# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/34dbfb68-2548-469e-a8e2-aab43be96677/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for Sr2Sb2O7 / Imma (74) / materials id 4103](https://mdr.nims.go.jp/datasets/4efb0977-e4f8-46d5-9f70-110ff4ddb566) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-07 20:00:03]-------------------------Compiled with OpenMP support (max 48 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [2 1 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5]Spacegroup: Imma (74)Number of symmetry operations in supercell: 32------------------------------ primitive cell ------------------------------Lattice vectors: a -3.747193615000000 5.202581065000001 3.857809845000000 b 3.747193615000000 -5.202581065000001 3.857809845000000 c 3.747193615000000 5.202581065000001 -3.857809845000000Atomic positions (fractional): *1 O 0.18595776042786 0.86212917681257 0.91360823645839 15.999 2 O 0.81404223957214 0.72765047603053 0.67617141638470 15.999 3 O 0.44852094035417 0.27234952396947 0.58639176354161 15.999 4 O 0.55147905964583 0.13787082318744 0.82382858361530 15.999 5 O 0.81404223957214 0.13787082318744 0.08639176354161 15.999 6 O 0.18595776042786 0.27234952396947 0.32382858361530 15.999 7 O 0.55147905964583 0.72765047603053 0.41360823645839 15.999 8 O 0.44852094035417 0.86212917681256 0.17617141638470 15.999 *9 O 0.59876979062126 0.34876979062126 0.25000000000000 15.999 10 O 0.40123020937874 0.65123020937874 0.75000000000000 15.999 *11 O 0.87255389700346 0.78049716096171 0.09205673604175 15.999 12 O 0.12744610299654 0.21950283903829 0.90794326395825 15.999 13 O 0.18844042491996 0.78049716096171 0.40794326395825 15.999 14 O 0.81155957508004 0.21950283903829 0.59205673604175 15.999 *15 Sr 0.00000000000000 0.50000000000000 0.00000000000000 87.620 16 Sr 0.00000000000000 0.00000000000000 0.50000000000000 87.620 *17 Sr 0.50000000000000 0.50000000000000 0.00000000000000 87.620 18 Sr 0.00000000000000 0.50000000000000 0.50000000000000 87.620 *19 Sb 0.50000000000000 0.00000000000000 0.00000000000000 121.760 20 Sb 0.50000000000000 0.50000000000000 0.50000000000000 121.760 *21 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 22 Sb 0.50000000000000 0.00000000000000 0.50000000000000 121.760-------------------------------- unit cell ---------------------------------Lattice vectors: a 7.494387230000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.405162130000003 0.000000000000000 c 0.000000000000000 0.000000000000000 7.715619690000000Atomic positions (fractional): *1 O 0.79488982642155 0.11871841003684 0.06723935039102 15.999 > 1 2 O 0.29488982642155 0.38128158996316 0.43276064960898 15.999 > 2 3 O 0.20511017357845 0.38128158996316 0.06723935039102 15.999 > 3 4 O 0.20511017357845 0.61871841003684 0.93276064960898 15.999 > 4 5 O 0.70511017357845 0.38128158996316 0.43276064960898 15.999 > 5 6 O 0.20511017357845 0.11871841003684 0.06723935039102 15.999 > 6 7 O 0.29488982642155 0.11871841003684 0.43276064960898 15.999 > 7 8 O 0.29488982642155 0.88128158996316 0.56723935039102 15.999 > 8 *9 O 0.00000000000000 0.25000000000000 0.34876979062126 15.999 > 9 10 O 0.50000000000000 0.25000000000000 0.15123020937874 15.999 > 10 *11 O 0.00000000000000 0.09205673604175 0.78049716096171 15.999 > 11 12 O 0.50000000000000 0.40794326395825 0.71950283903829 15.999 > 12 13 O 0.00000000000000 0.40794326395825 0.78049716096171 15.999 > 13 14 O 0.50000000000000 0.09205673604175 0.71950283903829 15.999 > 14 15 O 0.29488982642155 0.61871841003684 0.56723935039102 15.999 > 1 16 O 0.79488982642155 0.88128158996316 0.93276064960898 15.999 > 2 17 O 0.70511017357845 0.88128158996316 0.56723935039102 15.999 > 3 18 O 0.70511017357845 0.11871841003684 0.43276064960898 15.999 > 4 19 O 0.20511017357845 0.88128158996316 0.93276064960898 15.999 > 5 20 O 0.70511017357845 0.61871841003684 0.56723935039102 15.999 > 6 21 O 0.79488982642155 0.61871841003684 0.93276064960898 15.999 > 7 22 O 0.79488982642155 0.38128158996316 0.06723935039102 15.999 > 8 23 O 0.50000000000000 0.75000000000000 0.84876979062126 15.999 > 9 24 O 0.00000000000000 0.75000000000000 0.65123020937874 15.999 > 10 25 O 0.50000000000000 0.59205673604175 0.28049716096171 15.999 > 11 26 O 0.00000000000000 0.90794326395825 0.21950283903829 15.999 > 12 27 O 0.50000000000000 0.90794326395825 0.28049716096171 15.999 > 13 28 O 0.00000000000000 0.59205673604175 0.21950283903829 15.999 > 14 *29 Sr 0.75000000000000 0.25000000000000 0.75000000000000 87.620 > 15 30 Sr 0.25000000000000 0.25000000000000 0.75000000000000 87.620 > 16 *31 Sr 0.00000000000000 0.00000000000000 0.50000000000000 87.620 > 17 32 Sr 0.50000000000000 0.00000000000000 0.00000000000000 87.620 > 18 33 Sr 0.25000000000000 0.75000000000000 0.25000000000000 87.620 > 15 34 Sr 0.75000000000000 0.75000000000000 0.25000000000000 87.620 > 16 35 Sr 0.50000000000000 0.50000000000000 0.00000000000000 87.620 > 17 36 Sr 0.00000000000000 0.50000000000000 0.50000000000000 87.620 > 18 *37 Sb 0.25000000000000 0.75000000000000 0.75000000000000 121.760 > 19 38 Sb 0.25000000000000 0.25000000000000 0.25000000000000 121.760 > 20 *39 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 > 21 40 Sb 0.00000000000000 0.50000000000000 0.00000000000000 121.760 > 22 41 Sb 0.75000000000000 0.25000000000000 0.25000000000000 121.760 > 19 42 Sb 0.75000000000000 0.75000000000000 0.75000000000000 121.760 > 20 43 Sb 0.50000000000000 0.50000000000000 0.50000000000000 121.760 > 21 44 Sb 0.50000000000000 0.00000000000000 0.50000000000000 121.760 > 22-------------------------------- super cell --------------------------------Lattice vectors: a 14.988774460000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.405162130000003 0.000000000000000 c 0.000000000000000 0.000000000000000 7.715619690000000Atomic positions (fractional): *1 O 0.39744491321077 0.11871841003684 0.06723935039102 15.999 > 1 2 O 0.89744491321077 0.11871841003684 0.06723935039102 15.999 > 1 3 O 0.14744491321077 0.38128158996316 0.43276064960898 15.999 > 2 4 O 0.64744491321077 0.38128158996316 0.43276064960898 15.999 > 2 5 O 0.10255508678923 0.38128158996316 0.06723935039102 15.999 > 3 6 O 0.60255508678923 0.38128158996316 0.06723935039102 15.999 > 3 7 O 0.10255508678923 0.61871841003684 0.93276064960898 15.999 > 4 8 O 0.60255508678923 0.61871841003684 0.93276064960898 15.999 > 4 9 O 0.35255508678923 0.38128158996316 0.43276064960898 15.999 > 5 10 O 0.85255508678923 0.38128158996316 0.43276064960898 15.999 > 5 11 O 0.10255508678923 0.11871841003684 0.06723935039102 15.999 > 6 12 O 0.60255508678923 0.11871841003684 0.06723935039102 15.999 > 6 13 O 0.14744491321077 0.11871841003684 0.43276064960898 15.999 > 7 14 O 0.64744491321077 0.11871841003684 0.43276064960898 15.999 > 7 15 O 0.14744491321077 0.88128158996316 0.56723935039102 15.999 > 8 16 O 0.64744491321077 0.88128158996316 0.56723935039102 15.999 > 8 *17 O 0.00000000000000 0.25000000000000 0.34876979062126 15.999 > 9 18 O 0.50000000000000 0.25000000000000 0.34876979062126 15.999 > 9 19 O 0.25000000000000 0.25000000000000 0.15123020937874 15.999 > 10 20 O 0.75000000000000 0.25000000000000 0.15123020937874 15.999 > 10 *21 O 0.00000000000000 0.09205673604175 0.78049716096171 15.999 > 11 22 O 0.50000000000000 0.09205673604175 0.78049716096171 15.999 > 11 23 O 0.25000000000000 0.40794326395825 0.71950283903829 15.999 > 12 24 O 0.75000000000000 0.40794326395825 0.71950283903829 15.999 > 12 25 O 0.00000000000000 0.40794326395825 0.78049716096171 15.999 > 13 26 O 0.50000000000000 0.40794326395825 0.78049716096171 15.999 > 13 27 O 0.25000000000000 0.09205673604175 0.71950283903829 15.999 > 14 28 O 0.75000000000000 0.09205673604175 0.71950283903829 15.999 > 14 29 O 0.14744491321077 0.61871841003684 0.56723935039102 15.999 > 1 30 O 0.64744491321077 0.61871841003684 0.56723935039102 15.999 > 1 31 O 0.39744491321077 0.88128158996316 0.93276064960898 15.999 > 2 32 O 0.89744491321077 0.88128158996316 0.93276064960898 15.999 > 2 33 O 0.35255508678923 0.88128158996316 0.56723935039102 15.999 > 3 34 O 0.85255508678923 0.88128158996316 0.56723935039102 15.999 > 3 35 O 0.35255508678923 0.11871841003684 0.43276064960898 15.999 > 4 36 O 0.85255508678923 0.11871841003684 0.43276064960898 15.999 > 4 37 O 0.10255508678923 0.88128158996316 0.93276064960898 15.999 > 5 38 O 0.60255508678923 0.88128158996316 0.93276064960898 15.999 > 5 39 O 0.35255508678923 0.61871841003684 0.56723935039102 15.999 > 6 40 O 0.85255508678923 0.61871841003684 0.56723935039102 15.999 > 6 41 O 0.39744491321077 0.61871841003684 0.93276064960898 15.999 > 7 42 O 0.89744491321077 0.61871841003684 0.93276064960898 15.999 > 7 43 O 0.39744491321077 0.38128158996316 0.06723935039102 15.999 > 8 44 O 0.89744491321077 0.38128158996316 0.06723935039102 15.999 > 8 45 O 0.25000000000000 0.75000000000000 0.84876979062126 15.999 > 9 46 O 0.75000000000000 0.75000000000000 0.84876979062126 15.999 > 9 47 O 0.00000000000000 0.75000000000000 0.65123020937874 15.999 > 10 48 O 0.50000000000000 0.75000000000000 0.65123020937874 15.999 > 10 49 O 0.25000000000000 0.59205673604175 0.28049716096171 15.999 > 11 50 O 0.75000000000000 0.59205673604175 0.28049716096171 15.999 > 11 51 O 0.00000000000000 0.90794326395825 0.21950283903829 15.999 > 12 52 O 0.50000000000000 0.90794326395825 0.21950283903829 15.999 > 12 53 O 0.25000000000000 0.90794326395825 0.28049716096171 15.999 > 13 54 O 0.75000000000000 0.90794326395825 0.28049716096171 15.999 > 13 55 O 0.00000000000000 0.59205673604175 0.21950283903829 15.999 > 14 56 O 0.50000000000000 0.59205673604175 0.21950283903829 15.999 > 14 *57 Sr 0.37500000000000 0.25000000000000 0.75000000000000 87.620 > 15 58 Sr 0.87500000000000 0.25000000000000 0.75000000000000 87.620 > 15 59 Sr 0.12500000000000 0.25000000000000 0.75000000000000 87.620 > 16 60 Sr 0.62500000000000 0.25000000000000 0.75000000000000 87.620 > 16 *61 Sr 0.00000000000000 0.00000000000000 0.50000000000000 87.620 > 17 62 Sr 0.50000000000000 0.00000000000000 0.50000000000000 87.620 > 17 63 Sr 0.25000000000000 0.00000000000000 0.00000000000000 87.620 > 18 64 Sr 0.75000000000000 0.00000000000000 0.00000000000000 87.620 > 18 65 Sr 0.12500000000000 0.75000000000000 0.25000000000000 87.620 > 15 66 Sr 0.62500000000000 0.75000000000000 0.25000000000000 87.620 > 15 67 Sr 0.37500000000000 0.75000000000000 0.25000000000000 87.620 > 16 68 Sr 0.87500000000000 0.75000000000000 0.25000000000000 87.620 > 16 69 Sr 0.25000000000000 0.50000000000000 0.00000000000000 87.620 > 17 70 Sr 0.75000000000000 0.50000000000000 0.00000000000000 87.620 > 17 71 Sr 0.00000000000000 0.50000000000000 0.50000000000000 87.620 > 18 72 Sr 0.50000000000000 0.50000000000000 0.50000000000000 87.620 > 18 *73 Sb 0.12500000000000 0.75000000000000 0.75000000000000 121.760 > 19 74 Sb 0.62500000000000 0.75000000000000 0.75000000000000 121.760 > 19 75 Sb 0.12500000000000 0.25000000000000 0.25000000000000 121.760 > 20 76 Sb 0.62500000000000 0.25000000000000 0.25000000000000 121.760 > 20 *77 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 > 21 78 Sb 0.50000000000000 0.00000000000000 0.00000000000000 121.760 > 21 79 Sb 0.00000000000000 0.50000000000000 0.00000000000000 121.760 > 22 80 Sb 0.50000000000000 0.50000000000000 0.00000000000000 121.760 > 22 81 Sb 0.37500000000000 0.25000000000000 0.25000000000000 121.760 > 19 82 Sb 0.87500000000000 0.25000000000000 0.25000000000000 121.760 > 19 83 Sb 0.37500000000000 0.75000000000000 0.75000000000000 121.760 > 20 84 Sb 0.87500000000000 0.75000000000000 0.75000000000000 121.760 > 20 85 Sb 0.25000000000000 0.50000000000000 0.50000000000000 121.760 > 21 86 Sb 0.75000000000000 0.50000000000000 0.50000000000000 121.760 > 21 87 Sb 0.25000000000000 0.00000000000000 0.50000000000000 121.760 > 22 88 Sb 0.75000000000000 0.00000000000000 0.50000000000000 121.760 > 22----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.1235858 0.0000000 0.0000000 0.0000000 4.0727272 0.0000000 0.0000000 0.0000000 4.0411599-------------------------- Born effective charges -------------------------- 1 O -2.1310021 0.5327797 0.2626163 0.5624234 -2.3186807 -0.6365123 0.2652858 -0.6446844 -1.9587536 2 O -2.1310021 -0.5327797 -0.2626163 -0.5624234 -2.3186807 -0.6365123 -0.2652858 -0.6446844 -1.9587536 3 O -2.1310021 0.5327797 -0.2626163 0.5624234 -2.3186807 0.6365123 -0.2652858 0.6446844 -1.9587536 4 O -2.1310021 -0.5327797 0.2626163 -0.5624234 -2.3186807 0.6365123 0.2652858 0.6446844 -1.9587536 5 O -2.1310021 0.5327797 0.2626163 0.5624234 -2.3186807 -0.6365123 0.2652858 -0.6446844 -1.9587536 6 O -2.1310021 -0.5327797 -0.2626163 -0.5624234 -2.3186807 -0.6365123 -0.2652858 -0.6446844 -1.9587536 7 O -2.1310021 0.5327797 -0.2626163 0.5624234 -2.3186807 0.6365123 -0.2652858 0.6446844 -1.9587536 8 O -2.1310021 -0.5327797 0.2626163 -0.5624234 -2.3186807 0.6365123 0.2652858 0.6446844 -1.9587536 9 O -3.2713637 0.0000000 0.0000000 0.0000000 -1.6223950 0.0000000 0.0000000 0.0000000 -1.6356326 10 O -3.2713637 0.0000000 0.0000000 0.0000000 -1.6223950 0.0000000 0.0000000 0.0000000 -1.6356326 11 O -1.8117989 0.0000000 0.0000000 0.0000000 -2.0227711 0.2593411 0.0000000 0.2382837 -2.5183411 12 O -1.8117989 0.0000000 0.0000000 0.0000000 -2.0227711 0.2593411 0.0000000 0.2382837 -2.5183411 13 O -1.8117989 0.0000000 0.0000000 0.0000000 -2.0227711 -0.2593411 0.0000000 -0.2382837 -2.5183411 14 O -1.8117989 0.0000000 0.0000000 0.0000000 -2.0227711 -0.2593411 0.0000000 -0.2382837 -2.5183411 15 Sr 2.5189060 0.0000000 0.3795944 0.0000000 2.6695522 0.0000000 0.5860359 0.0000000 2.5751156 16 Sr 2.5189060 0.0000000 -0.3795944 0.0000000 2.6695522 0.0000000 -0.5860359 0.0000000 2.5751156 17 Sr 2.6671884 0.0000000 0.0000000 0.0000000 2.2174761 -0.1244972 0.0000000 -0.0347108 2.8806648 18 Sr 2.6671884 0.0000000 0.0000000 0.0000000 2.2174761 0.1244972 0.0000000 0.0347108 2.8806648 19 Sb 5.2192309 0.0000000 -0.3346382 0.0000000 4.8966663 0.0000000 -0.0797257 0.0000000 4.6876329 20 Sb 5.2192309 0.0000000 0.3346382 0.0000000 4.8966663 0.0000000 0.0797257 0.0000000 4.6876329 21 Sb 5.0136446 0.0000000 0.0000000 0.0000000 5.1589655 0.2009878 0.0000000 0.7308012 4.3639160 22 Sb 5.0136446 0.0000000 0.0000000 0.0000000 5.1589655 -0.2009878 0.0000000 -0.7308012 4.3639160----------------------------------------------------------------------------Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".-------------------------------- Symfc start -------------------------------Symfc version 1.5.4 (https://github.com/symfc/symfc)Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024)Computing [2] order force constants.Permutation basis: 264/264Permutation basis: 10830/10830Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1252Number of blocks in projector: 1252Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 260Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 238Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 196Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 186Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 186Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 186Use standard eigh solver.Tree of FC basis block matrices:- (1252, 1215), data: False|-- (186, 179), data: True|-- (186, 179), data: True|-- (186, 179), data: True|-- (196, 194), data: True|-- (238, 232), data: True|-- (260, 252), data: True-----Solver_atoms: 1 -- 88 / 88Time (Solver_compr_matrix_reshape): 0.004Solver_block: 100 / 400 - Time: 0.332Solver_block: 200 / 400 - Time: 0.339Solver_block: 300 / 400 - Time: 0.336Solver_block: 400 / 400 - Time: 0.336Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.369--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 264/264Permutation basis: 10830/10830Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1252Number of blocks in projector: 1252Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 260Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 238Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 196Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 186Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 186Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 186Use standard eigh solver.Tree of FC basis block matrices:- (1252, 1215), data: False|-- (186, 179), data: True|-- (186, 179), data: True|-- (186, 179), data: True|-- (196, 194), data: True|-- (238, 232), data: True|-- (260, 252), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-07 20:00:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 20:00:20]-------------------------Compiled with OpenMP support (max 48 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [2 1 1]Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5]Spacegroup: Imma (74)------------------------------ primitive cell ------------------------------Lattice vectors: a -3.747193615000000 5.202581065000001 3.857809845000000 b 3.747193615000000 -5.202581065000001 3.857809845000000 c 3.747193615000000 5.202581065000001 -3.857809845000000Atomic positions (fractional): 1 O 0.18595776042786 0.86212917681257 0.91360823645839 15.999 2 O 0.81404223957214 0.72765047603053 0.67617141638470 15.999 3 O 0.44852094035417 0.27234952396947 0.58639176354161 15.999 4 O 0.55147905964583 0.13787082318744 0.82382858361530 15.999 5 O 0.81404223957214 0.13787082318744 0.08639176354161 15.999 6 O 0.18595776042786 0.27234952396947 0.32382858361530 15.999 7 O 0.55147905964583 0.72765047603053 0.41360823645839 15.999 8 O 0.44852094035417 0.86212917681256 0.17617141638470 15.999 9 O 0.59876979062126 0.34876979062126 0.25000000000000 15.999 10 O 0.40123020937874 0.65123020937874 0.75000000000000 15.999 11 O 0.87255389700346 0.78049716096171 0.09205673604175 15.999 12 O 0.12744610299654 0.21950283903829 0.90794326395825 15.999 13 O 0.18844042491996 0.78049716096171 0.40794326395825 15.999 14 O 0.81155957508004 0.21950283903829 0.59205673604175 15.999 15 Sr 0.00000000000000 0.50000000000000 0.00000000000000 87.620 16 Sr 0.00000000000000 0.00000000000000 0.50000000000000 87.620 17 Sr 0.50000000000000 0.50000000000000 0.00000000000000 87.620 18 Sr 0.00000000000000 0.50000000000000 0.50000000000000 87.620 19 Sb 0.50000000000000 0.00000000000000 0.00000000000000 121.760 20 Sb 0.50000000000000 0.50000000000000 0.50000000000000 121.760 21 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 22 Sb 0.50000000000000 0.00000000000000 0.50000000000000 121.760-------------------------------- supercell ---------------------------------Lattice vectors: a 14.988774460000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.405162130000003 0.000000000000000 c 0.000000000000000 0.000000000000000 7.715619690000000Atomic positions (fractional): 1 O 0.39744491321077 0.11871841003684 0.06723935039102 15.999 > 1 2 O 0.89744491321077 0.11871841003684 0.06723935039102 15.999 > 1 3 O 0.14744491321077 0.38128158996316 0.43276064960898 15.999 > 3 4 O 0.64744491321077 0.38128158996316 0.43276064960898 15.999 > 3 5 O 0.10255508678923 0.38128158996316 0.06723935039102 15.999 > 5 6 O 0.60255508678923 0.38128158996316 0.06723935039102 15.999 > 5 7 O 0.10255508678923 0.61871841003684 0.93276064960898 15.999 > 7 8 O 0.60255508678923 0.61871841003684 0.93276064960898 15.999 > 7 9 O 0.35255508678923 0.38128158996316 0.43276064960898 15.999 > 9 10 O 0.85255508678923 0.38128158996316 0.43276064960898 15.999 > 9 11 O 0.10255508678923 0.11871841003684 0.06723935039102 15.999 > 11 12 O 0.60255508678923 0.11871841003684 0.06723935039102 15.999 > 11 13 O 0.14744491321077 0.11871841003684 0.43276064960898 15.999 > 13 14 O 0.64744491321077 0.11871841003684 0.43276064960898 15.999 > 13 15 O 0.14744491321077 0.88128158996316 0.56723935039102 15.999 > 15 16 O 0.64744491321077 0.88128158996316 0.56723935039102 15.999 > 15 17 O 0.00000000000000 0.25000000000000 0.34876979062126 15.999 > 17 18 O 0.50000000000000 0.25000000000000 0.34876979062126 15.999 > 17 19 O 0.25000000000000 0.25000000000000 0.15123020937874 15.999 > 19 20 O 0.75000000000000 0.25000000000000 0.15123020937874 15.999 > 19 21 O 0.00000000000000 0.09205673604175 0.78049716096171 15.999 > 21 22 O 0.50000000000000 0.09205673604175 0.78049716096171 15.999 > 21 23 O 0.25000000000000 0.40794326395825 0.71950283903829 15.999 > 23 24 O 0.75000000000000 0.40794326395825 0.71950283903829 15.999 > 23 25 O 0.00000000000000 0.40794326395825 0.78049716096171 15.999 > 25 26 O 0.50000000000000 0.40794326395825 0.78049716096171 15.999 > 25 27 O 0.25000000000000 0.09205673604175 0.71950283903829 15.999 > 27 28 O 0.75000000000000 0.09205673604175 0.71950283903829 15.999 > 27 29 O 0.14744491321077 0.61871841003684 0.56723935039102 15.999 > 1 30 O 0.64744491321077 0.61871841003684 0.56723935039102 15.999 > 1 31 O 0.39744491321077 0.88128158996316 0.93276064960898 15.999 > 3 32 O 0.89744491321077 0.88128158996316 0.93276064960898 15.999 > 3 33 O 0.35255508678923 0.88128158996316 0.56723935039102 15.999 > 5 34 O 0.85255508678923 0.88128158996316 0.56723935039102 15.999 > 5 35 O 0.35255508678923 0.11871841003684 0.43276064960898 15.999 > 7 36 O 0.85255508678923 0.11871841003684 0.43276064960898 15.999 > 7 37 O 0.10255508678923 0.88128158996316 0.93276064960898 15.999 > 9 38 O 0.60255508678923 0.88128158996316 0.93276064960898 15.999 > 9 39 O 0.35255508678923 0.61871841003684 0.56723935039102 15.999 > 11 40 O 0.85255508678923 0.61871841003684 0.56723935039102 15.999 > 11 41 O 0.39744491321077 0.61871841003684 0.93276064960898 15.999 > 13 42 O 0.89744491321077 0.61871841003684 0.93276064960898 15.999 > 13 43 O 0.39744491321077 0.38128158996316 0.06723935039102 15.999 > 15 44 O 0.89744491321077 0.38128158996316 0.06723935039102 15.999 > 15 45 O 0.25000000000000 0.75000000000000 0.84876979062126 15.999 > 17 46 O 0.75000000000000 0.75000000000000 0.84876979062126 15.999 > 17 47 O 0.00000000000000 0.75000000000000 0.65123020937874 15.999 > 19 48 O 0.50000000000000 0.75000000000000 0.65123020937874 15.999 > 19 49 O 0.25000000000000 0.59205673604175 0.28049716096171 15.999 > 21 50 O 0.75000000000000 0.59205673604175 0.28049716096171 15.999 > 21 51 O 0.00000000000000 0.90794326395825 0.21950283903829 15.999 > 23 52 O 0.50000000000000 0.90794326395825 0.21950283903829 15.999 > 23 53 O 0.25000000000000 0.90794326395825 0.28049716096171 15.999 > 25 54 O 0.75000000000000 0.90794326395825 0.28049716096171 15.999 > 25 55 O 0.00000000000000 0.59205673604175 0.21950283903829 15.999 > 27 56 O 0.50000000000000 0.59205673604175 0.21950283903829 15.999 > 27 57 Sr 0.37500000000000 0.25000000000000 0.75000000000000 87.620 > 57 58 Sr 0.87500000000000 0.25000000000000 0.75000000000000 87.620 > 57 59 Sr 0.12500000000000 0.25000000000000 0.75000000000000 87.620 > 59 60 Sr 0.62500000000000 0.25000000000000 0.75000000000000 87.620 > 59 61 Sr 0.00000000000000 0.00000000000000 0.50000000000000 87.620 > 61 62 Sr 0.50000000000000 0.00000000000000 0.50000000000000 87.620 > 61 63 Sr 0.25000000000000 0.00000000000000 0.00000000000000 87.620 > 63 64 Sr 0.75000000000000 0.00000000000000 0.00000000000000 87.620 > 63 65 Sr 0.12500000000000 0.75000000000000 0.25000000000000 87.620 > 57 66 Sr 0.62500000000000 0.75000000000000 0.25000000000000 87.620 > 57 67 Sr 0.37500000000000 0.75000000000000 0.25000000000000 87.620 > 59 68 Sr 0.87500000000000 0.75000000000000 0.25000000000000 87.620 > 59 69 Sr 0.25000000000000 0.50000000000000 0.00000000000000 87.620 > 61 70 Sr 0.75000000000000 0.50000000000000 0.00000000000000 87.620 > 61 71 Sr 0.00000000000000 0.50000000000000 0.50000000000000 87.620 > 63 72 Sr 0.50000000000000 0.50000000000000 0.50000000000000 87.620 > 63 73 Sb 0.12500000000000 0.75000000000000 0.75000000000000 121.760 > 73 74 Sb 0.62500000000000 0.75000000000000 0.75000000000000 121.760 > 73 75 Sb 0.12500000000000 0.25000000000000 0.25000000000000 121.760 > 75 76 Sb 0.62500000000000 0.25000000000000 0.25000000000000 121.760 > 75 77 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 > 77 78 Sb 0.50000000000000 0.00000000000000 0.00000000000000 121.760 > 77 79 Sb 0.00000000000000 0.50000000000000 0.00000000000000 121.760 > 79 80 Sb 0.50000000000000 0.50000000000000 0.00000000000000 121.760 > 79 81 Sb 0.37500000000000 0.25000000000000 0.25000000000000 121.760 > 73 82 Sb 0.87500000000000 0.25000000000000 0.25000000000000 121.760 > 73 83 Sb 0.37500000000000 0.75000000000000 0.75000000000000 121.760 > 75 84 Sb 0.87500000000000 0.75000000000000 0.75000000000000 121.760 > 75 85 Sb 0.25000000000000 0.50000000000000 0.50000000000000 121.760 > 77 86 Sb 0.75000000000000 0.50000000000000 0.50000000000000 121.760 > 77 87 Sb 0.25000000000000 0.00000000000000 0.50000000000000 121.760 > 79 88 Sb 0.75000000000000 0.00000000000000 0.50000000000000 121.760 > 79----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.1235858 0.0000000 0.0000000 0.0000000 4.0727272 0.0000000 0.0000000 0.0000000 4.0411599-------------------------- Born effective charges -------------------------- 1 O -2.1310021 0.5327797 0.2626163 0.5624234 -2.3186807 -0.6365123 0.2652858 -0.6446844 -1.9587536 2 O -2.1310021 -0.5327797 -0.2626163 -0.5624234 -2.3186807 -0.6365123 -0.2652858 -0.6446844 -1.9587536 3 O -2.1310021 0.5327797 -0.2626163 0.5624234 -2.3186807 0.6365123 -0.2652858 0.6446844 -1.9587536 4 O -2.1310021 -0.5327797 0.2626163 -0.5624234 -2.3186807 0.6365123 0.2652858 0.6446844 -1.9587536 5 O -2.1310021 0.5327797 0.2626163 0.5624234 -2.3186807 -0.6365123 0.2652858 -0.6446844 -1.9587536 6 O -2.1310021 -0.5327797 -0.2626163 -0.5624234 -2.3186807 -0.6365123 -0.2652858 -0.6446844 -1.9587536 7 O -2.1310021 0.5327797 -0.2626163 0.5624234 -2.3186807 0.6365123 -0.2652858 0.6446844 -1.9587536 8 O -2.1310021 -0.5327797 0.2626163 -0.5624234 -2.3186807 0.6365123 0.2652858 0.6446844 -1.9587536 9 O -3.2713637 0.0000000 0.0000000 0.0000000 -1.6223950 0.0000000 0.0000000 0.0000000 -1.6356326 10 O -3.2713637 0.0000000 0.0000000 0.0000000 -1.6223950 0.0000000 0.0000000 0.0000000 -1.6356326 11 O -1.8117989 0.0000000 0.0000000 0.0000000 -2.0227711 0.2593411 0.0000000 0.2382837 -2.5183411 12 O -1.8117989 0.0000000 0.0000000 0.0000000 -2.0227711 0.2593411 0.0000000 0.2382837 -2.5183411 13 O -1.8117989 0.0000000 0.0000000 0.0000000 -2.0227711 -0.2593411 0.0000000 -0.2382837 -2.5183411 14 O -1.8117989 0.0000000 0.0000000 0.0000000 -2.0227711 -0.2593411 0.0000000 -0.2382837 -2.5183411 15 Sr 2.5189060 0.0000000 0.3795944 0.0000000 2.6695522 0.0000000 0.5860359 0.0000000 2.5751156 16 Sr 2.5189060 0.0000000 -0.3795944 0.0000000 2.6695522 0.0000000 -0.5860359 0.0000000 2.5751156 17 Sr 2.6671884 0.0000000 0.0000000 0.0000000 2.2174761 -0.1244972 0.0000000 -0.0347108 2.8806648 18 Sr 2.6671884 0.0000000 0.0000000 0.0000000 2.2174761 0.1244972 0.0000000 0.0347108 2.8806648 19 Sb 5.2192309 0.0000000 -0.3346382 0.0000000 4.8966663 0.0000000 -0.0797257 0.0000000 4.6876329 20 Sb 5.2192309 0.0000000 0.3346382 0.0000000 4.8966663 0.0000000 0.0797257 0.0000000 4.6876329 21 Sb 5.0136446 0.0000000 0.0000000 0.0000000 5.1589655 0.2009878 0.0000000 0.7308012 4.3639160 22 Sb 5.0136446 0.0000000 0.0000000 0.0000000 5.1589655 -0.2009878 0.0000000 -0.7308012 4.3639160----------------------------------------------------------------------------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[ 21, 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[ 57, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 61, 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[ 73, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 77, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: 0.00000000 (yyx) 0.00000000 (yyx) 0.00000000 (yxy)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 20:00:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 20:00:37]-------------------------Compiled with OpenMP support (max 48 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [2 1 1]Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5]Spacegroup: Imma (74)------------------------------ primitive cell ------------------------------Lattice vectors: a -3.747193615000000 5.202581065000001 3.857809845000000 b 3.747193615000000 -5.202581065000001 3.857809845000000 c 3.747193615000000 5.202581065000001 -3.857809845000000Atomic positions (fractional): 1 O 0.18595776042786 0.86212917681257 0.91360823645839 15.999 2 O 0.81404223957214 0.72765047603053 0.67617141638470 15.999 3 O 0.44852094035417 0.27234952396947 0.58639176354161 15.999 4 O 0.55147905964583 0.13787082318744 0.82382858361530 15.999 5 O 0.81404223957214 0.13787082318744 0.08639176354161 15.999 6 O 0.18595776042786 0.27234952396947 0.32382858361530 15.999 7 O 0.55147905964583 0.72765047603053 0.41360823645839 15.999 8 O 0.44852094035417 0.86212917681256 0.17617141638470 15.999 9 O 0.59876979062126 0.34876979062126 0.25000000000000 15.999 10 O 0.40123020937874 0.65123020937874 0.75000000000000 15.999 11 O 0.87255389700346 0.78049716096171 0.09205673604175 15.999 12 O 0.12744610299654 0.21950283903829 0.90794326395825 15.999 13 O 0.18844042491996 0.78049716096171 0.40794326395825 15.999 14 O 0.81155957508004 0.21950283903829 0.59205673604175 15.999 15 Sr 0.00000000000000 0.50000000000000 0.00000000000000 87.620 16 Sr 0.00000000000000 0.00000000000000 0.50000000000000 87.620 17 Sr 0.50000000000000 0.50000000000000 0.00000000000000 87.620 18 Sr 0.00000000000000 0.50000000000000 0.50000000000000 87.620 19 Sb 0.50000000000000 0.00000000000000 0.00000000000000 121.760 20 Sb 0.50000000000000 0.50000000000000 0.50000000000000 121.760 21 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 22 Sb 0.50000000000000 0.00000000000000 0.50000000000000 121.760-------------------------------- supercell ---------------------------------Lattice vectors: a 14.988774460000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.405162130000003 0.000000000000000 c 0.000000000000000 0.000000000000000 7.715619690000000Atomic positions (fractional): 1 O 0.39744491321077 0.11871841003684 0.06723935039102 15.999 > 1 2 O 0.89744491321077 0.11871841003684 0.06723935039102 15.999 > 1 3 O 0.14744491321077 0.38128158996316 0.43276064960898 15.999 > 3 4 O 0.64744491321077 0.38128158996316 0.43276064960898 15.999 > 3 5 O 0.10255508678923 0.38128158996316 0.06723935039102 15.999 > 5 6 O 0.60255508678923 0.38128158996316 0.06723935039102 15.999 > 5 7 O 0.10255508678923 0.61871841003684 0.93276064960898 15.999 > 7 8 O 0.60255508678923 0.61871841003684 0.93276064960898 15.999 > 7 9 O 0.35255508678923 0.38128158996316 0.43276064960898 15.999 > 9 10 O 0.85255508678923 0.38128158996316 0.43276064960898 15.999 > 9 11 O 0.10255508678923 0.11871841003684 0.06723935039102 15.999 > 11 12 O 0.60255508678923 0.11871841003684 0.06723935039102 15.999 > 11 13 O 0.14744491321077 0.11871841003684 0.43276064960898 15.999 > 13 14 O 0.64744491321077 0.11871841003684 0.43276064960898 15.999 > 13 15 O 0.14744491321077 0.88128158996316 0.56723935039102 15.999 > 15 16 O 0.64744491321077 0.88128158996316 0.56723935039102 15.999 > 15 17 O 0.00000000000000 0.25000000000000 0.34876979062126 15.999 > 17 18 O 0.50000000000000 0.25000000000000 0.34876979062126 15.999 > 17 19 O 0.25000000000000 0.25000000000000 0.15123020937874 15.999 > 19 20 O 0.75000000000000 0.25000000000000 0.15123020937874 15.999 > 19 21 O 0.00000000000000 0.09205673604175 0.78049716096171 15.999 > 21 22 O 0.50000000000000 0.09205673604175 0.78049716096171 15.999 > 21 23 O 0.25000000000000 0.40794326395825 0.71950283903829 15.999 > 23 24 O 0.75000000000000 0.40794326395825 0.71950283903829 15.999 > 23 25 O 0.00000000000000 0.40794326395825 0.78049716096171 15.999 > 25 26 O 0.50000000000000 0.40794326395825 0.78049716096171 15.999 > 25 27 O 0.25000000000000 0.09205673604175 0.71950283903829 15.999 > 27 28 O 0.75000000000000 0.09205673604175 0.71950283903829 15.999 > 27 29 O 0.14744491321077 0.61871841003684 0.56723935039102 15.999 > 1 30 O 0.64744491321077 0.61871841003684 0.56723935039102 15.999 > 1 31 O 0.39744491321077 0.88128158996316 0.93276064960898 15.999 > 3 32 O 0.89744491321077 0.88128158996316 0.93276064960898 15.999 > 3 33 O 