.675 0.302 0.000 0.000 -0.000 3/27216 560.0 0.521 0.663 0.297 0.000 0.000 -0.000 3/27216 570.0 0.513 0.652 0.292 0.000 0.000 -0.000 3/27216 580.0 0.504 0.642 0.287 0.000 0.000 -0.000 3/27216 590.0 0.496 0.631 0.282 0.000 0.000 -0.000 3/27216 600.0 0.488 0.621 0.277 0.000 0.000 -0.000 3/27216 610.0 0.481 0.612 0.273 0.000 0.000 -0.000 3/27216 620.0 0.473 0.602 0.268 0.000 0.000 -0.000 3/27216 630.0 0.466 0.593 0.264 0.000 0.000 -0.000 3/27216 640.0 0.459 0.584 0.260 0.000 0.000 -0.000 3/27216 650.0 0.453 0.576 0.256 0.000 0.000 -0.000 3/27216 660.0 0.446 0.567 0.252 0.000 0.000 -0.000 3/27216 670.0 0.440 0.559 0.249 0.000 0.000 -0.000 3/27216 680.0 0.433 0.551 0.245 0.000 0.000 -0.000 3/27216 690.0 0.427 0.544 0.241 0.000 0.000 -0.000 3/27216 700.0 0.422 0.536 0.238 0.000 0.000 -0.000 3/27216 710.0 0.416 0.529 0.235 0.000 0.000 -0.000 3/27216 720.0 0.410 0.522 0.231 0.000 0.000 -0.000 3/27216 730.0 0.405 0.515 0.228 0.000 0.000 -0.000 3/27216 740.0 0.400 0.508 0.225 0.000 0.000 -0.000 3/27216 750.0 0.394 0.502 0.222 0.000 0.000 -0.000 3/27216 760.0 0.389 0.495 0.219 0.000 0.000 -0.000 3/27216 770.0 0.385 0.489 0.216 0.000 0.000 -0.000 3/27216 780.0 0.380 0.483 0.214 0.000 0.000 -0.000 3/27216 790.0 0.375 0.477 0.211 0.000 0.000 -0.000 3/27216 800.0 0.371 0.471 0.208 0.000 0.000 -0.000 3/27216 810.0 0.366 0.466 0.206 0.000 0.000 -0.000 3/27216 820.0 0.362 0.460 0.203 0.000 0.000 -0.000 3/27216 830.0 0.358 0.455 0.201 0.000 0.000 -0.000 3/27216 840.0 0.353 0.449 0.198 0.000 0.000 -0.000 3/27216 850.0 0.349 0.444 0.196 0.000 0.000 -0.000 3/27216 860.0 0.346 0.439 0.194 0.000 0.000 -0.000 3/27216 870.0 0.342 0.434 0.192 0.000 0.000 -0.000 3/27216 880.0 0.338 0.430 0.190 0.000 0.000 -0.000 3/27216 890.0 0.334 0.425 0.187 0.000 0.000 -0.000 3/27216 900.0 0.331 0.420 0.185 0.000 0.000 -0.000 3/27216 910.0 0.327 0.416 0.183 0.000 0.000 -0.000 3/27216 920.0 0.324 0.411 0.181 0.000 0.000 -0.000 3/27216 930.0 0.320 0.407 0.179 0.000 0.000 -0.000 3/27216 940.0 0.317 0.403 0.178 0.000 0.000 -0.000 3/27216 950.0 0.314 0.399 0.176 0.000 0.000 -0.000 3/27216 960.0 0.310 0.395 0.174 0.000 0.000 -0.000 3/27216 970.0 0.307 0.391 0.172 0.000 0.000 -0.000 3/27216 980.0 0.304 0.387 0.170 0.000 0.000 -0.000 3/27216 990.0 0.301 0.383 0.169 0.000 0.000 -0.000 3/27216 1000.0 0.298 0.379 0.167 0.000 0.000 -0.000 3/27216 Thermal conductivity related properties were written into "kappa-m697.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:49:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|