0.35255508678923 0.88128158996316 0.56723935039102 15.999 > 5 34 O 0.85255508678923 0.88128158996316 0.56723935039102 15.999 > 5 35 O 0.35255508678923 0.11871841003684 0.43276064960898 15.999 > 7 36 O 0.85255508678923 0.11871841003684 0.43276064960898 15.999 > 7 37 O 0.10255508678923 0.88128158996316 0.93276064960898 15.999 > 9 38 O 0.60255508678923 0.88128158996316 0.93276064960898 15.999 > 9 39 O 0.35255508678923 0.61871841003684 0.56723935039102 15.999 > 11 40 O 0.85255508678923 0.61871841003684 0.56723935039102 15.999 > 11 41 O 0.39744491321077 0.61871841003684 0.93276064960898 15.999 > 13 42 O 0.89744491321077 0.61871841003684 0.93276064960898 15.999 > 13 43 O 0.39744491321077 0.38128158996316 0.06723935039102 15.999 > 15 44 O 0.89744491321077 0.38128158996316 0.06723935039102 15.999 > 15 45 O 0.25000000000000 0.75000000000000 0.84876979062126 15.999 > 17 46 O 0.75000000000000 0.75000000000000 0.84876979062126 15.999 > 17 47 O 0.00000000000000 0.75000000000000 0.65123020937874 15.999 > 19 48 O 0.50000000000000 0.75000000000000 0.65123020937874 15.999 > 19 49 O 0.25000000000000 0.59205673604175 0.28049716096171 15.999 > 21 50 O 0.75000000000000 0.59205673604175 0.28049716096171 15.999 > 21 51 O 0.00000000000000 0.90794326395825 0.21950283903829 15.999 > 23 52 O 0.50000000000000 0.90794326395825 0.21950283903829 15.999 > 23 53 O 0.25000000000000 0.90794326395825 0.28049716096171 15.999 > 25 54 O 0.75000000000000 0.90794326395825 0.28049716096171 15.999 > 25 55 O 0.00000000000000 0.59205673604175 0.21950283903829 15.999 > 27 56 O 0.50000000000000 0.59205673604175 0.21950283903829 15.999 > 27 57 Sr 0.37500000000000 0.25000000000000 0.75000000000000 87.620 > 57 58 Sr 0.87500000000000 0.25000000000000 0.75000000000000 87.620 > 57 59 Sr 0.12500000000000 0.25000000000000 0.75000000000000 87.620 > 59 60 Sr 0.62500000000000 0.25000000000000 0.75000000000000 87.620 > 59 61 Sr 0.00000000000000 0.00000000000000 0.50000000000000 87.620 > 61 62 Sr 0.50000000000000 0.00000000000000 0.50000000000000 87.620 > 61 63 Sr 0.25000000000000 0.00000000000000 0.00000000000000 87.620 > 63 64 Sr 0.75000000000000 0.00000000000000 0.00000000000000 87.620 > 63 65 Sr 0.12500000000000 0.75000000000000 0.25000000000000 87.620 > 57 66 Sr 0.62500000000000 0.75000000000000 0.25000000000000 87.620 > 57 67 Sr 0.37500000000000 0.75000000000000 0.25000000000000 87.620 > 59 68 Sr 0.87500000000000 0.75000000000000 0.25000000000000 87.620 > 59 69 Sr 0.25000000000000 0.50000000000000 0.00000000000000 87.620 > 61 70 Sr 0.75000000000000 0.50000000000000 0.00000000000000 87.620 > 61 71 Sr 0.00000000000000 0.50000000000000 0.50000000000000 87.620 > 63 72 Sr 0.50000000000000 0.50000000000000 0.50000000000000 87.620 > 63 73 Sb 0.12500000000000 0.75000000000000 0.75000000000000 121.760 > 73 74 Sb 0.62500000000000 0.75000000000000 0.75000000000000 121.760 > 73 75 Sb 0.12500000000000 0.25000000000000 0.25000000000000 121.760 > 75 76 Sb 0.62500000000000 0.25000000000000 0.25000000000000 121.760 > 75 77 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 > 77 78 Sb 0.50000000000000 0.00000000000000 0.00000000000000 121.760 > 77 79 Sb 0.00000000000000 0.50000000000000 0.00000000000000 121.760 > 79 80 Sb 0.50000000000000 0.50000000000000 0.00000000000000 121.760 > 79 81 Sb 0.37500000000000 0.25000000000000 0.25000000000000 121.760 > 73 82 Sb 0.87500000000000 0.25000000000000 0.25000000000000 121.760 > 73 83 Sb 0.37500000000000 0.75000000000000 0.75000000000000 121.760 > 75 84 Sb 0.87500000000000 0.75000000000000 0.75000000000000 121.760 > 75 85 Sb 0.25000000000000 0.50000000000000 0.50000000000000 121.760 > 77 86 Sb 0.75000000000000 0.50000000000000 0.50000000000000 121.760 > 77 87 Sb 0.25000000000000 0.00000000000000 0.50000000000000 121.760 > 79 88 Sb 0.75000000000000 0.00000000000000 0.50000000000000 121.760 > 79----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 4.1235858 0.0000000 0.0000000 0.0000000 4.0727272 0.0000000 0.0000000 0.0000000 4.0411599-------------------------- Born effective charges -------------------------- 1 O -2.1310021 0.5327797 0.2626163 0.5624234 -2.3186807 -0.6365123 0.2652858 -0.6446844 -1.9587536 2 O -2.1310021 -0.5327797 -0.2626163 -0.5624234 -2.3186807 -0.6365123 -0.2652858 -0.6446844 -1.9587536 3 O -2.1310021 0.5327797 -0.2626163 0.5624234 -2.3186807 0.6365123 -0.2652858 0.6446844 -1.9587536 4 O -2.1310021 -0.5327797 0.2626163 -0.5624234 -2.3186807 0.6365123 0.2652858 0.6446844 -1.9587536 5 O -2.1310021 0.5327797 0.2626163 0.5624234 -2.3186807 -0.6365123 0.2652858 -0.6446844 -1.9587536 6 O -2.1310021 -0.5327797 -0.2626163 -0.5624234 -2.3186807 -0.6365123 -0.2652858 -0.6446844 -1.9587536 7 O -2.1310021 0.5327797 -0.2626163 0.5624234 -2.3186807 0.6365123 -0.2652858 0.6446844 -1.9587536 8 O -2.1310021 -0.5327797 0.2626163 -0.5624234 -2.3186807 0.6365123 0.2652858 0.6446844 -1.9587536 9 O -3.2713637 0.0000000 0.0000000 0.0000000 -1.6223950 0.0000000 0.0000000 0.0000000 -1.6356326 10 O -3.2713637 0.0000000 0.0000000 0.0000000 -1.6223950 0.0000000 0.0000000 0.0000000 -1.6356326 11 O -1.8117989 0.0000000 0.0000000 0.0000000 -2.0227711 0.2593411 0.0000000 0.2382837 -2.5183411 12 O -1.8117989 0.0000000 0.0000000 0.0000000 -2.0227711 0.2593411 0.0000000 0.2382837 -2.5183411 13 O -1.8117989 0.0000000 0.0000000 0.0000000 -2.0227711 -0.2593411 0.0000000 -0.2382837 -2.5183411 14 O -1.8117989 0.0000000 0.0000000 0.0000000 -2.0227711 -0.2593411 0.0000000 -0.2382837 -2.5183411 15 Sr 2.5189060 0.0000000 0.3795944 0.0000000 2.6695522 0.0000000 0.5860359 0.0000000 2.5751156 16 Sr 2.5189060 0.0000000 -0.3795944 0.0000000 2.6695522 0.0000000 -0.5860359 0.0000000 2.5751156 17 Sr 2.6671884 0.0000000 0.0000000 0.0000000 2.2174761 -0.1244972 0.0000000 -0.0347108 2.8806648 18 Sr 2.6671884 0.0000000 0.0000000 0.0000000 2.2174761 0.1244972 0.0000000 0.0347108 2.8806648 19 Sb 5.2192309 0.0000000 -0.3346382 0.0000000 4.8966663 0.0000000 -0.0797257 0.0000000 4.6876329 20 Sb 5.2192309 0.0000000 0.3346382 0.0000000 4.8966663 0.0000000 0.0797257 0.0000000 4.6876329 21 Sb 5.0136446 0.0000000 0.0000000 0.0000000 5.1589655 0.2009878 0.0000000 0.7308012 4.3639160 22 Sb 5.0136446 0.0000000 0.0000000 0.0000000 5.1589655 -0.2009878 0.0000000 -0.7308012 4.3639160----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000000 (yyx) 0.00000000 (yyx) 0.00000000 (yxy)Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... Generalized regular grid: [ 1 1 420 ]Grid generation matrix: [ 0 7 7 ] [ 5 0 5 ] [ 6 6 0 ]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: 0.62, Number of G-points: 303, Lambda: 0.13Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/84) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.714 ( 0.000 0.000 0.000) 0.000 1.858 ( 0.000 0.000 0.000) 0.000 2.446 ( 0.000 0.000 0.000) 0.000 2.945 ( 0.000 0.000 0.000) 0.000 3.246 ( 0.000 0.000 0.000) 0.000 3.296 ( 0.000 0.000 0.000) 0.000 3.325 ( 0.000 0.000 0.000) 0.000 3.448 ( 0.000 0.000 0.000) 0.000 3.877 ( 0.000 0.000 0.000) 0.000 3.977 ( 0.000 0.000 0.000) 0.000 4.280 ( 0.000 0.000 0.000) 0.000 4.676 ( 0.000 0.000 0.000) 0.000 4.758 ( 0.000 0.000 0.000) 0.000 4.830 ( 0.000 0.000 0.000) 0.000 4.855 ( 0.000 0.000 0.000) 0.000 5.380 ( 0.000 0.000 0.000) 0.000 5.695 ( 0.000 0.000 0.000) 0.000 5.902 ( 0.000 0.000 0.000) 0.000 6.349 ( 0.000 0.000 0.000) 0.000 6.397 ( 0.000 0.000 0.000) 0.000 6.528 ( 0.000 0.000 0.000) 0.000 6.583 ( 0.000 0.000 0.000) 0.000 6.650 ( 0.000 0.000 0.000) 0.000 7.987 ( 0.000 0.000 0.000) 0.000 8.099 ( 0.000 0.000 0.000) 0.000 8.243 ( 0.000 0.000 0.000) 0.000 8.340 ( 0.000 0.000 0.000) 0.000 8.550 ( 0.000 0.000 0.000) 0.000 8.766 ( 0.000 0.000 0.000) 0.000 9.485 ( 0.000 0.000 0.000) 0.000 9.539 ( 0.000 0.000 0.000) 0.000 9.542 ( 0.000 0.000 0.000) 0.000 9.848 ( 0.000 0.000 0.000) 0.000 10.003 ( 0.000 0.000 0.000) 0.000 10.019 ( 0.000 0.000 0.000) 0.000 10.532 ( 0.000 0.000 0.000) 0.000 10.825 ( 0.000 0.000 0.000) 0.000 11.107 ( 0.000 0.000 0.000) 0.000 11.155 ( 0.000 0.000 0.000) 0.000 11.305 ( 0.000 0.000 0.000) 0.000 11.919 ( 0.000 0.000 0.000) 0.000 12.249 ( 0.000 0.000 0.000) 0.000 12.278 ( 0.000 0.000 0.000) 0.000 12.668 ( 0.000 0.000 0.000) 0.000 12.738 ( 0.000 0.000 0.000) 0.000 13.037 ( 0.000 0.000 0.000) 0.000 13.418 ( 0.000 0.000 0.000) 0.000 13.439 ( 0.000 0.000 0.000) 0.000 13.474 ( 0.000 0.000 0.000) 0.000 16.762 ( 0.000 0.000 0.000) 0.000 17.062 ( 0.000 0.000 0.000) 0.000 17.583 ( 0.000 0.000 0.000) 0.000 18.377 ( 0.000 0.000 0.000) 0.000 18.889 ( 0.000 0.000 0.000) 0.000 19.119 ( 0.000 0.000 0.000) 0.000 19.229 ( 0.000 0.000 0.000) 0.000 19.516 ( 0.000 0.000 0.000) 0.000 20.015 ( 0.000 0.000 0.000) 0.000 20.314 ( 0.000 0.000 0.000) 0.000 21.416 ( 0.000 0.000 0.000) 0.000 22.089 ( 0.000 0.000 0.000) 0.000 22.515 ( 0.000 0.000 0.000) 0.000 22.667 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/84) =======================q-point: ( 0.60 -0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.877 ( 2.592 -1.679 0.559) 3.139 1.925 ( -0.025 6.152 -1.155) 6.259 2.413 ( -7.758 -0.408 5.586) 9.569 2.552 ( -8.774 10.493 8.972) 16.358 2.654 ( 9.591 -1.884 9.526) 13.649 2.907 ( 15.551 7.805 6.395) 18.537 3.086 ( -4.914 -15.497 0.958) 16.286 3.362 ( 2.431 2.430 -7.453) 8.207 3.854 ( -3.653 3.589 3.752) 6.349 3.933 ( -2.109 -3.729 -0.824) 4.363 4.057 ( -4.784 -0.952 -1.230) 5.030 4.208 ( -3.837 -0.977 -1.788) 4.344 4.451 ( -1.122 6.750 -8.002) 10.529 4.589 ( 2.841 8.440 -1.813) 9.088 4.683 ( -0.322 4.757 -2.120) 5.218 4.722 ( -1.748 -6.343 0.740) 6.621 4.845 ( -0.826 13.969 1.145) 14.040 4.989 ( 14.173 -4.691 5.649) 15.962 5.536 ( -0.379 -3.173 1.413) 3.494 5.594 ( -10.960 -0.578 3.278) 11.454 5.731 ( 2.653 0.471 6.518) 7.053 5.937 ( 9.267 2.761 4.692) 10.748 6.393 ( 3.565 -10.245 -1.712) 10.982 6.457 ( -5.581 2.051 -1.020) 6.032 6.726 ( 4.550 -8.905 -1.369) 10.094 6.894 ( 1.850 8.304 5.761) 10.275 7.196 ( -5.445 -2.781 -3.221) 6.911 7.367 ( 2.819 5.294 2.472) 6.487 8.278 ( -5.939 -6.378 -10.516) 13.658 8.344 ( -4.138 -4.382 -8.697) 10.581 8.783 ( 1.846 -6.496 0.425) 6.766 9.021 ( 7.353 11.334 -12.610) 18.481 9.247 ( -4.824 -14.457 8.205) 17.309 9.508 ( -4.842 2.111 2.398) 5.801 9.734 ( -3.138 -0.027 4.424) 5.424 9.823 ( -4.564 -0.776 1.925) 5.014 9.985 ( 7.338 5.908 3.733) 10.133 10.187 ( 12.168 7.116 0.027) 14.096 10.704 ( -2.221 -2.147 -7.691) 8.288 10.809 ( 2.874 2.526 -6.585) 7.616 11.115 ( -6.388 4.538 0.714) 7.868 11.240 ( 12.912 -4.546 0.625) 13.703 11.657 ( -0.009 -7.635 3.290) 8.313 11.803 ( -1.240 8.006 3.620) 8.873 12.092 ( -4.899 -0.269 -2.936) 5.718 12.144 ( 1.766 -1.588 -2.894) 3.744 12.597 ( -7.491 -8.679 -1.736) 11.596 12.782 ( -3.656 1.839 -4.540) 6.112 13.115 ( -1.203 2.804 7.855) 8.427 13.222 ( 7.952 1.068 3.011) 8.570 13.985 ( -9.999 -17.629 -3.258) 20.527 14.418 ( 0.661 15.001 -5.325) 15.932 17.521 ( -2.082 -5.247 1.460) 5.831 17.601 ( -2.461 2.947 0.840) 3.930 17.874 ( 0.529 1.549 0.048) 1.638 17.902 ( 4.258 1.554 2.090) 4.991 18.667 ( 3.579 -11.355 -8.678) 14.732 18.911 ( 0.138 18.569 -4.355) 19.073 19.647 ( -9.164 0.227 8.901) 12.777 19.847 ( 8.117 2.729 8.134) 11.811 20.165 ( -17.771 -14.456 -4.990) 23.446 20.612 ( 11.937 -1.777 -0.083) 12.068 21.986 ( -3.461 0.903 -3.655) 5.114 22.198 ( 10.052 5.694 3.165) 11.978 22.749 ( -3.704 -5.091 0.485) 6.314 22.899 ( 1.591 4.738 -0.166) 5.000======================= Grid point 2 (3/84) =======================q-point: ( 0.20 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 211Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.664 ( 12.146 1.717 24.866) 27.727 1.798 ( 22.106 13.238 18.469) 31.702 1.936 ( -3.823 0.167 4.619) 5.998 2.091 ( 5.705 0.155 5.998) 8.279 2.516 ( -0.876 7.577 0.031) 7.628 2.867 ( 13.263 16.583 28.366) 35.433 3.057 ( 5.542 -1.145 -1.436) 5.839 3.325 ( -4.929 5.217 2.754) 7.687 3.416 ( 6.996 -8.928 1.814) 11.486 3.566 ( -1.351 -4.884 3.652) 6.246 3.671 ( 9.154 2.724 -0.942) 9.597 3.905 ( 1.516 3.743 8.336) 9.263 4.265 ( -0.682 2.145 2.721) 3.531 4.374 ( 6.248 -2.048 2.887) 7.181 4.620 ( -2.133 -1.267 -2.468) 3.500 4.662 ( -2.770 -7.015 5.908) 9.581 4.942 ( -1.421 11.580 4.233) 12.411 5.158 ( 8.116 13.722 4.576) 16.586 5.622 ( -5.208 -3.103 -2.622) 6.605 5.887 ( -9.096 -1.552 0.987) 9.280 5.977 ( -7.325 0.037 -2.633) 7.784 6.168 ( -4.803 -6.062 0.412) 7.745 6.288 ( 4.086 -8.408 -3.260) 9.900 6.437 ( 3.778 -3.992 -5.424) 7.722 6.667 ( -1.878 9.058 5.120) 10.573 6.739 ( 0.535 6.252 -1.791) 6.525 7.705 ( -1.968 -6.526 -6.130) 9.168 7.818 ( -3.165 -7.802 -0.560) 8.438 8.059 ( -4.158 -5.212 -12.548) 14.210 8.359 ( -0.483 13.860 -6.855) 15.470 8.637 ( 6.696 -6.929 2.967) 10.082 8.948 ( -2.041 0.853 -0.135) 2.216 9.468 ( -4.008 -1.399 -1.065) 4.377 9.571 ( -0.261 1.920 -2.300) 3.008 9.807 ( 4.029 6.233 -4.484) 8.672 9.861 ( 0.004 -9.845 2.867) 10.254 10.180 ( -2.846 1.746 6.766) 7.545 10.349 ( -1.524 15.279 -5.853) 16.433 10.550 ( -5.527 -0.328 -1.478) 5.730 10.619 ( -3.034 5.300 3.523) 7.051 11.067 ( -6.233 -6.834 1.340) 9.346 11.304 ( -2.954 2.381 -0.529) 3.831 11.487 ( 2.739 4.394 6.578) 8.371 11.978 ( -1.471 -0.530 -0.636) 1.688 12.053 ( 9.365 -1.919 -15.398) 18.124 12.122 ( 1.740 -6.740 0.070) 6.961 12.508 ( 4.823 -0.630 -7.808) 9.199 12.774 ( 1.059 -2.789 -1.875) 3.524 13.243 ( 0.702 -0.328 5.221) 5.278 13.381 ( 4.280 0.378 -4.197) 6.006 13.546 ( 1.975 2.398 2.123) 3.763 14.506 ( -2.568 -6.186 -0.688) 6.733 16.978 ( 12.248 -1.909 2.935) 12.739 17.522 ( 1.023 12.182 11.381) 16.702 17.591 ( 1.621 1.799 2.729) 3.649 18.149 ( -0.962 -5.683 -8.624) 10.373 18.615 ( -17.217 6.787 -2.418) 18.664 19.356 ( 9.975 2.950 -5.300) 11.675 19.487 ( -1.669 0.043 -0.270) 1.691 20.016 ( 0.028 -14.925 -3.853) 15.414 20.215 ( 0.003 -0.953 6.391) 6.462 21.161 ( -8.437 0.282 -4.251) 9.452 21.571 ( 6.042 -11.415 -3.962) 13.509 22.382 ( -4.660 9.577 3.611) 11.246 22.658 ( 1.657 0.054 1.011) 1.942 22.825 ( 1.153 1.849 4.260) 4.785======================= Grid point 3 (4/84) =======================q-point: (-0.21 -0.29 0.01)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.914 ( 4.073 -0.139 -2.384) 4.722 2.043 ( 1.221 6.815 -3.715) 7.858 2.372 ( -4.115 -6.322 -4.521) 8.794 2.553 ( -10.677 -5.557 -9.057) 15.063 2.680 ( -14.817 -6.413 -13.404) 20.984 3.000 ( -0.688 1.482 6.361) 6.568 3.209 ( 6.285 -4.214 -2.851) 8.086 3.352 ( 0.928 0.970 6.143) 6.288 3.561 ( -7.139 -0.188 0.831) 7.190 3.741 ( -4.499 -1.865 -0.212) 4.875 3.896 ( -12.580 8.436 -14.674) 21.089 4.089 ( -3.928 -3.930 -3.411) 6.520 4.317 ( 3.327 15.015 -4.517) 16.029 4.550 ( -8.049 1.243 3.226) 8.760 4.732 ( -0.123 -8.486 -4.977) 9.838 4.850 ( -5.646 6.821 -5.380) 10.361 5.013 ( -1.666 -0.396 -8.216) 8.393 5.165 ( 3.083 -6.183 5.901) 9.086 5.654 ( 9.806 -1.383 -1.117) 9.966 5.679 ( -2.634 -8.911 -2.119) 9.531 5.795 ( 5.900 -2.561 -0.917) 6.497 6.062 ( 5.584 4.839 -0.103) 7.389 6.265 ( -0.380 10.325 1.036) 10.384 6.350 ( -3.569 4.444 8.490) 10.226 6.705 ( -3.020 -9.987 2.785) 10.799 6.855 ( 2.294 -9.219 -6.552) 11.540 7.584 ( -1.438 2.894 3.152) 4.514 7.616 ( 8.602 5.654 11.204) 15.215 7.800 ( -0.758 7.410 1.104) 7.530 8.169 ( 5.015 -8.104 4.947) 10.737 8.759 ( 2.122 3.006 -6.054) 7.084 8.906 ( 2.103 4.804 0.172) 5.247 9.298 ( 4.656 -9.896 5.543) 12.261 9.499 ( -2.998 1.267 4.579) 5.618 9.731 ( -6.637 -11.928 8.592) 16.129 9.930 ( 1.890 9.502 -4.968) 10.888 10.189 ( 6.274 -0.881 -1.328) 6.473 10.349 ( -1.779 4.835 -2.329) 5.654 10.426 ( 4.451 -1.268 -0.652) 4.674 10.730 ( 6.032 -7.622 -12.380) 15.739 11.118 ( 3.867 5.136 -5.905) 8.729 11.196 ( 0.866 1.282 3.897) 4.193 11.635 ( -3.036 -3.660 -1.589) 5.014 11.918 ( -0.054 -0.170 1.172) 1.185 11.954 ( -4.385 -0.329 2.725) 5.173 12.151 ( -0.499 6.811 3.135) 7.514 12.419 ( -0.319 -6.728 4.045) 7.857 12.759 ( -6.823 4.318 5.105) 9.553 13.321 ( 3.060 0.379 -3.698) 4.815 13.372 ( -3.802 1.708 3.376) 5.364 13.612 ( -3.870 -6.558 1.714) 7.805 14.418 ( 3.092 4.956 -0.581) 5.870 17.338 ( -14.953 4.126 -3.397) 15.880 17.617 ( -0.318 -2.200 -3.019) 3.749 17.855 ( -0.063 -3.203 -6.663) 7.393 17.952 ( -0.015 -1.602 2.684) 3.126 18.270 ( 13.180 -8.973 1.403) 16.006 19.278 ( 7.003 6.740 2.121) 9.948 19.514 ( -9.926 -7.927 2.940) 13.039 19.989 ( -6.835 12.762 5.873) 15.623 20.269 ( 2.405 2.295 -0.156) 3.328 20.870 ( 9.998 -2.510 5.186) 11.539 21.692 ( -4.957 3.671 -3.844) 7.268 22.368 ( 6.530 -4.765 -4.075) 9.052 22.709 ( -4.386 1.484 1.644) 4.913 22.914 ( -0.067 0.032 -2.687) 2.688======================= Grid point 4 (5/84) =======================q-point: (-0.61 0.28 0.01)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 211Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.921 ( -1.673 -4.360 -0.360) 4.684 1.954 ( -2.902 -3.132 -0.969) 4.378 2.330 ( 10.455 -4.709 -6.934) 13.400 2.693 ( 4.395 -9.384 -10.146) 14.503 2.869 ( 5.994 -1.867 4.020) 7.455 3.005 ( 1.127 7.186 0.949) 7.336 3.152 ( 1.582 4.928 -1.268) 5.329 3.359 ( -9.617 2.543 1.260) 10.027 3.673 ( 18.085 5.097 0.246) 18.792 3.694 ( 9.488 -9.774 4.897) 14.475 3.941 ( 6.762 -5.085 4.721) 9.689 4.131 ( -2.169 -11.291 6.214) 13.069 4.212 ( 2.240 -3.566 -3.032) 5.189 4.512 ( 8.912 -7.837 -2.845) 12.204 4.606 ( 3.977 2.284 2.237) 5.102 4.754 ( -4.143 -4.455 -12.258) 13.685 5.087 ( -13.329 0.706 1.810) 13.470 5.377 ( 2.690 -3.841 0.506) 4.716 5.474 ( -11.523 5.740 -3.383) 13.311 5.728 ( -4.221 6.082 -6.493) 9.847 5.902 ( -2.563 -4.659 -2.649) 5.941 6.064 ( 1.042 -3.164 -0.864) 3.441 6.115 ( 9.588 -0.998 3.476) 10.248 6.393 ( 0.004 2.147 14.936) 15.089 6.801 ( 1.364 9.559 -4.577) 10.686 7.042 ( 2.563 -1.015 -2.704) 3.862 7.256 ( -9.764 2.981 -9.836) 14.176 7.493 ( -4.020 -1.766 -2.215) 4.918 7.857 ( 5.518 2.306 12.130) 13.524 8.251 ( -3.488 8.853 -0.540) 9.531 8.862 ( -4.299 0.661 -0.261) 4.357 8.891 ( -6.674 -8.899 12.228) 16.531 9.377 ( -0.037 7.450 -3.001) 8.032 9.446 ( 2.492 8.080 -4.982) 9.814 9.749 ( 5.183 6.949 -6.782) 11.007 9.811 ( 1.617 -8.897 0.883) 9.085 10.162 ( -7.381 -5.503 0.330) 9.212 10.342 ( -5.291 0.148 2.595) 5.895 10.576 ( -1.579 5.469 4.824) 7.461 10.902 ( -10.746 -7.683 -5.168) 14.185 10.977 ( 3.162 -9.059 4.810) 10.734 11.296 ( -3.408 3.783 8.584) 9.981 11.714 ( 2.109 1.522 -2.097) 3.341 11.917 ( 0.050 -2.220 -3.399) 4.060 11.982 ( 1.444 2.774 3.328) 4.567 12.003 ( 3.115 0.852 2.528) 4.102 12.511 ( 3.432 9.011 -1.356) 9.737 12.630 ( 5.759 -0.996 -0.764) 5.894 13.254 ( 0.113 -1.708 -4.208) 4.543 13.373 ( -3.461 -0.074 0.660) 3.524 13.705 ( 11.693 8.040 -0.750) 14.210 14.360 ( -3.715 -6.110 2.539) 7.588 17.315 ( 13.279 -4.458 2.571) 14.241 17.646 ( 2.371 -1.014 -2.517) 3.603 17.861 ( -3.109 3.757 4.006) 6.311 18.025 ( -3.047 -4.634 -3.459) 6.536 18.592 ( -5.987 12.720 4.719) 14.829 19.031 ( -14.341 -11.549 -0.671) 18.426 19.570 ( 17.597 3.053 -5.451) 18.673 19.801 ( 8.839 5.868 1.728) 10.750 20.138 ( -3.981 -1.661 -7.145) 8.346 20.868 ( -13.632 2.860 -0.648) 13.944 21.739 ( 10.150 -3.607 7.372) 13.053 22.464 ( -11.616 -2.403 -0.780) 11.888 22.664 ( 5.412 1.810 -0.292) 5.714 22.918 ( -0.076 -2.394 -0.522) 2.451======================= Grid point 5 (6/84) =======================q-point: (-0.01 -0.15 0.01)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 126Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.090 ( -25.374 0.000 -24.284) 35.121 1.147 ( -26.688 0.000 -26.324) 37.486 1.711 ( -36.562 0.000 -35.406) 50.896 1.861 ( 0.930 0.000 -4.551) 4.645 1.995 ( -6.752 0.000 -10.009) 12.073 2.444 ( -0.679 -0.000 1.144) 1.331 3.056 ( -7.939 0.000 -0.884) 7.988 3.247 ( 5.194 -0.000 1.707) 5.467 3.421 ( 3.393 0.000 -7.742) 8.453 3.508 ( -11.324 0.000 -6.801) 13.209 3.602 ( -13.316 0.000 -0.807) 13.340 3.762 ( 7.576 -0.000 -3.171) 8.213 4.108 ( 6.932 -0.000 -2.908) 7.517 4.406 ( -4.792 0.000 -3.266) 5.799 4.724 ( -2.031 0.000 -1.920) 2.795 4.782 ( 5.976 -0.000 0.162) 5.978 4.786 ( -0.778 -0.000 4.164) 4.236 4.877 ( -7.123 0.000 -1.563) 7.293 5.601 ( -2.326 0.000 -11.272) 11.510 5.780 ( 21.213 -0.000 -9.150) 23.102 5.863 ( 3.476 -0.000 -3.555) 4.972 6.264 ( 4.924 -0.000 4.244) 6.500 6.451 ( 2.867 -0.000 4.689) 5.496 6.505 ( -0.565 0.000 -1.273) 1.393 6.618 ( 5.553 -0.000 0.493) 5.575 6.660 ( -6.459 0.000 2.148) 6.807 7.891 ( 5.579 -0.000 4.005) 6.868 8.045 ( -1.092 -0.000 4.626) 4.754 8.122 ( 10.799 -0.000 -0.426) 10.808 8.432 ( -4.817 -0.000 11.448) 12.420 8.905 ( -1.294 0.000 -2.508) 2.822 8.947 ( -20.077 0.000 18.391) 27.227 9.466 ( 8.397 -0.000 -0.761) 8.431 9.589 ( -3.976 0.000 0.512) 4.009 9.919 ( 1.201 -0.000 6.457) 6.567 9.920 ( 0.052 0.000 -10.198) 10.198 9.975 ( 0.989 -0.000 1.512) 1.806 10.076 ( -3.007 0.000 -5.290) 6.085 10.456 ( 9.739 -0.000 -2.473) 10.048 10.735 ( -0.020 -0.000 8.335) 8.335 11.124 ( 6.176 -0.000 -0.637) 6.209 11.234 ( 2.291 0.000 -7.088) 7.449 11.326 ( -2.030 0.000 -0.711) 2.151 11.954 ( -0.915 0.000 -1.073) 1.410 12.204 ( 4.517 -0.000 0.296) 4.527 12.526 ( -9.646 -0.000 21.796) 23.835 12.657 ( -0.749 -0.000 5.146) 5.201 12.928 ( -13.871 0.000 10.582) 17.447 13.124 ( -2.326 0.000 -3.026) 3.816 13.445 ( 2.502 0.000 -3.179) 4.045 13.450 ( -5.092 0.000 2.253) 5.568 14.759 ( -7.670 -0.000 14.583) 16.477 16.927 ( -12.417 0.000 -3.325) 12.855 17.156 ( -1.574 0.000 -7.223) 7.392 17.585 ( -1.260 0.000 0.813) 1.500 18.347 ( -0.392 -0.000 3.487) 3.509 18.629 ( 12.729 -0.000 9.154) 15.679 19.423 ( -10.977 0.000 1.778) 11.120 19.505 ( 0.770 -0.000 1.042) 1.296 20.054 ( 1.505 0.000 -6.243) 6.422 20.260 ( 1.802 -0.000 2.221) 2.860 21.203 ( 16.024 -0.000 -6.777) 17.398 21.787 ( 6.867 -0.000 0.759) 6.909 22.136 ( -0.369 0.000 -3.525) 3.544 22.613 ( -3.789 0.000 -3.625) 5.244 22.717 ( -2.431 0.000 -2.205) 3.282======================= Grid point 6 (7/84) =======================q-point: (-0.41 0.41 0.01)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 123Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.785 ( 6.068 -8.560 -0.000) 10.493 1.936 ( 2.086 2.967 0.000) 3.626 2.238 ( 17.661 -8.104 -0.000) 19.431 2.252 ( 14.278 -4.520 -0.000) 14.976 2.632 ( -0.473 5.546 0.000) 5.566 2.779 ( -16.716 2.857 0.000) 16.958 3.204 ( -8.390 -14.604 -0.000) 16.843 3.382 ( 3.927 11.838 0.000) 12.473 3.796 ( 0.325 -11.368 -0.000) 11.373 3.988 ( 9.717 11.314 -0.000) 14.914 4.117 ( 8.987 -2.756 -0.000) 9.400 4.170 ( -7.767 -5.053 0.000) 9.266 4.207 ( 25.997 -15.455 -0.000) 30.244 4.323 ( 15.438 -12.652 -0.000) 19.959 4.738 ( 0.965 -0.682 -0.000) 1.182 4.785 ( 3.673 5.213 0.000) 6.377 4.971 ( 1.608 3.902 0.000) 4.220 4.976 ( -17.341 4.547 0.000) 17.927 5.306 ( 6.959 -1.169 -0.000) 7.057 5.650 ( 8.888 -1.314 -0.000) 8.985 5.738 ( -8.445 -0.651 0.000) 8.470 5.923 ( -18.993 10.725 0.000) 21.811 6.296 ( 4.558 -10.117 -0.000) 11.097 6.588 ( -3.744 0.620 0.000) 3.796 6.676 ( 0.290 -8.371 -0.000) 8.376 6.857 ( 0.575 3.024 0.000) 3.078 7.207 ( 1.357 6.392 0.000) 6.535 7.456 ( -9.203 8.258 0.000) 12.365 8.414 ( -0.019 -3.276 -0.000) 3.276 8.585 ( -4.493 10.106 0.000) 11.060 8.841 ( -4.701 -21.055 -0.000) 21.573 9.098 ( 5.869 13.016 0.000) 14.278 9.303 ( -9.450 -6.846 0.000) 11.669 9.329 ( 5.745 9.960 0.000) 11.498 9.776 ( -7.239 -6.482 0.000) 9.717 9.804 ( 7.385 9.773 0.000) 12.249 9.976 ( 8.838 8.536 -0.000) 12.286 10.019 ( -14.216 -8.734 0.000) 16.684 10.864 ( 3.733 3.348 -0.000) 5.015 10.882 ( 2.022 -0.800 -0.000) 2.175 10.962 ( 4.411 -10.293 -0.000) 11.198 11.208 ( -6.234 -1.701 0.000) 6.462 11.562 ( 3.641 -8.712 -0.000) 9.442 11.825 ( -3.414 9.139 0.000) 9.756 12.082 ( 4.223 -2.092 -0.000) 4.713 12.316 ( -11.075 8.862 0.000) 14.184 12.793 ( 7.086 8.371 -0.000) 10.968 12.815 ( -10.254 -6.790 0.000) 12.298 12.985 ( 11.185 3.937 -0.000) 11.857 13.145 ( -10.487 -1.627 0.000) 10.613 14.137 ( -2.171 -18.380 -0.000) 18.508 14.439 ( 6.691 22.433 0.000) 23.410 17.478 ( 1.211 -10.425 -0.000) 10.495 17.579 ( 7.103 -4.700 -0.000) 8.517 17.656 ( 9.381 0.715 -0.000) 9.408 18.070 ( -13.826 10.418 0.000) 17.311 18.684 ( 5.118 -9.271 -0.000) 10.590 19.076 ( -4.536 19.102 0.000) 19.634 19.573 ( 7.552 2.418 -0.000) 7.929 19.670 ( -6.454 -4.161 0.000) 7.679 20.396 ( 10.999 2.458 -0.000) 11.270 20.597 ( -19.690 -7.615 0.000) 21.111 21.998 ( 5.587 0.273 -0.000) 5.594 22.088 ( -3.964 -0.207 0.000) 3.970 22.778 ( -0.397 -7.106 -0.000) 7.117 22.850 ( 4.090 4.698 -0.000) 6.228======================= Grid point 7 (8/84) =======================q-point: ( 0.18 -0.02 0.02)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.972 ( -0.000 20.737 23.676) 31.473 1.021 ( -0.000 29.143 18.908) 34.740 1.789 ( -0.000 26.681 33.736) 43.011 1.913 ( 0.000 0.909 3.550) 3.665 1.940 ( -0.000 12.535 16.643) 20.835 2.565 ( -0.000 9.109 -3.533) 9.770 2.990 ( -0.000 1.375 0.410) 1.434 3.308 ( 0.000 -1.443 0.383) 1.493 3.353 ( 0.000 -1.466 -0.284) 1.493 3.475 ( -0.000 4.042 4.491) 6.042 3.618 ( -0.000 10.684 7.914) 13.296 3.723 ( 0.000 -10.176 -3.034) 10.619 4.289 ( 0.000 -2.390 -0.241) 2.402 4.291 ( -0.000 4.923 3.850) 6.250 4.560 ( 0.000 -12.177 6.833) 13.963 4.730 ( 0.000 -3.211 -2.505) 4.072 4.890 ( -0.000 6.247 1.879) 6.523 4.954 ( -0.000 10.125 3.032) 10.570 5.683 ( 0.000 -1.346 6.012) 6.161 5.840 ( -0.000 3.160 5.562) 6.396 5.953 ( -0.000 1.927 4.722) 5.100 6.307 ( 0.000 -5.198 -3.498) 6.265 6.462 ( 0.000 -8.221 -3.342) 8.875 6.474 ( -0.000 -0.889 -7.537) 7.589 6.599 ( -0.000 2.517 0.014) 2.517 7.013 ( -0.000 11.025 -19.918) 22.766 7.817 ( 0.000 -13.941 -2.499) 14.163 7.902 ( 0.000 -7.221 -3.620) 8.078 8.365 ( 0.000 -8.088 -9.784) 12.694 8.375 ( 0.000 -2.437 5.373) 5.900 8.480 ( -0.000 18.506 -4.443) 19.031 8.929 ( -0.000 3.773 3.889) 5.419 9.506 ( 0.000 -3.936 0.108) 3.938 9.582 ( -0.000 2.718 0.896) 2.862 9.659 ( 0.000 -8.589 11.457) 14.319 9.833 ( 0.000 -4.867 -0.532) 4.896 10.090 ( -0.000 5.274 4.806) 7.136 10.584 ( -0.000 3.911 1.706) 4.267 10.681 ( -0.000 8.163 -12.657) 15.061 10.724 ( -0.000 6.499 -10.744) 12.556 11.291 ( -0.000 4.337 6.847) 8.105 11.318 ( -0.000 1.262 0.489) 1.353 11.460 ( -0.000 17.238 -24.831) 30.228 12.004 ( -0.000 5.857 -3.830) 6.998 12.098 ( 0.000 -3.717 -9.185) 9.908 12.157 ( 0.000 -9.177 -1.772) 9.346 12.606 ( 0.000 -5.112 -6.100) 7.958 12.729 ( 0.000 0.316 3.730) 3.744 13.114 ( 0.000 -0.851 4.551) 4.630 13.385 ( 0.000 -1.132 -0.938) 1.470 13.474 ( 0.000 0.187 2.763) 2.769 14.393 ( 0.000 -15.853 16.728) 23.046 16.826 ( -0.000 4.206 -0.400) 4.225 17.259 ( -0.000 11.386 9.236) 14.661 17.575 ( -0.000 -0.054 -0.452) 0.455 18.337 ( 0.000 -3.430 -9.766) 10.351 18.904 ( -0.000 1.892 -0.764) 2.041 19.279 ( -0.000 3.989 -1.895) 4.416 19.426 ( 0.000 -2.600 6.710) 7.196 20.012 ( 0.000 -6.752 7.964) 10.441 20.151 ( 0.000 -12.452 -3.867) 13.039 21.340 ( 0.000 -2.086 -3.401) 3.990 21.680 ( 0.000 -6.210 -12.568) 14.019 22.399 ( -0.000 9.415 2.409) 9.718 22.593 ( -0.000 3.729 2.618) 4.556 22.715 ( 0.000 0.504 4.468) 4.497======================= Grid point 8 (9/84) =======================q-point: (-0.22 0.55 0.02)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 211Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.878 ( 3.267 -0.018 -0.470) 3.301 2.027 ( 2.917 6.942 -0.083) 7.530 2.411 ( 0.478 -8.097 1.698) 8.287 2.765 ( -0.899 -11.767 0.342) 11.806 2.842 ( 1.657 2.427 7.710) 8.251 2.929 ( 9.540 0.969 11.155) 14.710 3.168 ( -1.168 0.343 -7.415) 7.514 3.246 ( -5.736 6.557 -1.576) 8.853 3.689 ( -0.494 -10.997 -1.034) 11.057 3.849 ( -2.324 -5.021 -4.158) 6.921 4.125 ( 0.707 2.476 1.577) 3.020 4.217 ( -1.706 7.980 -3.494) 8.877 4.424 ( 3.675 3.423 0.124) 5.023 4.579 ( 4.343 4.455 -1.856) 6.492 4.708 ( -2.031 4.458 -0.113) 4.900 4.850 ( -1.459 5.173 4.661) 7.114 5.017 ( 5.975 -2.291 4.692) 7.935 5.362 ( 11.171 4.638 -2.536) 12.358 5.387 ( 3.907 3.380 11.022) 12.173 5.489 ( -13.119 -2.001 -6.681) 14.857 5.830 ( 4.651 -7.323 -3.387) 9.313 6.060 ( 3.617 -4.999 4.806) 7.821 6.277 ( -0.718 3.946 -0.384) 4.029 6.447 ( -7.193 -1.172 -0.156) 7.290 6.526 ( 3.861 -9.190 3.297) 10.499 6.941 ( 1.248 -7.748 -4.002) 8.809 7.289 ( -5.412 10.648 8.595) 14.715 7.587 ( 0.124 6.655 1.948) 6.935 7.952 ( -3.679 -3.424 -7.687) 9.184 8.085 ( -2.116 -3.007 -5.259) 6.417 8.831 ( 0.532 3.650 3.099) 4.817 8.877 ( 4.199 2.826 -10.182) 11.371 9.151 ( -2.260 -10.159 5.278) 11.669 9.532 ( -8.779 -0.635 2.732) 9.216 9.711 ( -7.936 -9.137 5.636) 13.350 9.970 ( 5.311 9.277 -4.623) 11.647 10.147 ( 5.267 4.915 -4.769) 8.640 10.314 ( 4.824 5.115 5.746) 9.080 10.462 ( 0.856 -2.511 -7.994) 8.423 10.751 ( 11.392 -3.681 -5.641) 13.234 11.091 ( 4.052 -1.043 -0.771) 4.255 11.182 ( -2.855 0.624 1.232) 3.172 11.636 ( 1.051 -4.723 3.786) 6.144 11.915 ( 0.743 0.382 -0.935) 1.254 12.078 ( -3.665 3.872 0.600) 5.365 12.122 ( -4.489 4.579 -3.735) 7.421 12.396 ( -3.561 -8.717 -0.603) 9.435 12.818 ( -7.901 3.287 2.412) 8.891 13.279 ( 5.166 0.458 0.719) 5.236 13.334 ( -0.868 4.624 5.147) 6.973 13.667 ( -5.584 -11.884 0.253) 13.133 14.484 ( -0.024 8.063 -8.074) 11.411 17.531 ( -2.595 -0.595 3.806) 4.645 17.681 ( -2.062 -3.278 5.286) 6.553 17.725 ( 3.973 -2.454 -1.066) 4.790 18.033 ( 3.733 4.401 -3.762) 6.888 18.241 ( 2.010 -7.855 -12.209) 14.656 19.175 ( 1.277 13.148 -2.233) 13.398 19.698 ( -5.354 -14.654 -3.508) 15.991 19.978 ( -10.154 10.067 9.467) 17.149 20.143 ( 0.813 3.444 7.421) 8.221 20.613 ( 3.440 -3.274 5.690) 7.411 21.861 ( 1.229 -1.572 -7.511) 7.772 22.291 ( 6.796 0.610 -0.628) 6.852 22.739 ( -4.083 -0.435 3.585) 5.451 22.941 ( 2.285 1.926 -1.820) 3.499======================= Grid point 9 (10/84) =======================q-point: ( 0.38 0.12 0.02)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.959 ( -2.364 -2.444 2.790) 4.398 2.007 ( -2.287 0.079 1.188) 2.579 2.253 ( 8.651 -1.262 4.670) 9.912 2.405 ( 16.432 9.904 11.693) 22.468 2.664 ( 3.520 1.811 3.203) 5.092 2.799 ( 10.406 -7.162 -5.249) 13.680 3.188 ( 8.278 -5.742 -5.122) 11.302 3.391 ( -1.019 2.125 3.393) 4.131 3.508 ( -1.075 -0.505 3.998) 4.170 3.522 ( -1.625 2.188 0.426) 2.759 3.776 ( 2.023 3.487 1.654) 4.358 4.083 ( 3.417 -5.163 -0.594) 6.220 4.253 ( 2.401 -0.012 4.628) 5.214 4.437 ( 2.892 1.946 -1.557) 3.818 4.487 ( -0.233 -6.922 1.956) 7.197 5.093 ( -4.221 15.364 11.065) 19.399 5.158 ( -6.451 5.204 -5.447) 9.918 5.331 ( -5.670 -2.408 -1.900) 6.447 5.625 ( 11.062 -0.472 3.459) 11.600 5.818 ( -9.597 -0.940 -3.700) 10.328 5.900 ( 3.733 0.744 6.949) 7.924 5.972 ( 0.474 -9.853 -2.663) 10.218 6.121 ( 1.073 -1.382 -8.039) 8.227 6.204 ( -2.529 -1.683 1.171) 3.256 6.755 ( 5.569 2.233 -1.133) 6.106 7.042 ( 0.065 6.384 3.986) 7.526 7.540 ( 1.602 0.855 -3.582) 4.016 7.639 ( -2.180 -6.793 -3.546) 7.967 7.722 ( -8.120 -1.920 -2.529) 8.718 8.440 ( -3.357 10.410 -7.878) 13.480 8.716 ( -2.018 -6.899 11.263) 13.361 8.963 ( -4.363 1.938 -0.851) 4.849 9.387 ( -0.504 -2.747 -0.569) 2.850 9.569 ( -1.506 5.002 -3.130) 6.089 9.737 ( 0.913 -8.521 2.760) 9.003 9.827 ( 4.744 6.581 -6.219) 10.222 10.253 ( -5.603 -1.938 1.768) 6.187 10.468 ( -5.779 9.925 -5.718) 12.830 10.532 ( 0.114 3.592 0.238) 3.602 10.823 ( -2.596 -4.567 6.447) 8.317 11.058 ( 0.922 -5.195 8.167) 9.723 11.305 ( -13.209 -0.139 -1.264) 13.270 11.599 ( 5.515 2.035 -0.889) 5.946 11.869 ( 5.492 1.556 0.163) 5.710 11.938 ( 3.544 -0.847 -0.600) 3.693 12.012 ( 0.634 -3.413 -2.071) 4.042 12.369 ( 10.090 0.453 -2.255) 10.349 12.712 ( -6.971 0.321 -1.777) 7.201 13.252 ( 8.088 -0.002 -2.223) 8.388 13.366 ( -2.112 -0.024 1.607) 2.653 13.603 ( 3.739 1.357 -0.524) 4.012 14.438 ( -5.172 -1.703 0.051) 5.446 16.993 ( 11.587 -2.575 2.442) 12.118 17.621 ( 0.473 -0.103 1.363) 1.446 17.903 ( -2.123 -0.840 -2.876) 3.672 18.060 ( -0.791 6.574 6.205) 9.074 18.680 ( -7.704 5.728 -1.524) 9.720 19.341 ( 6.884 4.142 -1.535) 8.180 19.388 ( -8.822 -5.603 -4.749) 11.479 19.688 ( 4.312 -5.265 -1.298) 6.928 20.291 ( -2.249 -0.494 -0.305) 2.323 21.119 ( -9.453 1.026 -1.101) 9.572 21.355 ( 14.421 -5.962 2.166) 15.754 22.559 ( 2.143 3.250 1.066) 4.037 22.661 ( -6.456 -1.344 0.469) 6.611 22.913 ( 0.814 0.810 0.664) 1.326======================= Grid point 10 (11/84) =======================q-point: (-0.02 -0.31 0.02)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 129Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.859 ( 2.634 -0.000 -2.462) 3.606 1.951 ( -15.924 0.000 -16.775) 23.129 2.001 ( -5.257 0.000 -13.819) 14.785 2.283 ( -18.895 0.000 -12.054) 22.412 2.438 ( -2.404 0.000 0.233) 2.416 3.069 ( 9.524 -0.000 -0.184) 9.526 3.150 ( -3.744 -0.000 4.904) 6.170 3.182 ( -29.184 0.000 -18.342) 34.469 3.562 ( -2.931 0.000 -8.630) 9.114 3.689 ( -1.496 0.000 -4.199) 4.457 3.887 ( -13.775 0.000 0.059) 13.775 3.958 ( 4.251 -0.000 4.235) 6.001 4.133 ( -11.540 0.000 -17.434) 20.908 4.533 ( 2.140 0.000 -4.706) 5.170 4.704 ( 2.963 0.000 -3.534) 4.611 4.751 ( -7.409 0.000 5.170) 9.035 4.972 ( -11.851 0.000 -8.483) 14.574 5.054 ( -6.430 0.000 -1.955) 6.720 5.514 ( 5.606 -0.000 9.063) 10.657 5.577 ( 13.523 -0.000 -6.426) 14.972 5.902 ( 7.477 -0.000 4.643) 8.802 6.262 ( 8.323 -0.000 3.749) 9.128 6.321 ( -2.422 0.000 -18.059) 18.221 6.456 ( 5.282 -0.000 4.545) 6.968 6.553 ( -0.891 -0.000 2.706) 2.848 6.702 ( -5.156 0.000 2.204) 5.608 7.685 ( 3.835 -0.000 3.774) 5.380 7.882 ( 12.500 -0.000 2.821) 12.814 7.957 ( -0.103 -0.000 4.729) 4.730 8.206 ( 1.858 -0.000 10.928) 11.085 8.809 ( -1.233 -0.000 5.992) 6.118 9.022 ( -3.159 0.000 0.078) 3.160 9.255 ( 10.921 -0.000 2.671) 11.243 9.637 ( -6.469 0.000 4.970) 8.158 9.752 ( -2.193 -0.000 8.241) 8.528 9.946 ( 3.093 -0.000 -2.854) 4.209 10.140 ( -0.952 0.000 -1.300) 1.611 10.261 ( 0.644 0.000 -9.968) 9.989 10.399 ( 3.477 0.000 -8.401) 9.092 10.513 ( 3.467 -0.000 7.849) 8.581 11.116 ( -1.006 0.000 -4.777) 4.882 11.184 ( 5.006 -0.000 1.906) 5.357 11.498 ( -3.420 0.000 -6.070) 6.967 11.934 ( 1.722 -0.000 0.926) 1.955 12.202 ( -2.477 -0.000 16.045) 16.235 12.216 ( -0.942 0.000 -3.639) 3.759 12.492 ( 3.109 -0.000 8.712) 9.250 12.942 ( -6.352 0.000 6.097) 8.805 13.218 ( 2.421 0.000 -5.730) 6.221 13.486 ( -5.255 0.000 3.738) 6.449 13.490 ( 2.005 0.000 -4.363) 4.801 14.564 ( -0.347 -0.000 9.008) 9.015 17.309 ( -16.412 0.000 -4.419) 16.996 17.414 ( -2.574 0.000 -11.248) 11.539 17.612 ( -1.963 0.000 -1.607) 2.537 18.214 ( 0.450 -0.000 9.343) 9.354 18.217 ( 12.675 -0.000 4.962) 13.612 19.417 ( 3.664 -0.000 2.670) 4.533 19.493 ( -5.311 0.000 5.010) 7.301 20.196 ( 1.352 0.000 -7.761) 7.878 20.210 ( -0.845 -0.000 0.955) 1.275 20.977 ( 11.804 -0.000 1.782) 11.938 21.679 ( 1.518 -0.000 1.263) 1.975 22.223 ( 0.377 0.000 -3.866) 3.885 22.748 ( -5.815 0.000 0.146) 5.817 22.828 ( -0.936 0.000 -4.151) 4.255======================= Grid point 11 (12/84) =======================q-point: (-0.43 0.26 0.03)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.701 ( 10.551 -9.783 -6.671) 15.859 1.875 ( 3.266 -4.793 -3.280) 6.662 2.012 ( 11.197 -10.463 -8.046) 17.308 2.184 ( 9.309 -8.353 -11.925) 17.281 2.707 ( -0.253 -6.956 -1.707) 7.167 3.122 ( -11.113 -1.138 -5.127) 12.291 3.229 ( 0.894 -0.666 2.950) 3.154 3.392 ( 3.160 -2.775 -1.115) 4.351 3.552 ( 24.003 -18.832 -1.493) 30.545 3.642 ( 12.227 -7.101 5.314) 15.105 3.828 ( 19.322 7.108 -3.468) 20.878 3.987 ( 5.369 -10.496 -0.315) 11.794 4.212 ( -1.995 2.083 -8.004) 8.507 4.320 ( -1.881 -8.042 2.231) 8.555 4.501 ( 1.382 -4.693 4.654) 6.753 4.669 ( 6.762 5.976 0.554) 9.041 5.005 ( 1.910 -11.027 -8.390) 13.987 5.282 ( -11.362 7.552 -1.810) 13.762 5.486 ( -5.727 1.969 -8.286) 10.263 5.548 ( 1.732 -3.571 0.532) 4.004 5.950 ( -9.042 3.638 -0.588) 9.764 6.149 ( -4.580 -3.599 4.495) 7.358 6.195 ( -1.333 7.366 2.860) 8.013 6.634 ( 2.859 -7.354 5.391) 9.556 6.669 ( -1.497 -3.602 -3.865) 5.492 6.838 ( 1.341 -4.801 -3.673) 6.191 7.337 ( -10.353 14.938 -2.040) 18.289 7.589 ( -5.295 8.974 0.127) 10.420 8.235 ( 3.308 4.708 12.384) 13.655 8.545 ( 0.804 12.715 6.800) 14.442 8.842 ( -2.709 -16.813 6.201) 18.123 8.916 ( -1.917 2.762 3.678) 4.983 9.407 ( -0.712 0.175 -2.292) 2.406 9.511 ( 1.168 12.611 -11.283) 16.962 9.685 ( 2.506 -0.345 0.597) 2.599 9.799 ( 3.235 3.816 1.212) 5.147 10.028 ( -5.841 -3.274 -4.735) 8.201 10.331 ( -15.141 -5.153 -2.110) 16.132 10.665 ( 1.581 -1.493 4.673) 5.154 10.803 ( 6.255 -1.596 0.859) 6.513 10.946 ( -11.397 -7.638 9.315) 16.583 11.365 ( -2.048 -4.708 -1.775) 5.432 11.524 ( 4.484 -6.268 -5.317) 9.363 11.907 ( -3.213 5.818 -0.788) 6.693 12.029 ( 2.489 0.905 -0.970) 2.820 12.350 ( -4.010 9.767 12.916) 16.682 12.665 ( 1.420 3.937 2.629) 4.943 12.722 ( 7.123 9.262 1.984) 11.851 13.101 ( -4.269 -2.386 -6.526) 8.156 13.346 ( -5.915 -0.268 -2.394) 6.387 13.927 ( 15.843 0.026 9.779) 18.618 14.303 ( 2.656 7.216 -3.286) 8.362 17.277 ( 12.762 -6.064 2.515) 14.352 17.598 ( 3.145 -13.278 -9.570) 16.667 17.605 ( 1.547 1.008 -1.762) 2.552 18.190 ( -4.652 9.126 9.335) 13.859 18.581 ( -6.151 -11.122 2.401) 12.934 19.172 ( -6.566 17.303 -1.819) 18.596 19.490 ( 4.503 0.999 -1.937) 5.003 19.873 ( 1.023 -1.010 -7.291) 7.431 20.146 ( 8.509 9.180 3.186) 12.916 20.924 ( -16.711 0.031 1.875) 16.816 21.847 ( 6.444 -2.354 6.773) 9.640 22.273 ( -9.699 -6.866 -5.310) 13.016 22.741 ( 5.557 3.176 1.117) 6.497 22.799 ( 0.936 -5.435 -3.092) 6.323======================= Grid point 12 (13/84) =======================q-point: ( 0.17 -0.17 0.03)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 126Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.934 ( -19.441 24.611 0.000) 31.363 0.964 ( -24.554 23.081 0.000) 33.700 1.818 ( -47.266 42.426 0.000) 63.514 1.819 ( -3.299 6.073 0.000) 6.911 1.897 ( -3.043 0.858 0.000) 3.162 2.605 ( 1.968 9.790 0.000) 9.986 3.083 ( -6.969 4.225 0.000) 8.150 3.254 ( -1.413 -0.696 0.000) 1.575 3.440 ( 0.483 7.757 0.000) 7.772 3.442 ( -4.813 7.396 0.000) 8.824 3.525 ( -13.053 -3.689 0.000) 13.564 3.891 ( 11.192 8.949 -0.000) 14.330 3.939 ( -2.216 -5.069 -0.000) 5.532 4.386 ( -8.182 2.382 0.000) 8.522 4.509 ( 0.212 -11.725 -0.000) 11.727 4.747 ( 0.155 -3.604 -0.000) 3.608 4.816 ( 4.478 1.507 -0.000) 4.724 5.029 ( -9.166 10.329 0.000) 13.809 5.522 ( 5.541 1.857 -0.000) 5.844 5.755 ( 1.437 17.852 0.000) 17.909 5.851 ( 6.423 -1.804 -0.000) 6.672 6.299 ( 4.243 -2.953 -0.000) 5.170 6.426 ( 2.296 -6.457 -0.000) 6.853 6.579 ( 4.905 -0.921 -0.000) 4.991 6.652 ( -7.267 -2.569 0.000) 7.708 6.844 ( 23.265 18.133 -0.000) 29.497 7.784 ( 5.894 -16.607 -0.000) 17.622 7.856 ( 4.632 -7.965 -0.000) 9.214 8.405 ( 4.440 8.971 0.000) 10.009 8.611 ( -3.953 5.442 0.000) 6.726 8.803 ( -7.577 -9.231 0.000) 11.942 9.018 ( -16.895 -16.473 0.000) 23.597 9.431 ( 1.354 -4.478 -0.000) 4.678 9.488 ( 1.737 -2.663 -0.000) 3.179 9.606 ( -4.457 1.435 0.000) 4.682 9.878 ( -3.485 -1.617 0.000) 3.842 9.973 ( 5.913 3.061 -0.000) 6.658 10.462 ( 10.484 3.485 -0.000) 11.048 10.730 ( 19.123 16.391 -0.000) 25.187 10.809 ( -3.265 -4.605 -0.000) 5.645 11.174 ( 0.119 6.342 0.000) 6.343 11.186 ( 18.779 12.546 -0.000) 22.584 11.340 ( -2.447 1.361 0.000) 2.800 11.953 ( -1.337 1.129 0.000) 1.750 12.131 ( 4.464 -7.422 -0.000) 8.662 12.679 ( -0.907 -2.189 -0.000) 2.370 12.728 ( -4.770 -4.912 0.000) 6.847 13.033 ( 4.679 3.828 -0.000) 6.045 13.069 ( 3.805 -18.431 -0.000) 18.820 13.406 ( 3.683 0.282 -0.000) 3.694 13.783 ( -0.746 17.228 0.000) 17.244 14.277 ( -50.564 -53.632 0.000) 73.710 16.934 ( -9.532 7.297 0.000) 12.005 17.179 ( -2.432 9.003 0.000) 9.326 17.591 ( -1.362 -0.712 0.000) 1.537 18.528 ( 4.746 5.330 -0.000) 7.136 18.770 ( 7.911 -15.398 -0.000) 17.312 19.134 ( -5.112 -3.872 0.000) 6.413 19.568 ( -8.863 5.715 0.000) 10.546 19.863 ( 5.186 -11.986 -0.000) 13.060 20.225 ( -2.662 -7.164 -0.000) 7.642 21.190 ( 18.079 9.779 -0.000) 20.554 21.892 ( 6.984 8.134 -0.000) 10.721 22.154 ( 1.593 5.802 0.000) 6.016 22.583 ( -1.851 5.434 0.000) 5.741 22.700 ( -4.575 -1.525 0.000) 4.823======================= Grid point 13 (14/84) =======================q-point: (-0.23 0.40 0.03)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.746 ( 6.249 -2.684 7.229) 9.925 1.965 ( 5.699 2.841 -1.422) 6.525 2.152 ( 17.323 -7.273 6.622) 19.921 2.367 ( 15.441 -1.761 11.623) 19.407 2.645 ( 7.299 -6.278 -1.096) 9.690 2.902 ( -10.539 0.621 0.736) 10.583 3.199 ( -5.298 10.712 10.201) 15.713 3.370 ( 0.316 -1.029 -4.736) 4.857 3.669 ( 8.803 -10.698 -6.279) 15.211 3.852 ( 34.605 -12.320 6.728) 37.344 3.940 ( -1.106 -9.389 2.808) 9.862 4.051 ( -1.146 3.280 3.035) 4.613 4.245 ( 13.012 -2.627 1.948) 13.417 4.453 ( 4.453 8.198 10.628) 14.142 4.575 ( 11.479 3.618 -11.987) 16.987 4.837 ( 2.563 3.582 -2.526) 5.078 4.971 ( -7.315 2.027 -1.442) 7.727 5.208 ( 2.448 3.145 6.399) 7.539 5.403 ( -6.377 -1.535 3.301) 7.343 5.537 ( 7.500 -5.100 1.570) 9.205 5.823 ( -0.333 -4.012 8.627) 9.521 6.008 ( -7.038 3.370 -7.343) 10.715 6.221 ( -8.159 1.528 1.954) 8.528 6.432 ( 1.264 -7.209 0.852) 7.368 6.589 ( -2.713 -5.459 1.877) 6.378 6.917 ( 7.031 0.560 -2.301) 7.420 7.423 ( -11.655 14.524 0.682) 18.635 7.595 ( -6.213 4.995 0.301) 7.978 8.188 ( -2.636 -8.843 -8.141) 12.305 8.407 ( -8.358 -7.431 -8.850) 14.261 8.814 ( -5.831 8.945 2.216) 10.905 9.032 ( 5.707 3.391 -11.931) 13.653 9.176 ( -9.060 -7.434 1.256) 11.787 9.651 ( -7.107 0.570 3.059) 7.758 9.796 ( -0.394 1.233 2.488) 2.804 9.924 ( -6.322 -1.241 9.753) 11.689 9.990 ( 5.631 8.392 0.304) 10.110 10.109 ( 8.016 4.301 -1.284) 9.187 10.657 ( 11.294 -11.775 -4.409) 16.901 10.701 ( -1.103 -0.437 -11.389) 11.451 10.976 ( 2.513 4.501 1.322) 5.322 11.212 ( -2.956 -4.259 2.402) 5.714 11.487 ( 3.033 -4.774 4.786) 7.409 11.931 ( -0.946 1.862 -1.170) 2.394 12.102 ( 1.316 1.949 3.587) 4.289 12.357 ( -11.006 5.281 -9.651) 15.561 12.621 ( -6.553 -3.594 -6.334) 9.797 12.934 ( -4.482 6.101 -0.221) 7.574 13.099 ( 6.586 1.321 3.967) 7.801 13.241 ( -5.024 2.765 6.939) 9.002 13.771 ( -1.518 -14.789 -2.331) 15.048 14.708 ( 0.238 14.437 -10.566) 17.892 17.343 ( 3.502 -7.430 6.283) 10.341 17.525 ( 11.489 -5.434 4.702) 13.552 17.669 ( 3.354 0.762 -1.699) 3.836 18.209 ( -7.896 8.950 -7.930) 14.329 18.440 ( 2.684 -4.317 -9.592) 10.856 19.352 ( -6.073 12.954 -7.884) 16.335 19.628 ( 8.500 0.351 5.756) 10.272 19.873 ( -2.797 5.349 11.894) 13.338 20.197 ( -7.637 -9.485 -3.122) 12.571 20.534 ( -12.949 -4.791 8.173) 16.044 21.946 ( 6.334 -1.561 -6.491) 9.202 22.166 ( 2.996 3.421 2.128) 5.021 22.697 ( -1.000 -4.280 4.581) 6.349 22.907 ( 4.900 2.491 -1.324) 5.654======================= Grid point 14 (15/84) =======================q-point: ( 0.37 -0.03 0.03)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 124Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.749 ( -0.000 13.722 14.683) 20.097 1.895 ( -0.000 23.769 13.241) 27.208 2.008 ( -0.000 1.347 3.247) 3.515 2.041 ( -0.000 5.473 3.002) 6.242 2.678 ( -0.000 7.385 -1.615) 7.560 2.827 ( 0.000 -10.566 -7.223) 12.799 3.152 ( 0.000 -8.068 -3.527) 8.805 3.233 ( -0.000 23.300 19.054) 30.099 3.452 ( -0.000 5.610 5.338) 7.744 3.522 ( -0.000 -0.149 -3.551) 3.554 3.695 ( -0.000 5.806 4.100) 7.108 3.955 ( 0.000 -1.379 13.797) 13.865 4.116 ( 0.000 -7.093 -4.966) 8.659 4.380 ( -0.000 4.822 -1.050) 4.935 4.573 ( 0.000 -3.363 -4.418) 5.553 4.888 ( -0.000 12.204 18.363) 22.048 5.162 ( -0.000 7.845 6.482) 10.176 5.295 ( -0.000 13.981 4.754) 14.767 5.514 ( 0.000 -9.672 -5.024) 10.899 5.840 ( 0.000 -5.042 2.911) 5.822 6.058 ( 0.000 -10.723 -4.522) 11.637 6.192 ( 0.000 -7.740 -4.495) 8.951 6.193 ( -0.000 -2.527 -14.718) 14.933 6.237 ( -0.000 8.369 -2.443) 8.719 6.764 ( -0.000 -1.019 -5.136) 5.237 6.879 ( -0.000 9.829 7.871) 12.592 7.564 ( 0.000 -8.207 -0.137) 8.208 7.688 ( 0.000 -9.211 0.138) 9.212 7.964 ( 0.000 -7.916 -10.082) 12.818 8.449 ( 0.000 -7.167 9.311) 11.750 8.711 ( -0.000 19.608 -9.443) 21.764 9.018 ( -0.000 0.941 0.555) 1.093 9.410 ( 0.000 -4.075 -0.709) 4.136 9.652 ( -0.000 4.791 -1.837) 5.131 9.677 ( 0.000 -7.540 -0.350) 7.549 9.742 ( 0.000 -6.582 8.767) 10.963 10.275 ( -0.000 2.380 3.221) 4.005 10.572 ( -0.000 0.907 -3.829) 3.935 10.623 ( 0.000 -3.184 -2.425) 4.002 10.764 ( -0.000 6.141 4.400) 7.555 11.186 ( -0.000 12.430 -21.812) 25.105 11.395 ( -0.000 3.253 2.841) 4.319 11.601 ( -0.000 6.920 8.001) 10.578 11.777 ( 0.000 -5.698 -10.481) 11.930 11.925 ( 0.000 -8.798 -1.475) 8.921 12.026 ( 0.000 -0.753 -0.400) 0.853 12.362 ( 0.000 -4.929 -5.460) 7.356 12.798 ( 0.000 -1.262 3.219) 3.457 13.124 ( 0.000 -5.110 2.988) 5.919 13.386 ( -0.000 2.605 -1.005) 2.792 13.542 ( 0.000 -0.194 2.913) 2.919 14.453 ( 0.000 -2.325 4.535) 5.096 16.870 ( -0.000 3.721 -2.277) 4.362 17.585 ( -0.000 0.744 1.188) 1.402 17.820 ( -0.000 16.437 13.325) 21.159 18.043 ( 0.000 -6.075 -6.921) 9.210 18.877 ( -0.000 -0.425 -5.061) 5.079 19.261 ( 0.000 -3.429 0.579) 3.477 19.512 ( -0.000 2.070 0.541) 2.140 19.750 ( 0.000 -14.535 -4.285) 15.153 20.153 ( 0.000 -2.621 12.578) 12.848 21.249 ( 0.000 -1.894 -1.150) 2.215 21.322 ( -0.000 0.160 -14.002) 14.003 22.525 ( -0.000 2.558 -0.161) 2.563 22.711 ( -0.000 2.917 1.399) 3.236 22.852 ( -0.000 1.825 4.034) 4.428======================= Grid point 15 (16/84) =======================q-point: (-0.04 -0.46 0.04)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 126Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.854 ( 1.640 -0.000 -1.056) 1.951 2.129 ( 1.290 -0.000 -1.271) 1.811 2.269 ( -0.353 0.000 -1.940) 1.972 2.624 ( -5.710 0.000 -3.023) 6.461 2.965 ( -15.017 0.000 -11.824) 19.113 2.995 ( 0.702 -0.000 6.617) 6.654 3.010 ( 5.814 0.000 -7.413) 9.421 3.273 ( 9.408 -0.000 8.835) 12.906 3.671 ( -6.823 0.000 5.975) 9.069 3.770 ( 1.863 0.000 -1.974) 2.715 4.098 ( -3.119 0.000 -3.006) 4.331 4.178 ( -5.250 0.000 -6.652) 8.475 4.560 ( -2.475 0.000 -2.464) 3.492 4.622 ( 0.385 0.000 -2.988) 3.013 4.743 ( -3.559 0.000 2.951) 4.623 4.861 ( -3.423 0.000 -4.772) 5.873 5.081 ( -4.222 0.000 3.696) 5.611 5.274 ( 7.389 -0.000 -0.915) 7.446 5.417 ( -1.768 0.000 -10.526) 10.673 5.577 ( -2.359 -0.000 2.821) 3.678 5.732 ( 1.646 -0.000 0.532) 1.730 5.979 ( 5.802 -0.000 2.899) 6.486 6.276 ( 5.163 -0.000 -0.422) 5.180 6.398 ( 0.285 -0.000 4.050) 4.060 6.668 ( -3.546 0.000 2.756) 4.492 6.745 ( 0.261 0.000 -4.531) 4.538 7.575 ( 3.358 -0.000 6.248) 7.093 7.652 ( -1.498 0.000 -0.882) 1.739 7.858 ( 1.565 -0.000 1.181) 1.961 8.022 ( 1.609 -0.000 1.194) 2.003 8.766 ( 0.373 0.000 -1.227) 1.283 9.022 ( 2.735 -0.000 3.940) 4.796 9.057 ( -0.044 0.000 -0.326) 0.329 9.634 ( -5.783 0.000 4.256) 7.181 9.676 ( -3.928 -0.000 4.341) 5.855 9.969 ( 4.066 0.000 -4.363) 5.964 10.094 ( 3.598 -0.000 -1.833) 4.038 10.343 ( 1.879 -0.000 0.593) 1.970 10.435 ( 1.822 0.000 -3.465) 3.915 10.529 ( 1.626 0.000 -4.474) 4.760 11.076 ( 2.166 -0.000 0.209) 2.176 11.245 ( -1.321 0.000 -0.484) 1.407 11.621 ( -0.798 0.000 -0.779) 1.116 11.905 ( 0.241 -0.000 0.032) 0.243 12.092 ( -6.584 0.000 -0.898) 6.645 12.212 ( 5.308 -0.000 6.504) 8.395 12.291 ( -0.293 0.000 -0.561) 0.633 12.931 ( -4.217 0.000 3.286) 5.346 13.265 ( 2.331 -0.000 -2.048) 3.103 13.505 ( -3.067 0.000 1.322) 3.340 13.515 ( 0.710 -0.000 0.396) 0.812 14.455 ( 0.243 -0.000 -0.171) 0.297 17.559 ( 0.303 0.000 -1.205) 1.242 17.626 ( -8.250 0.000 -0.528) 8.267 17.863 ( -3.444 0.000 -13.358) 13.795 17.928 ( 2.511 -0.000 12.773) 13.018 17.987 ( 6.819 -0.000 -1.640) 7.013 19.314 ( 1.800 -0.000 0.485) 1.864 19.480 ( -2.274 0.000 1.224) 2.583 20.222 ( -1.947 0.000 1.477) 2.444 20.269 ( 0.847 -0.000 -0.123) 0.856 20.755 ( 1.320 -0.000 5.598) 5.752 21.670 ( 2.841 0.000 -3.928) 4.848 22.266 ( 1.292 0.000 -1.363) 1.878 22.818 ( -4.433 0.000 2.715) 5.199 22.901 ( 1.876 0.000 -3.145) 3.662======================= Grid point 16 (17/84) =======================q-point: (-0.44 0.10 0.04)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 211Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.768 ( 4.846 -8.800 -14.398) 17.557 1.961 ( -2.830 -2.504 -3.034) 4.846 2.038 ( 6.998 -6.891 -8.657) 13.091 2.220 ( 16.870 -17.583 -9.190) 26.043 2.678 ( 0.777 -8.066 2.283) 8.419 2.931 ( 11.255 6.322 6.728) 14.557 3.225 ( 6.847 9.571 1.766) 11.899 3.280 ( 3.799 -15.825 -10.655) 19.452 3.455 ( 1.080 -8.639 -4.691) 9.890 3.531 ( -1.210 -1.673 3.651) 4.194 3.725 ( 5.137 -3.203 -4.708) 7.669 3.968 ( 2.560 -0.611 -13.411) 13.667 4.161 ( 3.042 5.403 5.006) 7.969 4.376 ( -1.238 -3.159 -1.303) 3.634 4.546 ( -0.322 3.071 3.799) 4.895 4.797 ( -6.423 -10.484 -16.605) 20.662 5.161 ( -1.740 -10.842 -4.348) 11.811 5.431 ( 8.363 -13.307 -0.935) 15.744 5.460 ( -1.972 10.308 -2.419) 10.770 5.784 ( -5.945 4.723 -4.711) 8.935 5.991 ( -8.825 2.783 9.885) 13.540 6.063 ( -1.087 10.016 4.849) 11.181 6.213 ( -2.699 -2.409 1.488) 3.912 6.350 ( 6.803 2.607 10.880) 13.094 6.797 ( 3.069 0.004 2.340) 3.859 6.870 ( -0.600 -10.995 -8.837) 14.119 7.545 ( -2.829 9.274 -1.917) 9.884 7.659 ( -3.217 8.458 0.453) 9.060 7.932 ( -2.263 7.104 12.250) 14.340 8.456 ( -0.121 7.603 -4.464) 8.818 8.705 ( -0.521 -16.783 8.472) 18.808 8.974 ( -4.422 -0.395 0.051) 4.439 9.404 ( -0.212 3.277 1.007) 3.434 9.647 ( -0.458 -5.425 3.001) 6.217 9.676 ( 0.151 9.410 -2.299) 9.688 9.791 ( 4.517 5.941 -8.304) 11.165 10.213 ( -5.703 -2.278 -2.150) 6.507 10.519 ( -7.077 2.648 1.541) 7.712 10.629 ( 2.714 -3.296 5.197) 6.726 10.744 ( -2.285 -8.262 -4.317) 9.598 11.012 ( -13.459 -6.806 9.241) 17.688 11.348 ( -3.154 -1.786 1.557) 3.945 11.590 ( 3.488 -5.700 -4.238) 7.913 11.923 ( 3.058 5.521 3.405) 7.171 11.980 ( 6.298 5.284 4.259) 9.259 12.036 ( 0.972 1.283 3.800) 4.127 12.458 ( 9.394 4.304 5.157) 11.549 12.714 ( -5.470 3.416 -1.393) 6.598 13.221 ( 4.732 2.075 -3.738) 6.378 13.392 ( 0.815 -1.056 2.600) 2.922 13.579 ( 5.563 -0.173 -2.228) 5.995 14.411 ( -3.966 2.341 -3.061) 5.530 16.984 ( 11.258 -2.877 1.597) 11.729 17.593 ( 0.932 -0.954 -0.901) 1.610 17.821 ( 0.037 -14.425 -12.057) 18.801 18.036 ( -0.786 5.497 6.742) 8.734 18.741 ( -10.983 -5.342 3.019) 12.581 19.339 ( 0.763 6.671 -2.159) 7.053 19.463 ( -2.911 3.554 1.608) 4.867 19.741 ( 4.602 9.576 3.720) 11.256 20.179 ( 0.796 2.123 -8.800) 9.087 21.148 ( -10.030 1.240 1.614) 10.234 21.455 ( 12.041 0.436 10.193) 15.782 22.528 ( -2.532 -5.493 -1.945) 6.353 22.654 ( -2.067 0.369 -0.061) 2.100 22.866 ( 0.798 -2.151 -3.638) 4.301======================= Grid point 17 (18/84) =======================q-point: ( 0.16 -0.33 0.04)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.566 ( -15.963 4.090 -15.511) 22.630 1.711 ( -21.031 9.323 -15.674) 27.837 1.892 ( -5.014 2.341 0.068) 5.534 2.107 ( -10.521 1.786 -8.695) 13.765 2.551 ( -3.592 7.540 0.871) 8.397 2.928 ( -36.269 19.611 -12.661) 43.131 3.113 ( 6.488 1.928 -3.880) 7.801 3.326 ( -9.366 3.633 4.824) 11.144 3.388 ( -0.268 0.610 -0.718) 0.980 3.573 ( -0.288 0.659 2.199) 2.313 3.837 ( -12.465 4.921 -7.188) 15.207 3.931 ( -16.207 -0.118 -4.903) 16.933 4.094 ( 3.719 7.216 -6.637) 10.486 4.440 ( -1.993 -0.249 5.220) 5.593 4.472 ( 2.215 -14.793 -1.730) 15.058 4.772 ( -3.472 -3.072 2.003) 5.050 4.862 ( -7.602 2.262 -3.239) 8.568 5.265 ( -10.578 13.607 -3.819) 17.653 5.396 ( 13.300 -2.561 -3.051) 13.884 5.674 ( 10.686 -6.349 -0.875) 12.461 5.844 ( 1.521 11.871 -8.918) 14.925 6.126 ( 6.277 -2.464 7.634) 10.186 6.380 ( 4.243 -8.648 0.233) 9.636 6.421 ( 2.126 7.900 1.250) 8.276 6.646 ( 3.870 5.844 -1.631) 7.197 6.772 ( -6.501 -0.100 1.237) 6.619 7.638 ( 9.976 -15.344 -1.148) 18.338 7.728 ( 7.046 -5.288 1.622) 8.958 8.236 ( 2.392 7.180 8.626) 11.475 8.516 ( 2.216 7.179 8.897) 11.645 8.872 ( -0.052 -11.447 0.945) 11.486 8.961 ( -2.731 -4.396 10.683) 11.871 9.350 ( 8.270 4.944 -0.827) 9.671 9.678 ( -4.415 -2.998 -4.325) 6.869 9.751 ( -2.475 -6.513 -2.516) 7.408 9.869 ( -1.629 -4.211 -4.352) 6.271 10.003 ( -1.284 -0.289 -2.510) 2.834 10.234 ( 16.471 4.266 -3.075) 17.290 10.495 ( -3.664 17.585 3.607) 18.321 10.717 ( 0.058 -0.160 10.463) 10.464 10.983 ( 3.119 -5.723 1.149) 6.618 11.260 ( 1.897 5.691 -3.316) 6.854 11.420 ( -3.793 4.132 -4.125) 6.962 11.959 ( 1.275 -0.452 1.570) 2.073 12.088 ( 0.542 -3.935 -3.422) 5.243 12.508 ( 3.880 -5.827 15.178) 16.714 12.676 ( 0.023 0.791 6.277) 6.327 12.940 ( -4.275 -10.724 2.942) 11.914 13.074 ( 4.298 -0.235 -7.472) 8.624 13.351 ( 5.427 -0.838 -3.797) 6.676 13.737 ( -5.369 13.685 5.164) 15.581 14.639 ( -7.086 -19.982 9.486) 23.227 17.198 ( -13.062 2.025 -2.317) 13.420 17.341 ( -5.019 11.636 -9.006) 15.547 17.619 ( -2.137 -0.210 0.714) 2.263 18.363 ( 3.229 -7.593 15.574) 17.625 18.419 ( 5.742 5.290 2.293) 8.136 19.463 ( 0.282 -10.080 -2.742) 10.450 19.491 ( -1.071 0.552 1.269) 1.750 19.924 ( 2.165 -6.648 -9.935) 12.149 20.220 ( -1.850 0.814 3.311) 3.879 20.881 ( 19.602 3.400 -4.838) 20.474 21.817 ( -6.568 1.691 5.869) 8.969 22.172 ( 3.390 2.887 -3.773) 5.836 22.697 ( -1.034 4.183 -5.491) 6.980 22.796 ( -6.163 -1.950 1.169) 6.569======================= Grid point 18 (19/84) =======================q-point: (-0.24 0.24 0.04)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 123Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.332 ( 19.890 -12.625 -0.000) 23.559 1.534 ( 30.730 -7.076 -0.000) 31.534 1.938 ( 9.849 -2.959 -0.000) 10.284 1.968 ( 4.823 0.030 -0.000) 4.823 2.552 ( 8.221 -7.408 -0.000) 11.066 2.794 ( 37.545 -23.907 -0.000) 44.510 3.069 ( -6.588 2.664 0.000) 7.107 3.373 ( 6.544 -2.354 -0.000) 6.954 3.386 ( -4.202 -5.725 -0.000) 7.101 3.649 ( 18.140 -7.179 -0.000) 19.509 3.717 ( 1.710 -7.229 -0.000) 7.429 3.868 ( 12.181 -0.578 -0.000) 12.195 3.985 ( 2.092 -0.676 -0.000) 2.199 4.461 ( -5.118 13.429 0.000) 14.371 4.542 ( 8.589 -6.803 -0.000) 10.957 4.783 ( 2.654 1.040 -0.000) 2.851 4.816 ( 8.578 7.028 -0.000) 11.090 5.228 ( 10.934 -9.018 -0.000) 14.173 5.339 ( -13.522 1.979 0.000) 13.666 5.681 ( -10.723 3.257 0.000) 11.207 5.715 ( -2.835 -15.695 -0.000) 15.948 6.220 ( -3.535 1.104 0.000) 3.703 6.373 ( -7.156 7.684 0.000) 10.500 6.494 ( -1.223 -2.611 -0.000) 2.883 6.574 ( -8.273 -11.292 -0.000) 13.998 6.794 ( 7.941 2.987 -0.000) 8.484 7.624 ( -10.393 16.268 0.000) 19.305 7.747 ( -7.129 5.970 0.000) 9.298 8.333 ( -3.192 -12.910 -0.000) 13.298 8.631 ( -2.631 -4.747 -0.000) 5.427 8.874 ( 0.552 9.355 0.000) 9.371 9.152 ( 0.581 6.533 0.000) 6.559 9.406 ( -6.616 -0.369 0.000) 6.626 9.426 ( 1.611 6.081 0.000) 6.291 9.775 ( 12.274 6.629 -0.000) 13.950 9.830 ( -8.354 -3.536 0.000) 9.071 9.977 ( 6.424 5.485 -0.000) 8.446 10.196 ( -16.443 -4.157 0.000) 16.960 10.544 ( 0.813 -18.286 -0.000) 18.304 10.881 ( 3.828 5.471 0.000) 6.677 10.999 ( -6.481 -0.364 0.000) 6.491 11.166 ( -0.737 -6.774 -0.000) 6.814 11.391 ( 2.665 -2.875 -0.000) 3.920 11.997 ( 2.823 -0.611 -0.000) 2.888 12.028 ( -5.415 4.597 0.000) 7.103 12.682 ( -3.195 5.580 0.000) 6.430 12.832 ( 4.889 3.244 -0.000) 5.867 12.899 ( -9.102 -4.281 0.000) 10.059 12.988 ( -1.171 15.456 0.000) 15.501 13.300 ( -7.435 -0.384 0.000) 7.444 13.805 ( 1.146 -17.072 -0.000) 17.110 14.778 ( 10.401 31.141 0.000) 32.832 17.177 ( 15.082 -5.783 -0.000) 16.153 17.226 ( 2.430 -9.951 -0.000) 10.244 17.629 ( 2.577 0.978 -0.000) 2.757 18.442 ( -5.352 -3.760 0.000) 6.540 18.642 ( -5.143 16.471 0.000) 17.255 19.275 ( 9.380 5.224 -0.000) 10.737 19.629 ( -0.834 -6.967 -0.000) 7.016 19.746 ( -6.548 15.248 0.000) 16.595 20.274 ( 2.225 -1.742 -0.000) 2.826 20.800 ( -21.784 -14.444 0.000) 26.137 21.895 ( 5.098 -0.257 -0.000) 5.105 22.126 ( -0.886 -1.011 0.000) 1.344 22.620 ( 1.752 -6.456 -0.000) 6.689 22.813 ( 6.390 2.342 -0.000) 6.806======================= Grid point 19 (20/84) =======================q-point: ( 0.35 -0.19 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.487 ( -7.274 22.419 8.883) 25.187 1.774 ( -7.452 21.330 14.098) 26.632 1.931 ( -0.278 3.478 1.673) 3.870 2.057 ( -4.681 11.316 5.356) 13.366 2.698 ( -1.937 12.000 0.677) 12.175 2.922 ( -21.697 33.939 12.112) 42.063 3.123 ( -11.288 -0.630 -5.430) 12.542 3.282 ( 3.874 2.151 1.265) 4.608 3.397 ( -4.626 -0.921 -1.816) 5.054 3.500 ( -5.679 -12.950 5.268) 15.090 3.606 ( -1.752 8.146 0.321) 8.338 3.905 ( -2.483 14.042 -2.321) 14.447 4.262 ( -0.496 -0.971 3.742) 3.898 4.348 ( 3.160 -3.459 4.541) 6.525 4.436 ( -2.763 7.202 4.285) 8.824 4.647 ( 2.469 -1.770 -4.182) 5.169 5.001 ( 0.555 8.362 9.208) 12.451 5.292 ( -7.153 9.971 4.511) 13.074 5.533 ( 6.265 -2.439 0.464) 6.739 5.717 ( 8.517 -6.413 -1.266) 10.736 6.120 ( 7.619 -0.071 0.600) 7.643 6.163 ( 0.238 -6.280 -5.199) 8.156 6.240 ( 0.974 -2.084 -1.575) 2.788 6.535 ( -5.675 2.777 -5.203) 8.184 6.687 ( 0.727 7.969 4.620) 9.240 6.934 ( 8.732 0.890 -6.776) 11.088 7.493 ( 5.389 -14.788 2.186) 15.891 7.660 ( 2.556 -11.596 0.324) 11.879 8.187 ( -1.421 -9.021 -10.646) 14.026 8.437 ( -9.578 -11.883 -2.748) 15.508 8.879 ( 1.293 21.959 -6.467) 22.928 8.960 ( 1.827 -0.796 1.226) 2.340 9.423 ( 0.276 -3.235 -0.530) 3.289 9.480 ( 0.231 -10.927 12.445) 16.563 9.652 ( -2.687 -0.148 2.228) 3.494 9.779 ( 0.827 -0.035 -5.816) 5.874 10.137 ( 4.622 4.535 4.957) 8.155 10.568 ( 8.767 1.717 -0.234) 8.937 10.667 ( 1.108 1.385 -1.400) 2.260 10.731 ( -1.486 -2.370 -3.510) 4.489 11.280 ( 23.199 10.262 -9.553) 27.107 11.364 ( -1.086 3.522 0.155) 3.689 11.464 ( -0.463 8.596 4.307) 9.626 11.946 ( 0.689 -8.680 -0.201) 8.710 11.991 ( -1.377 -0.275 0.607) 1.530 12.361 ( -4.513 -8.236 -19.474) 21.620 12.561 ( -8.524 -8.358 -4.029) 12.599 12.674 ( 1.224 -6.667 1.336) 6.909 13.138 ( -3.174 -0.662 3.432) 4.721 13.428 ( 1.980 0.767 -0.155) 2.129 13.547 ( -17.987 -5.866 -0.412) 18.924 14.273 ( -0.716 0.414 10.035) 10.069 17.057 ( -9.121 8.789 -4.827) 13.555 17.553 ( -1.655 15.234 11.020) 18.875 17.577 ( -1.190 -0.759 1.340) 1.946 18.219 ( -0.246 -8.436 -9.609) 12.789 18.790 ( 13.276 7.663 -1.517) 15.404 19.191 ( -2.921 -11.866 10.867) 16.353 19.524 ( 4.629 -2.976 -4.651) 7.205 19.790 ( -4.165 -5.582 1.580) 7.142 20.017 ( -6.600 -8.919 3.753) 11.713 21.176 ( 9.159 -4.609 -0.862) 10.290 21.752 ( -3.389 5.910 -16.409) 17.767 22.453 ( 7.514 7.066 5.998) 11.932 22.660 ( -1.650 -0.704 -0.503) 1.863 22.768 ( -2.197 4.311 4.709) 6.752======================= Grid point 20 (21/84) =======================q-point: (-0.05 0.38 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 129Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.838 ( 0.600 -0.000 1.133) 1.282 2.060 ( 2.856 -0.000 4.803) 5.588 2.194 ( 8.378 -0.000 5.480) 10.011 2.551 ( 8.883 -0.000 1.715) 9.047 2.646 ( 17.765 -0.000 15.713) 23.717 2.893 ( -7.420 0.000 1.697) 7.612 3.230 ( 3.066 0.000 -12.523) 12.893 3.372 ( -4.508 0.000 -0.428) 4.528 3.690 ( 1.307 -0.000 7.079) 7.198 3.774 ( -6.953 0.000 -1.426) 7.098 3.946 ( 22.690 -0.000 11.131) 25.273 4.187 ( 12.243 -0.000 -6.770) 13.990 4.336 ( 7.311 -0.000 10.584) 12.863 4.506 ( 2.105 -0.000 6.035) 6.391 4.727 ( 6.500 -0.000 9.057) 11.148 4.833 ( 0.861 0.000 -4.236) 4.323 5.125 ( -1.367 -0.000 9.743) 9.839 5.174 ( 3.915 -0.000 -2.443) 4.615 5.391 ( -5.107 0.000 -8.591) 9.994 5.505 ( 10.028 -0.000 8.616) 13.221 5.778 ( -4.979 0.000 -5.407) 7.350 6.074 ( -10.840 0.000 -4.183) 11.619 6.359 ( 1.236 -0.000 19.492) 19.531 6.386 ( -0.867 0.000 -6.353) 6.412 6.507 ( -5.475 0.000 -2.557) 6.043 6.819 ( 5.686 -0.000 -4.309) 7.134 7.629 ( -13.380 0.000 0.491) 13.389 7.643 ( -0.255 0.000 -0.078) 0.266 7.937 ( -1.807 0.000 -5.050) 5.363 8.134 ( -5.064 0.000 -8.735) 10.096 8.836 ( 2.439 0.000 -7.394) 7.786 9.044 ( -10.553 0.000 1.972) 10.736 9.049 ( 0.005 -0.000 0.155) 0.156 9.705 ( -6.212 0.000 2.116) 6.563 9.721 ( -2.921 0.000 -3.453) 4.523 9.969 ( 4.979 0.000 -5.147) 7.161 10.097 ( 0.815 0.000 -1.136) 1.398 10.277 ( 4.241 -0.000 10.489) 11.314 10.458 ( -2.087 0.000 -9.211) 9.444 10.475 ( 7.936 -0.000 0.526) 7.954 11.111 ( -2.337 0.000 -2.528) 3.442 11.153 ( 2.215 -0.000 6.060) 6.452 11.556 ( 2.443 -0.000 4.921) 5.494 11.915 ( -0.370 0.000 -0.870) 0.945 12.191 ( -2.953 0.000 -8.566) 9.061 12.235 ( 1.041 -0.000 4.252) 4.377 12.391 ( -7.310 0.000 -9.623) 12.084 12.985 ( -3.142 0.000 -1.660) 3.554 13.197 ( 2.142 -0.000 4.005) 4.542 13.450 ( -1.778 -0.000 5.770) 6.038 13.546 ( 0.533 0.000 -2.262) 2.324 14.576 ( 0.326 0.000 -10.811) 10.816 17.468 ( 3.017 -0.000 9.508) 9.975 17.572 ( 9.321 -0.000 4.291) 10.262 17.656 ( 2.599 -0.000 2.184) 3.395 18.059 ( -3.422 0.000 -8.508) 9.170 18.199 ( -1.212 0.000 -10.726) 10.795 19.357 ( -2.343 0.000 -3.512) 4.221 19.547 ( 0.673 0.000 -4.617) 4.666 20.171 ( -0.906 -0.000 8.419) 8.467 20.204 ( -1.728 -0.000 2.925) 3.397 20.720 ( -13.563 0.000 8.602) 16.061 21.723 ( 5.509 0.000 -7.955) 9.676 22.233 ( 1.655 -0.000 1.584) 2.291 22.789 ( -1.430 -0.000 5.269) 5.459 22.891 ( 4.894 -0.000 -2.044) 5.304======================= Grid point 21 (22/84) =======================q-point: (-0.45 -0.05 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.985 ( -0.000 2.049 -4.234) 4.703 2.039 ( -0.000 -0.130 -0.534) 0.550 2.160 ( -0.000 2.817 -8.228) 8.697 2.203 ( 0.000 -10.830 -13.200) 17.074 2.653 ( 0.000 -3.675 -1.240) 3.878 2.674 ( -0.000 13.475 6.476) 14.951 3.108 ( -0.000 4.879 3.269) 5.873 3.409 ( -0.000 0.451 -1.659) 1.720 3.522 ( 0.000 -2.840 -5.118) 5.853 3.543 ( 0.000 -4.754 -2.578) 5.408 3.759 ( 0.000 -3.784 -1.178) 3.963 4.034 ( -0.000 6.800 2.196) 7.145 4.212 ( -0.000 -0.929 -3.726) 3.840 4.421 ( -0.000 3.942 -1.484) 4.212 4.507 ( -0.000 2.179 0.940) 2.373 5.128 ( 0.000 -20.438 -5.509) 21.168 5.246 ( 0.000 -8.513 -0.735) 8.544 5.419 ( 0.000 -6.033 -6.606) 8.947 5.463 ( -0.000 13.083 3.110) 13.448 5.839 ( -0.000 5.654 1.056) 5.752 5.946 ( -0.000 1.191 1.322) 1.780 5.967 ( -0.000 8.032 4.362) 9.140 6.103 ( -0.000 2.638 2.756) 3.815 6.228 ( 0.000 -1.288 -1.215) 1.771 6.697 ( 0.000 -0.601 1.065) 1.223 7.042 ( 0.000 -6.105 -3.921) 7.256 7.522 ( 0.000 -0.161 3.869) 3.873 7.664 ( -0.000 5.495 2.875) 6.202 7.802 ( -0.000 1.066 3.488) 3.647 8.466 ( 0.000 -12.645 9.234) 15.658 8.739 ( -0.000 8.859 -13.742) 16.350 9.008 ( 0.000 -3.407 1.281) 3.640 9.397 ( -0.000 3.862 0.467) 3.891 9.586 ( 0.000 -2.858 2.043) 3.513 9.727 ( -0.000 8.192 -2.713) 8.630 9.775 ( 0.000 -6.927 6.568) 9.546 10.322 ( -0.000 0.467 -1.132) 1.225 10.477 ( 0.000 -10.323 3.627) 10.941 10.576 ( 0.000 -2.834 3.165) 4.249 10.846 ( 0.000 -2.974 -2.510) 3.891 11.057 ( -0.000 12.787 -11.550) 17.231 11.484 ( 0.000 -5.492 -5.459) 7.744 11.570 ( -0.000 3.089 8.129) 8.696 11.742 ( 0.000 -3.919 -4.395) 5.888 11.882 ( -0.000 4.556 2.422) 5.160 12.006 ( -0.000 2.629 2.419) 3.573 12.270 ( 0.000 -0.378 2.086) 2.120 12.816 ( 0.000 -2.340 1.694) 2.889 13.134 ( -0.000 0.851 2.487) 2.629 13.387 ( -0.000 -0.207 -1.552) 1.566 13.573 ( 0.000 -0.494 0.306) 0.581 14.492 ( -0.000 1.109 0.329) 1.156 16.877 ( -0.000 2.878 -2.957) 4.126 17.617 ( -0.000 0.274 -1.310) 1.339 17.924 ( -0.000 1.065 3.387) 3.550 18.066 ( 0.000 -8.599 -7.734) 11.566 18.773 ( -0.000 1.268 3.015) 3.271 19.207 ( 0.000 -7.940 4.899) 9.329 19.529 ( -0.000 0.252 -0.728) 0.771 19.660 ( -0.000 7.289 3.946) 8.289 20.312 ( -0.000 0.213 0.556) 0.595 21.192 ( -0.000 10.114 -4.075) 10.904 21.213 ( 0.000 -2.844 2.083) 3.525 22.528 ( 0.000 -1.506 -0.493) 1.585 22.742 ( -0.000 0.176 -1.417) 1.427 22.898 ( 0.000 -1.655 -0.254) 1.674======================= Grid point 22 (23/84) =======================q-point: ( 0.15 -0.48 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 211Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.838 ( -0.790 0.087 -1.275) 1.503 1.979 ( -2.339 -4.704 -2.478) 5.808 2.338 ( -8.154 10.821 -7.806) 15.637 2.628 ( -10.213 6.630 -4.347) 12.929 2.675 ( -14.962 2.763 -12.231) 19.522 2.944 ( 9.133 5.331 -3.166) 11.039 3.231 ( 3.043 0.466 8.058) 8.626 3.391 ( 7.669 -9.253 -1.400) 12.100 3.541 ( -9.982 5.475 -1.596) 11.496 3.940 ( -0.171 7.342 6.482) 9.796 4.028 ( -18.848 4.045 -5.031) 19.923 4.120 ( -7.071 -1.434 -3.167) 7.879 4.267 ( -4.764 -10.431 -2.012) 11.642 4.472 ( -2.328 3.130 -7.549) 8.497 4.693 ( -5.304 -12.655 -4.064) 14.311 4.842 ( -6.641 5.214 -7.855) 11.532 4.942 ( 0.941 -3.753 0.981) 3.992 5.265 ( 1.517 -2.331 2.254) 3.579 5.471 ( 9.386 0.855 -3.307) 9.988 5.654 ( -9.846 8.788 -7.626) 15.242 5.697 ( 6.601 5.422 10.074) 13.208 6.021 ( 1.429 -4.464 -0.496) 4.714 6.296 ( 1.967 -7.685 0.317) 7.939 6.490 ( 0.164 6.550 -1.547) 6.733 6.582 ( 4.871 8.068 -4.446) 10.421 6.867 ( -6.098 6.117 2.756) 9.066 7.470 ( 11.887 -13.660 -3.189) 18.387 7.595 ( 1.927 -5.198 0.175) 5.547 7.981 ( 0.521 2.455 9.693) 10.012 8.193 ( 7.444 4.743 9.751) 13.152 8.809 ( -2.579 -4.242 6.032) 7.812 8.850 ( 1.718 -7.128 -0.040) 7.332 9.231 ( 5.957 9.403 -1.862) 11.286 9.683 ( 3.525 1.321 1.364) 4.004 9.785 ( -1.999 -3.630 -0.965) 4.255 9.950 ( 4.579 4.904 1.975) 6.994 10.067 ( -0.499 -3.726 1.659) 4.109 10.222 ( -3.160 -5.902 -11.076) 12.942 10.468 ( 1.189 2.491 8.607) 9.039 10.578 ( -6.682 8.219 2.174) 10.813 11.018 ( -2.817 -5.440 -2.630) 6.667 11.228 ( 1.697 3.713 -0.005) 4.082 11.605 ( -2.215 4.773 -4.949) 7.224 11.912 ( 0.562 -0.488 0.656) 0.992 12.147 ( 2.753 -4.095 8.572) 9.891 12.164 ( 0.493 -5.237 -1.222) 5.400 12.478 ( 4.233 6.645 5.501) 9.609 12.915 ( 1.392 -6.686 1.384) 6.968 13.200 ( -1.940 0.396 -4.410) 4.834 13.368 ( 2.586 -3.948 -4.114) 6.261 13.717 ( -0.684 12.396 2.220) 12.612 14.477 ( -0.734 -9.690 8.904) 13.180 17.506 ( -6.580 2.640 -7.144) 10.066 17.622 ( -5.882 3.145 -0.743) 6.711 17.680 ( -2.095 4.583 -6.950) 8.585 18.019 ( 3.364 -3.842 7.457) 9.038 18.241 ( 1.964 5.233 9.625) 11.130 19.218 ( 5.419 -12.139 4.251) 13.957 19.677 ( -5.097 8.793 0.635) 10.183 20.091 ( 1.466 -5.720 -7.211) 9.320 20.194 ( 2.205 0.021 -1.657) 2.758 20.665 ( 10.443 -6.116 -3.621) 12.632 21.809 ( -4.388 7.853 5.206) 10.393 22.215 ( -0.496 -1.962 -2.335) 3.090 22.798 ( 1.620 1.056 -3.935) 4.385 22.872 ( -4.598 -1.874 1.577) 5.209======================= Grid point 23 (24/84) =======================q-point: (-0.25 0.09 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.142 ( 21.329 -10.420 -20.691) 31.490 1.355 ( 19.898 -19.300 -22.604) 35.768 1.856 ( 0.029 -2.672 -3.075) 4.074 1.962 ( 5.865 -2.796 -5.868) 8.754 2.154 ( 29.544 -31.330 -28.106) 51.424 2.562 ( 0.713 -10.055 2.171) 10.312 3.084 ( 8.077 -2.534 0.371) 8.473 3.318 ( -5.416 -3.214 0.874) 6.358 3.349 ( 3.562 0.784 -2.402) 4.367 3.539 ( 6.958 3.421 -1.121) 7.834 3.652 ( 4.672 -8.626 -9.855) 13.905 3.721 ( 2.465 3.880 2.673) 5.318 4.200 ( -7.093 -7.759 -8.636) 13.605 4.370 ( 6.263 1.681 1.089) 6.575 4.512 ( -2.430 13.237 -2.360) 13.664 4.716 ( -0.195 4.593 2.812) 5.389 4.858 ( -3.189 -6.259 -3.325) 7.772 5.066 ( 9.660 -12.236 -3.341) 15.944 5.609 ( -8.049 4.183 -4.395) 10.079 5.818 ( -3.138 0.989 -4.845) 5.856 5.892 ( -4.460 -12.345 -5.063) 14.068 6.250 ( -5.952 2.711 4.704) 8.056 6.375 ( -1.129 6.639 4.416) 8.053 6.520 ( -3.446 -0.247 3.586) 4.979 6.635 ( 5.279 1.058 1.043) 5.485 6.811 ( -11.337 -12.026 3.037) 16.804 7.781 ( -4.769 14.402 0.935) 15.200 7.840 ( -4.547 7.071 1.326) 8.511 8.288 ( -3.204 -1.064 9.210) 9.810 8.508 ( 1.952 -12.614 6.659) 14.397 8.716 ( 17.560 15.918 8.693) 25.245 8.935 ( 0.399 -2.447 -0.623) 2.557 9.472 ( -4.405 1.190 -0.541) 4.595 9.599 ( 3.288 -1.359 0.447) 3.585 9.688 ( 2.433 9.203 -12.304) 15.556 9.847 ( 1.300 5.495 1.211) 5.775 10.049 ( -3.801 -4.960 -5.341) 8.220 10.489 ( -8.600 -5.078 -2.172) 10.221 10.571 ( -11.182 -21.667 11.271) 26.862 10.708 ( 0.735 1.913 7.072) 7.363 11.118 ( -13.229 -2.137 4.049) 13.999 11.284 ( -0.686 -4.393 -4.883) 6.604 11.352 ( 3.010 -2.974 -2.710) 5.025 11.963 ( 0.332 -0.890 -0.908) 1.314 12.127 ( -2.680 7.281 0.316) 7.765 12.485 ( 8.245 4.343 21.759) 23.670 12.651 ( 2.434 1.377 4.840) 5.590 12.827 ( 8.884 8.576 5.940) 13.703 13.127 ( -0.201 -0.868 -4.957) 5.037 13.426 ( -1.841 0.376 -0.815) 2.048 13.552 ( 12.373 -5.403 5.577) 14.608 14.472 ( 8.142 20.088 -5.435) 22.346 16.945 ( 11.381 -2.850 -0.584) 11.747 17.280 ( 2.118 -11.634 -8.960) 14.836 17.587 ( 1.224 0.040 0.483) 1.316 18.348 ( 1.123 3.336 10.761) 11.322 18.659 ( -15.995 -4.659 2.352) 16.825 19.380 ( 4.456 6.707 -7.408) 10.941 19.503 ( 4.259 -2.536 3.705) 6.188 19.965 ( -2.908 10.286 -7.129) 12.848 20.180 ( 2.077 6.284 2.843) 7.203 21.207 ( -13.245 -0.288 -0.038) 13.248 21.716 ( 3.729 2.401 8.996) 10.030 22.289 ( -8.243 -10.074 -5.711) 14.214 22.643 ( 4.342 -2.317 -1.690) 5.204 22.719 ( 1.265 -0.603 -3.968) 4.208======================= Grid point 24 (25/84) =======================q-point: ( 0.34 -0.34 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 126Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.627 ( -10.423 16.247 0.000) 19.303 1.769 ( -16.474 16.057 0.000) 23.004 1.971 ( -5.167 1.438 0.000) 5.364 2.039 ( -6.731 8.047 0.000) 10.491 2.684 ( 2.814 5.118 0.000) 5.840 3.062 ( 12.158 1.741 -0.000) 12.282 3.280 ( -10.452 20.958 0.000) 23.420 3.323 ( -2.735 -8.263 -0.000) 8.704 3.591 ( -15.568 15.976 0.000) 22.307 3.705 ( -17.167 -3.639 0.000) 17.549 3.804 ( -14.161 2.711 0.000) 14.418 3.992 ( -0.223 14.275 0.000) 14.277 4.043 ( -12.269 3.570 0.000) 12.777 4.336 ( 7.194 5.607 -0.000) 9.121 4.658 ( -13.549 -8.232 0.000) 15.854 4.761 ( -4.057 13.919 0.000) 14.499 4.762 ( 1.645 -1.250 -0.000) 2.066 5.285 ( 14.067 -4.337 -0.000) 14.721 5.351 ( -1.617 1.773 0.000) 2.400 5.591 ( 6.372 -4.067 -0.000) 7.559 5.916 ( 9.912 2.666 -0.000) 10.265 6.188 ( 8.449 -9.267 -0.000) 12.541 6.241 ( -1.597 2.562 0.000) 3.019 6.623 ( 0.413 6.973 0.000) 6.985 6.733 ( -8.783 0.752 0.000) 8.815 6.763 ( 9.296 7.264 -0.000) 11.797 7.319 ( 9.334 -15.062 -0.000) 17.720 7.587 ( 4.586 -10.102 -0.000) 11.094 8.390 ( -2.681 -4.345 -0.000) 5.106 8.627 ( -0.848 -14.418 -0.000) 14.443 8.919 ( 2.951 22.018 0.000) 22.215 9.006 ( -4.086 -9.086 -0.000) 9.963 9.271 ( 0.031 -9.604 -0.000) 9.604 9.422 ( 1.650 0.179 -0.000) 1.660 9.689 ( -3.661 -3.081 0.000) 4.785 9.871 ( -2.112 -5.095 -0.000) 5.516 9.920 ( 7.646 5.747 -0.000) 9.565 10.306 ( 14.896 6.897 -0.000) 16.415 10.759 ( -3.508 3.971 0.000) 5.299 10.793 ( -3.632 -3.556 0.000) 5.083 11.083 ( 11.770 8.322 -0.000) 14.415 11.288 ( 2.068 5.501 0.000) 5.877 11.479 ( -4.859 6.390 0.000) 8.027 11.899 ( 3.850 -8.689 -0.000) 9.503 12.016 ( -2.650 1.292 0.000) 2.948 12.508 ( 7.745 -11.947 -0.000) 14.238 12.694 ( -2.329 -12.016 -0.000) 12.240 12.775 ( -10.245 -5.267 0.000) 11.519 12.994 ( 8.145 5.049 -0.000) 9.583 13.314 ( 7.222 1.153 -0.000) 7.313 14.133 ( -1.851 16.358 0.000) 16.463 14.181 ( -21.748 -28.023 0.000) 35.472 17.342 ( -12.888 11.260 0.000) 17.114 17.444 ( -2.298 11.628 0.000) 11.853 17.589 ( -1.764 -3.453 -0.000) 3.878 18.310 ( 9.184 -12.829 -0.000) 15.777 18.631 ( 1.867 11.507 0.000) 11.657 19.094 ( -3.007 -12.980 -0.000) 13.324 19.518 ( 2.477 -7.675 -0.000) 8.064 19.752 ( 1.443 5.899 0.000) 6.073 20.191 ( -10.425 -10.109 0.000) 14.522 20.947 ( 16.136 -0.437 -0.000) 16.142 21.950 ( 1.165 5.790 0.000) 5.906 22.187 ( 6.045 5.208 -0.000) 7.979 22.754 ( -5.506 -3.684 0.000) 6.625 22.761 ( -2.056 7.509 0.000) 7.786======================= Grid point 25 (26/84) =======================q-point: (-0.06 0.23 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 126Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.528 ( 14.475 -0.000 23.527) 27.623 1.619 ( 27.484 -0.000 12.224) 30.080 1.873 ( 5.453 -0.000 -0.846) 5.518 2.086 ( 10.280 -0.000 7.631) 12.802 2.475 ( 2.848 -0.000 -2.310) 3.667 2.714 ( 51.587 -0.000 19.052) 54.992 3.079 ( -7.645 0.000 -1.876) 7.872 3.297 ( 12.088 -0.000 -6.440) 13.697 3.394 ( 0.163 -0.000 6.558) 6.560 3.580 ( -9.925 0.000 5.463) 11.329 3.802 ( 18.319 -0.000 11.904) 21.847 3.842 ( 5.536 -0.000 0.314) 5.545 4.076 ( 5.030 -0.000 1.485) 5.245 4.450 ( 1.790 -0.000 -0.160) 1.797 4.641 ( -7.549 0.000 1.791) 7.758 4.825 ( 6.112 -0.000 -0.291) 6.119 4.890 ( 11.746 -0.000 -0.265) 11.749 5.052 ( 10.359 -0.000 -2.000) 10.550 5.442 ( -16.552 0.000 5.110) 17.323 5.613 ( -3.297 0.000 1.381) 3.574 5.801 ( -0.958 -0.000 13.692) 13.726 6.160 ( -5.647 0.000 -6.237) 8.413 6.338 ( -8.000 0.000 -3.808) 8.861 6.500 ( -6.161 0.000 0.914) 6.229 6.536 ( 1.250 -0.000 2.873) 3.134 6.784 ( 6.999 -0.000 -3.545) 7.846 7.766 ( -7.080 0.000 -3.290) 7.807 7.884 ( -13.772 0.000 0.950) 13.805 8.052 ( -0.303 0.000 -3.499) 3.512 8.471 ( -2.126 0.000 -11.482) 11.677 8.932 ( 2.397 0.000 -2.800) 3.686 9.128 ( 1.942 0.000 -11.319) 11.484 9.251 ( -13.721 0.000 1.805) 13.839 9.705 ( 8.378 -0.000 1.740) 8.557 9.809 ( -8.065 0.000 1.163) 8.148 9.955 ( 3.854 -0.000 10.201) 10.905 10.022 ( 3.939 0.000 -6.621) 7.704 10.174 ( -7.059 0.000 0.865) 7.112 10.258 ( 3.952 -0.000 4.227) 5.786 10.728 ( -0.895 0.000 -11.522) 11.557 11.064 ( -1.463 0.000 0.391) 1.515 11.182 ( -2.754 -0.000 4.504) 5.279 11.378 ( 3.210 -0.000 2.996) 4.391 11.961 ( -0.506 0.000 -1.639) 1.715 12.131 ( -2.084 -0.000 3.964) 4.478 12.562 ( -3.615 0.000 -15.482) 15.899 12.665 ( -0.854 0.000 -7.070) 7.122 13.029 ( 2.655 -0.000 3.125) 4.101 13.127 ( -4.351 0.000 -2.265) 4.905 13.377 ( -4.527 -0.000 5.360) 7.016 13.550 ( 4.423 -0.000 -2.062) 4.881 14.867 ( 2.651 0.000 -18.130) 18.322 17.199 ( 2.774 -0.000 7.447) 7.947 17.200 ( 15.289 -0.000 5.469) 16.237 17.620 ( 2.396 -0.000 -1.226) 2.691 18.357 ( 0.616 0.000 -3.981) 4.028 18.457 ( -6.707 0.000 -18.768) 19.930 19.484 ( -1.292 0.000 -3.058) 3.320 19.548 ( 4.277 -0.000 3.041) 5.248 20.014 ( -2.634 -0.000 6.864) 7.352 20.206 ( -3.824 0.000 0.908) 3.930 20.833 ( -20.975 0.000 14.102) 25.275 21.792 ( 5.299 0.000 -7.560) 9.232 22.153 ( 1.606 -0.000 2.433) 2.916 22.653 ( 0.784 -0.000 7.159) 7.202 22.816 ( 6.616 -0.000 -1.547) 6.794======================= Grid point 26 (27/84) =======================q-point: ( 0.54 -0.20 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 211Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.954 ( 2.136 9.191 2.473) 9.755 2.004 ( 1.862 2.039 1.377) 3.086 2.208 ( -1.397 12.045 3.303) 12.568 2.597 ( -8.074 17.696 7.999) 21.032 2.737 ( -9.133 -4.483 -12.832) 16.376 2.838 ( -10.816 -2.438 -5.132) 12.217 3.087 ( -3.716 -2.300 -0.067) 4.370 3.407 ( -4.498 -0.504 3.303) 5.603 3.497 ( 3.779 -0.121 1.999) 4.276 3.662 ( 2.534 4.223 -6.969) 8.534 3.814 ( -5.420 6.220 -1.149) 8.329 4.116 ( -4.037 16.398 10.899) 20.100 4.122 ( -7.056 1.658 -3.657) 8.119 4.423 ( 0.612 -1.414 -2.040) 2.557 4.537 ( -1.525 1.519 -3.185) 3.844 4.900 ( 8.294 2.591 16.993) 19.086 5.252 ( -0.600 -10.941 -1.683) 11.086 5.351 ( 6.056 6.241 -0.663) 8.721 5.656 ( -5.217 8.483 0.106) 9.959 5.721 ( 5.457 -2.318 5.139) 7.846 5.919 ( -2.201 -0.483 0.927) 2.437 6.006 ( 4.578 4.336 -0.886) 6.367 6.111 ( 0.598 -9.888 -5.367) 11.266 6.387 ( -0.804 2.685 -15.391) 15.644 6.747 ( -3.150 -4.933 -0.957) 5.931 7.019 ( -0.182 1.815 4.593) 4.942 7.385 ( 3.075 -6.089 8.073) 10.569 7.549 ( 2.047 -1.388 4.891) 5.481 7.809 ( -0.004 -4.996 -7.389) 8.919 8.286 ( 0.499 -9.368 5.151) 10.702 8.937 ( 3.188 -3.744 1.458) 5.129 9.012 ( 5.064 13.181 -14.519) 20.253 9.377 ( 0.359 0.158 0.503) 0.638 9.467 ( 3.435 -13.516 8.808) 16.494 9.642 ( -5.255 -7.922 5.861) 11.168 9.797 ( -0.562 10.702 -2.821) 11.081 10.275 ( 4.477 4.006 0.263) 6.013 10.434 ( 3.893 -5.254 -2.800) 7.113 10.580 ( -0.815 -2.529 -3.766) 4.609 10.882 ( -2.701 4.918 3.569) 6.649 11.228 ( 18.064 9.353 -9.020) 22.252 11.364 ( 4.688 0.341 -4.373) 6.420 11.655 ( -3.757 -0.944 -4.225) 5.732 11.849 ( -5.539 0.927 2.947) 6.343 11.913 ( -5.032 -1.879 -0.275) 5.379 11.999 ( -0.623 -2.733 -2.962) 4.078 12.365 ( -9.161 -4.893 -1.041) 10.438 12.639 ( 5.327 -4.276 4.623) 8.248 13.169 ( -9.011 -3.027 4.385) 10.468 13.421 ( 1.531 1.720 -2.455) 3.366 13.549 ( -3.611 -2.758 4.379) 6.311 14.423 ( 2.718 2.837 1.525) 4.215 17.090 ( -9.247 7.918 -6.547) 13.823 17.614 ( -1.055 1.143 2.523) 2.964 17.912 ( 2.072 -4.407 -3.810) 6.183 18.064 ( 1.310 6.893 5.502) 8.916 18.720 ( 7.230 -9.756 -4.785) 13.052 19.222 ( -9.332 -3.416 6.871) 12.081 19.361 ( 9.993 -2.526 -0.442) 10.317 19.667 ( -5.587 -0.066 0.723) 5.634 20.171 ( -0.358 1.516 9.118) 9.250 21.079 ( 8.132 -6.842 2.513) 10.920 21.554 ( -8.479 10.097 -14.569) 19.649 22.577 ( -3.358 -1.009 -0.538) 3.548 22.664 ( 8.894 1.976 0.523) 9.126 22.899 ( -1.938 1.204 1.760) 2.881======================= Grid point 27 (28/84) =======================q-point: ( 0.14 0.36 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.856 ( -1.670 0.275 1.016) 1.974 2.021 ( -0.781 -6.686 0.979) 6.803 2.423 ( 1.461 11.581 0.804) 11.701 2.725 ( 6.724 9.228 4.408) 12.239 2.943 ( 10.017 -1.380 9.570) 13.922 3.014 ( 1.135 1.360 -5.670) 5.940 3.078 ( -5.239 5.038 3.148) 7.921 3.269 ( -7.021 -0.634 -8.803) 11.278 3.691 ( 4.873 -1.639 7.946) 9.464 3.757 ( -1.185 3.098 -6.100) 6.944 4.123 ( 6.324 -0.165 2.766) 6.905 4.137 ( 1.299 0.528 1.491) 2.047 4.391 ( 10.365 -16.083 5.711) 19.968 4.580 ( -4.593 -2.230 -1.127) 5.229 4.751 ( 1.214 -0.635 1.854) 2.305 4.904 ( 0.758 -0.531 -1.388) 1.668 5.078 ( 3.631 -3.703 1.291) 5.345 5.150 ( -0.939 3.831 4.739) 6.165 5.471 ( -3.764 -12.914 -3.240) 13.836 5.690 ( -2.195 13.210 -2.157) 13.564 5.700 ( -4.944 6.699 1.262) 8.421 6.055 ( 5.801 3.881 6.577) 9.591 6.216 ( -5.429 -5.911 -3.228) 8.651 6.417 ( 2.484 0.686 -2.942) 3.912 6.751 ( 0.677 5.523 -7.493) 9.333 6.813 ( -0.821 10.587 8.057) 13.330 7.474 ( -4.583 -9.558 -5.239) 11.823 7.597 ( -0.068 -5.976 0.387) 5.989 7.852 ( 4.133 -0.907 -0.228) 4.237 8.046 ( -6.417 2.026 -2.550) 7.196 8.749 ( 0.529 -1.645 1.269) 2.144 8.858 ( -2.181 -7.571 0.134) 7.880 9.231 ( -1.904 10.101 -1.913) 10.456 9.608 ( 6.642 0.544 -4.097) 7.823 9.851 ( 2.328 4.493 -5.163) 7.230 9.864 ( -1.771 -0.588 3.528) 3.991 10.069 ( -5.205 -2.709 1.832) 6.147 10.364 ( -1.053 1.216 -0.671) 1.743 10.367 ( -0.678 -5.719 2.347) 6.219 10.614 ( -3.881 7.487 5.529) 10.084 11.070 ( -1.180 -1.247 1.664) 2.391 11.221 ( 1.582 -2.324 -1.253) 3.078 11.670 ( 0.767 4.784 0.780) 4.907 11.903 ( -0.546 -0.246 -0.050) 0.601 12.042 ( 3.370 -3.774 -0.193) 5.063 12.139 ( -1.244 -4.691 -2.756) 5.581 12.410 ( -0.407 8.304 -1.386) 8.428 12.874 ( 3.653 -5.508 -2.398) 7.031 13.270 ( -1.710 0.516 1.804) 2.539 13.400 ( 0.120 -4.183 -1.000) 4.303 13.684 ( 2.557 10.559 -1.060) 10.915 14.379 ( -0.994 -7.436 0.496) 7.518 17.570 ( 5.208 1.270 -0.428) 5.378 17.659 ( 6.106 2.368 2.320) 6.948 17.845 ( -0.715 -3.130 0.803) 3.310 17.945 ( -1.843 0.141 2.717) 3.286 18.065 ( -6.730 11.499 -1.947) 13.465 19.163 ( -3.624 -12.145 -0.982) 12.713 19.660 ( 4.339 13.378 0.017) 14.064 20.127 ( 5.874 -6.941 -3.613) 9.784 20.227 ( -1.502 -4.117 -0.151) 4.385 20.690 ( -7.015 -6.907 -1.276) 9.927 21.760 ( 1.973 8.153 1.226) 8.477 22.262 ( -3.445 -0.810 1.877) 4.006 22.805 ( 4.582 -1.041 -2.447) 5.298 22.892 ( -2.190 -0.807 2.663) 3.541======================= Grid point 28 (29/84) =======================q-point: (-0.27 -0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 124Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.492 ( 0.000 -16.317 -23.232) 28.389 1.563 ( -0.000 -4.176 -28.182) 28.490 1.996 ( -0.000 -0.364 -3.539) 3.557 2.030 ( -0.000 2.750 -6.614) 7.163 2.529 ( 0.000 -7.124 -0.183) 7.126 2.758 ( 0.000 -21.846 -36.000) 42.110 2.994 ( -0.000 5.484 0.326) 5.493 3.323 ( -0.000 9.256 -0.818) 9.292 3.375 ( 0.000 -0.720 -2.272) 2.383 3.572 ( 0.000 -6.431 -4.095) 7.624 3.596 ( -0.000 4.867 0.285) 4.875 3.901 ( 0.000 -5.366 -8.671) 10.197 4.274 ( -0.000 8.404 1.449) 8.528 4.292 ( 0.000 -8.530 -3.354) 9.165 4.648 ( -0.000 4.113 4.327) 5.970 4.723 ( -0.000 -0.326 -5.863) 5.872 4.947 ( 0.000 -12.024 -3.140) 12.427 5.067 ( 0.000 -9.665 -7.332) 12.131 5.671 ( 0.000 1.154 5.586) 5.704 5.980 ( -0.000 8.317 -4.562) 9.486 6.085 ( -0.000 0.420 -2.888) 2.918 6.216 ( -0.000 5.251 4.436) 6.874 6.263 ( -0.000 3.082 7.013) 7.660 6.356 ( -0.000 7.699 6.473) 10.059 6.681 ( 0.000 -7.803 -7.887) 11.095 6.741 ( 0.000 -6.388 6.975) 9.458 7.718 ( -0.000 7.730 6.878) 10.347 7.848 ( -0.000 6.153 1.651) 6.370 8.108 ( -0.000 6.783 13.446) 15.060 8.357 ( 0.000 -15.537 6.343) 16.782 8.559 ( -0.000 3.506 -11.533) 12.054 8.967 ( 0.000 -2.574 0.189) 2.581 9.509 ( -0.000 4.868 0.071) 4.869 9.579 ( 0.000 -2.717 1.357) 3.037 9.763 ( 0.000 -6.382 4.825) 8.000 9.858 ( -0.000 10.803 -3.088) 11.236 10.214 ( 0.000 -4.855 -5.970) 7.695 10.373 ( 0.000 -16.294 8.326) 18.298 10.608 ( 0.000 -0.061 3.608) 3.608 10.644 ( 0.000 -5.361 -3.921) 6.642 11.161 ( -0.000 5.504 2.967) 6.253 11.335 ( 0.000 -2.560 -1.139) 2.802 11.480 ( 0.000 -5.185 -7.873) 9.427 11.868 ( -0.000 3.528 11.451) 11.982 12.020 ( 0.000 -0.819 -2.604) 2.730 12.099 ( -0.000 8.097 3.560) 8.845 12.445 ( -0.000 3.227 8.515) 9.106 12.783 ( 0.000 -2.221 -0.629) 2.308 13.210 ( -0.000 3.398 -2.990) 4.526 13.339 ( 0.000 -2.068 1.954) 2.845 13.536 ( -0.000 -0.518 -2.480) 2.533 14.537 ( -0.000 5.434 -1.007) 5.526 16.853 ( -0.000 1.460 -3.259) 3.572 17.512 ( 0.000 -13.945 -13.672) 19.530 17.575 ( -0.000 -0.273 -0.953) 0.992 18.157 ( -0.000 5.433 8.340) 9.954 18.873 ( 0.000 -0.400 2.359) 2.393 19.165 ( 0.000 -9.970 7.163) 12.277 19.506 ( -0.000 0.621 -1.595) 1.712 20.034 ( -0.000 12.745 6.749) 14.421 20.209 ( -0.000 1.873 -8.773) 8.971 21.243 ( 0.000 -1.838 5.295) 5.605 21.505 ( -0.000 17.930 4.841) 18.572 22.419 ( 0.000 -9.231 -1.124) 9.299 22.665 ( 0.000 -1.714 -3.790) 4.160 22.805 ( 0.000 -2.365 -3.318) 4.074======================= Grid point 29 (30/84) =======================q-point: ( 0.33 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.819 ( -3.652 4.790 -2.196) 6.411 1.916 ( -1.183 -2.275 1.041) 2.767 2.325 ( -16.195 10.107 -8.505) 20.899 2.408 ( -13.447 2.502 -11.754) 18.034 2.700 ( -0.367 -0.551 -5.036) 5.079 2.859 ( 14.655 -3.635 -7.508) 16.862 3.187 ( 4.573 8.378 1.341) 9.639 3.353 ( 1.876 -5.368 3.310) 6.579 3.781 ( -8.608 2.680 0.067) 9.015 3.949 ( 1.608 -0.008 3.949) 4.264 4.140 ( -12.912 6.131 -1.438) 14.365 4.202 ( -1.541 -3.933 -0.677) 4.278 4.248 ( -18.488 17.471 -4.089) 25.764 4.348 ( -10.808 5.054 -1.960) 12.091 4.527 ( -2.423 -1.260 10.379) 10.733 4.805 ( -6.536 -1.546 -1.163) 6.816 4.958 ( 12.946 -3.652 1.064) 13.494 5.063 ( 10.528 -8.983 -3.344) 14.237 5.383 ( -5.529 4.751 -6.618) 9.846 5.698 ( -7.274 6.611 -4.979) 11.018 5.806 ( 4.881 -8.957 -3.436) 10.764 5.940 ( 14.518 -4.515 -0.964) 15.235 6.253 ( -6.049 9.728 3.198) 11.893 6.604 ( 5.490 -4.518 0.600) 7.136 6.656 ( -1.544 11.711 -0.634) 11.829 6.922 ( -1.071 -2.339 -5.773) 6.320 7.183 ( 1.276 -5.343 1.686) 5.746 7.455 ( 8.237 -8.898 0.189) 12.127 8.293 ( -2.050 2.796 10.601) 11.154 8.480 ( 6.810 -5.746 9.569) 13.075 8.785 ( 2.208 10.072 3.157) 10.784 8.922 ( -2.769 -7.098 8.875) 11.696 9.354 ( 5.346 10.188 -3.986) 12.176 9.527 ( -1.553 -12.541 -8.784) 15.389 9.782 ( -2.612 -0.331 0.940) 2.795 9.833 ( -1.785 -4.197 -4.737) 6.575 10.001 ( -4.950 -5.146 -1.967) 7.406 10.041 ( 13.309 7.072 -2.652) 15.303 10.715 ( -2.640 0.908 8.436) 8.885 10.800 ( 4.224 0.165 7.726) 8.807 10.983 ( -12.218 7.209 -1.040) 14.224 11.270 ( 7.535 1.249 -2.424) 8.014 11.612 ( -4.078 7.880 -4.422) 9.913 11.845 ( 2.879 -7.267 -1.662) 7.991 12.082 ( -2.921 0.200 0.143) 2.931 12.233 ( 7.448 -6.497 6.951) 12.083 12.698 ( 0.330 2.736 5.314) 5.986 12.791 ( -0.041 -7.130 1.964) 7.396 13.086 ( -4.597 0.213 -6.617) 8.060 13.214 ( 7.353 -0.297 -5.069) 8.936 14.080 ( -0.593 15.786 4.840) 16.522 14.372 ( -3.864 -18.221 5.419) 19.399 17.481 ( -6.709 6.219 -1.348) 9.246 17.626 ( -0.223 -1.919 -1.609) 2.514 17.697 ( -8.317 9.310 -5.017) 13.454 18.037 ( 9.645 -8.454 3.428) 13.276 18.577 ( -4.089 11.053 7.300) 13.862 19.009 ( 8.531 -19.222 5.496) 21.736 19.645 ( -9.615 0.985 -7.032) 11.953 19.816 ( 5.662 -0.497 -9.917) 11.430 20.338 ( -9.426 -0.083 4.754) 10.558 20.576 ( 17.453 2.262 1.912) 17.703 21.987 ( -7.282 1.056 1.080) 7.437 22.117 ( 5.601 0.550 -2.430) 6.130 22.797 ( 1.246 5.591 -1.596) 5.946 22.841 ( -4.385 -4.248 0.790) 6.156======================= Grid point 30 (31/84) =======================q-point: (-0.07 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 75Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.644 ( 32.374 -0.000 -0.000) 32.374 0.777 ( 39.538 -0.000 -0.000) 39.538 1.296 ( 66.037 -0.000 -0.000) 66.037 1.760 ( 4.930 -0.000 -0.000) 4.930 1.889 ( 3.291 -0.000 -0.000) 3.291 2.460 ( 1.500 -0.000 -0.000) 1.500 3.043 ( 8.267 -0.000 -0.000) 8.267 3.268 ( 2.078 -0.000 -0.000) 2.078 3.333 ( 3.296 -0.000 -0.000) 3.296 3.349 ( 3.861 -0.000 -0.000) 3.861 3.593 ( 13.974 -0.000 -0.000) 13.974 3.756 ( -10.419 0.000 0.000) 10.419 3.980 ( 0.303 -0.000 -0.000) 0.303 4.363 ( 4.332 -0.000 -0.000) 4.332 4.709 ( 3.496 -0.000 -0.000) 3.496 4.784 ( -6.977 0.000 0.000) 6.977 4.832 ( 0.824 -0.000 -0.000) 0.824 4.874 ( 10.507 -0.000 -0.000) 10.507 5.410 ( 2.960 -0.000 -0.000) 2.960 5.615 ( -8.314 0.000 0.000) 8.314 5.851 ( -5.312 0.000 0.000) 5.312 6.324 ( -2.485 0.000 0.000) 2.485 6.485 ( -1.015 0.000 0.000) 1.015 6.530 ( -4.837 0.000 0.000) 4.837 6.594 ( -5.688 0.000 0.000) 5.688 6.685 ( 6.831 -0.000 -0.000) 6.831 7.937 ( -5.079 0.000 0.000) 5.079 8.098 ( -0.106 0.000 0.000) 0.106 8.114 ( -11.095 0.000 0.000) 11.095 8.611 ( 3.563 -0.000 -0.000) 3.563 8.825 ( 5.818 -0.000 -0.000) 5.818 9.452 ( -8.692 0.000 0.000) 8.692 9.474 ( -0.667 0.000 0.000) 0.667 9.501 ( -4.020 0.000 0.000) 4.020 9.707 ( 6.534 -0.000 -0.000) 6.534 9.941 ( -6.087 0.000 0.000) 6.087 10.025 ( 6.906 -0.000 -0.000) 6.906 10.045 ( 2.440 -0.000 -0.000) 2.440 10.427 ( -10.600 0.000 0.000) 10.600 10.869 ( 4.278 -0.000 -0.000) 4.278 11.098 ( -1.070 0.000 0.000) 1.070 11.105 ( -4.492 0.000 0.000) 4.492 11.329 ( 1.887 -0.000 -0.000) 1.887 11.941 ( 2.165 -0.000 -0.000) 2.165 12.207 ( -6.577 0.000 0.000) 6.577 12.693 ( 2.529 -0.000 -0.000) 2.529 12.779 ( 3.837 -0.000 -0.000) 3.837 12.989 ( -4.905 0.000 0.000) 4.905 13.389 ( -8.341 0.000 0.000) 8.341 13.404 ( -3.709 0.000 0.000) 3.709 13.474 ( 5.083 -0.000 -0.000) 5.083 15.208 ( -2.074 0.000 0.000) 2.074 16.864 ( 10.193 -0.000 -0.000) 10.193 17.077 ( 1.453 -0.000 -0.000) 1.453 17.597 ( 1.431 -0.000 -0.000) 1.431 18.382 ( 0.576 -0.000 -0.000) 0.576 19.131 ( -9.814 0.000 0.000) 9.814 19.170 ( 5.296 -0.000 -0.000) 5.296 19.518 ( 0.181 -0.000 -0.000) 0.181 20.002 ( -1.380 0.000 0.000) 1.380 20.283 ( -3.207 0.000 0.000) 3.207 20.838 ( -8.522 0.000 0.000) 8.522 21.796 ( 3.480 -0.000 -0.000) 3.480 22.096 ( 0.854 -0.000 -0.000) 0.854 22.526 ( 1.089 -0.000 -0.000) 1.089 22.720 ( 5.128 -0.000 -0.000) 5.128======================= Grid point 31 (32/84) =======================q-point: ( 0.53 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.903 ( -0.930 8.643 0.644) 8.716 1.933 ( 1.848 3.582 0.820) 4.113 2.220 ( -8.005 11.654 2.910) 14.435 2.438 ( -3.836 15.465 12.464) 20.230 2.798 ( 4.302 3.101 4.825) 7.169 3.026 ( -1.133 -15.953 0.662) 16.006 3.179 ( 10.655 2.989 -0.969) 11.109 3.419 ( 2.673 -1.430 -4.288) 5.252 3.599 ( -20.501 -6.487 3.962) 21.865 3.830 ( -3.621 8.448 -5.431) 10.676 3.953 ( -15.539 13.499 0.022) 20.584 4.168 ( 3.565 7.068 -0.380) 7.925 4.391 ( -4.770 13.461 -0.335) 14.285 4.458 ( -15.695 7.006 -2.584) 17.381 4.565 ( -0.375 -1.620 -3.071) 3.492 4.635 ( -1.654 9.424 0.543) 9.584 5.135 ( 15.457 -3.572 -1.952) 15.984 5.221 ( 2.374 7.062 10.422) 12.811 5.392 ( 4.510 -4.094 5.514) 8.216 5.599 ( 1.106 -1.430 4.155) 4.531 5.856 ( 8.351 -3.015 1.807) 9.061 6.089 ( 5.887 -1.856 -0.713) 6.214 6.217 ( -10.633 0.640 -5.147) 11.831 6.554 ( 5.188 -8.245 0.169) 9.743 6.791 ( 3.496 -1.857 -3.824) 5.504 6.976 ( -1.478 10.272 2.288) 10.627 7.123 ( 5.134 -6.605 3.033) 8.898 7.429 ( 1.588 -5.262 3.016) 6.270 8.117 ( -8.672 -6.653 -11.032) 15.530 8.300 ( -2.420 -11.613 -4.338) 12.631 8.837 ( 3.345 -5.541 2.039) 6.786 9.176 ( 7.254 14.241 -11.489) 19.683 9.202 ( 1.053 -14.321 8.349) 16.610 9.398 ( -4.685 -3.488 0.983) 5.923 9.656 ( -4.128 -5.842 2.395) 7.543 9.823 ( 2.286 9.207 0.008) 9.487 10.122 ( 6.680 5.965 4.213) 9.897 10.416 ( 10.539 3.696 -3.145) 11.603 10.680 ( -0.192 -0.740 -4.040) 4.112 10.802 ( -3.818 2.693 0.735) 4.729 11.130 ( 9.466 7.727 -6.377) 13.783 11.418 ( 4.241 -0.065 -1.683) 4.563 11.612 ( -3.009 0.196 3.844) 4.886 11.805 ( 0.523 -1.146 5.819) 5.954 12.030 ( -1.481 0.000 -1.041) 1.810 12.172 ( 0.869 -7.461 -8.935) 11.673 12.479 ( -4.460 -10.936 1.335) 11.886 12.640 ( -8.910 -3.247 -1.883) 9.669 13.152 ( 2.578 2.698 5.060) 6.287 13.360 ( 6.253 1.164 1.209) 6.474 13.714 ( -17.546 -14.580 -1.312) 22.851 14.405 ( -1.635 10.090 -1.292) 10.302 17.412 ( -7.874 6.495 -6.219) 11.952 17.563 ( -1.591 -1.829 3.552) 4.300 17.835 ( -0.556 10.395 8.329) 13.332 18.033 ( 4.177 -6.753 -5.020) 9.394 18.717 ( 3.525 -5.565 -6.840) 9.497 19.014 ( 8.244 9.860 2.001) 13.007 19.454 ( -9.829 -2.453 4.197) 10.966 19.858 ( -11.988 -9.807 -2.414) 15.676 19.971 ( 2.218 -0.864 6.682) 7.093 20.837 ( 11.154 -9.356 1.836) 14.674 21.940 ( -1.576 7.326 -10.233) 12.684 22.401 ( 10.726 5.682 4.904) 13.091 22.667 ( -4.387 -4.282 -0.334) 6.139 22.901 ( -1.216 4.835 0.723) 5.038======================= Grid point 32 (33/84) =======================q-point: ( 0.12 0.21 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 211Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.843 ( 0.400 -1.529 6.736) 6.919 1.911 ( 5.106 -0.258 6.571) 8.326 2.114 ( 12.614 7.556 16.062) 21.776 2.340 ( 17.971 5.603 12.944) 22.845 2.525 ( 2.601 8.301 -0.366) 8.706 3.113 ( -5.482 4.811 0.010) 7.294 3.192 ( 8.351 4.229 -4.485) 10.380 3.318 ( 16.262 11.144 10.140) 22.169 3.498 ( -1.350 -10.515 11.947) 15.973 3.577 ( 8.570 -0.867 2.672) 9.018 3.886 ( 10.932 -2.220 -7.635) 13.517 3.994 ( 6.764 5.517 5.252) 10.187 4.240 ( -1.397 -1.887 4.455) 5.036 4.443 ( 1.463 4.896 9.447) 10.741 4.603 ( 1.814 -14.156 6.924) 15.863 4.722 ( 6.676 -5.584 -0.214) 8.706 4.921 ( 0.729 10.084 2.457) 10.405 5.302 ( 3.859 11.098 -2.719) 12.060 5.506 ( -3.264 1.621 7.635) 8.460 5.706 ( -10.021 2.490 2.281) 10.575 5.826 ( -7.460 0.028 -9.463) 12.049 6.085 ( -4.128 -8.091 1.845) 9.269 6.336 ( -0.601 -9.882 -3.774) 10.596 6.477 ( 1.607 3.488 1.025) 3.975 6.635 ( -1.343 8.832 3.105) 9.457 6.768 ( 3.007 6.129 0.457) 6.842 7.640 ( -4.534 -6.257 -2.154) 8.022 7.704 ( -8.943 -10.121 0.143) 13.507 7.998 ( -1.704 -1.657 -12.538) 12.761 8.315 ( -4.520 9.594 -8.673) 13.700 8.749 ( 4.268 -7.380 -5.004) 9.885 8.897 ( -2.929 -4.156 0.541) 5.114 9.361 ( -6.953 5.536 -0.676) 8.913 9.608 ( 4.809 -1.064 -5.142) 7.121 9.837 ( -2.963 -5.021 3.401) 6.750 9.900 ( 5.291 5.356 -4.655) 8.851 10.137 ( -1.640 -3.963 6.727) 7.978 10.282 ( -7.675 4.848 1.604) 9.219 10.466 ( -0.107 6.545 -0.706) 6.584 10.547 ( -3.229 4.702 -0.392) 5.718 10.998 ( -0.972 -8.785 3.415) 9.476 11.257 ( -1.756 4.334 -2.013) 5.091 11.552 ( 3.362 4.937 6.019) 8.480 11.937 ( -1.974 0.117 -0.716) 2.103 12.151 ( 1.238 -5.392 -0.283) 5.539 12.164 ( 1.940 -4.046 -12.335) 13.125 12.538 ( -1.625 3.610 -6.439) 7.559 12.860 ( 5.941 -7.506 -4.242) 10.471 13.217 ( -2.445 0.118 5.737) 6.237 13.413 ( -1.315 -2.338 0.695) 2.771 13.643 ( 6.387 9.132 -2.559) 11.434 14.471 ( -0.624 -8.470 -5.366) 10.046 17.264 ( 16.043 -1.927 3.434) 16.519 17.552 ( 2.265 9.141 6.909) 11.680 17.632 ( 2.540 3.843 5.442) 7.130 18.108 ( -3.912 -5.622 -8.621) 11.010 18.343 ( -9.941 8.032 -4.341) 13.498 19.348 ( -6.980 -6.366 -4.562) 10.491 19.559 ( 6.756 3.760 -0.292) 7.737 20.065 ( 3.859 -10.139 0.405) 10.856 20.204 ( -0.708 -1.205 3.455) 3.727 20.933 ( -14.698 -3.787 -0.371) 15.182 21.699 ( 6.735 1.400 -3.899) 7.907 22.270 ( -5.523 4.449 4.828) 8.580 22.742 ( 5.928 -0.811 -1.324) 6.128 22.836 ( 0.028 1.017 4.472) 4.586======================= Grid point 33 (34/84) =======================q-point: (-0.28 -0.22 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.993 ( 3.519 -0.120 -2.716) 4.447 2.059 ( 0.305 6.278 -8.640) 10.684 2.224 ( -19.453 -6.539 -16.526) 26.350 2.273 ( -5.295 -1.208 -13.482) 14.535 2.551 ( -0.542 -6.518 -4.235) 7.791 2.982 ( -1.065 8.820 3.332) 9.488 3.256 ( 0.333 -4.980 -4.908) 7.001 3.367 ( -4.888 7.764 3.024) 9.660 3.434 ( -1.214 -1.449 -4.660) 5.029 3.624 ( -2.841 -4.298 1.792) 5.455 3.768 ( -4.045 11.757 -12.951) 17.953 4.015 ( -2.796 -10.959 -4.301) 12.101 4.314 ( -9.249 8.901 1.535) 12.927 4.479 ( 6.825 5.352 -0.814) 8.711 4.704 ( -4.150 -18.243 -15.532) 24.317 4.760 ( -1.734 13.095 -0.981) 13.246 5.013 ( 0.490 -9.004 -0.885) 9.061 5.234 ( 2.895 -8.341 -3.052) 9.341 5.561 ( -5.289 -11.228 -0.030) 12.412 5.867 ( 9.694 1.713 -0.017) 9.844 5.938 ( 8.201 5.366 1.813) 9.967 6.152 ( 1.903 8.175 2.706) 8.819 6.231 ( -2.365 10.727 1.787) 11.129 6.284 ( -3.601 5.282 6.588) 9.179 6.664 ( -1.258 -7.426 1.847) 7.755 6.882 ( 0.768 -8.337 -7.740) 11.402 7.545 ( -2.036 1.202 8.088) 8.427 7.755 ( 4.609 3.759 14.029) 15.238 7.814 ( 1.995 6.749 0.214) 7.041 8.221 ( 0.822 -10.453 5.783) 11.974 8.824 ( 3.815 3.323 -12.558) 13.539 8.931 ( 0.676 0.462 0.903) 1.219 9.391 ( 4.703 -9.958 8.179) 13.718 9.497 ( 1.734 1.311 4.313) 4.830 9.614 ( -5.445 -10.022 7.729) 13.777 9.948 ( 0.373 12.154 -4.871) 13.099 10.283 ( 3.286 -4.539 -1.495) 5.800 10.319 ( -0.756 2.272 -2.861) 3.731 10.514 ( 4.042 -0.541 0.235) 4.085 10.774 ( -1.053 -6.141 -8.578) 10.602 11.214 ( 5.852 6.965 -10.448) 13.853 11.294 ( 7.852 -1.343 0.197) 7.969 11.568 ( -2.633 -0.207 -0.089) 2.643 11.815 ( -7.974 -3.102 3.377) 9.199 11.963 ( 2.293 0.836 2.147) 3.251 12.117 ( -2.881 6.709 2.103) 7.599 12.344 ( -6.989 -2.385 6.108) 9.583 12.703 ( 1.627 -0.450 4.969) 5.248 13.251 ( -7.642 -0.228 5.709) 9.541 13.367 ( 1.525 0.048 -4.235) 4.501 13.567 ( -1.019 -1.854 0.923) 2.308 14.486 ( 3.454 2.621 0.599) 4.377 17.082 ( -10.594 6.021 -6.728) 13.920 17.619 ( 0.351 -0.607 -3.216) 3.292 17.840 ( -1.140 -10.730 -13.167) 17.023 17.958 ( 0.427 1.822 8.139) 8.351 18.550 ( 15.844 -6.308 3.373) 17.384 19.224 ( -13.777 -5.878 6.723) 16.418 19.466 ( 5.462 1.283 1.243) 5.747 19.895 ( -2.965 13.489 6.524) 15.275 20.307 ( 1.439 1.019 -0.299) 1.788 21.039 ( 7.370 -6.386 6.488) 11.713 21.576 ( -6.730 14.319 -4.997) 16.592 22.456 ( 1.702 -6.907 -3.226) 7.811 22.688 ( 2.826 1.142 -1.456) 3.378 22.891 ( -2.315 -1.188 -1.937) 3.244======================= Grid point 34 (35/84) =======================q-point: (-0.68 0.35 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 211Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.884 ( -2.213 0.504 0.400) 2.305 1.913 ( -0.948 -4.396 -0.257) 4.505 2.546 ( 9.574 5.110 -6.311) 12.554 2.778 ( 2.473 -5.525 -10.763) 12.348 2.893 ( -3.100 -0.983 -10.101) 10.612 3.009 ( -2.771 7.648 0.395) 8.144 3.122 ( 0.295 -1.941 -3.687) 4.177 3.204 ( -4.147 2.848 5.779) 7.662 3.795 ( 3.227 0.238 2.390) 4.023 3.969 ( 7.601 4.603 8.714) 12.446 4.014 ( -4.634 -8.228 0.782) 9.476 4.176 ( -2.525 -4.025 4.276) 6.392 4.257 ( 15.852 1.438 -0.003) 15.917 4.594 ( -0.992 -4.207 -2.511) 4.999 4.652 ( -4.793 4.567 0.059) 6.621 4.798 ( 2.749 -6.906 -3.991) 8.436 4.886 ( 2.020 -9.313 -2.330) 9.810 5.115 ( -16.830 -3.762 -4.443) 17.808 5.579 ( 3.652 9.442 1.785) 10.280 5.628 ( 2.331 8.035 -3.732) 9.161 5.856 ( -2.092 -3.086 -4.181) 5.602 6.003 ( -4.806 -6.820 -1.435) 8.465 6.346 ( 3.036 4.030 2.618) 5.685 6.388 ( 4.474 -2.812 5.813) 7.856 6.783 ( -1.959 15.324 -7.186) 17.038 7.056 ( -1.253 -10.666 -7.336) 13.006 7.151 ( 0.192 10.010 -0.413) 10.020 7.406 ( -3.261 -10.290 -1.020) 10.842 8.010 ( 9.517 1.756 12.675) 15.947 8.156 ( -5.742 4.443 7.545) 10.470 8.780 ( -3.614 -1.373 1.203) 4.049 8.801 ( -2.589 -4.321 6.497) 8.221 9.387 ( 1.288 12.881 -3.934) 13.530 9.549 ( 6.819 -1.105 -1.959) 7.180 9.783 ( -0.132 -3.416 0.365) 3.438 9.902 ( 4.532 3.897 -5.204) 7.926 10.022 ( -4.076 -4.733 -0.155) 6.248 10.224 ( -7.327 -4.177 -2.248) 8.728 10.546 ( -0.681 6.026 5.852) 8.428 10.718 ( -6.384 -6.341 1.562) 9.133 11.114 ( 8.229 -5.371 0.345) 9.832 11.185 ( -8.462 5.677 4.955) 11.331 11.745 ( 0.953 5.371 -3.652) 6.564 11.876 ( -2.169 -3.885 -2.096) 4.918 12.028 ( 2.714 -0.073 2.008) 3.377 12.059 ( 1.858 -1.717 3.961) 4.700 12.570 ( 3.400 9.043 0.496) 9.673 12.734 ( 3.228 -5.073 0.445) 6.030 13.250 ( 0.924 -2.282 -4.331) 4.982 13.293 ( -4.327 0.145 -3.045) 5.293 13.914 ( 8.562 12.991 2.541) 15.765 14.284 ( -3.993 -11.545 6.055) 13.634 17.546 ( 9.331 0.762 -2.130) 9.601 17.685 ( 0.000 -1.694 -4.823) 5.111 17.809 ( -1.117 4.692 4.379) 6.514 17.945 ( -4.721 -4.397 -0.204) 6.455 18.491 ( -4.644 17.286 6.573) 19.068 18.843 ( -3.703 -19.771 1.355) 20.161 19.850 ( 9.272 -1.712 -8.728) 12.848 19.992 ( -0.011 8.848 -1.634) 8.998 20.085 ( 10.904 1.968 -0.895) 11.116 20.583 ( -15.150 -5.482 2.620) 16.323 21.926 ( 9.137 4.464 1.641) 10.301 22.240 ( -11.222 -4.541 -0.563) 12.119 22.766 ( 4.811 2.365 -1.031) 5.459 22.893 ( -2.567 -2.911 0.423) 3.904======================= Grid point 35 (36/84) =======================q-point: (-0.08 -0.08 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.682 ( -0.000 0.000 -30.932) 30.932 0.804 ( -0.000 0.000 -36.319) 36.319 1.351 ( -0.000 0.000 -59.882) 59.882 1.904 ( -0.000 0.000 -3.798) 3.798 1.964 ( -0.000 0.000 -4.139) 4.139 2.440 ( 0.000 -0.000 0.343) 0.343 2.969 ( -0.000 0.000 -2.174) 2.174 3.348 ( -0.000 0.000 -2.116) 2.116 3.351 ( -0.000 0.000 -4.532) 4.532 3.462 ( -0.000 0.000 -1.096) 1.096 3.482 ( -0.000 0.000 -4.207) 4.207 3.842 ( 0.000 -0.000 1.169) 1.169 4.260 ( 0.000 -0.000 5.247) 5.247 4.314 ( -0.000 0.000 -2.974) 2.974 4.733 ( 0.000 -0.000 0.102) 0.102 4.790 ( 0.000 -0.000 3.562) 3.562 4.791 ( -0.000 0.000 -2.202) 2.202 4.856 ( -0.000 0.000 -0.977) 0.977 5.574 ( -0.000 0.000 -13.177) 13.177 5.898 ( -0.000 0.000 -1.203) 1.203 6.275 ( 0.000 -0.000 2.885) 2.885 6.319 ( 0.000 -0.000 2.282) 2.282 6.357 ( 0.000 -0.000 3.452) 3.452 6.544 ( -0.000 0.000 -1.569) 1.569 6.546 ( 0.000 -0.000 3.465) 3.465 6.692 ( 0.000 -0.000 3.892) 3.892 7.956 ( 0.000 -0.000 2.524) 2.524 8.024 ( 0.000 -0.000 6.734) 6.734 8.224 ( 0.000 -0.000 1.637) 1.637 8.404 ( -0.000 0.000 -5.815) 5.815 8.473 ( 0.000 -0.000 11.385) 11.385 8.887 ( -0.000 0.000 -5.352) 5.352 9.549 ( -0.000 0.000 -0.673) 0.673 9.551 ( -0.000 0.000 -0.760) 0.760 9.906 ( 0.000 -0.000 10.234) 10.234 9.915 ( -0.000 0.000 -5.943) 5.943 10.007 ( -0.000 0.000 -0.725) 0.725 10.093 ( -0.000 0.000 -5.373) 5.373 10.545 ( -0.000 0.000 -1.245) 1.245 10.734 ( 0.000 -0.000 6.293) 6.293 11.258 ( -0.000 0.000 -7.403) 7.403 11.298 ( 0.000 -0.000 4.642) 4.642 11.306 ( -0.000 0.000 -0.079) 0.079 11.943 ( -0.000 0.000 -2.173) 2.173 12.135 ( 0.000 -0.000 9.150) 9.150 12.256 ( 0.000 -0.000 2.113) 2.113 12.657 ( 0.000 -0.000 6.979) 6.979 12.716 ( -0.000 0.000 -3.067) 3.067 13.113 ( -0.000 0.000 -5.660) 5.660 13.394 ( 0.000 -0.000 2.264) 2.264 13.470 ( -0.000 0.000 -2.557) 2.557 14.664 ( 0.000 -0.000 2.281) 2.281 16.790 ( -0.000 0.000 -2.630) 2.630 17.141 ( -0.000 0.000 -7.134) 7.134 17.573 ( 0.000 -0.000 0.673) 0.673 18.343 ( 0.000 -0.000 3.331) 3.331 18.887 ( 0.000 -0.000 0.311) 0.311 19.177 ( 0.000 -0.000 4.681) 4.681 19.512 ( 0.000 -0.000 0.239) 0.239 20.068 ( -0.000 0.000 -5.809) 5.809 20.277 ( 0.000 -0.000 3.415) 3.415 21.357 ( 0.000 -0.000 5.090) 5.090 21.961 ( 0.000 -0.000 7.102) 7.102 22.133 ( -0.000 0.000 -3.944) 3.944 22.555 ( -0.000 0.000 -3.473) 3.473 22.710 ( -0.000 0.000 -3.316) 3.316======================= Grid point 36 (37/84) =======================q-point: ( 0.51 -0.51 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 126Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.872 ( 3.316 -3.530 -0.000) 4.843 1.943 ( -0.924 7.740 0.000) 7.795 2.340 ( -4.820 2.980 0.000) 5.667 2.441 ( -11.683 13.004 0.000) 17.482 2.547 ( 9.647 -2.450 -0.000) 9.953 2.829 ( 17.960 8.560 -0.000) 19.895 3.073 ( -4.363 -18.740 -0.000) 19.242 3.468 ( 4.286 9.725 0.000) 10.627 3.745 ( -5.129 -11.270 -0.000) 12.382 3.992 ( -7.073 2.746 0.000) 7.587 4.088 ( -2.750 5.472 0.000) 6.124 4.208 ( 0.277 -2.261 -0.000) 2.277 4.521 ( -0.333 8.519 0.000) 8.525 4.595 ( 6.356 10.248 0.000) 12.059 4.698 ( -9.424 -3.917 0.000) 10.206 4.770 ( 0.601 2.925 0.000) 2.986 4.857 ( 4.742 -3.784 -0.000) 6.067 4.916 ( 10.773 3.593 -0.000) 11.356 5.496 ( -21.404 15.038 0.000) 26.159 5.597 ( 14.831 -9.762 -0.000) 17.756 5.614 ( -5.752 -3.405 0.000) 6.685 5.864 ( 12.918 0.140 -0.000) 12.919 6.413 ( 7.086 -13.395 -0.000) 15.154 6.469 ( -8.670 4.107 0.000) 9.594 6.773 ( 9.500 -7.354 -0.000) 12.014 6.810 ( -1.580 6.650 0.000) 6.835 7.252 ( -11.356 8.659 0.000) 14.281 7.321 ( 6.515 -4.128 -0.000) 7.713 8.401 ( -1.142 -8.805 -0.000) 8.879 8.462 ( -8.590 2.044 0.000) 8.829 8.776 ( -1.214 -18.785 -0.000) 18.824 9.126 ( -6.012 -10.015 -0.000) 11.681 9.238 ( 6.798 18.473 0.000) 19.684 9.436 ( 2.541 4.900 0.000) 5.520 9.654 ( -4.332 -5.173 0.000) 6.747 9.812 ( -5.999 -7.838 -0.000) 9.870 9.933 ( 6.224 9.732 0.000) 11.552 10.194 ( 13.200 9.144 -0.000) 16.058 10.814 ( -4.183 -1.948 0.000) 4.615 10.903 ( -1.831 1.631 0.000) 2.452 11.108 ( -0.732 4.881 0.000) 4.935 11.194 ( 12.907 -3.653 -0.000) 13.414 11.625 ( 3.470 -10.455 -0.000) 11.016 11.758 ( -4.651 10.752 0.000) 11.715 12.127 ( -7.710 2.532 0.000) 8.115 12.173 ( 5.215 -5.765 -0.000) 7.774 12.620 ( -9.720 -9.171 0.000) 13.364 12.921 ( -12.700 -2.787 0.000) 13.002 12.941 ( 7.994 6.032 -0.000) 10.015 13.186 ( 9.625 2.630 -0.000) 9.978 14.025 ( -10.173 -19.992 -0.000) 22.431 14.480 ( -1.435 16.695 0.000) 16.757 17.490 ( 0.057 -9.021 -0.000) 9.021 17.627 ( 1.038 4.729 0.000) 4.842 17.819 ( -12.168 13.098 0.000) 17.878 17.906 ( 12.973 -6.651 -0.000) 14.579 18.784 ( 4.775 -11.177 -0.000) 12.154 18.974 ( -4.812 20.584 0.000) 21.139 19.532 ( -7.424 -1.834 0.000) 7.647 19.741 ( 8.434 3.125 -0.000) 8.994 20.230 ( -18.124 -13.755 0.000) 22.752 20.606 ( 10.946 -6.777 -0.000) 12.874 22.051 ( 0.406 5.735 0.000) 5.750 22.137 ( 8.473 4.283 -0.000) 9.494 22.744 ( -3.105 -6.261 -0.000) 6.989 22.901 ( 1.117 5.452 0.000) 5.565======================= Grid point 38 (38/84) =======================q-point: (-0.29 -0.38 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 211Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.951 ( 3.999 0.551 -0.626) 4.085 2.090 ( 3.545 8.828 -1.335) 9.607 2.397 ( -0.664 1.056 -0.221) 1.267 2.703 ( -4.041 -11.971 -2.139) 12.815 2.863 ( -0.991 8.765 4.210) 9.774 2.942 ( -7.220 -2.614 -5.762) 9.600 3.155 ( -0.301 3.811 5.743) 6.899 3.291 ( 7.288 -2.854 -2.566) 8.237 3.549 ( -6.269 -9.117 0.420) 11.072 3.812 ( -7.427 4.378 -4.761) 9.848 4.130 ( -4.164 4.250 -6.572) 8.865 4.157 ( -0.354 2.336 -2.840) 3.694 4.402 ( -3.017 7.868 -2.093) 8.683 4.494 ( -8.726 3.678 0.596) 9.488 4.695 ( 0.357 3.743 1.465) 4.036 4.875 ( 3.065 4.164 1.082) 5.282 5.155 ( 8.942 0.004 -2.244) 9.219 5.207 ( -13.393 -1.145 -5.776) 14.631 5.581 ( 12.255 -4.308 13.723) 18.896 5.640 ( 14.578 8.921 -0.260) 17.093 5.841 ( -3.573 -12.334 -6.473) 14.381 6.082 ( -0.691 1.122 4.046) 4.256 6.199 ( -6.549 3.047 3.059) 7.844 6.396 ( 2.118 2.327 -6.660) 7.366 6.602 ( 2.134 -7.654 0.350) 7.954 6.936 ( -0.788 -7.951 -2.304) 8.315 7.297 ( 5.111 4.794 13.222) 14.964 7.563 ( -2.776 2.415 3.150) 4.844 7.859 ( -4.790 2.427 -5.627) 7.778 8.097 ( 1.678 -6.484 1.460) 6.855 8.849 ( 1.062 -0.567 4.093) 4.266 8.987 ( 7.256 -0.888 -10.402) 12.713 9.149 ( 1.999 -8.172 4.707) 9.640 9.411 ( -3.329 0.201 3.833) 5.081 9.588 ( -4.759 -7.543 4.287) 9.895 10.038 ( 1.740 12.075 -4.363) 12.956 10.256 ( 5.715 2.735 -4.057) 7.524 10.371 ( 1.157 3.450 -0.141) 3.642 10.499 ( 2.771 -2.538 -6.080) 7.147 11.001 ( 13.463 -1.420 -8.316) 15.888 11.059 ( -5.344 3.489 3.700) 7.377 11.226 ( 6.595 -2.391 -3.741) 7.950 11.643 ( -0.414 -3.891 1.454) 4.174 11.930 ( 0.236 -0.830 -2.069) 2.242 11.996 ( -7.060 -0.126 -3.823) 8.030 12.027 ( -2.211 5.804 5.488) 8.288 12.353 ( -1.690 -7.199 2.816) 7.913 12.646 ( -8.797 0.748 4.920) 10.107 13.291 ( -5.158 2.159 3.559) 6.628 13.380 ( 4.671 0.545 -1.297) 4.878 13.543 ( -5.401 -7.601 4.134) 10.200 14.481 ( -0.115 5.218 -4.413) 6.835 17.421 ( -8.077 6.302 -4.402) 11.150 17.643 ( -1.311 -2.009 4.793) 5.359 17.789 ( 2.912 -3.018 -1.500) 4.454 18.091 ( 1.758 2.186 -3.785) 4.711 18.326 ( 6.965 -10.770 -7.596) 14.907 19.253 ( 5.197 6.540 0.207) 8.355 19.459 ( -15.663 -7.180 1.817) 17.326 19.838 ( -5.074 10.835 7.651) 14.201 20.188 ( 2.385 2.469 7.127) 7.911 20.732 ( 8.304 -10.581 7.026) 15.175 21.856 ( -2.022 7.505 -10.508) 13.070 22.438 ( 7.463 -4.154 -2.291) 8.843 22.666 ( -2.414 1.382 2.541) 3.767 22.956 ( -0.730 1.471 -1.311) 2.101======================= Grid point 40 (39/84) =======================q-point: ( 0.31 0.19 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.907 ( -2.740 -0.973 1.667) 3.351 1.961 ( -2.527 -1.424 0.565) 2.955 2.456 ( 11.651 2.411 0.224) 11.900 2.673 ( 11.572 5.390 7.515) 14.813 2.776 ( 7.685 1.598 6.289) 10.058 2.986 ( 4.795 0.267 -5.548) 7.338 3.327 ( 0.585 6.425 -6.858) 9.416 3.332 ( -4.302 0.685 -2.768) 5.162 3.505 ( 4.409 -6.896 10.748) 13.509 3.694 ( 21.737 -4.345 0.146) 22.167 3.824 ( 2.064 2.765 2.089) 4.034 4.058 ( -5.376 -8.156 -0.707) 9.794 4.286 ( 2.035 8.393 2.789) 9.075 4.529 ( 3.620 -6.885 5.747) 9.672 4.575 ( 8.909 -0.818 -2.010) 9.169 4.932 ( -7.940 -0.477 0.471) 7.968 5.057 ( -7.816 3.341 0.941) 8.552 5.276 ( 0.865 3.380 0.821) 3.584 5.554 ( -13.848 -2.179 -4.161) 14.623 5.814 ( 4.558 3.923 0.584) 6.042 5.938 ( -1.294 2.996 3.742) 4.965 6.045 ( 4.855 -4.628 -0.350) 6.716 6.072 ( -3.244 2.852 7.214) 8.408 6.226 ( 6.558 -8.219 -9.756) 14.343 6.882 ( 6.595 6.421 -1.853) 9.389 7.039 ( -0.425 7.755 4.314) 8.884 7.490 ( -12.458 -4.729 -6.280) 14.731 7.530 ( -6.300 -3.709 -0.689) 7.343 7.663 ( 5.838 -4.510 -0.709) 7.411 8.311 ( -10.245 5.113 -3.986) 12.124 8.690 ( -0.104 -2.945 4.925) 5.740 8.864 ( -5.390 -0.596 0.014) 5.422 9.401 ( 2.000 0.706 -0.667) 2.223 9.544 ( -0.272 6.093 -3.881) 7.229 9.751 ( 0.399 -7.678 2.550) 8.100 9.935 ( 6.103 6.384 -5.717) 10.521 10.134 ( -7.136 -4.685 2.266) 8.832 10.328 ( -6.693 1.027 -0.905) 6.831 10.530 ( -1.519 11.050 -2.184) 11.365 10.762 ( -4.011 -8.276 7.629) 11.949 11.056 ( -2.755 2.534 12.066) 12.633 11.150 ( -0.416 -3.913 -9.744) 10.509 11.708 ( 4.980 2.907 0.529) 5.791 11.934 ( -0.122 1.529 -0.186) 1.545 11.961 ( 1.232 0.535 -0.164) 1.353 12.029 ( 0.986 -5.297 -2.277) 5.850 12.542 ( 3.717 6.040 -1.896) 7.342 12.659 ( 3.932 -5.585 -1.598) 7.014 13.314 ( -2.806 -0.223 1.801) 3.342 13.348 ( 1.574 -0.706 -1.638) 2.379 13.731 ( 9.096 4.378 -1.252) 10.172 14.319 ( -6.725 -3.881 0.771) 7.803 17.282 ( 17.551 -1.538 1.184) 17.658 17.639 ( 1.509 0.405 1.652) 2.274 17.849 ( -3.286 -1.013 -2.350) 4.164 18.029 ( -2.820 2.712 3.504) 5.252 18.527 ( -7.824 15.235 0.940) 17.152 19.064 ( -15.580 -13.998 -2.387) 21.080 19.647 ( 16.945 4.538 -0.705) 17.556 19.814 ( 8.648 -4.106 -3.436) 10.172 20.227 ( -4.376 -1.469 -0.299) 4.626 20.867 ( -16.462 -1.565 0.189) 16.537 21.654 ( 15.510 -0.476 0.254) 15.519 22.443 ( -11.134 2.320 2.335) 11.611 22.681 ( 5.638 -1.014 -1.205) 5.854 22.914 ( -0.882 -0.018 1.048) 1.370======================= Grid point 41 (40/84) =======================q-point: (-0.10 -0.24 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 129Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.658 ( -26.776 0.000 -22.312) 34.854 1.667 ( -11.955 0.000 -26.938) 29.472 1.937 ( 4.223 0.000 -4.527) 6.191 2.098 ( -2.181 0.000 -6.239) 6.609 2.433 ( 1.086 -0.000 -0.631) 1.256 2.682 ( -18.026 0.000 -38.228) 42.265 3.068 ( -3.040 0.000 -0.237) 3.049 3.271 ( 9.430 -0.000 -3.676) 10.122 3.557 ( -1.678 0.000 -3.864) 4.212 3.589 ( -7.838 0.000 -2.780) 8.316 3.622 ( -8.979 0.000 -0.862) 9.020 3.966 ( -5.828 0.000 -13.607) 14.803 4.064 ( 4.843 -0.000 2.792) 5.590 4.478 ( -8.343 0.000 -2.522) 8.716 4.667 ( 1.511 -0.000 5.786) 5.980 4.774 ( 2.910 -0.000 0.402) 2.938 4.825 ( -4.452 0.000 -8.128) 9.268 4.969 ( -2.092 0.000 -6.675) 6.995 5.590 ( 2.477 -0.000 9.546) 9.862 5.891 ( 18.441 -0.000 -1.613) 18.512 6.029 ( 4.918 -0.000 -1.434) 5.123 6.292 ( 0.296 0.000 -11.432) 11.435 6.358 ( 0.542 -0.000 3.835) 3.873 6.498 ( -4.002 0.000 3.513) 5.325 6.549 ( 3.855 -0.000 5.467) 6.690 6.633 ( -2.392 0.000 -2.158) 3.221 7.768 ( 4.254 -0.000 7.779) 8.866 7.935 ( -1.906 -0.000 4.104) 4.525 8.087 ( 8.510 -0.000 6.547) 10.737 8.205 ( -1.377 -0.000 8.423) 8.535 8.721 ( -8.828 0.000 0.951) 8.879 8.962 ( -1.691 0.000 -1.281) 2.121 9.440 ( 8.182 -0.000 5.209) 9.699 9.570 ( -0.873 -0.000 1.041) 1.359 9.677 ( -4.691 -0.000 11.766) 12.666 10.019 ( 3.252 0.000 -3.943) 5.111 10.100 ( -1.834 0.000 -6.574) 6.825 10.231 ( -1.234 0.000 -7.352) 7.455 10.538 ( 6.067 -0.000 -5.368) 8.101 10.579 ( 2.950 -0.000 5.625) 6.352 11.145 ( 4.597 -0.000 -3.145) 5.570 11.276 ( 3.715 -0.000 0.573) 3.759 11.441 ( -2.137 0.000 -7.139) 7.452 11.979 ( 2.631 -0.000 -0.805) 2.751 12.075 ( -11.069 -0.000 17.622) 20.810 12.199 ( -0.895 0.000 -0.087) 0.899 12.505 ( -1.604 -0.000 8.679) 8.826 12.805 ( -6.010 0.000 3.868) 7.147 13.244 ( 0.368 0.000 -6.073) 6.084 13.375 ( -5.463 0.000 4.777) 7.257 13.519 ( 1.089 0.000 -3.006) 3.197 14.579 ( 1.709 -0.000 4.818) 5.112 17.014 ( -12.777 0.000 -5.219) 13.802 17.374 ( -1.516 0.000 -12.320) 12.413 17.583 ( -1.042 0.000 -1.184) 1.577 18.219 ( 0.108 -0.000 8.521) 8.522 18.530 ( 19.704 -0.000 2.541) 19.867 19.316 ( -13.760 0.000 6.604) 15.263 19.483 ( 2.837 -0.000 0.777) 2.941 20.185 ( -1.453 -0.000 4.747) 4.965 20.216 ( 0.725 0.000 -7.454) 7.489 21.148 ( 6.441 -0.000 7.749) 10.076 21.753 ( 4.173 -0.000 1.882) 4.578 22.237 ( 0.818 0.000 -5.550) 5.610 22.656 ( -2.469 0.000 -1.870) 3.097 22.806 ( -1.618 0.000 -4.194) 4.496======================= Grid point 43 (41/84) =======================q-point: ( 0.10 -0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.716 ( -0.000 35.744 0.000) 35.744 0.785 ( -0.000 40.349 0.000) 40.349 1.200 ( -0.000 61.190 0.000) 61.190 1.791 ( -0.000 7.899 0.000) 7.899 1.870 ( -0.000 1.217 0.000) 1.217 2.654 ( -0.000 6.046 0.000) 6.046 2.985 ( -0.000 3.768 0.000) 3.768 3.258 ( -0.000 0.941 0.000) 0.941 3.379 ( 0.000 -6.477 -0.000) 6.477 3.401 ( -0.000 7.587 0.000) 7.587 3.457 ( -0.000 12.197 0.000) 12.197 3.916 ( 0.000 -7.686 -0.000) 7.686 4.057 ( -0.000 2.106 0.000) 2.106 4.291 ( -0.000 0.792 0.000) 0.792 4.506 ( 0.000 -9.842 -0.000) 9.842 4.753 ( 0.000 -1.034 -0.000) 1.034 4.870 ( -0.000 1.300 0.000) 1.300 4.926 ( -0.000 10.103 0.000) 10.103 5.568 ( -0.000 7.124 0.000) 7.124 5.771 ( -0.000 13.672 0.000) 13.672 5.914 ( 0.000 -1.267 -0.000) 1.267 6.348 ( 0.000 -5.056 -0.000) 5.056 6.499 ( 0.000 -8.430 -0.000) 8.430 6.531 ( -0.000 0.331 0.000) 0.331 6.629 ( 0.000 -1.587 -0.000) 1.587 7.386 ( 0.000 -5.888 -0.000) 5.888 7.841 ( 0.000 -16.381 -0.000) 16.381 8.004 ( 0.000 -11.598 -0.000) 11.598 8.318 ( 0.000 -2.287 -0.000) 2.287 8.485 ( 0.000 -6.757 -0.000) 6.757 8.531 ( -0.000 19.799 0.000) 19.799 8.849 ( -0.000 6.382 0.000) 6.382 9.448 ( 0.000 -3.892 -0.000) 3.892 9.507 ( 0.000 -3.145 -0.000) 3.145 9.567 ( -0.000 2.324 0.000) 2.324 9.847 ( -0.000 0.267 0.000) 0.267 10.033 ( -0.000 2.903 0.000) 2.903 10.566 ( -0.000 3.418 0.000) 3.418 10.774 ( 0.000 -4.107 -0.000) 4.107 10.944 ( 0.000 -6.477 -0.000) 6.477 11.174 ( -0.000 5.910 0.000) 5.910 11.313 ( -0.000 0.850 0.000) 0.850 11.836 ( -0.000 3.124 0.000) 3.124 12.176 ( 0.000 -9.569 -0.000) 9.569 12.214 ( 0.000 -3.620 -0.000) 3.620 12.672 ( 0.000 -0.495 -0.000) 0.495 12.679 ( 0.000 -6.018 -0.000) 6.018 12.793 ( 0.000 -4.846 -0.000) 4.846 13.101 ( 0.000 -17.741 -0.000) 17.741 13.133 ( -0.000 7.020 0.000) 7.020 13.441 ( -0.000 0.273 0.000) 0.273 13.778 ( -0.000 16.384 0.000) 16.384 16.840 ( -0.000 7.989 0.000) 7.989 17.148 ( -0.000 8.641 0.000) 8.641 17.578 ( 0.000 -0.637 -0.000) 0.637 18.594 ( 0.000 -12.285 -0.000) 12.285 18.912 ( -0.000 2.445 0.000) 2.445 19.085 ( 0.000 -3.666 -0.000) 3.666 19.373 ( -0.000 11.589 0.000) 11.589 19.919 ( 0.000 -8.850 -0.000) 8.850 20.194 ( 0.000 -12.107 -0.000) 12.107 21.378 ( 0.000 -3.858 -0.000) 3.858 22.083 ( -0.000 0.704 0.000) 0.704 22.172 ( -0.000 7.945 0.000) 7.945 22.563 ( -0.000 4.678 0.000) 4.678 22.664 ( 0.000 -0.327 -0.000) 0.327======================= Grid point 44 (42/84) =======================q-point: (-0.30 0.47 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.851 ( 5.040 -0.980 2.677) 5.791 2.053 ( 3.898 6.936 -2.306) 8.284 2.361 ( 5.081 -4.309 2.221) 7.023 2.643 ( 12.035 1.010 9.394) 15.300 2.734 ( -4.163 -9.094 1.721) 10.149 2.779 ( 1.898 5.426 3.034) 6.500 3.151 ( 3.768 11.424 6.638) 13.739 3.346 ( -1.887 -1.176 -7.633) 7.950 3.690 ( -9.208 -13.554 4.357) 16.955 3.952 ( 4.113 -2.499 -8.409) 9.688 4.072 ( 5.735 2.287 2.749) 6.758 4.280 ( -1.118 7.644 -2.577) 8.144 4.430 ( 15.854 -4.718 -0.693) 16.556 4.666 ( -3.451 0.112 1.645) 3.824 4.726 ( 3.464 2.889 4.695) 6.511 4.771 ( 0.669 8.731 -3.056) 9.274 4.871 ( 9.824 -4.667 -0.009) 10.876 5.230 ( -4.568 9.330 4.607) 11.363 5.383 ( 7.942 1.244 -2.786) 8.508 5.636 ( -6.721 4.321 -1.340) 8.102 5.829 ( -1.084 1.029 2.550) 2.956 5.937 ( 6.806 -2.297 9.828) 12.173 6.157 ( 2.375 -9.551 0.009) 9.842 6.396 ( -7.738 -6.809 0.888) 10.345 6.625 ( 8.983 -3.226 -2.115) 9.776 6.977 ( -0.493 0.516 0.557) 0.905 7.229 ( -8.296 7.806 -3.466) 11.907 7.507 ( -3.465 5.730 5.201) 8.479 8.139 ( -2.728 -6.043 -8.870) 11.074 8.241 ( -8.603 -6.995 -8.588) 14.025 8.694 ( -4.604 -2.941 9.261) 10.753 9.024 ( -5.691 -7.515 4.681) 10.525 9.188 ( 9.452 5.785 -16.640) 19.993 9.489 ( -9.553 -1.023 1.333) 9.700 9.628 ( -8.064 -7.260 2.163) 11.064 9.981 ( 5.418 10.585 9.685) 15.336 10.120 ( 6.373 6.576 1.567) 9.291 10.302 ( 10.865 4.675 -4.295) 12.583 10.665 ( -1.512 -1.431 -9.341) 9.570 10.855 ( 6.231 0.471 -4.864) 7.919 11.099 ( 9.278 -4.894 0.969) 10.534 11.177 ( 1.682 -0.566 -0.057) 1.775 11.530 ( 1.538 -4.743 5.017) 7.073 11.928 ( 0.090 3.372 -0.272) 3.385 12.091 ( -6.744 1.964 -1.284) 7.140 12.160 ( -4.363 1.305 -0.396) 4.572 12.446 ( -10.296 -6.277 -2.365) 12.288 12.803 ( -9.902 0.510 -2.125) 10.140 13.180 ( 1.410 3.144 8.352) 9.035 13.258 ( 6.892 3.072 1.077) 7.622 13.677 ( -8.441 -13.734 -0.879) 16.145 14.665 ( -4.141 9.697 -7.218) 12.778 17.392 ( 1.975 -6.362 6.582) 9.365 17.646 ( 1.356 1.324 -1.634) 2.503 17.782 ( 7.294 -3.832 -2.449) 8.595 18.094 ( -3.743 11.209 -1.617) 11.927 18.489 ( 2.330 -7.436 -9.894) 12.595 19.271 ( -1.920 15.073 -6.874) 16.677 19.721 ( -1.963 7.322 9.516) 12.166 19.819 ( -11.106 -8.599 -1.959) 14.182 19.950 ( -3.714 -1.402 8.128) 9.045 20.463 ( 2.668 -13.252 7.380) 15.402 22.046 ( 4.220 4.593 -8.692) 10.698 22.283 ( 8.504 2.448 1.568) 8.987 22.658 ( -3.012 -3.839 3.485) 5.996 22.972 ( 1.826 2.723 -0.991) 3.425======================= Grid point 46 (43/84) =======================q-point: (-0.11 -0.39 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 126Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.912 ( 4.134 -0.000 -2.690) 4.932 2.169 ( 2.429 0.000 -3.543) 4.295 2.250 ( -2.225 0.000 -9.031) 9.301 2.498 ( -4.886 0.000 -5.562) 7.403 2.607 ( -22.175 0.000 -15.693) 27.167 3.021 ( 2.405 -0.000 2.426) 3.416 3.179 ( 10.477 -0.000 -5.868) 12.008 3.347 ( -5.449 0.000 1.490) 5.649 3.528 ( -2.592 -0.000 11.916) 12.195 3.787 ( -1.736 0.000 -5.428) 5.699 3.863 ( -15.295 0.000 -5.003) 16.092 4.195 ( 2.445 0.000 -16.618) 16.796 4.455 ( -8.822 0.000 -8.158) 12.015 4.568 ( -4.306 0.000 1.763) 4.653 4.650 ( -6.407 0.000 2.589) 6.910 4.784 ( -2.311 0.000 -5.226) 5.714 5.074 ( 2.370 -0.000 2.652) 3.557 5.266 ( -9.945 0.000 -16.545) 19.303 5.348 ( 0.068 -0.000 1.100) 1.102 5.668 ( 9.633 -0.000 0.011) 9.633 5.826 ( 7.950 -0.000 2.090) 8.220 6.147 ( 10.027 -0.000 6.111) 11.743 6.380 ( 3.898 -0.000 0.040) 3.898 6.394 ( -1.222 -0.000 8.413) 8.502 6.575 ( -4.931 0.000 0.076) 4.931 6.753 ( 0.871 0.000 -6.352) 6.412 7.614 ( -2.328 0.000 2.370) 3.322 7.682 ( 6.835 -0.000 14.647) 16.163 7.886 ( 0.850 -0.000 1.259) 1.519 8.067 ( 2.538 -0.000 2.861) 3.824 8.787 ( 2.051 0.000 -4.495) 4.940 9.042 ( -1.922 0.000 -1.168) 2.249 9.104 ( 4.904 -0.000 10.885) 11.939 9.530 ( -2.889 -0.000 4.862) 5.655 9.587 ( -4.226 -0.000 5.621) 7.033 10.061 ( 4.475 0.000 -6.316) 7.741 10.156 ( 2.332 -0.000 -2.058) 3.110 10.412 ( 4.986 -0.000 1.102) 5.106 10.423 ( -2.843 0.000 -3.660) 4.635 10.631 ( 6.736 0.000 -13.197) 14.817 11.156 ( 5.881 -0.000 0.241) 5.886 11.219 ( -0.118 0.000 -1.926) 1.929 11.596 ( -1.541 0.000 -2.641) 3.057 11.918 ( 1.346 -0.000 0.513) 1.440 11.950 ( -8.306 0.000 5.024) 9.707 12.275 ( -1.656 0.000 -1.409) 2.174 12.295 ( 2.812 -0.000 9.419) 9.830 12.805 ( -7.653 0.000 6.686) 10.162 13.325 ( 3.174 0.000 -4.032) 5.132 13.398 ( -7.622 0.000 4.123) 8.666 13.534 ( 1.008 -0.000 0.808) 1.292 14.471 ( 1.652 -0.000 0.032) 1.652 17.402 ( -13.597 0.000 -4.564) 14.342 17.571 ( 0.985 0.000 -3.511) 3.647 17.791 ( -3.986 0.000 -14.040) 14.595 17.968 ( 1.605 -0.000 12.617) 12.719 18.183 ( 13.107 -0.000 -0.864) 13.135 19.378 ( 4.580 -0.000 0.973) 4.682 19.384 ( -8.180 0.000 4.667) 9.418 20.154 ( -4.858 0.000 4.388) 6.546 20.294 ( 1.503 -0.000 -0.535) 1.595 20.817 ( 5.483 -0.000 10.839) 12.147 21.746 ( 3.561 0.000 -6.815) 7.689 22.309 ( 2.827 0.000 -3.802) 4.738 22.725 ( -4.142 0.000 1.397) 4.371 22.915 ( -0.618 0.000 -3.294) 3.351======================= Grid point 47 (44/84) =======================q-point: (-0.51 0.18 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 211Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.843 ( 1.121 -2.140 -4.759) 5.337 1.925 ( -0.761 -1.152 -2.453) 2.815 2.240 ( 15.158 -5.077 -12.602) 20.356 2.494 ( 11.450 -10.222 -14.069) 20.821 2.718 ( 3.157 -10.544 1.398) 11.095 3.140 ( 3.984 4.232 6.001) 8.355 3.276 ( -4.434 3.378 -9.204) 10.760 3.339 ( -1.448 -1.598 2.661) 3.425 3.514 ( 8.749 -7.833 5.948) 13.164 3.659 ( 21.283 -7.775 -3.552) 22.935 3.863 ( 5.596 -1.376 3.320) 6.651 4.093 ( 11.174 -1.164 -11.787) 16.283 4.148 ( -4.076 4.017 7.196) 9.195 4.351 ( 0.110 -1.737 -6.976) 7.190 4.616 ( 3.131 0.722 -0.321) 3.230 4.715 ( 1.045 -6.072 -11.815) 13.325 5.085 ( -6.298 -4.807 0.458) 7.936 5.315 ( -8.300 3.315 0.286) 8.942 5.606 ( -7.379 4.957 -4.728) 10.068 5.686 ( 8.709 -10.827 -8.059) 16.063 5.858 ( -4.365 1.483 5.469) 7.153 6.071 ( -0.203 -2.533 1.970) 3.215 6.123 ( -4.542 8.545 4.222) 10.558 6.455 ( 4.177 3.467 10.198) 11.553 6.839 ( -0.997 -6.801 -9.019) 11.340 6.900 ( 6.130 -9.171 -2.924) 11.412 7.418 ( -10.866 12.703 -5.378) 17.560 7.567 ( -6.053 6.763 2.084) 9.312 7.927 ( 2.350 4.430 15.234) 16.038 8.402 ( -6.242 4.573 5.248) 9.350 8.704 ( 0.793 -7.332 5.129) 8.983 8.871 ( -5.503 0.341 0.946) 5.594 9.415 ( 1.164 -0.144 0.516) 1.281 9.623 ( -1.281 -0.163 2.844) 3.123 9.696 ( 1.735 5.546 -2.751) 6.429 9.903 ( 7.039 6.024 -8.185) 12.362 10.088 ( -7.061 -1.447 -1.408) 7.344 10.348 ( -10.367 -0.468 0.914) 10.418 10.634 ( -3.754 -5.144 -0.104) 6.369 10.712 ( -2.798 -12.569 7.846) 15.079 10.845 ( 1.201 3.268 -4.893) 6.005 11.319 ( -1.060 -1.502 5.234) 5.547 11.660 ( 3.289 -5.578 -5.111) 8.250 11.928 ( -1.832 1.377 -0.840) 2.441 12.046 ( 1.751 4.468 0.034) 4.799 12.069 ( 1.487 5.281 10.205) 11.586 12.599 ( 1.504 -2.418 3.154) 4.249 12.691 ( 5.086 9.433 1.313) 10.797 13.227 ( -2.098 -0.973 -5.062) 5.565 13.382 ( -2.426 1.031 -0.090) 2.638 13.776 ( 12.616 -2.494 3.936) 13.449 14.323 ( -4.746 4.060 0.529) 6.268 17.258 ( 16.213 -1.361 -0.564) 16.280 17.621 ( 1.916 -1.479 -0.398) 2.453 17.820 ( -0.237 -9.874 -8.519) 13.043 18.005 ( -2.740 4.318 5.802) 7.734 18.541 ( -8.743 -12.079 1.571) 14.994 19.130 ( -14.299 15.432 3.488) 21.326 19.596 ( 10.683 -0.158 -4.964) 11.781 19.916 ( 11.587 5.316 4.066) 13.381 20.159 ( -2.393 3.176 -4.865) 6.284 20.882 ( -17.279 0.719 1.637) 17.371 21.713 ( 13.797 -0.157 5.070) 14.700 22.374 ( -10.818 -5.832 -3.951) 12.910 22.711 ( 5.582 2.359 1.486) 6.239 22.870 ( -0.588 -2.372 -2.945) 3.827======================= Grid point 49 (45/84) =======================q-point: (-0.31 0.31 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 126Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.637 ( 11.938 -5.999 -0.000) 13.360 1.982 ( 11.073 1.752 -0.000) 11.211 2.121 ( 14.118 -4.247 -0.000) 14.743 2.201 ( 16.853 -0.975 -0.000) 16.881 2.660 ( 7.007 -5.052 -0.000) 8.638 2.905 ( -9.678 9.355 0.000) 13.460 3.064 ( -6.763 3.323 0.000) 7.536 3.458 ( 2.718 -5.145 -0.000) 5.819 3.604 ( 11.780 -8.824 -0.000) 14.718 3.868 ( 21.463 -10.460 -0.000) 23.876 4.003 ( 0.008 -3.302 -0.000) 3.302 4.047 ( 9.249 -11.197 -0.000) 14.523 4.063 ( 22.694 -4.447 -0.000) 23.126 4.370 ( -2.903 10.870 0.000) 11.251 4.755 ( 10.264 4.771 -0.000) 11.319 4.889 ( 5.241 4.881 -0.000) 7.161 5.032 ( -16.056 1.319 0.000) 16.110 5.036 ( 12.690 3.029 -0.000) 13.047 5.365 ( -1.945 2.278 0.000) 2.996 5.553 ( 5.284 -6.945 -0.000) 8.727 5.653 ( -3.557 -6.065 -0.000) 7.031 6.144 ( -15.829 9.217 0.000) 18.317 6.179 ( -0.439 -1.027 -0.000) 1.116 6.480 ( -2.387 -6.666 -0.000) 7.080 6.497 ( 0.699 -9.531 -0.000) 9.556 6.949 ( 6.752 4.412 -0.000) 8.065 7.422 ( -9.410 13.436 0.000) 16.403 7.588 ( -9.213 4.842 0.000) 10.408 8.286 ( -1.435 -12.025 -0.000) 12.110 8.517 ( -8.141 -9.288 0.000) 12.350 8.775 ( -10.793 9.174 0.000) 14.166 9.100 ( -7.166 -7.208 0.000) 10.164 9.361 ( 4.923 7.620 0.000) 9.072 9.493 ( 4.302 6.973 0.000) 8.193 9.682 ( -6.278 -3.633 0.000) 7.253 9.873 ( -16.284 -5.958 0.000) 17.339 10.005 ( 9.789 10.451 -0.000) 14.319 10.120 ( 9.743 5.862 -0.000) 11.371 10.712 ( 14.875 -13.290 -0.000) 19.947 10.889 ( -5.030 0.172 0.000) 5.033 10.942 ( 2.207 4.638 0.000) 5.137 11.147 ( -1.007 -4.291 -0.000) 4.407 11.437 ( 2.061 -4.319 -0.000) 4.786 11.952 ( -2.257 4.052 0.000) 4.638 12.051 ( 2.672 -1.045 -0.000) 2.869 12.487 ( -15.238 7.737 0.000) 17.090 12.696 ( -11.851 -4.961 0.000) 12.848 12.923 ( 5.603 4.618 -0.000) 7.261 13.083 ( 8.304 6.531 -0.000) 10.564 13.122 ( -11.188 -0.736 0.000) 11.212 13.799 ( -2.512 -15.852 -0.000) 16.049 14.840 ( -1.955 17.305 0.000) 17.415 17.271 ( 2.375 -9.422 -0.000) 9.717 17.471 ( 14.540 -4.148 -0.000) 15.120 17.691 ( 4.146 1.041 -0.000) 4.275 18.293 ( -9.692 11.468 0.000) 15.015 18.596 ( -0.119 -0.900 -0.000) 0.908 19.454 ( 6.293 15.419 0.000) 16.654 19.585 ( -3.056 -4.383 -0.000) 5.343 19.652 ( -0.500 9.157 0.000) 9.171 20.309 ( 1.648 -11.089 -0.000) 11.211 20.367 ( -23.466 -13.643 0.000) 27.144 22.036 ( 8.991 2.647 -0.000) 9.373 22.133 ( 1.752 4.201 0.000) 4.552 22.639 ( -0.045 -6.847 -0.000) 6.847 22.922 ( 4.680 2.678 -0.000) 5.392======================= Grid point 50 (46/84) =======================q-point: ( 0.28 -0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.465 ( -0.000 26.128 10.448) 28.139 1.644 ( -0.000 33.789 9.053) 34.981 1.937 ( -0.000 1.607 2.952) 3.361 2.000 ( -0.000 12.185 0.610) 12.201 2.632 ( -0.000 32.310 18.357) 37.161 2.764 ( -0.000 17.910 4.859) 18.558 2.978 ( 0.000 -3.408 -6.590) 7.419 3.322 ( -0.000 3.480 -6.839) 7.674 3.325 ( 0.000 0.370 6.106) 6.117 3.455 ( 0.000 -16.490 3.618) 16.882 3.615 ( -0.000 8.632 2.797) 9.074 3.884 ( -0.000 15.374 -3.072) 15.678 4.225 ( 0.000 -4.393 -4.482) 6.276 4.410 ( 0.000 1.684 23.091) 23.152 4.422 ( -0.000 3.416 -1.755) 3.840 4.674 ( 0.000 -2.093 -4.763) 5.203 5.005 ( -0.000 5.174 7.460) 9.079 5.210 ( -0.000 15.339 2.922) 15.615 5.599 ( 0.000 -3.987 0.055) 3.987 5.805 ( 0.000 -4.627 -2.111) 5.086 6.158 ( 0.000 -10.206 -4.162) 11.022 6.195 ( -0.000 10.911 3.365) 11.418 6.269 ( 0.000 -10.425 -2.323) 10.681 6.462 ( -0.000 2.187 -6.422) 6.784 6.695 ( -0.000 8.682 4.253) 9.668 7.049 ( -0.000 -4.130 -14.733) 15.301 7.542 ( 0.000 -14.530 1.650) 14.623 7.689 ( 0.000 -13.658 -1.359) 13.726 8.182 ( 0.000 -11.292 -8.979) 14.427 8.299 ( 0.000 -5.153 4.410) 6.782 8.891 ( -0.000 23.575 -6.368) 24.420 8.977 ( 0.000 -0.127 2.995) 2.998 9.419 ( 0.000 -5.024 0.898) 5.103 9.505 ( 0.000 -7.936 9.898) 12.687 9.613 ( 0.000 -0.914 1.982) 2.182 9.789 ( -0.000 1.505 -6.287) 6.464 10.184 ( -0.000 4.576 5.003) 6.780 10.646 ( 0.000 -2.896 -3.926) 4.879 10.683 ( -0.000 5.827 2.715) 6.429 10.727 ( 0.000 -6.282 -4.970) 8.010 11.353 ( -0.000 2.304 1.214) 2.605 11.408 ( -0.000 7.066 7.970) 10.651 11.765 ( -0.000 11.694 -21.761) 24.704 11.947 ( 0.000 -11.812 -0.623) 11.829 11.998 ( 0.000 -6.438 -9.170) 11.204 12.115 ( -0.000 3.992 -14.957) 15.481 12.471 ( 0.000 -8.542 -4.096) 9.473 12.695 ( 0.000 -4.271 5.561) 7.012 13.031 ( 0.000 -7.661 5.653) 9.521 13.378 ( 0.000 0.931 3.854) 3.965 13.471 ( 0.000 -0.116 2.313) 2.316 14.268 ( 0.000 1.534 12.421) 12.515 16.965 ( -0.000 10.274 -5.960) 11.878 17.537 ( -0.000 16.434 12.059) 20.384 17.565 ( 0.000 -1.105 0.839) 1.387 18.214 ( 0.000 -8.143 -8.756) 11.957 18.962 ( -0.000 3.996 -2.602) 4.769 19.145 ( 0.000 -12.024 9.906) 15.579 19.535 ( -0.000 6.174 -2.936) 6.837 19.835 ( 0.000 -19.249 -3.178) 19.510 19.883 ( 0.000 -3.603 10.801) 11.386 21.264 ( 0.000 -5.963 -0.366) 5.975 21.719 ( -0.000 7.027 -21.638) 22.751 22.512 ( -0.000 3.696 2.913) 4.705 22.685 ( -0.000 5.460 0.899) 5.534 22.727 ( 0.000 0.651 6.720) 6.751======================= Grid point 51 (47/84) =======================q-point: (-0.12 0.45 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 129Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.879 ( 3.444 -0.000 -0.519) 3.483 2.128 ( 4.365 -0.000 0.537) 4.398 2.297 ( 3.752 -0.000 -0.585) 3.797 2.639 ( -2.092 0.000 1.283) 2.454 2.875 ( 6.298 -0.000 2.120) 6.645 2.930 ( 10.528 -0.000 13.392) 17.034 3.232 ( -8.209 0.000 -5.286) 9.764 3.259 ( 1.605 0.000 -11.043) 11.159 3.566 ( -13.034 0.000 3.833) 13.586 3.796 ( 8.617 -0.000 -0.114) 8.618 4.134 ( -4.093 0.000 0.218) 4.099 4.361 ( 7.476 0.000 -8.278) 11.154 4.405 ( 1.329 -0.000 7.830) 7.942 4.625 ( 3.742 -0.000 -1.295) 3.960 4.774 ( -7.107 0.000 -4.087) 8.198 4.896 ( 8.599 -0.000 5.652) 10.291 5.099 ( -8.654 0.000 -3.697) 9.411 5.161 ( 12.033 -0.000 21.102) 24.292 5.438 ( 6.699 0.000 -12.391) 14.086 5.699 ( -0.017 0.000 -4.657) 4.657 5.718 ( -0.779 0.000 -0.280) 0.827 5.921 ( 0.952 -0.000 3.097) 3.240 6.351 ( -4.935 -0.000 5.233) 7.193 6.392 ( -2.275 -0.000 13.121) 13.317 6.451 ( 6.845 0.000 -11.382) 13.282 6.873 ( -0.105 0.000 -4.651) 4.652 7.407 ( -8.591 0.000 7.107) 11.149 7.648 ( -0.909 -0.000 2.088) 2.277 7.913 ( -0.244 0.000 -5.843) 5.848 8.050 ( -2.909 0.000 -3.180) 4.310 8.882 ( -5.711 -0.000 8.799) 10.490 8.898 ( 3.261 0.000 -10.565) 11.057 9.046 ( 0.584 -0.000 1.339) 1.461 9.553 ( -10.090 0.000 3.042) 10.539 9.582 ( -5.761 0.000 3.670) 6.830 10.085 ( 6.329 -0.000 -5.735) 8.540 10.191 ( 5.188 0.000 -6.754) 8.516 10.376 ( 4.729 -0.000 8.278) 9.534 10.439 ( 0.166 0.000 -8.544) 8.546 10.680 ( 13.749 -0.000 -7.850) 15.832 11.104 ( 1.800 0.000 -2.511) 3.089 11.173 ( -0.798 -0.000 5.301) 5.361 11.588 ( 0.931 -0.000 3.673) 3.789 11.916 ( 0.320 0.000 -1.062) 1.109 12.121 ( -3.746 0.000 1.637) 4.088 12.223 ( -9.795 0.000 -9.051) 13.337 12.255 ( 0.938 -0.000 3.695) 3.813 12.851 ( -9.576 0.000 3.698) 10.266 13.283 ( 5.580 -0.000 0.474) 5.600 13.435 ( 0.339 -0.000 6.211) 6.220 13.495 ( -6.040 0.000 -0.331) 6.049 14.566 ( -1.400 0.000 -8.758) 8.870 17.526 ( 3.003 -0.000 7.660) 8.227 17.628 ( -2.615 0.000 -0.483) 2.659 17.708 ( 2.780 -0.000 2.374) 3.655 18.089 ( 5.359 0.000 -6.825) 8.678 18.166 ( -2.330 0.000 -12.493) 12.708 19.338 ( 0.479 0.000 -2.802) 2.843 19.501 ( -6.356 0.000 -3.188) 7.111 20.140 ( -4.943 -0.000 5.897) 7.695 20.175 ( 1.390 -0.000 8.395) 8.509 20.532 ( -4.469 -0.000 13.511) 14.231 21.853 ( 7.090 0.000 -11.366) 13.396 22.289 ( 4.076 -0.000 -0.696) 4.135 22.738 ( -3.483 -0.000 4.622) 5.787 22.961 ( 2.149 0.000 -2.265) 3.122======================= Grid point 55 (48/84) =======================q-point: ( 0.27 -0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 123Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.429 ( -8.746 24.504 0.000) 26.018 1.538 ( -4.816 33.207 0.000) 33.554 1.917 ( -1.673 1.345 0.000) 2.146 1.992 ( 0.679 11.911 0.000) 11.930 2.652 ( -17.799 31.987 0.000) 36.606 2.822 ( -12.484 21.714 0.000) 25.047 3.205 ( -8.546 7.837 0.000) 11.595 3.219 ( 1.953 -4.110 -0.000) 4.550 3.366 ( -12.559 -6.918 0.000) 14.338 3.514 ( 0.500 -3.965 -0.000) 3.996 3.736 ( 4.147 16.815 0.000) 17.319 3.833 ( -9.960 -0.720 0.000) 9.986 4.057 ( 5.095 9.500 0.000) 10.780 4.396 ( -11.061 -3.473 0.000) 11.593 4.424 ( 2.182 2.693 -0.000) 3.466 4.750 ( 0.294 5.487 0.000) 5.495 4.837 ( 4.844 0.592 -0.000) 4.880 5.245 ( -6.175 11.617 0.000) 13.156 5.493 ( 7.614 -3.558 -0.000) 8.404 5.773 ( 8.893 -6.020 -0.000) 10.738 6.086 ( 6.607 9.130 0.000) 11.270 6.220 ( -0.871 -5.077 -0.000) 5.152 6.262 ( 1.326 -7.369 -0.000) 7.487 6.586 ( -5.006 1.528 0.000) 5.234 6.644 ( 0.571 5.057 0.000) 5.089 7.019 ( 16.315 1.237 -0.000) 16.362 7.468 ( 5.466 -16.059 -0.000) 16.963 7.655 ( 3.780 -12.259 -0.000) 12.829 8.327 ( -3.145 -10.884 -0.000) 11.329 8.495 ( -14.035 -15.023 0.000) 20.559 8.942 ( -1.887 -2.155 0.000) 2.865 8.954 ( 1.018 23.970 0.000) 23.991 9.306 ( 2.565 -8.281 -0.000) 8.669 9.427 ( 0.854 -3.143 -0.000) 3.256 9.629 ( -3.213 -0.815 0.000) 3.315 9.873 ( 0.950 1.730 0.000) 1.974 10.050 ( 5.413 4.806 -0.000) 7.239 10.551 ( 9.924 5.423 -0.000) 11.309 10.731 ( -2.668 -3.090 0.000) 4.082 10.762 ( 2.267 -4.192 -0.000) 4.766 11.303 ( 0.075 6.658 0.000) 6.659 11.371 ( 0.205 2.964 0.000) 2.971 11.480 ( 25.580 11.783 -0.000) 28.163 11.948 ( 1.023 -10.985 -0.000) 11.032 11.982 ( -0.639 1.924 0.000) 2.027 12.561 ( -2.113 -9.542 -0.000) 9.773 12.623 ( -3.053 -7.011 -0.000) 7.646 12.731 ( 3.520 -15.804 -0.000) 16.192 13.094 ( -0.417 1.179 0.000) 1.251 13.418 ( 3.512 0.911 -0.000) 3.628 13.583 ( -38.436 -21.167 0.000) 43.879 14.091 ( -2.040 14.590 0.000) 14.732 17.140 ( -7.747 13.890 0.000) 15.904 17.397 ( -2.338 12.897 0.000) 13.107 17.562 ( -1.034 -2.541 -0.000) 2.743 18.366 ( -0.940 -12.987 -0.000) 13.021 18.809 ( 13.831 10.092 -0.000) 17.121 19.014 ( -3.880 -8.464 -0.000) 9.311 19.626 ( 7.391 -11.580 -0.000) 13.738 19.703 ( -6.382 7.568 0.000) 9.899 20.001 ( -9.364 -15.250 -0.000) 17.896 21.185 ( 8.521 -6.604 -0.000) 10.781 22.035 ( 6.175 6.432 -0.000) 8.916 22.300 ( 5.186 8.673 0.000) 10.105 22.668 ( -2.672 -1.908 0.000) 3.284 22.710 ( -2.910 7.142 0.000) 7.712======================= Grid point 56 (49/84) =======================q-point: (-0.13 0.30 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 126Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.720 ( 7.213 -0.000 9.877) 12.230 2.013 ( 7.678 -0.000 -2.031) 7.942 2.062 ( 17.562 -0.000 5.414) 18.377 2.349 ( 16.545 -0.000 11.070) 19.907 2.560 ( 5.519 -0.000 -1.352) 5.682 2.922 ( -6.885 0.000 -4.561) 8.259 3.343 ( 0.682 -0.000 1.838) 1.961 3.396 ( -7.974 -0.000 10.217) 12.960 3.572 ( 15.906 -0.000 -10.624) 19.128 3.637 ( 26.842 -0.000 11.995) 29.400 3.823 ( 5.225 -0.000 -1.195) 5.360 4.146 ( 0.341 -0.000 9.153) 9.159 4.177 ( 18.903 -0.000 7.230) 20.238 4.538 ( -1.806 -0.000 5.829) 6.102 4.615 ( 14.046 -0.000 -13.915) 19.772 4.912 ( 1.686 0.000 -2.838) 3.301 5.023 ( -12.687 0.000 1.460) 12.771 5.240 ( 7.249 -0.000 -4.394) 8.477 5.283 ( 13.481 -0.000 11.272) 17.573 5.486 ( -6.232 0.000 -1.010) 6.313 5.841 ( 3.817 -0.000 14.571) 15.063 6.051 ( -5.908 0.000 -6.312) 8.646 6.159 ( -10.802 0.000 -4.239) 11.604 6.434 ( 1.026 -0.000 2.063) 2.304 6.499 ( -5.550 0.000 3.601) 6.616 6.928 ( 6.801 -0.000 -5.108) 8.506 7.609 ( -14.733 0.000 0.689) 14.749 7.642 ( -5.365 0.000 0.367) 5.377 8.044 ( 0.057 0.000 -4.311) 4.311 8.341 ( -10.166 0.000 -8.824) 13.461 8.960 ( -16.367 0.000 4.699) 17.028 9.004 ( 2.603 -0.000 -1.427) 2.968 9.119 ( 0.768 0.000 -12.960) 12.983 9.650 ( -7.957 0.000 2.047) 8.216 9.777 ( -11.403 0.000 -1.522) 11.505 9.946 ( 5.244 -0.000 16.743) 17.545 10.106 ( 4.709 0.000 -5.619) 7.332 10.145 ( 9.484 -0.000 -0.384) 9.492 10.507 ( 16.286 -0.000 -2.595) 16.492 10.699 ( -2.140 0.000 -12.043) 12.231 11.049 ( -0.148 -0.000 3.073) 3.077 11.145 ( -0.790 -0.000 0.922) 1.214 11.439 ( 2.902 -0.000 4.641) 5.474 11.945 ( -0.561 0.000 -1.965) 2.043 12.127 ( 0.993 -0.000 5.313) 5.405 12.408 ( -11.887 0.000 -10.490) 15.854 12.586 ( -7.947 0.000 -7.047) 10.621 12.994 ( -7.721 0.000 1.189) 7.812 13.117 ( 5.227 -0.000 2.273) 5.699 13.297 ( -2.531 -0.000 7.573) 7.985 13.591 ( -0.669 0.000 -1.637) 1.769 14.858 ( -3.191 0.000 -13.003) 13.389 17.258 ( 3.393 -0.000 7.701) 8.415 17.476 ( 12.739 -0.000 3.828) 13.302 17.675 ( 3.298 -0.000 -1.882) 3.797 18.342 ( -5.493 0.000 -16.714) 17.593 18.369 ( 0.515 0.000 -4.905) 4.932 19.458 ( -1.327 0.000 -5.232) 5.398 19.641 ( 5.347 -0.000 -1.403) 5.528 19.958 ( -3.077 -0.000 8.229) 8.785 20.113 ( -5.950 0.000 4.796) 7.642 20.440 ( -18.989 0.000 15.377) 24.435 21.935 ( 8.906 0.000 -9.907) 13.322 22.203 ( 3.804 -0.000 1.083) 3.956 22.653 ( -0.900 -0.000 6.704) 6.764 22.932 ( 5.055 -0.000 -1.485) 5.269======================= Grid point 57 (50/84) =======================q-point: ( 0.47 -0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 124Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.987 ( -0.000 10.350 2.890) 10.746 2.019 ( -0.000 0.910 2.059) 2.251 2.270 ( -0.000 15.825 -2.067) 15.960 2.376 ( -0.000 21.973 1.004) 21.996 2.642 ( 0.000 -5.814 -7.330) 9.356 2.761 ( -0.000 -0.888 -5.677) 5.746 3.046 ( 0.000 -0.821 -1.112) 1.382 3.385 ( 0.000 -2.193 4.942) 5.406 3.527 ( 0.000 0.965 4.639) 4.738 3.712 ( -0.000 12.764 -9.395) 15.849 3.752 ( 0.000 -1.025 0.922) 1.379 4.039 ( -0.000 -0.313 -2.594) 2.613 4.064 ( -0.000 16.610 12.986) 21.084 4.425 ( 0.000 -2.786 -3.059) 4.138 4.545 ( -0.000 1.446 -4.191) 4.434 5.007 ( 0.000 -1.302 19.138) 19.183 5.203 ( 0.000 -3.679 4.381) 5.721 5.456 ( -0.000 3.707 -6.344) 7.348 5.535 ( -0.000 7.044 -2.422) 7.448 5.814 ( -0.000 2.804 5.409) 6.093 5.887 ( 0.000 -3.446 1.231) 3.660 6.088 ( 0.000 -2.592 -0.750) 2.699 6.094 ( 0.000 -6.483 -9.378) 11.401 6.374 ( -0.000 4.589 -14.109) 14.836 6.713 ( 0.000 -3.179 -3.364) 4.629 7.020 ( -0.000 2.370 4.504) 5.089 7.405 ( 0.000 -8.056 6.488) 10.344 7.569 ( 0.000 -1.430 6.178) 6.341 7.818 ( 0.000 -6.549 -4.188) 7.773 8.287 ( 0.000 -9.194 6.675) 11.361 8.969 ( 0.000 -5.145 2.180) 5.588 9.063 ( -0.000 15.236 -15.031) 21.403 9.384 ( -0.000 0.897 1.017) 1.356 9.531 ( 0.000 -15.552 13.031) 20.290 9.564 ( 0.000 -4.247 0.232) 4.254 9.790 ( -0.000 10.358 -3.341) 10.883 10.324 ( -0.000 2.721 1.061) 2.921 10.467 ( 0.000 -8.043 -2.942) 8.564 10.574 ( -0.000 -0.089 -2.599) 2.601 10.852 ( -0.000 2.582 1.900) 3.206 11.438 ( 0.000 0.892 3.749) 3.853 11.476 ( -0.000 13.336 -23.517) 27.036 11.634 ( 0.000 -9.424 -7.839) 12.258 11.731 ( -0.000 6.239 6.426) 8.956 11.827 ( 0.000 -0.170 2.301) 2.307 11.977 ( 0.000 -3.962 -2.060) 4.465 12.272 ( 0.000 -4.232 -1.351) 4.442 12.726 ( 0.000 -6.001 6.365) 8.748 13.036 ( 0.000 -3.625 5.980) 6.993 13.433 ( -0.000 2.237 -1.959) 2.974 13.526 ( 0.000 -1.283 3.718) 3.933 14.451 ( -0.000 1.654 3.330) 3.719 16.997 ( -0.000 9.175 -8.027) 12.191 17.604 ( -0.000 1.249 2.721) 2.994 17.933 ( 0.000 -5.157 -4.193) 6.646 18.077 ( -0.000 8.493 6.757) 10.853 18.821 ( 0.000 -5.967 -7.458) 9.551 19.068 ( 0.000 -13.695 7.519) 15.623 19.545 ( -0.000 0.585 -0.845) 1.028 19.577 ( 0.000 -1.261 3.923) 4.121 20.155 ( 0.000 2.562 11.173) 11.463 21.162 ( 0.000 -6.921 2.534) 7.370 21.461 ( -0.000 12.022 -17.947) 21.602 22.544 ( -0.000 -0.200 -0.938) 0.959 22.770 ( -0.000 2.974 -1.092) 3.168 22.862 ( 0.000 -0.761 3.636) 3.714======================= Grid point 61 (51/84) =======================q-point: (-0.14 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.202 ( 25.115 -0.000 -0.000) 25.115 1.478 ( 33.100 -0.000 -0.000) 33.100 1.911 ( 11.356 -0.000 -0.000) 11.356 1.966 ( 5.505 -0.000 -0.000) 5.505 2.497 ( 58.169 -0.000 -0.000) 58.169 2.505 ( 3.260 -0.000 -0.000) 3.260 3.123 ( -1.180 0.000 0.000) 1.180 3.311 ( 1.987 -0.000 -0.000) 1.987 3.336 ( -6.674 0.000 0.000) 6.674 3.568 ( 19.231 -0.000 -0.000) 19.231 3.632 ( 2.460 -0.000 -0.000) 2.460 3.864 ( 9.191 -0.000 -0.000) 9.191 3.988 ( 0.543 -0.000 -0.000) 0.543 4.487 ( 11.757 -0.000 -0.000) 11.757 4.625 ( -8.484 0.000 0.000) 8.484 4.808 ( 6.791 -0.000 -0.000) 6.791 4.909 ( 7.090 -0.000 -0.000) 7.090 5.102 ( 12.624 -0.000 -0.000) 12.624 5.384 ( -15.620 0.000 0.000) 15.620 5.483 ( 4.488 -0.000 -0.000) 4.488 5.703 ( -9.922 0.000 0.000) 9.922 6.265 ( -3.337 0.000 0.000) 3.337 6.420 ( -5.703 0.000 0.000) 5.703 6.445 ( -9.610 0.000 0.000) 9.610 6.485 ( -0.418 0.000 0.000) 0.418 6.824 ( 8.144 -0.000 -0.000) 8.144 7.805 ( -8.348 0.000 0.000) 8.348 7.872 ( -13.819 0.000 0.000) 13.819 8.092 ( -0.460 0.000 0.000) 0.460 8.611 ( -4.470 0.000 0.000) 4.470 8.957 ( 6.472 -0.000 -0.000) 6.472 9.224 ( -14.846 0.000 0.000) 14.846 9.415 ( -3.553 0.000 0.000) 3.553 9.488 ( 2.792 -0.000 -0.000) 2.792 9.793 ( -8.852 0.000 0.000) 8.852 9.888 ( 12.124 -0.000 -0.000) 12.124 10.101 ( 3.368 -0.000 -0.000) 3.368 10.155 ( -17.054 0.000 0.000) 17.054 10.221 ( 13.641 -0.000 -0.000) 13.641 10.968 ( 5.660 -0.000 -0.000) 5.660 11.004 ( -5.812 0.000 0.000) 5.812 11.066 ( -2.170 0.000 0.000) 2.170 11.364 ( 1.755 -0.000 -0.000) 1.755 11.992 ( 2.841 -0.000 -0.000) 2.841 12.073 ( -6.413 0.000 0.000) 6.413 12.732 ( -0.692 0.000 0.000) 0.692 12.854 ( -9.211 0.000 0.000) 9.211 12.865 ( 4.776 -0.000 -0.000) 4.776 13.208 ( -7.947 0.000 0.000) 7.947 13.297 ( -7.547 0.000 0.000) 7.547 13.572 ( 4.287 -0.000 -0.000) 4.287 15.143 ( -4.870 0.000 0.000) 4.870 17.116 ( 2.584 -0.000 -0.000) 2.584 17.122 ( 15.899 -0.000 -0.000) 15.899 17.637 ( 2.723 -0.000 -0.000) 2.723 18.398 ( 1.011 -0.000 -0.000) 1.011 18.888 ( -14.647 0.000 0.000) 14.647 19.320 ( 10.351 -0.000 -0.000) 10.351 19.523 ( 0.332 -0.000 -0.000) 0.332 19.968 ( -1.912 0.000 0.000) 1.912 20.192 ( -6.268 0.000 0.000) 6.268 20.592 ( -16.966 0.000 0.000) 16.966 21.901 ( 7.403 -0.000 -0.000) 7.403 22.125 ( 2.369 -0.000 -0.000) 2.369 22.549 ( 1.121 -0.000 -0.000) 1.121 22.837 ( 6.505 -0.000 -0.000) 6.505======================= Grid point 62 (52/84) =======================q-point: ( 0.45 -0.29 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.880 ( -0.641 16.464 3.750) 16.898 1.964 ( 0.807 1.634 1.827) 2.581 2.169 ( 2.711 19.857 0.525) 20.048 2.389 ( -2.294 19.781 9.901) 22.239 2.832 ( 0.251 2.871 -0.834) 3.000 2.995 ( -5.455 -9.611 -5.313) 12.262 3.183 ( -9.523 -12.771 -3.563) 16.325 3.352 ( -2.042 8.011 -2.679) 8.690 3.411 ( -4.326 3.844 5.139) 7.739 3.671 ( -8.439 23.304 7.077) 25.775 3.759 ( -3.800 11.118 -2.644) 12.043 4.171 ( -3.693 8.827 -7.369) 12.077 4.214 ( -6.950 -1.822 -6.141) 9.452 4.406 ( 6.520 11.378 17.367) 21.762 4.524 ( -3.551 -0.151 -0.438) 3.581 4.669 ( 2.513 5.107 -5.524) 7.932 5.131 ( -5.459 2.664 10.071) 11.761 5.392 ( 9.825 3.059 -1.649) 10.422 5.567 ( 5.673 -0.928 8.183) 10.000 5.623 ( 3.258 2.608 0.076) 4.173 5.997 ( 0.981 -6.742 -3.549) 7.682 6.045 ( -0.436 -4.499 -3.350) 5.627 6.187 ( 2.513 -5.959 -1.936) 6.750 6.607 ( 0.471 2.445 -2.591) 3.594 6.872 ( 4.414 -3.696 -8.701) 10.433 6.923 ( -0.944 10.313 3.201) 10.840 7.245 ( 3.734 -9.721 4.562) 11.369 7.435 ( -0.336 -9.987 3.880) 10.719 7.980 ( -5.011 -11.740 -7.280) 14.695 8.235 ( -4.147 -9.439 -0.211) 10.312 8.894 ( 2.344 -5.207 2.375) 6.185 9.232 ( 2.681 -11.089 8.458) 14.202 9.305 ( 4.316 17.283 -10.042) 20.449 9.363 ( 0.768 -3.936 0.754) 4.080 9.590 ( -2.722 -4.617 1.097) 5.471 9.866 ( 1.784 8.452 -3.808) 9.441 10.228 ( 4.120 4.821 4.068) 7.534 10.549 ( 3.392 -1.334 -6.633) 7.568 10.668 ( -2.020 -2.080 -3.490) 4.537 10.766 ( 1.472 6.068 4.994) 7.995 11.408 ( 8.684 2.648 -4.939) 10.335 11.423 ( 5.831 2.899 -1.517) 6.686 11.616 ( 5.450 4.997 3.387) 8.133 11.777 ( -3.418 -6.463 3.001) 7.904 12.003 ( -2.041 0.716 -2.459) 3.275 12.189 ( -0.000 -8.873 -14.184) 16.731 12.380 ( -6.962 -9.350 0.115) 11.658 12.541 ( -0.317 -7.490 3.428) 8.243 13.086 ( -12.625 -4.281 2.998) 13.664 13.427 ( -5.826 -4.857 6.257) 9.833 13.459 ( 2.147 2.176 -1.047) 3.232 14.372 ( -1.411 7.088 2.785) 7.745 17.272 ( -5.925 12.910 -9.978) 17.359 17.538 ( -0.970 -2.706 3.559) 4.575 17.840 ( 0.663 13.175 11.251) 17.338 18.065 ( 0.011 -6.884 -6.231) 9.285 18.817 ( 6.221 -8.952 -2.919) 11.285 19.095 ( -2.844 5.825 4.382) 7.824 19.378 ( 4.610 -10.432 -0.944) 11.444 19.671 ( -7.473 -6.221 -1.470) 9.834 19.963 ( -2.945 2.482 9.068) 9.852 21.026 ( 8.141 -10.475 2.080) 13.428 21.906 ( -2.219 9.045 -16.455) 18.908 22.561 ( 2.268 3.763 3.434) 5.576 22.634 ( 4.647 -1.356 1.406) 5.040 22.856 ( -3.427 4.411 1.627) 5.818======================= Grid point 64 (53/84) =======================q-point: (-0.35 -0.15 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.983 ( 0.000 -7.581 -20.091) 21.473 2.052 ( -0.000 -0.885 -3.051) 3.176 2.060 ( -0.000 5.128 -12.484) 13.496 2.220 ( -0.000 1.719 -14.446) 14.547 2.559 ( 0.000 -4.610 -2.607) 5.296 2.967 ( -0.000 14.102 2.288) 14.287 3.262 ( 0.000 -6.386 -11.019) 12.736 3.280 ( -0.000 10.450 5.338) 11.735 3.438 ( 0.000 -3.999 -3.074) 5.044 3.638 ( 0.000 -8.176 -1.966) 8.409 3.706 ( -0.000 15.987 -10.431) 19.089 3.993 ( 0.000 -15.842 -3.557) 16.237 4.203 ( -0.000 8.536 5.397) 10.099 4.592 ( -0.000 6.864 -0.089) 6.865 4.627 ( -0.000 -6.506 -22.364) 23.291 4.748 ( 0.000 -0.017 4.791) 4.791 5.016 ( 0.000 -13.203 -2.986) 13.536 5.259 ( 0.000 -8.796 -10.147) 13.429 5.508 ( 0.000 -9.016 7.143) 11.502 5.999 ( -0.000 8.481 2.445) 8.827 6.044 ( -0.000 7.284 0.989) 7.351 6.128 ( -0.000 5.462 3.880) 6.700 6.190 ( -0.000 6.104 8.320) 10.319 6.248 ( -0.000 6.562 -1.926) 6.838 6.653 ( 0.000 -5.070 1.820) 5.387 6.890 ( 0.000 -7.411 -8.995) 11.655 7.523 ( 0.000 0.498 10.816) 10.827 7.789 ( -0.000 5.274 10.084) 11.380 7.845 ( -0.000 3.490 4.245) 5.495 8.224 ( 0.000 -10.713 5.604) 12.090 8.867 ( -0.000 4.101 -16.695) 17.191 8.937 ( 0.000 -2.200 2.292) 3.177 9.452 ( 0.000 -11.278 10.552) 15.444 9.528 ( 0.000 -4.673 7.873) 9.155 9.539 ( 0.000 -1.867 1.975) 2.718 9.951 ( -0.000 13.561 -4.932) 14.430 10.308 ( 0.000 -3.874 -0.318) 3.887 10.322 ( 0.000 -1.273 -3.736) 3.947 10.556 ( 0.000 -0.527 0.989) 1.120 10.752 ( 0.000 -5.789 -5.701) 8.125 11.291 ( -0.000 9.156 -13.605) 16.399 11.372 ( 0.000 -5.074 -2.423) 5.623 11.626 ( 0.000 2.486 10.396) 10.689 11.643 ( 0.000 -5.088 -7.331) 8.924 12.005 ( -0.000 6.639 5.078) 8.358 12.067 ( -0.000 2.973 0.042) 2.973 12.259 ( 0.000 -0.665 7.385) 7.414 12.741 ( 0.000 -4.667 4.600) 6.553 13.158 ( 0.000 1.315 6.460) 6.592 13.380 ( -0.000 -0.384 -4.351) 4.367 13.559 ( 0.000 -0.707 0.740) 1.023 14.524 ( -0.000 1.784 1.378) 2.255 16.975 ( -0.000 6.520 -8.093) 10.392 17.624 ( -0.000 0.280 -3.190) 3.202 17.827 ( 0.000 -13.322 -14.849) 19.949 17.963 ( 0.000 2.633 9.155) 9.526 18.797 ( 0.000 0.878 4.570) 4.654 18.991 ( 0.000 -11.536 8.481) 14.318 19.529 ( 0.000 -0.271 -0.794) 0.840 19.869 ( -0.000 11.592 8.331) 14.275 20.321 ( -0.000 0.629 -0.203) 0.661 21.122 ( 0.000 -5.675 5.683) 8.031 21.492 ( -0.000 17.521 -4.684) 18.136 22.463 ( 0.000 -5.246 -2.702) 5.901 22.747 ( -0.000 0.276 -3.648) 3.659 22.850 ( 0.000 -2.614 -0.711) 2.709======================= Grid point 65 (54/84) =======================q-point: ( 0.25 -0.58 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 211Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.851 ( -0.863 1.636 -0.858) 2.039 1.913 ( 0.602 -2.236 -0.523) 2.374 2.537 ( -12.276 7.895 -9.810) 17.586 2.691 ( -8.570 1.128 -12.460) 15.165 2.794 ( -5.794 8.120 -3.341) 10.520 3.064 ( 9.587 3.824 -7.790) 12.931 3.166 ( 3.145 -8.030 -0.406) 8.633 3.251 ( 6.284 -0.425 4.268) 7.608 3.755 ( -12.511 10.260 3.310) 16.515 3.878 ( 0.121 -3.303 3.574) 4.868 4.049 ( -2.308 -4.192 7.623) 9.001 4.141 ( -7.298 -4.553 4.298) 9.616 4.310 ( -12.399 19.984 -2.397) 23.639 4.452 ( -13.775 -10.276 -8.648) 19.238 4.538 ( 8.700 4.139 -6.472) 11.606 4.864 ( -9.819 -0.392 -4.423) 10.776 4.935 ( 8.452 -7.390 0.980) 11.270 5.098 ( 14.250 -5.598 -0.581) 15.321 5.523 ( -0.969 7.708 -3.283) 8.434 5.800 ( 4.084 -2.514 1.289) 4.966 5.827 ( -2.876 6.012 -5.882) 8.889 5.945 ( 4.014 -4.558 1.653) 6.294 6.210 ( -8.987 4.813 0.542) 10.209 6.497 ( 0.831 -4.306 6.471) 7.817 6.792 ( 2.828 11.379 -9.105) 14.845 7.055 ( -8.069 8.733 -3.755) 12.469 7.177 ( 11.578 -12.762 -2.914) 17.476 7.445 ( 5.984 -9.827 0.729) 11.528 8.014 ( -6.035 0.975 13.401) 14.729 8.232 ( 10.558 -1.904 11.278) 15.566 8.732 ( -1.912 0.353 2.000) 2.790 8.793 ( 2.069 -1.611 2.957) 3.953 9.417 ( 1.314 9.368 -1.609) 9.596 9.625 ( 0.077 -10.294 -1.156) 10.359 9.744 ( -3.617 3.718 1.670) 5.449 9.945 ( 5.525 -6.464 -2.089) 8.756 10.053 ( -5.939 -0.912 -3.637) 7.024 10.148 ( 8.374 1.955 -5.795) 10.369 10.564 ( 2.560 7.057 4.753) 8.885 10.661 ( 0.253 -2.203 3.794) 4.394 10.991 ( -10.448 4.592 -0.780) 11.440 11.259 ( 5.775 -1.026 3.233) 6.697 11.720 ( -3.022 6.407 -4.568) 8.429 11.881 ( 2.319 -3.097 -1.262) 4.069 12.069 ( 0.890 -3.178 6.710) 7.477 12.070 ( -0.118 -3.708 0.976) 3.836 12.607 ( 0.118 6.234 2.804) 6.837 12.759 ( -0.558 -8.694 1.008) 8.770 13.216 ( -1.920 1.259 -4.944) 5.451 13.314 ( 4.060 -1.890 -3.376) 5.609 13.963 ( -4.841 11.505 4.937) 13.423 14.251 ( 1.802 -11.637 4.842) 12.733 17.545 ( -11.932 1.148 -4.247) 12.717 17.650 ( -0.332 1.345 -1.024) 1.723 17.814 ( 0.062 5.999 -3.563) 6.977 17.932 ( 3.992 -4.314 4.585) 7.454 18.444 ( 0.909 16.055 4.433) 16.681 18.900 ( 8.656 -19.829 3.783) 21.964 19.803 ( -10.248 4.166 -6.307) 12.735 20.020 ( 3.951 -1.752 -7.886) 8.992 20.216 ( -9.593 -0.941 6.186) 11.454 20.528 ( 17.020 -4.239 1.884) 17.641 21.952 ( -10.086 4.275 1.956) 11.128 22.177 ( 8.247 -0.274 -2.781) 8.708 22.816 ( -4.254 -1.793 1.004) 4.724 22.841 ( 1.900 1.458 -1.842) 3.022======================= Grid point 67 (55/84) =======================q-point: ( 0.44 -0.44 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 123Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.904 ( -3.203 12.393 0.000) 12.800 1.919 ( 1.872 0.348 -0.000) 1.904 2.221 ( -7.732 22.736 0.000) 24.015 2.241 ( -3.161 11.560 0.000) 11.984 2.746 ( 8.198 1.821 -0.000) 8.398 3.001 ( -0.195 -15.695 -0.000) 15.697 3.191 ( 15.557 3.300 -0.000) 15.903 3.460 ( -8.178 -0.421 0.000) 8.189 3.590 ( -11.278 -6.000 0.000) 12.775 3.888 ( -1.495 12.280 0.000) 12.371 3.962 ( -10.321 13.072 0.000) 16.655 4.099 ( -10.322 2.644 0.000) 10.655 4.407 ( -7.553 25.877 0.000) 26.957 4.484 ( -13.943 -8.979 0.000) 16.584 4.578 ( -2.450 13.194 0.000) 13.419 4.761 ( 2.974 2.947 -0.000) 4.187 5.029 ( -3.873 11.342 0.000) 11.985 5.164 ( 16.553 -7.740 -0.000) 18.273 5.322 ( 6.998 -0.741 -0.000) 7.037 5.557 ( 0.046 -0.227 -0.000) 0.232 5.831 ( 10.779 -7.505 -0.000) 13.135 6.084 ( 9.109 -3.115 -0.000) 9.627 6.282 ( -10.181 0.288 0.000) 10.185 6.541 ( 5.923 -9.136 -0.000) 10.887 6.843 ( 4.683 1.647 -0.000) 4.964 6.949 ( 2.149 8.934 0.000) 9.189 7.095 ( 0.389 -3.183 -0.000) 3.207 7.393 ( 1.279 -9.078 -0.000) 9.167 8.263 ( -11.519 -7.805 0.000) 13.915 8.363 ( -3.405 -12.498 -0.000) 12.953 8.800 ( 3.058 -11.885 -0.000) 12.272 9.074 ( 0.667 -10.066 -0.000) 10.088 9.363 ( 5.632 22.294 0.000) 22.995 9.382 ( -4.392 -4.194 0.000) 6.074 9.614 ( -2.210 -5.400 -0.000) 5.835 9.824 ( 5.813 0.814 -0.000) 5.870 10.050 ( 5.965 7.671 -0.000) 9.718 10.449 ( 12.838 7.683 -0.000) 14.962 10.744 ( -3.086 -1.575 0.000) 3.465 10.800 ( -6.392 1.928 0.000) 6.676 11.230 ( 12.145 5.860 -0.000) 13.485 11.367 ( 4.887 2.549 -0.000) 5.511 11.631 ( -7.833 8.843 0.000) 11.814 11.705 ( 4.061 -11.085 -0.000) 11.805 12.040 ( -1.893 0.974 0.000) 2.129 12.275 ( 5.418 -10.955 -0.000) 12.222 12.464 ( -6.209 -11.780 -0.000) 13.316 12.681 ( -11.714 -4.724 0.000) 12.631 13.078 ( 5.705 3.614 -0.000) 6.753 13.344 ( 6.791 1.791 -0.000) 7.023 13.734 ( -20.117 -18.538 0.000) 27.356 14.417 ( -4.493 12.737 0.000) 13.506 17.481 ( -1.076 -6.075 -0.000) 6.170 17.618 ( -8.624 15.687 0.000) 17.901 17.638 ( 0.199 8.069 0.000) 8.072 18.097 ( 6.241 -9.284 -0.000) 11.187 18.847 ( 1.431 -11.476 -0.000) 11.565 18.940 ( 2.126 20.142 0.000) 20.254 19.414 ( -4.127 -4.351 0.000) 5.997 19.851 ( 2.502 4.236 0.000) 4.920 19.925 ( -13.598 -16.084 0.000) 21.062 20.812 ( 10.663 -12.220 -0.000) 16.218 22.097 ( 3.664 8.742 0.000) 9.478 22.306 ( 8.881 6.438 -0.000) 10.969 22.671 ( -3.932 -4.972 0.000) 6.339 22.893 ( -1.814 5.958 0.000) 6.228======================= Grid point 69 (56/84) =======================q-point: (-0.36 -0.30 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 211Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.015 ( 2.279 0.646 0.589) 2.441 2.152 ( 2.666 10.031 -1.878) 10.547 2.414 ( 2.293 6.925 -4.209) 8.421 2.603 ( -8.404 -7.618 -11.213) 15.950 2.694 ( -8.307 -9.028 -7.540) 14.400 2.902 ( 0.186 14.232 3.622) 14.687 3.150 ( -0.411 4.714 7.644) 8.990 3.383 ( 2.042 -2.348 -0.803) 3.214 3.518 ( -2.499 3.116 -2.701) 4.822 3.645 ( -2.607 -3.187 -3.808) 5.608 4.033 ( -4.350 12.162 -9.270) 15.899 4.124 ( -3.851 0.109 -4.370) 5.825 4.240 ( -10.198 -8.376 0.851) 13.224 4.483 ( 4.537 13.966 2.249) 14.856 4.682 ( -1.750 9.379 0.093) 9.542 4.948 ( 0.450 2.000 6.504) 6.819 5.023 ( -1.983 -10.379 -8.278) 13.423 5.332 ( 8.463 -5.019 -4.906) 10.995 5.663 ( -9.561 -7.685 -7.247) 14.247 5.798 ( 7.520 2.545 10.137) 12.876 5.883 ( 9.142 -1.028 1.645) 9.346 6.063 ( -1.952 7.040 3.981) 8.320 6.115 ( -2.219 4.212 4.347) 6.447 6.433 ( 0.485 3.164 -16.300) 16.611 6.627 ( 1.548 -6.658 1.167) 6.934 6.950 ( 2.848 -6.115 0.706) 6.782 7.348 ( -3.126 2.169 9.811) 10.523 7.536 ( 1.831 -2.893 6.665) 7.493 7.789 ( -2.388 2.953 1.874) 4.235 8.119 ( 0.537 -7.255 3.423) 8.040 8.868 ( 0.895 -2.366 3.248) 4.117 9.123 ( 5.799 -11.597 0.593) 12.979 9.211 ( 3.902 -0.183 -8.120) 9.011 9.396 ( 0.941 1.084 5.299) 5.490 9.525 ( -2.112 -4.115 2.028) 5.051 10.052 ( 0.058 14.146 -4.198) 14.755 10.343 ( 2.993 0.841 -2.293) 3.863 10.375 ( -0.122 0.628 -4.070) 4.120 10.551 ( 2.286 -0.864 -3.589) 4.342 10.925 ( -6.176 -0.385 -2.985) 6.871 11.289 ( 14.288 -0.201 -1.497) 14.368 11.364 ( 6.607 -2.486 -2.558) 7.509 11.632 ( 0.108 1.377 -5.845) 6.006 11.855 ( -5.365 -2.906 -4.730) 7.721 11.927 ( -2.796 0.721 0.830) 3.005 11.986 ( -2.406 4.215 7.129) 8.624 12.279 ( -6.240 -4.004 1.305) 7.529 12.560 ( 0.537 -3.536 7.922) 8.692 13.117 ( -10.718 -2.082 6.014) 12.465 13.450 ( 2.298 1.154 -3.131) 4.052 13.498 ( -0.295 -2.096 5.264) 5.674 14.485 ( 0.510 2.873 -0.311) 2.934 17.269 ( -6.742 9.761 -10.466) 15.820 17.630 ( -0.222 0.262 5.394) 5.405 17.834 ( 1.771 -3.169 -1.789) 4.047 18.106 ( 0.121 -2.583 -7.352) 7.794 18.501 ( 11.142 -8.819 -0.418) 14.216 19.085 ( -16.966 -7.608 5.448) 19.376 19.439 ( 7.733 4.104 1.335) 8.856 19.748 ( -4.702 8.912 6.860) 12.190 20.213 ( 0.371 2.020 8.117) 8.372 20.905 ( 8.839 -9.867 5.587) 14.377 21.778 ( -5.624 11.271 -12.721) 17.901 22.518 ( 0.936 -4.216 -2.387) 4.934 22.703 ( 5.978 1.507 0.505) 6.186 22.916 ( -3.439 0.597 -0.614) 3.544======================= Grid point 71 (57/84) =======================q-point: ( 0.24 0.26 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.868 ( -1.089 1.046 0.797) 1.707 1.920 ( -1.380 -3.536 -0.053) 3.796 2.649 ( 6.975 10.132 -1.436) 12.385 2.871 ( 7.075 -1.511 6.153) 9.497 2.922 ( 5.012 4.641 6.842) 9.668 3.014 ( 4.322 -2.060 -7.710) 9.076 3.170 ( -7.819 3.585 -0.180) 8.603 3.249 ( -9.120 -1.015 -4.450) 10.198 3.727 ( 12.881 6.064 4.890) 15.053 3.804 ( -1.056 4.096 -0.113) 4.231 3.991 ( -0.559 -14.174 0.958) 14.217 4.082 ( 3.377 -10.532 -0.387) 11.067 4.334 ( 11.451 16.283 -1.228) 19.944 4.599 ( -1.966 2.157 3.365) 4.455 4.652 ( 2.842 -6.618 2.638) 7.670 4.871 ( -3.601 -8.916 -3.208) 10.137 4.945 ( 2.108 -3.457 -1.523) 4.326 5.132 ( -14.293 -4.138 2.747) 15.131 5.499 ( 6.594 12.100 0.075) 13.780 5.795 ( -6.867 3.111 -8.038) 11.020 5.870 ( -1.966 3.835 3.055) 5.283 5.972 ( -1.902 -11.092 4.603) 12.159 6.233 ( 7.617 8.216 3.678) 11.792 6.378 ( 6.453 -5.111 -3.703) 9.026 6.921 ( -2.079 10.972 -1.231) 11.235 7.069 ( 2.111 13.233 1.094) 13.445 7.250 ( -7.620 -12.024 -1.051) 14.274 7.424 ( -4.564 -10.786 -1.260) 11.780 7.832 ( 11.169 -0.733 0.234) 11.195 8.079 ( -13.045 1.003 -1.630) 13.185 8.712 ( 2.182 -1.504 0.971) 2.823 8.773 ( -3.962 -1.709 0.244) 4.322 9.428 ( 0.371 9.625 -0.476) 9.644 9.600 ( 5.369 -4.449 -2.524) 7.415 9.749 ( -0.736 -0.006 1.791) 1.937 9.953 ( -6.352 -4.829 -0.142) 7.980 10.072 ( 3.731 4.620 -2.570) 6.470 10.233 ( -3.397 -4.513 1.632) 5.880 10.495 ( -1.386 10.346 -1.332) 10.523 10.673 ( -3.651 -4.154 3.301) 6.441 11.058 ( 2.183 1.595 5.306) 5.955 11.161 ( -0.204 -3.575 -4.490) 5.743 11.778 ( 2.331 5.144 0.630) 5.683 11.892 ( -2.393 -1.042 -0.145) 2.614 11.996 ( 1.285 -0.355 0.150) 1.341 12.042 ( 0.285 -4.788 -1.414) 5.000 12.573 ( 1.246 8.286 -0.690) 8.408 12.741 ( 1.945 -7.679 -0.727) 7.954 13.285 ( 0.008 0.982 1.146) 1.509 13.340 ( -1.355 -2.072 -0.917) 2.640 13.896 ( 6.462 10.206 -1.070) 12.127 14.201 ( -4.782 -9.504 0.857) 10.673 17.604 ( 12.743 1.832 -1.536) 12.965 17.686 ( 4.914 0.004 4.052) 6.369 17.789 ( -2.529 -1.588 -2.837) 4.119 17.925 ( -8.567 -1.178 1.430) 8.765 18.405 ( -3.959 21.461 1.129) 21.852 18.847 ( -6.130 -20.329 -1.350) 21.276 19.905 ( 7.753 9.661 3.286) 12.816 20.057 ( 16.296 0.027 -6.358) 17.493 20.133 ( -4.623 -4.504 -0.152) 6.456 20.524 ( -17.639 -7.820 1.825) 19.381 21.918 ( 11.398 6.258 -0.840) 13.030 22.226 ( -10.397 -2.362 1.644) 10.788 22.791 ( 5.226 -0.332 -1.216) 5.376 22.876 ( -3.043 -0.629 1.196) 3.330======================= Grid point 72 (58/84) =======================q-point: (-0.17 -0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.325 ( -0.000 0.000 -28.446) 28.446 1.546 ( -0.000 0.000 -31.698) 31.698 1.993 ( -0.000 0.000 -3.766) 3.766 2.075 ( -0.000 0.000 -6.517) 6.517 2.450 ( -0.000 0.000 -1.632) 1.632 2.519 ( -0.000 0.000 -44.908) 44.908 3.035 ( -0.000 0.000 -3.703) 3.703 3.412 ( -0.000 0.000 -3.653) 3.653 3.461 ( -0.000 0.000 -5.410) 5.410 3.478 ( 0.000 -0.000 0.117) 0.117 3.595 ( -0.000 0.000 -4.771) 4.771 3.907 ( -0.000 0.000 -7.559) 7.559 4.118 ( 0.000 -0.000 5.337) 5.337 4.377 ( -0.000 0.000 -1.196) 1.196 4.708 ( 0.000 -0.000 2.349) 2.349 4.772 ( -0.000 0.000 -4.567) 4.567 4.798 ( 0.000 -0.000 0.721) 0.721 4.957 ( -0.000 0.000 -7.668) 7.668 5.613 ( 0.000 -0.000 9.175) 9.175 6.073 ( -0.000 0.000 -7.810) 7.810 6.193 ( 0.000 -0.000 4.404) 4.404 6.266 ( 0.000 -0.000 4.554) 4.554 6.321 ( -0.000 0.000 -5.965) 5.965 6.436 ( 0.000 -0.000 6.663) 6.663 6.588 ( 0.000 -0.000 5.512) 5.512 6.611 ( -0.000 0.000 -5.538) 5.538 7.820 ( 0.000 -0.000 11.799) 11.799 7.906 ( 0.000 -0.000 1.463) 1.463 8.175 ( 0.000 -0.000 2.762) 2.762 8.188 ( 0.000 -0.000 15.045) 15.045 8.593 ( -0.000 0.000 -11.680) 11.680 8.951 ( -0.000 0.000 -0.757) 0.757 9.552 ( 0.000 -0.000 0.893) 0.893 9.567 ( -0.000 0.000 -0.755) 0.755 9.598 ( 0.000 -0.000 17.508) 17.508 10.052 ( -0.000 0.000 -3.516) 3.516 10.083 ( -0.000 0.000 -8.946) 8.946 10.226 ( -0.000 0.000 -5.221) 5.221 10.589 ( -0.000 0.000 -2.943) 2.943 10.609 ( 0.000 -0.000 4.627) 4.627 11.230 ( -0.000 0.000 -0.651) 0.651 11.309 ( -0.000 0.000 -0.243) 0.243 11.424 ( -0.000 0.000 -7.574) 7.574 11.903 ( 0.000 -0.000 11.658) 11.658 12.011 ( -0.000 0.000 -3.955) 3.955 12.188 ( 0.000 -0.000 4.115) 4.115 12.477 ( 0.000 -0.000 9.484) 9.484 12.751 ( 0.000 -0.000 0.426) 0.426 13.245 ( -0.000 0.000 -6.255) 6.255 13.316 ( 0.000 -0.000 5.121) 5.121 13.530 ( -0.000 0.000 -2.461) 2.461 14.602 ( 0.000 -0.000 3.099) 3.099 16.882 ( -0.000 0.000 -6.121) 6.121 17.359 ( -0.000 0.000 -12.661) 12.661 17.573 ( -0.000 0.000 -1.047) 1.047 18.220 ( 0.000 -0.000 8.254) 8.254 18.868 ( 0.000 -0.000 1.624) 1.624 19.038 ( 0.000 -0.000 7.784) 7.784 19.512 ( -0.000 0.000 -0.336) 0.336 20.169 ( 0.000 -0.000 6.494) 6.494 20.223 ( -0.000 0.000 -7.432) 7.432 21.216 ( 0.000 -0.000 7.450) 7.450 21.791 ( 0.000 -0.000 7.376) 7.376 22.246 ( -0.000 0.000 -6.166) 6.166 22.648 ( -0.000 0.000 -4.788) 4.788 22.781 ( -0.000 0.000 -2.840) 2.840======================= Grid point 75 (59/84) =======================q-point: ( 0.63 -0.46 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.936 ( 3.661 0.202 1.535) 3.975 2.117 ( 2.644 10.542 -0.949) 10.909 2.406 ( 1.465 5.579 -0.542) 5.793 2.679 ( -1.028 -14.551 2.393) 14.782 2.748 ( 0.102 14.241 5.611) 15.307 2.862 ( 6.523 2.692 7.271) 10.132 3.236 ( -2.383 2.957 -6.194) 7.265 3.346 ( 1.969 -6.118 -3.488) 7.312 3.491 ( -4.798 -5.358 3.631) 8.057 3.948 ( -5.103 5.342 -6.889) 10.101 4.187 ( -6.197 9.356 -0.677) 11.242 4.222 ( 5.361 -2.612 -0.654) 5.999 4.393 ( -10.502 -3.877 2.929) 11.572 4.534 ( -4.555 3.898 -4.774) 7.664 4.737 ( -0.519 10.726 -2.517) 11.029 4.880 ( 1.539 11.111 -3.244) 11.677 5.174 ( 15.318 -4.333 3.331) 16.264 5.269 ( -3.811 -9.092 1.904) 10.041 5.302 ( 1.508 15.786 3.881) 16.326 5.648 ( 7.837 6.811 0.932) 10.425 5.861 ( 4.022 1.569 6.001) 7.392 6.022 ( 0.551 -6.853 -0.298) 6.882 6.191 ( -11.111 -3.574 0.724) 11.694 6.315 ( 11.622 -13.264 1.984) 17.746 6.791 ( 3.905 3.165 -7.006) 8.623 7.001 ( 3.428 -6.454 -0.193) 7.310 7.114 ( -1.278 4.310 -0.635) 4.540 7.429 ( -4.851 2.725 8.284) 9.979 8.015 ( -12.215 -3.322 -7.718) 14.826 8.115 ( -2.876 -7.193 -2.864) 8.259 8.699 ( 4.476 -8.388 8.427) 12.705 8.964 ( -0.422 -7.940 4.501) 9.137 9.330 ( -5.159 -2.848 1.969) 6.213 9.384 ( 9.565 6.531 -15.525) 19.369 9.536 ( -2.286 -5.470 0.420) 5.944 10.064 ( 3.017 13.084 4.641) 14.207 10.231 ( 5.141 4.535 3.568) 7.729 10.478 ( 6.658 2.697 -8.101) 10.827 10.650 ( -0.189 -1.723 -6.396) 6.627 10.894 ( -0.769 5.436 4.879) 7.344 11.224 ( 8.596 2.181 -5.658) 10.519 11.340 ( 8.067 -6.729 -6.802) 12.515 11.554 ( 1.645 -3.366 5.671) 6.796 11.864 ( -6.751 3.986 6.030) 9.890 11.997 ( 0.411 -2.571 -3.362) 4.252 12.116 ( -3.825 1.059 -2.473) 4.677 12.289 ( -4.796 -8.354 2.728) 10.011 12.581 ( -12.084 -2.546 0.191) 12.350 13.206 ( -1.144 3.179 4.461) 5.596 13.375 ( 2.972 -0.909 1.346) 3.387 13.480 ( -8.280 -8.343 1.123) 11.808 14.572 ( -5.058 6.434 -3.354) 8.844 17.423 ( 1.357 -3.310 5.282) 6.379 17.626 ( -2.987 6.380 -6.987) 9.922 17.884 ( 3.521 -4.682 -4.485) 7.379 18.070 ( 0.655 10.628 4.561) 11.584 18.533 ( 2.518 -10.148 -9.153) 13.896 19.271 ( -0.530 5.539 -1.969) 5.903 19.429 ( -17.462 1.719 1.868) 17.645 19.689 ( -3.545 0.291 5.023) 6.155 20.008 ( 2.392 1.548 8.102) 8.588 20.590 ( 10.272 -14.834 5.426) 18.841 22.102 ( 1.018 8.501 -11.152) 14.060 22.459 ( 9.141 -0.736 0.792) 9.205 22.599 ( -2.214 -1.609 3.204) 4.214 22.976 ( -1.324 2.760 -0.620) 3.123======================= Grid point 77 (60/84) =======================q-point: (-0.18 -0.32 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 126Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.990 ( 2.843 0.000 -4.107) 4.995 2.157 ( -19.291 0.000 -19.301) 27.288 2.177 ( -4.255 0.000 -18.422) 18.907 2.211 ( -0.484 0.000 -4.859) 4.883 2.481 ( 1.998 0.000 -3.670) 4.179 3.080 ( 3.367 -0.000 -1.298) 3.609 3.213 ( -4.647 0.000 -9.252) 10.354 3.381 ( 9.921 -0.000 -5.957) 11.572 3.508 ( -3.121 -0.000 10.275) 10.738 3.614 ( -8.363 0.000 -2.338) 8.683 3.696 ( -6.523 0.000 -7.686) 10.080 4.221 ( 0.511 0.000 -15.731) 15.739 4.253 ( -10.726 0.000 -11.209) 15.514 4.406 ( -10.187 0.000 8.297) 13.139 4.654 ( 6.152 -0.000 -4.483) 7.612 4.780 ( 0.813 0.000 -1.368) 1.592 5.090 ( -8.897 0.000 -15.446) 17.825 5.130 ( 2.750 0.000 -5.478) 6.130 5.328 ( -1.044 -0.000 9.980) 10.034 5.889 ( 12.919 -0.000 1.213) 12.975 5.989 ( 8.325 -0.000 2.448) 8.678 6.273 ( 0.089 -0.000 4.815) 4.815 6.338 ( -4.584 -0.000 8.551) 9.702 6.422 ( 2.343 -0.000 4.297) 4.894 6.507 ( -2.087 0.000 -3.983) 4.497 6.785 ( 2.321 0.000 -8.902) 9.199 7.564 ( -2.691 -0.000 9.779) 10.142 7.797 ( 4.475 -0.000 16.540) 17.134 7.892 ( 0.063 -0.000 0.810) 0.812 8.102 ( 0.995 -0.000 3.276) 3.424 8.846 ( 3.866 0.000 -9.110) 9.897 8.990 ( -3.055 0.000 -3.102) 4.354 9.178 ( 2.427 -0.000 16.003) 16.186 9.531 ( 1.824 -0.000 3.248) 3.725 9.532 ( -1.543 -0.000 3.130) 3.490 10.126 ( 2.326 0.000 -5.473) 5.946 10.201 ( 2.952 0.000 -3.565) 4.629 10.355 ( -3.972 0.000 -4.125) 5.727 10.507 ( 4.223 -0.000 0.800) 4.298 10.696 ( -0.023 0.000 -9.286) 9.286 11.271 ( 5.026 -0.000 -0.459) 5.047 11.281 ( 6.443 0.000 -7.089) 9.580 11.578 ( -0.019 0.000 -5.469) 5.469 11.779 ( -9.375 0.000 8.313) 12.530 11.970 ( 4.466 -0.000 1.697) 4.778 12.215 ( -4.890 0.000 -1.243) 5.045 12.293 ( -2.868 -0.000 10.779) 11.154 12.699 ( -2.535 -0.000 6.494) 6.971 13.247 ( -7.038 0.000 6.819) 9.800 13.368 ( 1.143 0.000 -5.181) 5.305 13.547 ( 0.432 -0.000 0.893) 0.992 14.515 ( 2.532 -0.000 1.265) 2.831 17.163 ( -10.079 0.000 -8.695) 13.311 17.597 ( 1.744 0.000 -5.194) 5.479 17.717 ( -3.565 0.000 -13.790) 14.243 17.990 ( 0.721 -0.000 11.986) 12.008 18.479 ( 17.581 -0.000 2.443) 17.749 19.163 ( -14.842 0.000 7.378) 16.575 19.472 ( 4.716 -0.000 0.277) 4.724 20.055 ( -4.892 -0.000 7.246) 8.743 20.319 ( 0.980 -0.000 -0.814) 1.274 20.955 ( 8.081 -0.000 9.051) 12.133 21.755 ( -2.816 0.000 -3.162) 4.234 22.360 ( 2.200 0.000 -5.479) 5.904 22.700 ( 1.817 -0.000 -1.802) 2.560 22.878 ( -3.131 0.000 -2.533) 4.028======================= Grid point 80 (61/84) =======================q-point: (-0.39 0.39 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 123Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.811 ( 6.962 -2.447 -0.000) 7.379 2.088 ( 3.234 7.510 0.000) 8.177 2.340 ( 6.926 -2.519 -0.000) 7.370 2.523 ( 15.605 0.057 -0.000) 15.605 2.720 ( -3.936 -15.637 -0.000) 16.125 2.741 ( -6.487 16.863 0.000) 18.067 3.064 ( 10.643 12.303 -0.000) 16.267 3.468 ( -2.174 -9.628 -0.000) 9.871 3.597 ( -5.468 -3.411 0.000) 6.444 4.001 ( 0.863 2.790 0.000) 2.921 4.122 ( 6.855 -4.687 -0.000) 8.304 4.309 ( -1.499 12.046 0.000) 12.139 4.500 ( 18.164 -4.388 -0.000) 18.686 4.511 ( 28.439 -15.053 -0.000) 32.177 4.631 ( -18.378 -2.833 0.000) 18.595 4.811 ( -3.027 7.737 0.000) 8.308 5.067 ( -7.676 14.328 0.000) 16.254 5.084 ( 8.880 5.347 -0.000) 10.366 5.471 ( 14.403 -3.356 -0.000) 14.789 5.573 ( -6.308 3.570 0.000) 7.248 5.789 ( 14.241 -9.590 -0.000) 17.169 5.800 ( -17.679 13.465 0.000) 22.223 6.209 ( 3.819 -5.348 -0.000) 6.572 6.381 ( -8.056 -10.976 -0.000) 13.615 6.626 ( 12.811 -6.740 -0.000) 14.476 6.973 ( -3.939 8.759 0.000) 9.604 7.315 ( -2.651 2.487 0.000) 3.634 7.410 ( -9.108 6.180 0.000) 11.006 8.258 ( -3.913 -5.591 -0.000) 6.824 8.423 ( 2.436 -16.314 -0.000) 16.495 8.493 ( -17.970 1.038 0.000) 18.000 8.962 ( -5.562 -6.026 0.000) 8.201 9.469 ( -8.312 0.088 0.000) 8.312 9.524 ( 10.231 10.365 -0.000) 14.564 9.581 ( -6.760 -4.474 0.000) 8.106 9.725 ( 4.981 -0.342 -0.000) 4.993 10.131 ( 4.763 9.772 0.000) 10.871 10.353 ( 13.179 6.796 -0.000) 14.828 10.788 ( -4.125 -0.706 0.000) 4.185 10.938 ( -3.139 1.650 0.000) 3.546 11.066 ( 19.277 -8.545 -0.000) 21.086 11.165 ( 3.990 1.488 -0.000) 4.258 11.469 ( 1.355 -5.342 -0.000) 5.511 11.931 ( -1.237 6.313 0.000) 6.433 12.095 ( 1.901 -2.397 -0.000) 3.059 12.181 ( -14.876 3.027 0.000) 15.181 12.461 ( -12.419 -6.737 0.000) 14.129 12.879 ( -14.089 -1.522 0.000) 14.171 13.039 ( 6.236 4.016 -0.000) 7.417 13.246 ( 8.205 3.613 -0.000) 8.966 13.689 ( -9.349 -14.462 -0.000) 17.221 14.749 ( -6.715 10.458 0.000) 12.429 17.315 ( 2.176 -7.747 -0.000) 8.047 17.676 ( 6.305 1.099 -0.000) 6.400 17.811 ( 8.416 -3.365 -0.000) 9.064 18.108 ( -9.079 16.259 0.000) 18.622 18.613 ( 1.529 -8.189 -0.000) 8.330 19.434 ( -4.331 25.817 0.000) 26.178 19.514 ( -5.129 0.398 0.000) 5.145 19.787 ( 9.579 1.650 -0.000) 9.720 19.928 ( -21.258 -15.585 0.000) 26.359 20.361 ( 4.836 -17.801 -0.000) 18.446 22.193 ( 4.279 8.041 0.000) 9.109 22.221 ( 10.081 3.677 -0.000) 10.731 22.614 ( -2.467 -6.930 -0.000) 7.356 22.983 ( 1.610 2.995 0.000) 3.400======================= Grid point 82 (62/84) =======================q-point: (-0.19 -0.48 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 129Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.956 ( 4.174 -0.000 -0.756) 4.242 2.221 ( 5.055 -0.000 -2.211) 5.517 2.368 ( 3.822 -0.000 -3.248) 5.016 2.571 ( -3.359 0.000 0.500) 3.396 2.894 ( -14.341 0.000 -8.599) 16.721 3.006 ( 6.421 -0.000 -0.690) 6.458 3.190 ( 2.744 -0.000 7.300) 7.799 3.333 ( -8.667 0.000 6.561) 10.870 3.349 ( 7.716 -0.000 -7.806) 10.976 3.932 ( 3.690 0.000 -7.848) 8.672 3.969 ( -11.867 0.000 -4.514) 12.696 4.370 ( -6.853 0.000 3.887) 7.879 4.412 ( -0.399 -0.000 6.093) 6.106 4.609 ( -7.886 0.000 -4.431) 9.046 4.677 ( 4.664 0.000 -8.966) 10.107 4.939 ( -6.335 0.000 -5.732) 8.544 5.022 ( 3.620 -0.000 0.942) 3.740 5.467 ( 9.708 -0.000 12.147) 15.550 5.470 ( -3.555 0.000 -10.350) 10.943 5.568 ( -1.411 0.000 -5.226) 5.413 5.801 ( 8.256 -0.000 0.901) 8.305 6.056 ( 7.581 -0.000 4.277) 8.704 6.234 ( -5.066 0.000 4.877) 7.032 6.419 ( 4.047 -0.000 12.838) 13.461 6.545 ( 0.709 0.000 -15.379) 15.395 6.848 ( -1.307 0.000 -2.660) 2.964 7.355 ( 3.472 -0.000 13.725) 14.157 7.578 ( -6.299 0.000 2.492) 6.774 7.897 ( -2.480 0.000 -2.282) 3.370 8.029 ( 0.252 -0.000 0.831) 0.868 8.840 ( 0.892 -0.000 12.459) 12.491 8.923 ( -0.394 0.000 -3.172) 3.196 9.112 ( 6.186 0.000 -9.238) 11.118 9.420 ( -3.310 -0.000 5.312) 6.259 9.504 ( -2.322 -0.000 2.497) 3.410 10.187 ( 4.024 0.000 -5.046) 6.454 10.265 ( 2.956 0.000 -7.672) 8.221 10.424 ( 0.297 -0.000 3.299) 3.313 10.471 ( 3.245 0.000 -6.150) 6.954 10.942 ( 9.342 0.000 -14.724) 17.437 11.134 ( 0.056 -0.000 7.841) 7.841 11.181 ( 6.075 -0.000 -2.513) 6.574 11.603 ( 1.215 -0.000 2.075) 2.404 11.923 ( 0.386 0.000 -1.260) 1.318 11.994 ( -10.252 0.000 -4.042) 11.020 12.106 ( -1.747 -0.000 5.497) 5.768 12.264 ( -0.290 -0.000 2.514) 2.531 12.655 ( -9.961 0.000 6.808) 12.065 13.323 ( -11.475 0.000 2.563) 11.758 13.386 ( 4.920 -0.000 -1.116) 5.045 13.456 ( 1.475 -0.000 5.386) 5.585 14.534 ( -1.577 0.000 -4.838) 5.089 17.525 ( -7.138 0.000 -7.161) 10.111 17.580 ( 2.663 -0.000 6.622) 7.137 17.759 ( 2.515 -0.000 1.546) 2.952 18.112 ( -3.226 0.000 -14.177) 14.540 18.223 ( 8.628 -0.000 -2.256) 8.919 19.300 ( -13.901 0.000 2.950) 14.210 19.378 ( 3.666 -0.000 -1.154) 3.843 20.022 ( -7.272 -0.000 7.732) 10.614 20.207 ( 1.546 -0.000 8.091) 8.237 20.578 ( 8.510 -0.000 10.311) 13.369 21.950 ( 1.836 0.000 -11.445) 11.591 22.379 ( 4.973 -0.000 -2.566) 5.596 22.683 ( -1.198 -0.000 2.773) 3.021 22.970 ( -1.092 0.000 -1.986) 2.267======================= Grid point 86 (63/84) =======================q-point: ( 0.20 -0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.340 ( -0.000 28.218 0.000) 28.218 1.540 ( -0.000 37.861 0.000) 37.861 1.902 ( -0.000 2.020 0.000) 2.020 2.011 ( -0.000 14.628 0.000) 14.628 2.325 ( -0.000 54.777 0.000) 54.777 2.791 ( -0.000 7.900 0.000) 7.900 3.076 ( -0.000 5.412 0.000) 5.412 3.231 ( 0.000 -8.164 -0.000) 8.164 3.246 ( 0.000 -4.388 -0.000) 4.388 3.584 ( -0.000 10.130 0.000) 10.130 3.695 ( 0.000 -11.124 -0.000) 11.124 3.788 ( -0.000 20.771 0.000) 20.771 4.123 ( -0.000 5.363 0.000) 5.363 4.279 ( 0.000 -3.100 -0.000) 3.100 4.441 ( -0.000 2.069 0.000) 2.069 4.753 ( -0.000 2.213 0.000) 2.213 4.891 ( -0.000 0.520 0.000) 0.520 5.178 ( -0.000 15.006 0.000) 15.006 5.568 ( 0.000 -3.259 -0.000) 3.259 5.866 ( 0.000 -3.970 -0.000) 3.970 6.137 ( -0.000 16.940 0.000) 16.940 6.209 ( 0.000 -9.119 -0.000) 9.119 6.292 ( 0.000 -11.758 -0.000) 11.758 6.524 ( 0.000 -0.178 -0.000) 0.178 6.657 ( -0.000 6.505 0.000) 6.505 7.227 ( 0.000 -10.276 -0.000) 10.276 7.519 ( 0.000 -16.829 -0.000) 16.829 7.740 ( 0.000 -15.058 -0.000) 15.058 8.253 ( 0.000 -4.437 -0.000) 4.437 8.294 ( 0.000 -12.961 -0.000) 12.961 8.930 ( -0.000 0.823 0.000) 0.823 8.963 ( -0.000 24.967 0.000) 24.967 9.335 ( 0.000 -7.779 -0.000) 7.779 9.447 ( 0.000 -2.874 -0.000) 2.874 9.589 ( 0.000 -0.803 -0.000) 0.803 9.882 ( -0.000 3.799 0.000) 3.799 10.105 ( -0.000 4.416 0.000) 4.416 10.653 ( -0.000 5.256 0.000) 5.256 10.700 ( 0.000 -3.100 -0.000) 3.100 10.790 ( 0.000 -8.366 -0.000) 8.366 11.303 ( -0.000 6.993 0.000) 6.993 11.340 ( -0.000 2.090 0.000) 2.090 11.915 ( -0.000 4.688 0.000) 4.688 11.953 ( 0.000 -12.804 -0.000) 12.804 12.116 ( 0.000 -6.324 -0.000) 6.324 12.518 ( 0.000 -10.284 -0.000) 10.284 12.616 ( 0.000 -5.756 -0.000) 5.756 12.724 ( 0.000 -2.230 -0.000) 2.230 12.768 ( 0.000 -16.705 -0.000) 16.705 13.252 ( -0.000 4.708 0.000) 4.708 13.456 ( -0.000 1.459 0.000) 1.459 14.070 ( -0.000 13.761 0.000) 13.761 17.064 ( -0.000 15.079 0.000) 15.079 17.371 ( -0.000 13.662 0.000) 13.662 17.552 ( 0.000 -2.310 -0.000) 2.310 18.351 ( 0.000 -12.197 -0.000) 12.197 18.975 ( 0.000 -7.633 -0.000) 7.633 18.989 ( -0.000 5.825 0.000) 5.825 19.599 ( -0.000 11.152 0.000) 11.152 19.738 ( 0.000 -8.509 -0.000) 8.509 19.872 ( 0.000 -20.709 -0.000) 20.709 21.268 ( 0.000 -7.628 -0.000) 7.628 22.105 ( -0.000 1.541 0.000) 1.541 22.356 ( -0.000 10.335 0.000) 10.335 22.653 ( 0.000 -0.877 -0.000) 0.877 22.675 ( -0.000 6.469 0.000) 6.469======================= Grid point 87 (64/84) =======================q-point: (-0.20 0.37 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 126Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.842 ( 5.772 -0.000 3.684) 6.847 2.151 ( 7.005 -0.000 -2.890) 7.577 2.291 ( 7.909 -0.000 0.881) 7.958 2.589 ( -3.797 0.000 2.776) 4.704 2.655 ( 14.144 -0.000 10.502) 17.617 2.906 ( 5.199 -0.000 -4.301) 6.748 3.292 ( -4.185 0.000 0.310) 4.196 3.317 ( 0.829 -0.000 6.258) 6.313 3.540 ( -13.356 0.000 -2.280) 13.549 3.884 ( 15.832 -0.000 -10.368) 18.924 4.094 ( 0.109 -0.000 3.083) 3.085 4.377 ( 2.007 0.000 -3.339) 3.896 4.392 ( 17.142 -0.000 3.872) 17.574 4.678 ( 15.368 -0.000 12.589) 19.866 4.712 ( -11.039 0.000 9.161) 14.345 4.866 ( 11.071 0.000 -11.881) 16.240 4.871 ( -3.098 0.000 -1.869) 3.618 5.189 ( -8.998 0.000 -4.324) 9.984 5.561 ( 10.993 -0.000 -0.028) 10.993 5.634 ( 17.484 -0.000 9.155) 19.736 5.896 ( -3.689 0.000 -12.527) 13.059 5.927 ( -12.934 0.000 -2.981) 13.273 5.957 ( 1.678 -0.000 16.660) 16.744 6.347 ( -9.263 0.000 3.360) 9.853 6.580 ( 13.801 -0.000 0.032) 13.801 6.982 ( -1.567 0.000 -5.697) 5.909 7.339 ( -13.031 0.000 -0.483) 13.040 7.557 ( -4.408 -0.000 5.735) 7.233 8.077 ( 2.435 0.000 -8.639) 8.976 8.150 ( -8.406 0.000 -5.578) 10.089 8.662 ( -12.819 0.000 10.709) 16.703 8.959 ( -4.401 0.000 3.664) 5.727 9.244 ( 9.559 0.000 -18.049) 20.424 9.505 ( -13.044 0.000 1.366) 13.115 9.525 ( -4.828 0.000 1.619) 5.092 10.094 ( 7.461 -0.000 16.664) 18.258 10.196 ( 4.641 -0.000 -4.073) 6.175 10.352 ( 10.510 -0.000 -6.316) 12.261 10.655 ( -2.148 0.000 -10.003) 10.231 10.827 ( 14.908 -0.000 -5.884) 16.027 11.069 ( 3.384 -0.000 4.488) 5.620 11.162 ( 2.813 -0.000 -2.094) 3.507 11.483 ( 1.763 -0.000 5.158) 5.451 11.950 ( 1.040 0.000 -2.097) 2.341 12.147 ( -14.353 0.000 -3.742) 14.833 12.152 ( 1.446 -0.000 5.193) 5.390 12.383 ( -12.257 0.000 -3.710) 12.806 12.807 ( -11.983 0.000 -0.944) 12.020 13.209 ( 4.078 -0.000 7.287) 8.350 13.321 ( 4.687 -0.000 2.348) 5.242 13.510 ( -7.961 0.000 -0.861) 8.008 14.762 ( -6.381 0.000 -7.863) 10.126 17.324 ( 3.377 -0.000 7.872) 8.566 17.658 ( 5.987 -0.000 -1.985) 6.307 17.744 ( 3.872 -0.000 -2.725) 4.734 18.260 ( -2.634 0.000 -8.332) 8.738 18.374 ( -0.013 0.000 -6.436) 6.436 19.438 ( -0.647 0.000 -6.173) 6.207 19.614 ( -12.672 0.000 -6.999) 14.476 19.948 ( 3.416 -0.000 11.028) 11.545 19.983 ( -7.591 -0.000 8.038) 11.056 20.220 ( -0.663 -0.000 14.253) 14.269 22.106 ( 8.268 0.000 -11.017) 13.775 22.297 ( 5.916 -0.000 -0.140) 5.917 22.619 ( -2.332 -0.000 6.120) 6.549 22.999 ( 1.889 -0.000 -1.221) 2.249======================= Grid point 92 (65/84) =======================q-point: (-0.21 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 75Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.577 ( 14.480 -0.000 -0.000) 14.480 1.999 ( 20.708 -0.000 -0.000) 20.708 2.079 ( 6.332 -0.000 -0.000) 6.332 2.195 ( 17.566 -0.000 -0.000) 17.566 2.576 ( 3.093 -0.000 -0.000) 3.093 3.053 ( -4.708 0.000 0.000) 4.708 3.167 ( -6.515 0.000 0.000) 6.515 3.326 ( -0.762 0.000 0.000) 0.762 3.481 ( 41.130 -0.000 -0.000) 41.130 3.809 ( 13.193 -0.000 -0.000) 13.193 3.867 ( -2.583 0.000 0.000) 2.583 4.001 ( 24.612 -0.000 -0.000) 24.612 4.005 ( 1.334 -0.000 -0.000) 1.334 4.495 ( -4.745 0.000 0.000) 4.745 4.841 ( 17.712 -0.000 -0.000) 17.712 4.945 ( 4.043 -0.000 -0.000) 4.043 5.040 ( -17.140 0.000 0.000) 17.140 5.069 ( 11.956 -0.000 -0.000) 11.956 5.336 ( 10.795 -0.000 -0.000) 10.795 5.496 ( -10.161 0.000 0.000) 10.161 5.573 ( 4.824 -0.000 -0.000) 4.824 6.207 ( -2.571 0.000 0.000) 2.571 6.234 ( -12.464 0.000 0.000) 12.464 6.372 ( 2.469 -0.000 -0.000) 2.469 6.416 ( -7.449 0.000 0.000) 7.449 6.992 ( 8.277 -0.000 -0.000) 8.277 7.603 ( -13.967 0.000 0.000) 13.967 7.635 ( -9.147 0.000 0.000) 9.147 8.097 ( 1.960 -0.000 -0.000) 1.960 8.449 ( -11.467 0.000 0.000) 11.467 8.898 ( -19.196 0.000 0.000) 19.196 8.996 ( -2.901 0.000 0.000) 2.901 9.439 ( 6.776 -0.000 -0.000) 6.776 9.584 ( 6.743 -0.000 -0.000) 6.743 9.628 ( -7.901 0.000 0.000) 7.901 9.811 ( -18.104 0.000 0.000) 18.104 10.149 ( 14.654 -0.000 -0.000) 14.654 10.170 ( 3.795 -0.000 -0.000) 3.795 10.543 ( 19.912 -0.000 -0.000) 19.912 10.891 ( -5.899 0.000 0.000) 5.899 11.018 ( -2.815 0.000 0.000) 2.815 11.073 ( 5.287 -0.000 -0.000) 5.287 11.395 ( 1.458 -0.000 -0.000) 1.458 11.989 ( -2.093 0.000 0.000) 2.093 12.041 ( 2.231 -0.000 -0.000) 2.231 12.568 ( -15.748 0.000 0.000) 15.748 12.645 ( -12.447 0.000 0.000) 12.447 12.965 ( 5.884 -0.000 -0.000) 5.884 13.116 ( -11.468 0.000 0.000) 11.468 13.182 ( 4.359 -0.000 -0.000) 4.359 13.610 ( -0.948 0.000 0.000) 0.948 15.022 ( -7.811 0.000 0.000) 7.811 17.172 ( 3.217 -0.000 -0.000) 3.217 17.431 ( 15.568 -0.000 -0.000) 15.568 17.699 ( 3.752 -0.000 -0.000) 3.752 18.419 ( 1.213 -0.000 -0.000) 1.213 18.607 ( -14.078 0.000 0.000) 14.078 19.530 ( 0.410 -0.000 -0.000) 0.410 19.557 ( 14.123 -0.000 -0.000) 14.123 19.941 ( -0.344 0.000 0.000) 0.344 20.047 ( -8.818 0.000 0.000) 8.818 20.207 ( -22.939 0.000 0.000) 22.939 22.066 ( 9.641 -0.000 -0.000) 9.641 22.191 ( 4.569 -0.000 -0.000) 4.569 22.558 ( -0.468 0.000 0.000) 0.468 22.949 ( 4.811 -0.000 -0.000) 4.811======================= Grid point 93 (66/84) =======================q-point: ( 0.38 -0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.879 ( -0.000 16.883 6.416) 18.061 1.968 ( -0.000 1.749 2.190) 2.803 2.281 ( -0.000 31.316 4.700) 31.666 2.301 ( -0.000 16.476 -1.011) 16.507 2.831 ( -0.000 2.387 -2.766) 3.653 2.880 ( 0.000 -5.585 -11.918) 13.162 3.118 ( 0.000 -14.687 2.171) 14.846 3.298 ( -0.000 15.463 -1.983) 15.590 3.366 ( -0.000 2.897 9.335) 9.774 3.600 ( -0.000 30.010 7.466) 30.925 3.738 ( -0.000 2.764 0.406) 2.794 4.113 ( 0.000 -7.339 -3.274) 8.037 4.169 ( -0.000 13.446 -13.664) 19.170 4.474 ( 0.000 -0.405 10.187) 10.195 4.519 ( -0.000 10.000 12.581) 16.071 4.675 ( -0.000 2.829 -7.712) 8.215 5.067 ( 0.000 0.990 8.028) 8.089 5.509 ( -0.000 14.974 2.958) 15.263 5.560 ( -0.000 0.533 0.813) 0.972 5.706 ( 0.000 -5.524 0.098) 5.525 5.942 ( 0.000 -11.313 -4.674) 12.241 6.105 ( 0.000 -5.846 -0.362) 5.858 6.208 ( 0.000 -5.592 -2.799) 6.253 6.603 ( -0.000 9.082 -3.786) 9.840 6.923 ( -0.000 -1.703 -10.920) 11.052 6.925 ( -0.000 6.329 2.212) 6.704 7.269 ( 0.000 -13.399 5.331) 14.421 7.430 ( 0.000 -11.288 3.618) 11.854 7.935 ( 0.000 -13.926 -5.306) 14.902 8.184 ( 0.000 -6.578 2.995) 7.228 8.918 ( 0.000 -4.935 2.278) 5.435 9.264 ( 0.000 -11.393 8.727) 14.352 9.345 ( -0.000 21.492 -10.135) 23.762 9.382 ( 0.000 -5.220 1.192) 5.354 9.560 ( 0.000 -3.107 0.474) 3.143 9.883 ( -0.000 7.860 -5.421) 9.548 10.269 ( -0.000 4.255 4.004) 5.842 10.574 ( 0.000 -3.791 -5.966) 7.068 10.644 ( 0.000 -1.365 -2.898) 3.204 10.790 ( -0.000 5.025 2.912) 5.808 11.397 ( -0.000 1.814 0.536) 1.892 11.543 ( -0.000 6.633 8.810) 11.028 11.727 ( 0.000 -10.664 0.843) 10.698 11.870 ( 0.000 -6.096 -7.336) 9.538 11.926 ( -0.000 5.613 -11.263) 12.584 12.124 ( -0.000 -2.950 -15.609) 15.886 12.302 ( 0.000 -8.287 -1.339) 8.395 12.562 ( 0.000 -9.222 7.997) 12.207 12.885 ( 0.000 -6.055 8.287) 10.263 13.390 ( 0.000 -0.302 5.880) 5.888 13.490 ( -0.000 2.117 -0.804) 2.265 14.358 ( -0.000 6.057 4.596) 7.604 17.212 ( -0.000 14.931 -11.395) 18.783 17.528 ( 0.000 -2.704 3.486) 4.412 17.848 ( -0.000 15.049 12.694) 19.688 18.061 ( 0.000 -7.177 -6.337) 9.574 18.906 ( 0.000 -11.599 6.776) 13.433 19.020 ( -0.000 -1.464 -9.141) 9.257 19.487 ( 0.000 -12.756 4.345) 13.476 19.575 ( 0.000 -0.721 -2.123) 2.242 19.915 ( -0.000 5.075 9.852) 11.083 21.112 ( 0.000 -9.564 1.852) 9.742 21.876 ( -0.000 8.359 -18.819) 20.592 22.561 ( -0.000 1.454 -0.338) 1.493 22.740 ( 0.000 0.728 7.391) 7.427 22.788 ( -0.000 4.905 -0.583) 4.939======================= Grid point 98 (67/84) =======================q-point: ( 0.37 -0.37 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 126Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.829 ( -3.931 17.008 0.000) 17.456 1.942 ( 0.331 1.444 0.000) 1.481 2.174 ( 2.341 31.512 0.000) 31.599 2.254 ( 3.765 13.935 0.000) 14.434 2.856 ( 3.692 4.308 -0.000) 5.674 3.006 ( 0.740 -16.820 -0.000) 16.837 3.224 ( -12.390 -3.690 0.000) 12.928 3.338 ( -13.274 1.024 0.000) 13.313 3.463 ( 12.682 6.489 -0.000) 14.246 3.580 ( -22.212 36.373 0.000) 42.619 3.897 ( -10.175 4.096 0.000) 10.969 4.007 ( 7.225 9.528 0.000) 11.957 4.236 ( -7.423 -7.501 0.000) 10.553 4.364 ( -0.665 19.100 0.000) 19.112 4.528 ( -2.304 5.266 0.000) 5.748 4.845 ( 4.132 0.866 -0.000) 4.222 4.922 ( -5.838 10.101 0.000) 11.667 5.411 ( 9.026 -4.084 -0.000) 9.907 5.447 ( 3.008 8.186 0.000) 8.721 5.647 ( 8.254 -5.435 -0.000) 9.882 6.018 ( 8.147 -6.497 -0.000) 10.421 6.103 ( -8.065 -7.178 0.000) 10.797 6.205 ( 3.789 -4.259 -0.000) 5.701 6.624 ( 2.230 1.669 -0.000) 2.785 6.892 ( -1.758 16.831 0.000) 16.922 6.952 ( 5.329 -6.857 -0.000) 8.685 7.193 ( 3.231 -11.118 -0.000) 11.578 7.413 ( 1.918 -12.227 -0.000) 12.376 8.070 ( -7.480 -15.058 -0.000) 16.814 8.253 ( -7.707 -10.606 -0.000) 13.110 8.861 ( 2.766 -5.604 -0.000) 6.250 9.121 ( 3.174 -10.241 -0.000) 10.722 9.351 ( 0.891 -5.503 -0.000) 5.575 9.443 ( 2.713 25.309 0.000) 25.454 9.568 ( -2.241 -4.607 -0.000) 5.123 9.934 ( 4.349 3.795 -0.000) 5.772 10.151 ( 4.294 5.626 0.000) 7.078 10.647 ( 5.796 3.329 -0.000) 6.684 10.703 ( -3.503 -0.986 0.000) 3.639 10.707 ( 0.719 1.602 0.000) 1.756 11.417 ( 1.315 4.793 0.000) 4.970 11.436 ( -1.448 3.948 0.000) 4.205 11.626 ( 18.765 3.822 -0.000) 19.150 11.732 ( -1.176 -10.814 -0.000) 10.878 12.025 ( -0.231 2.400 0.000) 2.411 12.351 ( -1.590 -11.859 -0.000) 11.965 12.396 ( 2.064 -13.695 -0.000) 13.850 12.516 ( -4.805 -8.733 -0.000) 9.967 13.051 ( -16.452 -4.828 0.000) 17.145 13.338 ( -8.315 -5.037 0.000) 9.722 13.470 ( 2.165 2.377 -0.000) 3.215 14.335 ( -3.523 10.561 0.000) 11.133 17.443 ( -2.783 10.903 0.000) 11.252 17.506 ( -2.792 3.400 0.000) 4.400 17.637 ( -0.229 11.131 0.000) 11.134 18.148 ( 0.162 -9.424 -0.000) 9.426 18.840 ( -1.540 -8.691 -0.000) 8.826 19.048 ( 7.624 14.622 0.000) 16.490 19.391 ( 1.409 -15.111 -0.000) 15.177 19.712 ( -8.675 -11.980 -0.000) 14.791 19.835 ( -3.360 5.782 0.000) 6.688 21.001 ( 8.418 -11.688 -0.000) 14.404 22.146 ( 0.666 5.299 0.000) 5.340 22.463 ( 7.113 7.762 -0.000) 10.528 22.625 ( -0.488 -2.617 -0.000) 2.662 22.839 ( -3.436 5.994 0.000) 6.909======================= Grid point 100 (68/84) =======================q-point: (-0.43 -0.23 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 124Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.035 ( -0.000 0.668 1.408) 1.559 2.180 ( -0.000 10.134 -1.952) 10.321 2.440 ( -0.000 -4.794 -18.893) 19.491 2.485 ( -0.000 3.797 -6.147) 7.225 2.641 ( 0.000 -8.238 -3.830) 9.085 2.897 ( -0.000 21.327 3.847) 21.671 3.139 ( -0.000 6.794 6.123) 9.146 3.388 ( -0.000 6.011 -4.319) 7.402 3.474 ( 0.000 -6.077 0.695) 6.117 3.672 ( 0.000 -5.933 -1.826) 6.207 3.990 ( -0.000 14.919 -13.666) 20.233 4.064 ( 0.000 1.631 6.507) 6.708 4.134 ( 0.000 -11.013 -9.123) 14.301 4.546 ( -0.000 14.226 10.163) 17.483 4.651 ( -0.000 9.070 -4.778) 10.252 4.910 ( 0.000 -4.650 0.659) 4.696 5.064 ( 0.000 -9.117 -1.193) 9.195 5.467 ( 0.000 -6.982 -3.087) 7.634 5.490 ( 0.000 -7.289 -10.830) 13.055 5.905 ( -0.000 4.231 10.198) 11.041 5.972 ( -0.000 7.470 9.437) 12.035 6.027 ( -0.000 1.843 -2.389) 3.017 6.087 ( -0.000 1.518 1.987) 2.501 6.430 ( -0.000 2.408 -16.862) 17.033 6.648 ( 0.000 -4.281 -1.170) 4.438 7.007 ( 0.000 -0.528 -1.750) 1.828 7.274 ( 0.000 -5.095 11.660) 12.725 7.568 ( 0.000 -1.789 8.361) 8.550 7.768 ( -0.000 2.011 5.303) 5.671 8.122 ( 0.000 -7.068 3.721) 7.988 8.878 ( 0.000 -2.928 2.854) 4.089 9.180 ( 0.000 -18.618 9.891) 21.083 9.259 ( -0.000 5.556 -18.962) 19.759 9.411 ( 0.000 1.353 6.106) 6.255 9.505 ( 0.000 -2.075 1.086) 2.342 10.051 ( -0.000 15.084 -3.973) 15.599 10.368 ( -0.000 1.210 -0.374) 1.267 10.376 ( 0.000 -1.827 -6.026) 6.297 10.575 ( -0.000 0.155 -2.543) 2.548 10.858 ( 0.000 -1.589 -3.158) 3.535 11.427 ( 0.000 -4.615 1.393) 4.821 11.464 ( 0.000 -3.973 -0.312) 3.985 11.648 ( -0.000 4.955 -16.947) 17.657 11.797 ( -0.000 -1.161 -5.904) 6.017 11.888 ( -0.000 4.913 5.421) 7.316 11.942 ( -0.000 2.484 7.837) 8.221 12.200 ( 0.000 -3.288 0.116) 3.290 12.589 ( 0.000 -7.345 9.201) 11.773 12.991 ( 0.000 -1.148 8.414) 8.492 13.468 ( -0.000 1.240 -2.717) 2.987 13.501 ( 0.000 -1.095 3.816) 3.970 14.492 ( -0.000 1.986 1.524) 2.503 17.200 ( -0.000 10.792 -12.540) 16.545 17.629 ( 0.000 1.149 5.615) 5.731 17.852 ( 0.000 -3.074 -1.846) 3.585 18.106 ( 0.000 -4.806 -8.831) 10.054 18.702 ( 0.000 -4.339 2.525) 5.020 18.825 ( 0.000 -9.962 6.303) 11.789 19.544 ( 0.000 -0.343 -0.585) 0.678 19.679 ( -0.000 8.830 9.192) 12.746 20.214 ( -0.000 2.743 8.849) 9.264 21.006 ( 0.000 -8.173 4.844) 9.501 21.705 ( -0.000 11.557 -13.810) 18.008 22.523 ( 0.000 -1.854 -2.607) 3.199 22.817 ( -0.000 1.828 -2.770) 3.319 22.834 ( 0.000 -1.721 2.246) 2.829======================= Grid point 106 (69/84) =======================q-point: ( 0.55 -0.39 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.985 ( 1.422 0.793 1.645) 2.314 2.150 ( 0.863 12.584 2.128) 12.792 2.464 ( 4.545 8.836 -0.619) 9.955 2.667 ( 0.238 -14.227 0.544) 14.240 2.763 ( -0.215 14.159 3.485) 14.583 2.922 ( -1.050 3.182 -2.059) 3.933 3.072 ( -7.282 0.383 -3.760) 8.204 3.364 ( 1.956 -3.215 2.027) 4.274 3.573 ( 5.050 5.289 -2.340) 7.678 3.773 ( -9.495 5.335 -8.474) 13.800 4.041 ( -8.043 -5.614 3.212) 10.321 4.201 ( -5.156 16.219 -1.037) 17.050 4.315 ( 0.212 -4.373 0.313) 4.389 4.476 ( -1.691 1.428 -2.000) 2.983 4.728 ( 0.421 17.106 -1.552) 17.181 4.843 ( -3.423 12.195 -2.285) 12.871 5.098 ( -4.734 -3.409 0.229) 5.839 5.418 ( 9.621 -4.625 -3.039) 11.099 5.525 ( 10.880 3.327 11.146) 15.927 5.759 ( 3.606 6.159 6.619) 9.734 5.845 ( -9.446 -10.742 -6.408) 15.674 6.016 ( 3.320 1.053 2.771) 4.450 6.091 ( -0.479 -1.947 -1.557) 2.538 6.555 ( 12.398 -6.859 0.140) 14.170 6.820 ( 1.377 -0.218 -5.830) 5.994 6.971 ( -2.142 -5.257 -8.729) 10.412 7.183 ( -0.988 2.895 4.622) 5.543 7.356 ( -0.842 0.317 9.954) 9.994 7.775 ( -10.297 -8.227 -0.685) 13.198 8.079 ( -1.398 -6.313 0.316) 6.474 8.793 ( 4.032 -4.605 2.993) 6.813 8.996 ( 2.878 -10.405 4.784) 11.808 9.278 ( -0.448 -4.128 4.570) 6.174 9.488 ( 0.118 -2.027 -0.575) 2.111 9.584 ( 6.991 6.222 -16.164) 18.677 10.098 ( 0.840 14.067 0.962) 14.125 10.308 ( 2.836 2.902 3.569) 5.404 10.546 ( 0.848 0.742 -9.348) 9.415 10.643 ( -0.550 -0.759 -4.063) 4.170 10.876 ( -0.678 4.912 5.086) 7.103 11.404 ( 0.646 -2.232 -6.390) 6.799 11.430 ( 10.002 -2.716 -4.489) 11.295 11.632 ( 7.354 -0.019 3.987) 8.365 11.750 ( -5.016 0.932 8.442) 9.864 12.010 ( -1.904 -0.820 -4.329) 4.800 12.054 ( 0.080 -3.783 -8.173) 9.007 12.232 ( -3.208 -5.419 3.484) 7.197 12.400 ( -5.318 -6.413 5.226) 9.834 13.009 ( -15.988 -3.050 3.712) 16.695 13.364 ( 0.784 -2.022 6.180) 6.549 13.499 ( 3.200 1.679 -1.442) 3.891 14.490 ( -3.132 4.564 -0.088) 5.536 17.448 ( 1.336 -0.580 3.558) 3.844 17.554 ( -3.911 9.555 -10.312) 14.592 17.934 ( 1.848 -3.855 -4.618) 6.293 18.092 ( 1.198 11.060 7.280) 13.295 18.602 ( 5.277 -12.118 -6.620) 14.782 19.021 ( -16.641 -12.004 0.106) 20.519 19.398 ( 5.146 9.200 2.795) 10.906 19.618 ( -3.976 1.495 4.319) 6.058 20.018 ( -0.631 2.024 8.449) 8.710 20.806 ( 10.569 -11.034 3.332) 15.638 22.068 ( -3.874 7.104 -12.712) 15.069 22.557 ( 1.182 -2.651 -1.192) 3.138 22.654 ( 7.405 2.191 3.904) 8.653 22.926 ( -3.754 2.613 -0.390) 4.591======================= Grid point 108 (70/84) =======================q-point: (-0.25 -0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.902 ( -0.000 0.000 -24.548) 24.548 2.049 ( -0.000 0.000 -1.415) 1.415 2.131 ( -0.000 0.000 -21.162) 21.162 2.219 ( -0.000 0.000 -6.566) 6.566 2.511 ( -0.000 0.000 -3.740) 3.740 3.120 ( -0.000 0.000 -3.991) 3.991 3.177 ( -0.000 0.000 -14.876) 14.876 3.440 ( 0.000 -0.000 3.576) 3.576 3.500 ( -0.000 0.000 -4.409) 4.409 3.560 ( 0.000 -0.000 6.779) 6.779 3.611 ( -0.000 0.000 -9.184) 9.184 4.129 ( -0.000 0.000 -11.624) 11.624 4.226 ( -0.000 0.000 -14.111) 14.111 4.295 ( 0.000 -0.000 8.215) 8.215 4.759 ( -0.000 0.000 -6.354) 6.354 4.790 ( -0.000 0.000 -0.191) 0.191 4.967 ( -0.000 0.000 -13.897) 13.897 5.158 ( -0.000 0.000 -10.607) 10.607 5.319 ( 0.000 -0.000 15.775) 15.775 6.098 ( 0.000 -0.000 1.728) 1.728 6.100 ( 0.000 -0.000 3.961) 3.961 6.175 ( 0.000 -0.000 3.709) 3.709 6.263 ( 0.000 -0.000 9.164) 9.164 6.461 ( 0.000 -0.000 5.647) 5.647 6.489 ( -0.000 0.000 -5.619) 5.619 6.814 ( -0.000 0.000 -11.626) 11.626 7.533 ( 0.000 -0.000 14.306) 14.306 7.840 ( 0.000 -0.000 16.268) 16.268 7.893 ( 0.000 -0.000 0.701) 0.701 8.110 ( 0.000 -0.000 3.116) 3.116 8.905 ( -0.000 0.000 -16.964) 16.964 8.943 ( 0.000 -0.000 0.933) 0.933 9.199 ( 0.000 -0.000 17.870) 17.870 9.519 ( 0.000 -0.000 1.807) 1.807 9.555 ( 0.000 -0.000 2.790) 2.790 10.148 ( -0.000 0.000 -4.974) 4.974 10.265 ( -0.000 0.000 -6.950) 6.950 10.284 ( -0.000 0.000 -1.415) 1.415 10.550 ( 0.000 -0.000 0.665) 0.665 10.682 ( -0.000 0.000 -5.907) 5.907 11.319 ( -0.000 0.000 -0.769) 0.769 11.383 ( -0.000 0.000 -12.746) 12.746 11.585 ( -0.000 0.000 -7.556) 7.556 11.652 ( 0.000 -0.000 11.083) 11.083 12.081 ( 0.000 -0.000 5.668) 5.668 12.100 ( -0.000 0.000 -3.888) 3.888 12.250 ( 0.000 -0.000 11.467) 11.467 12.684 ( 0.000 -0.000 5.885) 5.885 13.173 ( 0.000 -0.000 8.005) 8.005 13.376 ( -0.000 0.000 -5.652) 5.652 13.552 ( 0.000 -0.000 0.887) 0.887 14.544 ( 0.000 -0.000 2.102) 2.102 17.060 ( -0.000 0.000 -10.430) 10.430 17.626 ( -0.000 0.000 -3.685) 3.685 17.671 ( -0.000 0.000 -15.761) 15.761 17.996 ( 0.000 -0.000 11.742) 11.742 18.805 ( 0.000 -0.000 4.479) 4.479 18.863 ( 0.000 -0.000 7.888) 7.888 19.525 ( -0.000 0.000 -0.734) 0.734 20.000 ( 0.000 -0.000 8.981) 8.981 20.329 ( -0.000 0.000 -0.920) 0.920 21.053 ( 0.000 -0.000 7.310) 7.310 21.704 ( -0.000 0.000 -0.639) 0.639 22.382 ( -0.000 0.000 -6.079) 6.079 22.750 ( -0.000 0.000 -4.466) 4.466 22.822 ( -0.000 0.000 -0.814) 0.814======================= Grid point 111 (71/84) =======================q-point: ( 0.54 -0.54 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 126Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.914 ( 3.926 -0.408 -0.000) 3.947 2.125 ( 0.507 11.137 0.000) 11.148 2.413 ( 1.805 5.340 0.000) 5.636 2.651 ( -0.855 -17.679 -0.000) 17.700 2.674 ( 0.089 22.348 0.000) 22.348 2.771 ( 9.661 1.658 -0.000) 9.802 3.308 ( 11.032 6.630 -0.000) 12.871 3.361 ( -8.907 -9.180 0.000) 12.791 3.494 ( -3.383 -4.309 0.000) 5.478 4.043 ( 2.388 4.903 0.000) 5.453 4.164 ( -3.714 5.247 0.000) 6.428 4.187 ( -9.579 3.742 0.000) 10.284 4.374 ( -8.891 1.904 0.000) 9.092 4.635 ( -7.048 -6.156 0.000) 9.357 4.755 ( 6.855 8.383 -0.000) 10.829 4.937 ( -3.027 10.570 0.000) 10.995 5.055 ( 20.115 -1.523 -0.000) 20.173 5.262 ( 7.665 -6.145 -0.000) 9.824 5.312 ( -13.860 19.978 0.000) 24.315 5.648 ( -0.546 8.821 0.000) 8.838 5.745 ( 13.542 -0.158 -0.000) 13.543 6.004 ( 7.702 -5.997 -0.000) 9.762 6.179 ( -12.583 -12.054 0.000) 17.425 6.339 ( 10.032 -10.198 -0.000) 14.305 6.884 ( -4.138 3.868 0.000) 5.664 6.926 ( 16.010 -1.886 -0.000) 16.121 7.254 ( -6.965 8.740 0.000) 11.176 7.255 ( -3.689 -5.627 -0.000) 6.728 8.123 ( -19.862 -5.803 0.000) 20.692 8.163 ( -4.654 -7.844 -0.000) 9.121 8.580 ( 10.855 -9.743 -0.000) 14.586 8.908 ( -0.247 -6.528 -0.000) 6.533 9.296 ( -7.111 -3.790 0.000) 8.058 9.507 ( -1.969 -4.768 -0.000) 5.159 9.717 ( 9.461 13.016 0.000) 16.091 9.866 ( 7.891 2.335 -0.000) 8.229 10.208 ( 3.451 8.163 0.000) 8.863 10.588 ( 10.683 6.364 -0.000) 12.435 10.725 ( -1.984 -0.617 0.000) 2.078 10.841 ( -6.371 1.939 0.000) 6.660 11.308 ( 10.963 2.491 -0.000) 11.243 11.379 ( 10.569 -1.312 -0.000) 10.650 11.505 ( 3.791 -8.376 -0.000) 9.194 11.791 ( -12.398 7.053 0.000) 14.263 12.047 ( 0.046 -0.338 -0.000) 0.341 12.119 ( 0.407 -4.787 -0.000) 4.804 12.253 ( -8.093 -9.552 0.000) 12.520 12.603 ( -14.268 -3.067 0.000) 14.594 13.140 ( 3.056 3.137 -0.000) 4.380 13.358 ( -1.515 -2.235 -0.000) 2.701 13.473 ( -7.292 -7.366 0.000) 10.365 14.609 ( -7.337 7.029 0.000) 10.161 17.353 ( 1.797 -5.771 -0.000) 6.045 17.758 ( 3.147 4.837 0.000) 5.771 17.949 ( 5.112 -6.228 -0.000) 8.058 17.961 ( -6.119 18.916 0.000) 19.881 18.646 ( 1.903 -10.548 -0.000) 10.719 19.326 ( -15.125 -5.003 0.000) 15.932 19.367 ( -2.270 22.668 0.000) 22.781 19.645 ( -7.199 -10.893 -0.000) 13.056 19.905 ( 2.500 0.968 -0.000) 2.680 20.526 ( 12.200 -16.025 -0.000) 20.140 22.267 ( 2.112 8.681 0.000) 8.934 22.412 ( 9.746 4.136 -0.000) 10.587 22.562 ( -1.968 -6.407 -0.000) 6.702 22.983 ( -1.537 3.258 0.000) 3.602======================= Grid point 113 (72/84) =======================q-point: (-0.26 -0.40 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 129Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.021 ( 2.297 -0.000 0.467) 2.344 2.309 ( 3.831 0.000 -4.482) 5.896 2.417 ( 0.482 0.000 -4.585) 4.610 2.550 ( 1.561 -0.000 -0.789) 1.749 2.565 ( -16.354 0.000 -16.903) 23.520 3.127 ( 6.047 -0.000 -2.600) 6.582 3.194 ( -0.510 -0.000 7.108) 7.126 3.296 ( 2.137 -0.000 6.815) 7.142 3.510 ( 7.827 -0.000 -5.366) 9.490 3.716 ( -13.032 0.000 -6.499) 14.562 3.918 ( -3.985 0.000 -12.191) 12.826 4.188 ( -9.700 -0.000 10.181) 14.062 4.388 ( -2.210 0.000 -1.603) 2.730 4.503 ( -3.208 0.000 -6.050) 6.848 4.810 ( 8.187 0.000 -9.673) 12.673 4.842 ( -3.486 0.000 -3.687) 5.074 5.055 ( -0.268 -0.000 3.065) 3.076 5.363 ( -7.725 0.000 -6.752) 10.260 5.407 ( -1.542 0.000 -9.513) 9.637 5.803 ( 12.800 -0.000 8.502) 15.366 5.942 ( 6.252 -0.000 2.442) 6.712 6.144 ( 0.690 -0.000 5.794) 5.835 6.152 ( -4.296 -0.000 7.017) 8.228 6.502 ( -2.886 0.000 -13.635) 13.937 6.528 ( 5.401 -0.000 1.808) 5.696 6.878 ( 5.921 -0.000 0.661) 5.958 7.408 ( -11.453 0.000 4.363) 12.256 7.471 ( 6.209 -0.000 12.335) 13.809 7.834 ( -3.000 -0.000 5.484) 6.251 8.041 ( 0.707 -0.000 2.205) 2.316 8.878 ( 2.107 -0.000 10.254) 10.468 8.918 ( 0.229 -0.000 0.446) 0.501 9.240 ( 6.207 0.000 -17.139) 18.228 9.409 ( 1.120 -0.000 7.638) 7.719 9.484 ( -0.183 -0.000 1.583) 1.594 10.237 ( 1.421 0.000 -4.470) 4.690 10.315 ( 2.428 0.000 -6.927) 7.340 10.402 ( -2.016 0.000 -0.669) 2.125 10.542 ( 3.389 0.000 -3.694) 5.013 10.907 ( -6.530 0.000 -8.127) 10.425 11.301 ( 4.976 -0.000 -2.311) 5.486 11.304 ( 11.907 -0.000 2.678) 12.204 11.667 ( 6.051 -0.000 -2.002) 6.374 11.807 ( -8.756 0.000 -7.736) 11.684 11.932 ( 0.721 -0.000 0.515) 0.886 12.054 ( -4.468 -0.000 10.169) 11.107 12.229 ( -3.761 0.000 0.579) 3.805 12.522 ( -3.219 -0.000 9.513) 10.043 13.096 ( -10.702 0.000 6.662) 12.607 13.461 ( 2.669 0.000 -2.784) 3.856 13.478 ( 0.693 -0.000 4.675) 4.727 14.515 ( -0.392 0.000 -0.866) 0.950 17.391 ( -5.932 0.000 -12.303) 13.659 17.624 ( 1.734 -0.000 6.881) 7.096 17.801 ( 1.848 -0.000 -0.101) 1.850 18.051 ( -2.841 0.000 -15.422) 15.681 18.423 ( 12.408 -0.000 2.817) 12.724 19.005 ( -16.310 0.000 6.890) 17.705 19.469 ( 5.394 -0.000 0.045) 5.394 19.877 ( -7.322 -0.000 8.971) 11.580 20.232 ( 1.029 -0.000 8.146) 8.211 20.786 ( 11.111 -0.000 6.411) 12.828 21.906 ( -5.402 0.000 -10.222) 11.562 22.462 ( 3.390 0.000 -3.827) 5.112 22.717 ( 4.523 -0.000 0.452) 4.546 22.922 ( -3.936 0.000 -1.662) 4.273======================= Grid point 118 (73/84) =======================q-point: (-0.27 0.44 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 126Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.937 ( 4.069 -0.000 1.921) 4.499 2.282 ( 6.679 -0.000 -3.180) 7.397 2.405 ( 3.670 -0.000 -0.004) 3.670 2.500 ( -2.999 -0.000 4.277) 5.224 2.853 ( 5.851 -0.000 6.583) 8.808 3.028 ( 6.999 -0.000 -0.956) 7.064 3.203 ( -6.985 0.000 4.655) 8.393 3.281 ( -10.031 0.000 -10.012) 14.172 3.422 ( 8.635 -0.000 0.620) 8.657 4.056 ( -4.817 0.000 -3.322) 5.852 4.128 ( 8.430 0.000 -9.915) 13.014 4.243 ( -16.138 0.000 5.932) 17.194 4.387 ( 0.270 0.000 -3.181) 3.193 4.591 ( -8.551 0.000 4.452) 9.641 4.950 ( 4.547 0.000 -11.541) 12.404 4.951 ( 10.853 -0.000 5.466) 12.152 5.024 ( -7.017 0.000 -2.792) 7.552 5.167 ( 19.964 -0.000 9.988) 22.323 5.664 ( -10.695 0.000 -2.592) 11.005 5.729 ( -8.463 0.000 -10.270) 13.308 5.762 ( 6.346 -0.000 1.010) 6.426 5.920 ( 9.603 -0.000 7.461) 12.161 6.101 ( 8.383 -0.000 13.651) 16.019 6.211 ( -0.729 0.000 -0.996) 1.234 6.865 ( 11.172 -0.000 -8.949) 14.314 6.902 ( -5.480 0.000 -2.762) 6.137 7.159 ( -2.752 0.000 2.449) 3.684 7.457 ( -6.049 -0.000 7.943) 9.984 7.987 ( -13.349 0.000 -5.355) 14.383 8.043 ( -3.025 0.000 -2.212) 3.747 8.597 ( 5.978 -0.000 9.463) 11.193 8.894 ( -1.901 -0.000 3.449) 3.938 9.301 ( -6.147 0.000 3.218) 6.938 9.456 ( 10.206 0.000 -17.795) 20.514 9.468 ( -1.380 0.000 0.996) 1.702 10.216 ( 5.249 -0.000 12.671) 13.715 10.273 ( 3.083 -0.000 -2.760) 4.138 10.509 ( 5.477 0.000 -10.470) 11.816 10.628 ( -0.456 0.000 -6.942) 6.957 10.959 ( 0.533 -0.000 6.763) 6.784 11.235 ( 11.009 -0.000 -10.349) 15.109 11.256 ( 6.814 -0.000 -4.203) 8.006 11.517 ( 2.603 -0.000 5.287) 5.893 11.904 ( -10.182 0.000 4.812) 11.262 11.974 ( 1.101 0.000 -3.204) 3.388 12.160 ( -9.994 0.000 -1.423) 10.094 12.177 ( 1.054 -0.000 4.974) 5.085 12.555 ( -13.656 0.000 1.038) 13.695 13.284 ( 3.776 -0.000 7.132) 8.070 13.289 ( -14.897 0.000 0.707) 14.913 13.428 ( 5.624 -0.000 -0.564) 5.652 14.636 ( -6.405 0.000 -3.787) 7.440 17.383 ( 2.739 -0.000 7.923) 8.383 17.707 ( -0.269 0.000 -8.911) 8.915 17.819 ( 3.898 -0.000 -3.617) 5.318 18.253 ( 2.017 -0.000 -0.029) 2.017 18.366 ( -0.812 0.000 -8.639) 8.677 19.262 ( -20.758 0.000 0.597) 20.766 19.439 ( 0.883 0.000 -4.737) 4.819 19.831 ( -8.095 -0.000 9.476) 12.463 19.999 ( 1.826 -0.000 9.426) 9.601 20.394 ( 14.964 -0.000 6.357) 16.259 22.208 ( 1.046 0.000 -11.782) 11.828 22.418 ( 6.347 -0.000 -1.094) 6.441 22.595 ( 1.206 -0.000 5.529) 5.659 23.003 ( -1.361 0.000 -1.043) 1.715======================= Grid point 123 (74/84) =======================q-point: (-0.29 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.787 ( 8.329 -0.000 -0.000) 8.329 2.202 ( 6.518 -0.000 -0.000) 6.518 2.278 ( 9.847 -0.000 -0.000) 9.847 2.526 ( 15.883 -0.000 -0.000) 15.883 2.552 ( -5.784 0.000 0.000) 5.784 2.991 ( -0.802 0.000 0.000) 0.802 3.191 ( 8.532 -0.000 -0.000) 8.532 3.275 ( -4.745 0.000 0.000) 4.745 3.594 ( -9.843 0.000 0.000) 9.843 4.041 ( 2.484 -0.000 -0.000) 2.484 4.074 ( 13.236 -0.000 -0.000) 13.236 4.321 ( 30.637 -0.000 -0.000) 30.637 4.432 ( 4.613 -0.000 -0.000) 4.613 4.478 ( 17.866 -0.000 -0.000) 17.866 4.593 ( -23.232 0.000 0.000) 23.232 4.901 ( -4.558 0.000 0.000) 4.558 5.092 ( 4.642 -0.000 -0.000) 4.642 5.250 ( -10.941 0.000 0.000) 10.941 5.464 ( 22.539 -0.000 -0.000) 22.539 5.607 ( 13.562 -0.000 -0.000) 13.562 5.662 ( 4.380 -0.000 -0.000) 4.380 5.970 ( -14.928 0.000 0.000) 14.928 6.178 ( -0.113 0.000 0.000) 0.113 6.206 ( -13.920 0.000 0.000) 13.920 6.553 ( 16.096 -0.000 -0.000) 16.096 7.068 ( -1.599 0.000 0.000) 1.599 7.357 ( -11.389 0.000 0.000) 11.389 7.470 ( -7.878 0.000 0.000) 7.878 8.214 ( 10.924 -0.000 -0.000) 10.924 8.229 ( -10.240 0.000 0.000) 10.240 8.501 ( -22.145 0.000 0.000) 22.145 8.906 ( -4.962 0.000 0.000) 4.962 9.486 ( -14.878 0.000 0.000) 14.878 9.508 ( -4.432 0.000 0.000) 4.432 9.624 ( 11.257 -0.000 -0.000) 11.257 9.735 ( 8.164 -0.000 -0.000) 8.164 10.243 ( 3.657 -0.000 -0.000) 3.657 10.425 ( 13.819 -0.000 -0.000) 13.819 10.787 ( -4.841 0.000 0.000) 4.841 10.955 ( -3.941 0.000 0.000) 3.941 10.956 ( 22.388 -0.000 -0.000) 22.388 11.178 ( 6.144 -0.000 -0.000) 6.144 11.418 ( 0.838 -0.000 -0.000) 0.838 11.989 ( 1.735 -0.000 -0.000) 1.735 12.075 ( 1.255 -0.000 -0.000) 1.255 12.218 ( -19.378 0.000 0.000) 19.378 12.390 ( -13.948 0.000 0.000) 13.948 12.864 ( -14.666 0.000 0.000) 14.666 13.081 ( 6.094 -0.000 -0.000) 6.094 13.302 ( 7.186 -0.000 -0.000) 7.186 13.521 ( -8.545 0.000 0.000) 8.545 14.854 ( -9.426 0.000 0.000) 9.426 17.235 ( 3.283 -0.000 -0.000) 3.283 17.685 ( 10.609 -0.000 -0.000) 10.609 17.778 ( 4.400 -0.000 -0.000) 4.400 18.374 ( -9.919 0.000 0.000) 9.919 18.442 ( 1.160 -0.000 -0.000) 1.160 19.538 ( 0.385 -0.000 -0.000) 0.385 19.739 ( -25.513 0.000 0.000) 25.513 19.800 ( 8.141 -0.000 -0.000) 8.141 19.864 ( -10.181 0.000 0.000) 10.181 20.013 ( 10.834 -0.000 -0.000) 10.834 22.259 ( 10.326 -0.000 -0.000) 10.326 22.298 ( 6.534 -0.000 -0.000) 6.534 22.522 ( -3.525 0.000 0.000) 3.525 23.012 ( 1.756 -0.000 -0.000) 1.756======================= Grid point 130 (75/84) =======================q-point: ( 0.30 -0.30 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.787 ( -0.000 18.690 0.000) 18.690 1.941 ( -0.000 2.121 0.000) 2.121 2.225 ( -0.000 32.527 0.000) 32.527 2.311 ( -0.000 14.649 0.000) 14.649 2.895 ( -0.000 6.341 0.000) 6.341 3.019 ( 0.000 -17.192 -0.000) 17.192 3.090 ( 0.000 -5.760 -0.000) 5.760 3.182 ( -0.000 5.399 0.000) 5.399 3.322 ( -0.000 44.305 0.000) 44.305 3.653 ( -0.000 6.595 0.000) 6.595 3.734 ( -0.000 4.246 0.000) 4.246 4.098 ( -0.000 8.123 0.000) 8.123 4.151 ( 0.000 -9.967 -0.000) 9.967 4.374 ( -0.000 22.709 0.000) 22.709 4.504 ( -0.000 2.424 0.000) 2.424 4.852 ( -0.000 7.466 0.000) 7.466 4.886 ( 0.000 -0.763 -0.000) 0.763 5.471 ( -0.000 14.794 0.000) 14.794 5.499 ( 0.000 -2.778 -0.000) 2.778 5.753 ( 0.000 -7.893 -0.000) 7.893 6.009 ( 0.000 -11.243 -0.000) 11.243 6.103 ( 0.000 -6.792 -0.000) 6.792 6.239 ( 0.000 -4.079 -0.000) 4.079 6.635 ( -0.000 10.271 0.000) 10.271 6.895 ( -0.000 16.797 0.000) 16.797 7.005 ( 0.000 -12.398 -0.000) 12.398 7.206 ( 0.000 -15.324 -0.000) 15.324 7.450 ( 0.000 -14.559 -0.000) 14.559 7.999 ( 0.000 -17.141 -0.000) 17.141 8.152 ( 0.000 -5.821 -0.000) 5.821 8.890 ( 0.000 -3.764 -0.000) 3.764 9.157 ( 0.000 -10.326 -0.000) 10.326 9.370 ( 0.000 -5.970 -0.000) 5.970 9.468 ( -0.000 26.516 0.000) 26.516 9.543 ( 0.000 -3.363 -0.000) 3.363 9.975 ( -0.000 5.074 0.000) 5.074 10.196 ( -0.000 4.825 0.000) 4.825 10.664 ( 0.000 -0.670 -0.000) 0.670 10.669 ( 0.000 -3.423 -0.000) 3.423 10.756 ( -0.000 5.142 0.000) 5.142 11.395 ( -0.000 3.560 0.000) 3.560 11.431 ( -0.000 6.054 0.000) 6.054 11.708 ( 0.000 -12.107 -0.000) 12.107 11.980 ( 0.000 -7.482 -0.000) 7.482 12.004 ( -0.000 4.330 0.000) 4.330 12.308 ( 0.000 -10.765 -0.000) 10.765 12.451 ( 0.000 -11.062 -0.000) 11.062 12.467 ( 0.000 -14.354 -0.000) 14.354 12.703 ( 0.000 -0.105 -0.000) 0.105 13.304 ( -0.000 0.903 0.000) 0.903 13.501 ( -0.000 2.923 0.000) 2.923 14.299 ( -0.000 9.882 0.000) 9.882 17.410 ( -0.000 20.703 0.000) 20.703 17.485 ( 0.000 -4.563 -0.000) 4.563 17.633 ( -0.000 12.558 0.000) 12.558 18.144 ( 0.000 -9.008 -0.000) 9.008 18.820 ( 0.000 -7.464 -0.000) 7.464 19.141 ( -0.000 9.929 0.000) 9.929 19.422 ( 0.000 -25.543 -0.000) 25.543 19.617 ( 0.000 -4.241 -0.000) 4.241 19.786 ( -0.000 8.052 0.000) 8.052 21.091 ( 0.000 -10.457 -0.000) 10.457 22.142 ( -0.000 2.221 0.000) 2.221 22.543 ( -0.000 8.582 0.000) 8.582 22.630 ( 0.000 -1.481 -0.000) 1.481 22.794 ( -0.000 5.595 0.000) 5.595======================= Grid point 138 (76/84) =======================q-point: ( 0.48 -0.32 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.996 ( -0.000 1.130 1.708) 2.048 2.157 ( -0.000 12.857 4.063) 13.484 2.527 ( -0.000 6.217 0.877) 6.279 2.678 ( 0.000 -14.317 -0.939) 14.347 2.731 ( -0.000 3.492 -2.767) 4.455 2.888 ( -0.000 18.325 -8.623) 20.253 3.030 ( -0.000 2.142 3.982) 4.521 3.395 ( 0.000 -1.203 6.243) 6.358 3.569 ( -0.000 15.137 -13.339) 20.176 3.718 ( 0.000 -3.363 -1.951) 3.888 3.953 ( 0.000 -8.506 3.493) 9.195 4.142 ( -0.000 19.834 0.281) 19.836 4.313 ( 0.000 -4.372 -1.350) 4.576 4.456 ( -0.000 5.535 -0.821) 5.596 4.773 ( -0.000 15.956 3.078) 16.250 4.777 ( -0.000 6.453 -6.382) 9.076 5.056 ( 0.000 -1.212 2.032) 2.366 5.537 ( 0.000 -8.471 -2.467) 8.823 5.645 ( 0.000 2.217 11.749) 11.956 5.703 ( 0.000 -3.706 -7.873) 8.702 5.790 ( -0.000 4.116 6.321) 7.543 6.057 ( 0.000 0.110 1.065) 1.070 6.090 ( 0.000 -4.817 -2.950) 5.649 6.689 ( 0.000 -2.953 -3.584) 4.644 6.853 ( -0.000 2.499 -12.835) 13.076 7.020 ( -0.000 -0.643 -3.921) 3.973 7.050 ( 0.000 -8.729 8.283) 12.033 7.364 ( 0.000 3.007 10.594) 11.013 7.680 ( 0.000 -11.069 1.672) 11.195 8.064 ( 0.000 -5.239 1.751) 5.523 8.833 ( 0.000 -3.131 1.088) 3.314 9.031 ( 0.000 -11.252 4.938) 12.288 9.280 ( 0.000 -4.772 4.909) 6.846 9.486 ( 0.000 -2.080 0.301) 2.101 9.661 ( -0.000 8.268 -17.042) 18.941 10.105 ( -0.000 14.153 -0.393) 14.158 10.336 ( -0.000 2.122 3.109) 3.764 10.542 ( -0.000 0.023 -8.101) 8.101 10.640 ( -0.000 0.346 -2.671) 2.694 10.869 ( -0.000 3.130 1.464) 3.456 11.405 ( 0.000 -0.869 -2.048) 2.225 11.539 ( 0.000 -8.782 -1.720) 8.949 11.651 ( -0.000 4.213 9.610) 10.492 11.807 ( 0.000 0.043 0.557) 0.558 11.975 ( -0.000 -0.677 -7.453) 7.484 12.047 ( -0.000 -3.510 -13.277) 13.733 12.181 ( 0.000 -3.623 1.820) 4.055 12.368 ( 0.000 -9.819 10.309) 14.237 12.814 ( 0.000 -1.742 7.594) 7.791 13.376 ( 0.000 -0.808 5.536) 5.595 13.531 ( -0.000 1.746 -1.808) 2.514 14.460 ( -0.000 3.960 1.300) 4.168 17.471 ( 0.000 -2.823 6.570) 7.151 17.504 ( -0.000 13.886 -15.201) 20.588 17.952 ( 0.000 -3.925 -4.904) 6.281 18.105 ( -0.000 12.300 8.477) 14.938 18.733 ( 0.000 -5.986 2.236) 6.390 18.776 ( 0.000 -20.034 -8.414) 21.729 19.477 ( -0.000 7.149 9.145) 11.608 19.556 ( 0.000 -0.851 -0.553) 1.015 20.008 ( -0.000 3.777 8.628) 9.418 20.921 ( 0.000 -9.199 2.832) 9.625 22.016 ( -0.000 5.660 -13.206) 14.367 22.570 ( -0.000 -0.298 -1.808) 1.832 22.755 ( 0.000 0.739 4.813) 4.869 22.864 ( -0.000 2.816 -1.488) 3.185======================= Grid point 143 (77/84) =======================q-point: ( 0.47 -0.47 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 123Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.964 ( 1.422 0.828 -0.000) 1.645 2.107 ( -1.837 12.565 0.000) 12.699 2.462 ( 3.665 6.448 0.000) 7.416 2.673 ( 1.924 -15.697 -0.000) 15.814 2.707 ( 2.008 21.415 0.000) 21.509 2.910 ( 5.454 2.781 -0.000) 6.122 3.174 ( -8.881 -0.894 0.000) 8.926 3.329 ( -4.591 -0.189 0.000) 4.595 3.601 ( 10.292 3.273 -0.000) 10.800 3.977 ( -6.031 -6.797 0.000) 9.087 4.015 ( -9.544 10.706 0.000) 14.343 4.095 ( -5.825 2.610 0.000) 6.383 4.236 ( -2.447 17.921 0.000) 18.087 4.520 ( -4.837 -7.108 -0.000) 8.598 4.805 ( 1.152 21.300 0.000) 21.331 4.890 ( -1.431 3.252 0.000) 3.553 5.083 ( -7.045 6.363 0.000) 9.493 5.374 ( 11.923 0.450 -0.000) 11.932 5.463 ( 8.706 -3.497 -0.000) 9.382 5.679 ( 2.847 6.220 0.000) 6.841 5.938 ( -11.485 -10.178 0.000) 15.346 5.962 ( 8.345 0.690 -0.000) 8.373 6.101 ( 3.055 -5.318 -0.000) 6.133 6.584 ( 15.229 -6.053 -0.000) 16.388 6.816 ( -3.123 -5.553 -0.000) 6.371 7.095 ( -3.441 4.011 0.000) 5.285 7.186 ( 2.499 9.015 0.000) 9.355 7.207 ( -0.826 -8.653 -0.000) 8.692 7.788 ( -13.303 -12.741 0.000) 18.420 8.084 ( -3.559 -6.589 -0.000) 7.489 8.759 ( 6.822 -4.287 -0.000) 8.057 8.936 ( 2.443 -8.009 -0.000) 8.373 9.226 ( -0.766 -6.288 -0.000) 6.335 9.486 ( -0.469 -3.325 -0.000) 3.358 9.865 ( 5.653 16.483 0.000) 17.425 9.998 ( 5.542 2.583 -0.000) 6.115 10.263 ( 2.233 5.774 0.000) 6.191 10.673 ( -0.406 0.736 0.000) 0.841 10.717 ( -5.909 1.574 0.000) 6.115 10.782 ( 6.116 4.333 -0.000) 7.495 11.463 ( 2.045 -1.210 -0.000) 2.376 11.518 ( 1.166 4.284 0.000) 4.440 11.572 ( -0.319 -4.058 -0.000) 4.071 11.648 ( 7.599 -1.021 -0.000) 7.667 12.066 ( 0.998 1.653 0.000) 1.930 12.125 ( 1.359 -10.363 -0.000) 10.452 12.180 ( -0.484 -8.223 -0.000) 8.237 12.364 ( -10.014 -6.285 0.000) 11.823 12.967 ( -19.522 -3.138 0.000) 19.773 13.285 ( 1.461 -1.431 -0.000) 2.045 13.514 ( 3.614 1.875 -0.000) 4.071 14.491 ( -4.676 5.532 0.000) 7.243 17.382 ( 1.169 -4.474 -0.000) 4.624 17.805 ( 1.805 6.373 0.000) 6.624 17.875 ( -2.949 22.342 0.000) 22.536 18.004 ( 1.100 -5.647 -0.000) 5.753 18.684 ( 2.079 -8.966 -0.000) 9.204 19.041 ( -12.357 -17.867 -0.000) 21.724 19.346 ( -0.170 14.922 0.000) 14.923 19.577 ( -1.565 -3.358 -0.000) 3.705 19.913 ( -0.688 2.106 0.000) 2.216 20.769 ( 11.352 -11.217 -0.000) 15.959 22.238 ( -4.157 3.990 0.000) 5.762 22.571 ( 2.262 -2.665 -0.000) 3.496 22.583 ( 7.798 4.442 -0.000) 8.975 22.931 ( -3.603 3.341 0.000) 4.914======================= Grid point 145 (78/84) =======================q-point: (-0.33 -0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.041 ( 0.000 -0.000 1.178) 1.178 2.349 ( -0.000 0.000 -5.393) 5.393 2.390 ( -0.000 0.000 -19.623) 19.623 2.413 ( -0.000 0.000 -4.936) 4.936 2.578 ( -0.000 0.000 -1.219) 1.219 3.196 ( 0.000 -0.000 7.497) 7.497 3.197 ( -0.000 0.000 -2.963) 2.963 3.336 ( 0.000 -0.000 5.225) 5.225 3.562 ( -0.000 0.000 -6.875) 6.875 3.596 ( -0.000 0.000 -4.278) 4.278 3.859 ( -0.000 0.000 -13.183) 13.183 4.082 ( 0.000 -0.000 10.713) 10.713 4.356 ( -0.000 0.000 -8.154) 8.154 4.474 ( -0.000 0.000 -6.367) 6.367 4.810 ( -0.000 0.000 -1.626) 1.626 4.917 ( -0.000 0.000 -7.248) 7.248 5.044 ( 0.000 -0.000 6.957) 6.957 5.265 ( -0.000 0.000 -9.219) 9.219 5.400 ( -0.000 0.000 -11.318) 11.318 5.962 ( 0.000 -0.000 11.117) 11.117 6.053 ( 0.000 -0.000 9.783) 9.783 6.058 ( 0.000 -0.000 1.480) 1.480 6.108 ( 0.000 -0.000 2.501) 2.501 6.478 ( -0.000 0.000 -11.475) 11.475 6.576 ( -0.000 0.000 -3.040) 3.040 7.016 ( -0.000 0.000 -6.083) 6.083 7.223 ( 0.000 -0.000 13.836) 13.836 7.536 ( 0.000 -0.000 10.975) 10.975 7.805 ( 0.000 -0.000 8.517) 8.517 8.049 ( 0.000 -0.000 2.436) 2.436 8.899 ( 0.000 -0.000 8.668) 8.668 8.924 ( 0.000 -0.000 0.776) 0.776 9.308 ( -0.000 0.000 -19.777) 19.777 9.425 ( 0.000 -0.000 8.770) 8.770 9.484 ( 0.000 -0.000 1.342) 1.342 10.249 ( -0.000 0.000 -4.114) 4.114 10.356 ( -0.000 0.000 -1.289) 1.289 10.364 ( -0.000 0.000 -6.687) 6.687 10.577 ( -0.000 0.000 -2.803) 2.803 10.830 ( -0.000 0.000 -6.577) 6.577 11.345 ( -0.000 0.000 -1.717) 1.717 11.453 ( 0.000 -0.000 6.206) 6.206 11.696 ( -0.000 0.000 -13.815) 13.815 11.761 ( -0.000 0.000 -8.861) 8.861 11.950 ( 0.000 -0.000 6.215) 6.215 11.992 ( 0.000 -0.000 11.524) 11.524 12.160 ( -0.000 0.000 -1.353) 1.353 12.502 ( 0.000 -0.000 10.592) 10.592 12.982 ( 0.000 -0.000 9.193) 9.193 13.479 ( -0.000 0.000 -1.285) 1.285 13.490 ( 0.000 -0.000 2.049) 2.049 14.513 ( 0.000 -0.000 0.887) 0.887 17.330 ( -0.000 0.000 -14.271) 14.271 17.641 ( 0.000 -0.000 7.389) 7.389 17.821 ( -0.000 0.000 -0.942) 0.942 18.020 ( -0.000 0.000 -16.050) 16.050 18.666 ( 0.000 -0.000 8.515) 8.515 18.724 ( 0.000 -0.000 4.448) 4.448 19.539 ( -0.000 0.000 -0.523) 0.523 19.788 ( 0.000 -0.000 10.404) 10.404 20.243 ( 0.000 -0.000 8.062) 8.062 20.912 ( 0.000 -0.000 5.574) 5.574 21.832 ( -0.000 0.000 -10.213) 10.213 22.496 ( -0.000 0.000 -4.283) 4.283 22.814 ( 0.000 -0.000 1.489) 1.489 22.836 ( -0.000 0.000 -3.344) 3.344======================= Grid point 150 (79/84) =======================q-point: (-0.35 0.51 -0.65)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 126Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.992 ( 1.736 -0.000 1.600) 2.361 2.388 ( -2.462 -0.000 6.617) 7.060 2.396 ( 4.802 -0.000 -3.253) 5.801 2.539 ( 3.811 -0.000 -0.210) 3.817 2.827 ( -8.196 0.000 -5.564) 9.906 3.061 ( -1.992 -0.000 4.045) 4.509 3.168 ( 6.926 -0.000 -0.980) 6.995 3.240 ( 1.473 0.000 -3.050) 3.387 3.590 ( 7.826 -0.000 -2.122) 8.109 3.896 ( -10.022 0.000 -9.913) 14.096 3.974 ( -11.315 0.000 8.556) 14.185 4.179 ( -2.017 0.000 -10.783) 10.969 4.415 ( 2.482 -0.000 -1.777) 3.052 4.480 ( -2.810 -0.000 7.890) 8.375 4.901 ( -4.700 0.000 -2.002) 5.108 5.007 ( 2.688 0.000 -7.122) 7.612 5.070 ( 0.162 0.000 -1.660) 1.668 5.398 ( -1.067 0.000 1.087) 1.523 5.585 ( 6.438 -0.000 8.704) 10.826 5.609 ( -1.537 0.000 -8.578) 8.715 5.848 ( 2.450 -0.000 4.970) 5.541 6.041 ( 3.254 -0.000 3.758) 4.971 6.083 ( -2.982 0.000 1.433) 3.309 6.468 ( 17.198 -0.000 1.256) 17.244 6.824 ( -0.749 -0.000 3.214) 3.300 6.895 ( -2.655 0.000 -17.788) 17.985 7.281 ( 9.002 -0.000 5.489) 10.544 7.308 ( -11.008 0.000 6.140) 12.605 7.701 ( -12.810 0.000 4.732) 13.656 8.014 ( -0.614 0.000 0.268) 0.670 8.743 ( 6.647 -0.000 3.010) 7.297 8.888 ( 0.928 -0.000 2.166) 2.356 9.234 ( -1.114 -0.000 6.752) 6.843 9.460 ( 0.175 -0.000 0.693) 0.714 9.643 ( 8.354 0.000 -18.797) 20.570 10.289 ( 2.370 -0.000 8.157) 8.494 10.310 ( 0.990 0.000 -2.265) 2.472 10.557 ( 0.020 0.000 -10.981) 10.981 10.635 ( 0.800 0.000 -3.969) 4.049 10.932 ( -2.340 -0.000 4.511) 5.081 11.367 ( 3.161 0.000 -3.570) 4.768 11.386 ( 4.952 0.000 -9.642) 10.840 11.641 ( 11.314 -0.000 3.573) 11.865 11.757 ( -5.858 -0.000 9.431) 11.103 11.984 ( -0.303 0.000 -4.622) 4.632 12.037 ( -3.156 0.000 -2.993) 4.349 12.182 ( -0.919 -0.000 3.548) 3.665 12.331 ( -8.517 0.000 5.967) 10.399 12.979 ( -15.779 0.000 3.855) 16.243 13.345 ( 2.308 -0.000 5.874) 6.311 13.516 ( 3.357 -0.000 -1.606) 3.722 14.536 ( -3.755 0.000 -0.782) 3.835 17.425 ( 1.547 -0.000 7.908) 8.058 17.679 ( -1.906 0.000 -13.568) 13.702 17.885 ( 2.771 0.000 -4.252) 5.075 18.335 ( 6.356 -0.000 5.996) 8.738 18.346 ( -1.093 0.000 -10.968) 11.022 18.890 ( -17.248 0.000 3.200) 17.542 19.476 ( 3.077 -0.000 -1.018) 3.241 19.683 ( -7.262 -0.000 8.505) 11.183 20.031 ( 1.420 -0.000 8.707) 8.822 20.680 ( 13.055 -0.000 3.367) 13.482 22.145 ( -5.756 0.000 -10.502) 11.976 22.522 ( 4.169 -0.000 -1.745) 4.519 22.677 ( 6.140 -0.000 3.039) 6.851 22.951 ( -3.818 0.000 -1.039) 3.956======================= Grid point 156 (80/84) =======================q-point: (-0.36 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 75Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.910 ( 4.752 -0.000 -0.000) 4.752 2.325 ( 6.287 -0.000 -0.000) 6.287 2.382 ( -3.192 0.000 0.000) 3.192 2.459 ( 2.389 -0.000 -0.000) 2.389 2.771 ( 9.418 -0.000 -0.000) 9.418 3.039 ( 5.664 -0.000 -0.000) 5.664 3.147 ( -8.248 0.000 0.000) 8.248 3.404 ( 12.033 -0.000 -0.000) 12.033 3.424 ( -7.169 0.000 0.000) 7.169 4.091 ( 1.528 -0.000 -0.000) 1.528 4.171 ( -19.341 0.000 0.000) 19.341 4.267 ( 6.313 -0.000 -0.000) 6.313 4.440 ( 0.299 -0.000 -0.000) 0.299 4.504 ( -10.481 0.000 0.000) 10.481 4.864 ( 17.075 -0.000 -0.000) 17.075 5.048 ( 20.396 -0.000 -0.000) 20.396 5.060 ( -8.655 0.000 0.000) 8.655 5.120 ( -1.436 0.000 0.000) 1.436 5.693 ( -13.207 0.000 0.000) 13.207 5.735 ( 2.995 -0.000 -0.000) 2.995 5.813 ( 13.719 -0.000 -0.000) 13.719 5.874 ( 12.970 -0.000 -0.000) 12.970 5.926 ( -13.753 0.000 0.000) 13.753 6.230 ( 7.053 -0.000 -0.000) 7.053 6.915 ( 19.432 -0.000 -0.000) 19.432 6.948 ( -9.450 0.000 0.000) 9.450 7.186 ( -6.293 0.000 0.000) 6.293 7.339 ( -6.012 0.000 0.000) 6.012 8.065 ( -23.187 0.000 0.000) 23.187 8.084 ( -5.118 0.000 0.000) 5.118 8.477 ( 14.773 -0.000 -0.000) 14.773 8.842 ( -1.298 0.000 0.000) 1.298 9.258 ( -8.657 0.000 0.000) 8.657 9.458 ( -1.127 0.000 0.000) 1.127 9.841 ( 11.017 -0.000 -0.000) 11.017 9.890 ( 7.897 -0.000 -0.000) 7.897 10.303 ( 2.494 -0.000 -0.000) 2.494 10.664 ( 11.047 -0.000 -0.000) 11.047 10.714 ( -2.736 0.000 0.000) 2.736 10.861 ( -6.020 0.000 0.000) 6.020 11.331 ( 10.539 -0.000 -0.000) 10.539 11.347 ( 17.220 -0.000 -0.000) 17.220 11.426 ( 0.061 -0.000 -0.000) 0.061 11.868 ( -16.544 0.000 0.000) 16.544 12.037 ( 2.817 -0.000 -0.000) 2.817 12.091 ( 0.525 -0.000 -0.000) 0.525 12.137 ( -11.524 0.000 0.000) 11.524 12.572 ( -15.426 0.000 0.000) 15.426 13.191 ( 5.187 -0.000 -0.000) 5.187 13.283 ( -16.172 0.000 0.000) 16.172 13.434 ( 6.343 -0.000 -0.000) 6.343 14.678 ( -8.575 0.000 0.000) 8.575 17.293 ( 2.726 -0.000 -0.000) 2.726 17.829 ( 4.694 -0.000 -0.000) 4.694 17.863 ( 4.368 -0.000 -0.000) 4.368 18.240 ( -4.031 0.000 0.000) 4.031 18.462 ( 0.889 -0.000 -0.000) 0.889 19.261 ( -23.872 0.000 0.000) 23.872 19.544 ( 0.276 -0.000 -0.000) 0.276 19.672 ( -9.491 0.000 0.000) 9.491 19.881 ( 2.672 -0.000 -0.000) 2.672 20.322 ( 18.382 -0.000 -0.000) 18.382 22.422 ( -6.802 0.000 0.000) 6.802 22.429 ( 6.806 -0.000 -0.000) 6.806 22.453 ( 9.874 -0.000 -0.000) 9.874 23.015 ( -1.436 0.000 0.000) 1.436======================= Grid point 176 (81/84) =======================q-point: ( 0.40 -0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.976 ( -0.000 1.328 0.000) 1.328 2.085 ( -0.000 12.809 0.000) 12.809 2.510 ( -0.000 5.382 0.000) 5.382 2.695 ( 0.000 -14.577 -0.000) 14.577 2.722 ( -0.000 14.937 0.000) 14.937 2.983 ( -0.000 3.079 0.000) 3.079 3.072 ( -0.000 7.422 0.000) 7.422 3.271 ( -0.000 3.505 0.000) 3.505 3.741 ( 0.000 -2.353 -0.000) 2.353 3.884 ( -0.000 15.809 0.000) 15.809 3.915 ( 0.000 -13.814 -0.000) 13.814 3.997 ( -0.000 21.033 0.000) 21.033 4.236 ( -0.000 10.485 0.000) 10.485 4.468 ( 0.000 -6.956 -0.000) 6.956 4.832 ( -0.000 22.047 0.000) 22.047 4.877 ( 0.000 -0.074 -0.000) 0.074 5.006 ( -0.000 7.596 0.000) 7.596 5.490 ( -0.000 1.726 0.000) 1.726 5.566 ( 0.000 -11.320 -0.000) 11.320 5.710 ( -0.000 7.940 0.000) 7.940 5.806 ( 0.000 -7.753 -0.000) 7.753 6.042 ( 0.000 -0.167 -0.000) 0.167 6.130 ( 0.000 -5.552 -0.000) 5.552 6.781 ( 0.000 -9.621 -0.000) 9.621 6.842 ( -0.000 10.596 0.000) 10.596 6.953 ( 0.000 -10.278 -0.000) 10.278 7.201 ( -0.000 12.886 0.000) 12.886 7.206 ( 0.000 -10.057 -0.000) 10.057 7.668 ( 0.000 -15.930 -0.000) 15.930 8.045 ( 0.000 -4.712 -0.000) 4.712 8.825 ( 0.000 -2.409 -0.000) 2.409 8.966 ( 0.000 -8.536 -0.000) 8.536 9.227 ( 0.000 -7.538 -0.000) 7.538 9.482 ( 0.000 -2.515 -0.000) 2.515 9.920 ( -0.000 18.302 0.000) 18.302 10.056 ( -0.000 3.024 0.000) 3.024 10.286 ( -0.000 4.454 0.000) 4.454 10.652 ( -0.000 0.722 0.000) 0.722 10.668 ( -0.000 0.714 0.000) 0.714 10.845 ( -0.000 4.071 0.000) 4.071 11.472 ( -0.000 4.173 0.000) 4.173 11.507 ( 0.000 -8.259 -0.000) 8.259 11.526 ( -0.000 3.576 0.000) 3.576 11.842 ( 0.000 -6.440 -0.000) 6.440 12.072 ( -0.000 2.554 0.000) 2.554 12.138 ( 0.000 -6.003 -0.000) 6.003 12.224 ( 0.000 -11.054 -0.000) 11.054 12.230 ( 0.000 -9.868 -0.000) 9.868 12.709 ( -0.000 0.475 0.000) 0.475 13.305 ( 0.000 -0.339 -0.000) 0.339 13.551 ( -0.000 2.000 0.000) 2.000 14.444 ( -0.000 5.146 0.000) 5.146 17.394 ( 0.000 -4.172 -0.000) 4.172 17.823 ( -0.000 6.759 0.000) 6.759 17.847 ( -0.000 24.351 0.000) 24.351 18.011 ( 0.000 -4.698 -0.000) 4.698 18.713 ( 0.000 -3.524 -0.000) 3.524 18.910 ( 0.000 -27.086 -0.000) 27.086 19.347 ( -0.000 10.139 0.000) 10.139 19.564 ( 0.000 -1.563 -0.000) 1.563 19.904 ( -0.000 4.147 0.000) 4.147 20.890 ( 0.000 -9.391 -0.000) 9.391 22.184 ( -0.000 1.907 0.000) 1.907 22.600 ( 0.000 -1.406 -0.000) 1.406 22.673 ( -0.000 4.751 0.000) 4.751 22.880 ( -0.000 3.158 0.000) 3.158======================= Grid point 183 (82/84) =======================q-point: (-0.42 0.58 -0.58)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.008 ( 0.000 -0.000 1.544) 1.544 2.363 ( 0.000 -0.000 7.769) 7.769 2.446 ( -0.000 0.000 -3.343) 3.343 2.580 ( -0.000 0.000 -0.228) 0.228 2.720 ( -0.000 0.000 -9.863) 9.863 3.058 ( 0.000 -0.000 4.283) 4.283 3.245 ( -0.000 0.000 -1.415) 1.415 3.267 ( -0.000 0.000 -0.158) 0.158 3.675 ( -0.000 0.000 -2.779) 2.779 3.781 ( -0.000 0.000 -13.592) 13.592 3.853 ( 0.000 -0.000 9.859) 9.859 4.140 ( -0.000 0.000 -11.757) 11.757 4.445 ( -0.000 0.000 -0.425) 0.425 4.458 ( 0.000 -0.000 8.724) 8.724 4.852 ( -0.000 0.000 -1.995) 1.995 5.045 ( -0.000 0.000 -4.306) 4.306 5.047 ( -0.000 0.000 -4.737) 4.737 5.346 ( -0.000 0.000 -1.292) 1.292 5.616 ( -0.000 0.000 -7.482) 7.482 5.681 ( 0.000 -0.000 12.118) 12.118 5.872 ( 0.000 -0.000 5.897) 5.897 6.050 ( -0.000 0.000 -0.817) 0.817 6.066 ( 0.000 -0.000 1.363) 1.363 6.635 ( -0.000 0.000 -2.750) 2.750 6.867 ( -0.000 0.000 -18.877) 18.877 6.961 ( 0.000 -0.000 9.699) 9.699 7.054 ( 0.000 -0.000 2.821) 2.821 7.373 ( 0.000 -0.000 4.406) 4.406 7.581 ( 0.000 -0.000 9.169) 9.169 8.009 ( 0.000 -0.000 1.230) 1.230 8.809 ( 0.000 -0.000 1.109) 1.109 8.903 ( 0.000 -0.000 1.460) 1.460 9.229 ( 0.000 -0.000 7.752) 7.752 9.463 ( 0.000 -0.000 0.612) 0.612 9.732 ( -0.000 0.000 -18.852) 18.852 10.310 ( 0.000 -0.000 5.920) 5.920 10.318 ( -0.000 0.000 -2.168) 2.168 10.547 ( -0.000 0.000 -8.862) 8.862 10.645 ( -0.000 0.000 -2.775) 2.775 10.904 ( -0.000 0.000 -0.123) 0.123 11.390 ( -0.000 0.000 -2.176) 2.176 11.437 ( -0.000 0.000 -4.434) 4.434 11.693 ( 0.000 -0.000 10.109) 10.109 11.826 ( 0.000 -0.000 4.830) 4.830 11.957 ( -0.000 0.000 -8.612) 8.612 12.006 ( -0.000 0.000 -8.875) 8.875 12.155 ( 0.000 -0.000 1.593) 1.593 12.254 ( 0.000 -0.000 11.323) 11.323 12.800 ( 0.000 -0.000 7.018) 7.018 13.367 ( 0.000 -0.000 5.318) 5.318 13.549 ( -0.000 0.000 -2.033) 2.033 14.499 ( 0.000 -0.000 0.446) 0.446 17.440 ( 0.000 -0.000 7.896) 7.896 17.657 ( -0.000 0.000 -15.278) 15.278 17.914 ( -0.000 0.000 -4.422) 4.422 18.334 ( -0.000 0.000 -12.066) 12.066 18.442 ( 0.000 -0.000 11.739) 11.739 18.676 ( 0.000 -0.000 0.308) 0.308 19.547 ( -0.000 0.000 -0.216) 0.216 19.571 ( 0.000 -0.000 8.882) 8.882 20.046 ( 0.000 -0.000 8.437) 8.437 20.819 ( 0.000 -0.000 2.955) 2.955 22.074 ( -0.000 0.000 -10.443) 10.443 22.564 ( -0.000 0.000 -1.987) 1.987 22.763 ( 0.000 -0.000 2.962) 2.962 22.892 ( -0.000 0.000 -1.788) 1.788======================= Grid point 190 (83/84) =======================q-point: (-0.43 0.43 -0.57)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.972 ( 1.918 -0.000 -0.000) 1.918 2.286 ( -4.057 0.000 0.000) 4.057 2.434 ( 4.732 -0.000 -0.000) 4.732 2.545 ( 3.909 -0.000 -0.000) 3.909 2.860 ( -1.297 0.000 0.000) 1.297 3.016 ( -2.756 0.000 0.000) 2.756 3.176 ( 7.407 -0.000 -0.000) 7.407 3.330 ( -2.772 0.000 0.000) 2.772 3.612 ( 8.973 -0.000 -0.000) 8.973 3.844 ( -12.465 0.000 0.000) 12.465 4.131 ( 0.824 -0.000 -0.000) 0.824 4.261 ( -11.508 0.000 0.000) 11.508 4.317 ( -0.304 0.000 0.000) 0.304 4.435 ( -0.969 0.000 0.000) 0.969 4.927 ( -5.022 0.000 0.000) 5.022 5.083 ( 5.425 -0.000 -0.000) 5.425 5.086 ( -0.653 0.000 0.000) 0.653 5.390 ( 13.265 -0.000 -0.000) 13.265 5.482 ( -8.862 0.000 0.000) 8.862 5.710 ( -4.223 0.000 0.000) 4.223 5.810 ( 1.172 -0.000 -0.000) 1.172 5.996 ( 5.920 -0.000 -0.000) 5.920 6.034 ( 4.092 -0.000 -0.000) 4.092 6.496 ( 19.723 -0.000 -0.000) 19.723 6.767 ( -8.120 0.000 0.000) 8.120 7.113 ( -1.727 0.000 0.000) 1.727 7.213 ( -8.930 0.000 0.000) 8.930 7.219 ( 11.331 -0.000 -0.000) 11.331 7.655 ( -17.701 0.000 0.000) 17.701 8.017 ( -2.219 0.000 0.000) 2.219 8.715 ( 9.089 -0.000 -0.000) 9.089 8.852 ( 1.703 -0.000 -0.000) 1.703 9.158 ( -2.236 0.000 0.000) 2.236 9.453 ( 0.264 -0.000 -0.000) 0.264 10.024 ( 7.535 -0.000 -0.000) 7.535 10.024 ( 5.749 -0.000 -0.000) 5.749 10.335 ( 0.878 -0.000 -0.000) 0.878 10.682 ( -0.711 0.000 0.000) 0.711 10.736 ( -6.376 0.000 0.000) 6.376 10.833 ( 6.264 -0.000 -0.000) 6.264 11.423 ( -0.292 0.000 0.000) 0.292 11.553 ( 3.565 -0.000 -0.000) 3.565 11.581 ( 14.614 -0.000 -0.000) 14.614 11.615 ( -9.391 0.000 0.000) 9.391 12.014 ( 0.074 -0.000 -0.000) 0.074 12.083 ( 1.690 -0.000 -0.000) 1.690 12.097 ( 0.161 -0.000 -0.000) 0.161 12.300 ( -12.478 0.000 0.000) 12.478 12.937 ( -18.426 0.000 0.000) 18.426 13.271 ( 3.038 -0.000 -0.000) 3.038 13.533 ( 3.805 -0.000 -0.000) 3.805 14.544 ( -5.110 0.000 0.000) 5.110 17.335 ( 1.562 -0.000 -0.000) 1.562 17.880 ( 1.114 -0.000 -0.000) 1.114 17.936 ( 2.980 -0.000 -0.000) 2.980 18.219 ( 1.460 -0.000 -0.000) 1.460 18.475 ( 0.477 -0.000 -0.000) 0.477 18.862 ( -16.900 0.000 0.000) 16.900 19.520 ( -5.994 0.000 0.000) 5.994 19.548 ( 0.136 -0.000 -0.000) 0.136 19.925 ( 1.844 -0.000 -0.000) 1.844 20.643 ( 13.791 -0.000 -0.000) 13.791 22.282 ( -6.988 0.000 0.000) 6.988 22.541 ( 4.436 -0.000 -0.000) 4.436 22.626 ( 7.941 -0.000 -0.000) 7.941 22.963 ( -3.635 0.000 0.000) 3.635======================= Grid point 224 (84/84) =======================q-point: (-0.50 0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.989 ( -0.000 0.000 0.000) 0.000 2.247 ( -0.000 0.000 0.000) 0.000 2.484 ( 0.000 0.000 0.000) 0.000 2.584 ( -0.000 0.000 0.000) 0.000 2.814 ( -0.000 0.000 0.000) 0.000 3.013 ( -0.000 0.000 0.000) 0.000 3.260 ( -0.000 0.000 0.000) 0.000 3.306 ( -0.000 0.000 0.000) 0.000 3.707 ( -0.000 0.000 0.000) 0.000 3.719 ( -0.000 0.000 0.000) 0.000 4.136 ( 0.000 0.000 0.000) 0.000 4.140 ( 0.000 0.000 0.000) 0.000 4.303 ( -0.000 0.000 0.000) 0.000 4.419 ( -0.000 0.000 0.000) 0.000 4.878 ( -0.000 0.000 0.000) 0.000 5.093 ( 0.000 0.000 0.000) 0.000 5.117 ( -0.000 0.000 0.000) 0.000 5.384 ( -0.000 0.000 0.000) 0.000 5.520 ( -0.000 0.000 0.000) 0.000 5.683 ( -0.000 0.000 0.000) 0.000 5.826 ( -0.000 0.000 0.000) 0.000 6.051 ( -0.000 0.000 0.000) 0.000 6.069 ( -0.000 0.000 0.000) 0.000 6.682 ( 0.000 0.000 0.000) 0.000 6.846 ( -0.000 0.000 0.000) 0.000 6.977 ( -0.000 0.000 0.000) 0.000 7.100 ( 0.000 0.000 0.000) 0.000 7.328 ( -0.000 0.000 0.000) 0.000 7.484 ( -0.000 0.000 0.000) 0.000 7.995 ( -0.000 0.000 0.000) 0.000 8.803 ( 0.000 0.000 0.000) 0.000 8.875 ( -0.000 0.000 0.000) 0.000 9.143 ( -0.000 0.000 0.000) 0.000 9.457 ( -0.000 0.000 0.000) 0.000 10.086 ( -0.000 0.000 0.000) 0.000 10.101 ( -0.000 0.000 0.000) 0.000 10.342 ( -0.000 0.000 0.000) 0.000 10.664 ( -0.000 0.000 0.000) 0.000 10.677 ( -0.000 0.000 0.000) 0.000 10.894 ( -0.000 0.000 0.000) 0.000 11.419 ( -0.000 0.000 0.000) 0.000 11.524 ( -0.000 0.000 0.000) 0.000 11.561 ( -0.000 0.000 0.000) 0.000 11.767 ( -0.000 0.000 0.000) 0.000 12.097 ( -0.000 0.000 0.000) 0.000 12.098 ( -0.000 0.000 0.000) 0.000 12.101 ( -0.000 0.000 0.000) 0.000 12.111 ( -0.000 0.000 0.000) 0.000 12.715 ( -0.000 0.000 0.000) 0.000 13.301 ( -0.000 0.000 0.000) 0.000 13.571 ( -0.000 0.000 0.000) 0.000 14.494 ( -0.000 0.000 0.000) 0.000 17.350 ( -0.000 0.000 0.000) 0.000 17.888 ( 0.000 0.000 0.000) 0.000 17.966 ( 0.000 0.000 0.000) 0.000 18.251 ( -0.000 0.000 0.000) 0.000 18.480 ( -0.000 0.000 0.000) 0.000 18.680 ( -0.000 0.000 0.000) 0.000 19.460 ( 0.000 0.000 0.000) 0.000 19.549 ( -0.000 0.000 0.000) 0.000 19.944 ( -0.000 0.000 0.000) 0.000 20.787 ( 0.000 0.000 0.000) 0.000 22.204 ( 0.000 0.000 0.000) 0.000 22.585 ( 0.000 0.000 0.000) 0.000 22.720 ( -0.000 0.000 0.000) 0.000 22.911 ( -0.000 0.000 0.000) 0.000=================== 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 3/27720 10.0 2582.697 2195.706 1480.488 -0.000 0.000 -0.000 3/27720 20.0 339.130 298.099 161.662 -0.000 0.000 -0.000 3/27720 30.0 112.656 99.803 58.553 -0.000 0.000 -0.000 3/27720 40.0 59.489 53.218 32.634 -0.000 0.000 -0.000 3/27720 50.0 38.884 34.882 21.932 -0.000 0.000 -0.000 3/27720 60.0 28.502 25.583 16.349 -0.000 0.000 -0.000 3/27720 70.0 22.378 20.097 12.995 -0.000 0.000 -0.000 3/27720 80.0 18.375 16.520 10.779 -0.000 0.000 -0.000 3/27720 90.0 15.567 14.021 9.213 -0.000 0.000 -0.000 3/27720 100.0 13.496 12.181 8.051 -0.000 0.000 -0.000 3/27720 110.0 11.909 10.774 7.155 -0.000 0.000 -0.000 3/27720 120.0 10.656 9.664 6.444 -0.000 0.000 -0.000 3/27720 130.0 9.643 8.766 5.864 -0.000 0.000 -0.000 3/27720 140.0 8.807 8.025 5.384 -0.000 0.000 -0.000 3/27720 150.0 8.107 7.403 4.978 -0.000 0.000 -0.000 3/27720 160.0 7.512 6.873 4.631 -0.000 0.000 -0.000 3/27720 170.0 6.999 6.416 4.331 -0.000 0.000 -0.000 3/27720 180.0 6.554 6.018 4.069 -0.000 0.000 -0.000 3/27720 190.0 6.163 5.668 3.837 -0.000 0.000 -0.000 3/27720 200.0 5.817 5.358 3.631 -0.000 0.000 -0.000 3/27720 210.0 5.509 5.081 3.447 -0.000 0.000 -0.000 3/27720 220.0 5.232 4.832 3.280 -0.000 0.000 -0.000 3/27720 230.0 4.983 4.607 3.130 -0.000 0.000 -0.000 3/27720 240.0 4.757 4.403 2.993 -0.000 0.000 -0.000 3/27720 250.0 4.551 4.216 2.868 -0.000 0.000 -0.000 3/27720 260.0 4.363 4.045 2.753 -0.000 0.000 -0.000 3/27720 270.0 4.190 3.888 2.647 -0.000 0.000 -0.000 3/27720 280.0 4.031 3.743 2.549 -0.000 0.000 -0.000 3/27720 290.0 3.883 3.609 2.459 -0.000 0.000 -0.000 3/27720 300.0 3.746 3.484 2.374 -0.000 0.000 -0.000 3/27720 310.0 3.619 3.367 2.296 -0.000 0.000 -0.000 3/27720 320.0 3.500 3.258 2.222 -0.000 0.000 -0.000 3/27720 330.0 3.389 3.157 2.153 -0.000 0.000 -0.000 3/27720 340.0 3.285 3.061 2.088 -0.000 0.000 -0.000 3/27720 350.0 3.188 2.971 2.028 -0.000 0.000 -0.000 3/27720 360.0 3.096 2.887 1.970 -0.000 0.000 -0.000 3/27720 370.0 3.009 2.807 1.916 -0.000 0.000 -0.000 3/27720 380.0 2.927 2.731 1.865 -0.000 0.000 -0.000 3/27720 390.0 2.849 2.660 1.816 -0.000 0.000 -0.000 3/27720 400.0 2.776 2.592 1.770 -0.000 0.000 -0.000 3/27720 410.0 2.706 2.528 1.727 -0.000 0.000 -0.000 3/27720 420.0 2.640 2.467 1.685 -0.000 0.000 -0.000 3/27720 430.0 2.577 2.408 1.645 -0.000 0.000 -0.000 3/27720 440.0 2.517 2.353 1.607 -0.000 0.000 -0.000 3/27720 450.0 2.460 2.300 1.571 -0.000 0.000 -0.000 3/27720 460.0 2.405 2.249 1.537 -0.000 0.000 -0.000 3/27720 470.0 2.353 2.201 1.504 -0.000 0.000 -0.000 3/27720 480.0 2.303 2.154 1.472 -0.000 0.000 -0.000 3/27720 490.0 2.255 2.110 1.442 -0.000 0.000 -0.000 3/27720 500.0 2.209 2.067 1.413 -0.000 0.000 -0.000 3/27720 510.0 2.165 2.026 1.385 -0.000 0.000 -0.000 3/27720 520.0 2.123 1.987 1.358 -0.000 0.000 -0.000 3/27720 530.0 2.082 1.949 1.332 -0.000 0.000 -0.000 3/27720 540.0 2.043 1.912 1.308 -0.000 0.000 -0.000 3/27720 550.0 2.005 1.877 1.284 -0.000 0.000 -0.000 3/27720 560.0 1.969 1.844 1.261 -0.000 0.000 -0.000 3/27720 570.0 1.934 1.811 1.238 -0.000 0.000 -0.000 3/27720 580.0 1.900 1.780 1.217 -0.000 0.000 -0.000 3/27720 590.0 1.867 1.749 1.196 -0.000 0.000 -0.000 3/27720 600.0 1.836 1.720 1.176 -0.000 0.000 -0.000 3/27720 610.0 1.805 1.691 1.157 -0.000 0.000 -0.000 3/27720 620.0 1.776 1.664 1.138 -0.000 0.000 -0.000 3/27720 630.0 1.747 1.637 1.120 -0.000 0.000 -0.000 3/27720 640.0 1.720 1.612 1.102 -0.000 0.000 -0.000 3/27720 650.0 1.693 1.587 1.085 -0.000 0.000 -0.000 3/27720 660.0 1.667 1.563 1.069 -0.000 0.000 -0.000 3/27720 670.0 1.642 1.539 1.053 -0.000 0.000 -0.000 3/27720 680.0 1.618 1.516 1.037 -0.000 0.000 -0.000 3/27720 690.0 1.594 1.494 1.022 -0.000 0.000 -0.000 3/27720 700.0 1.571 1.473 1.008 -0.000 0.000 -0.000 3/27720 710.0 1.549 1.452 0.993 -0.000 0.000 -0.000 3/27720 720.0 1.527 1.432 0.980 -0.000 0.000 -0.000 3/27720 730.0 1.506 1.412 0.966 -0.000 0.000 -0.000 3/27720 740.0 1.485 1.393 0.953 -0.000 0.000 -0.000 3/27720 750.0 1.465 1.374 0.940 -0.000 0.000 -0.000 3/27720 760.0 1.446 1.356 0.928 -0.000 0.000 -0.000 3/27720 770.0 1.427 1.338 0.916 -0.000 0.000 -0.000 3/27720 780.0 1.409 1.321 0.904 -0.000 0.000 -0.000 3/27720 790.0 1.391 1.304 0.893 -0.000 0.000 -0.000 3/27720 800.0 1.373 1.288 0.881 -0.000 0.000 -0.000 3/27720 810.0 1.356 1.272 0.871 -0.000 0.000 -0.000 3/27720 820.0 1.340 1.257 0.860 -0.000 0.000 -0.000 3/27720 830.0 1.323 1.241 0.850 -0.000 0.000 -0.000 3/27720 840.0 1.307 1.227 0.839 -0.000 0.000 -0.000 3/27720 850.0 1.292 1.212 0.829 -0.000 0.000 -0.000 3/27720 860.0 1.277 1.198 0.820 -0.000 0.000 -0.000 3/27720 870.0 1.262 1.184 0.810 -0.000 0.000 -0.000 3/27720 880.0 1.248 1.171 0.801 -0.000 0.000 -0.000 3/27720 890.0 1.234 1.157 0.792 -0.000 0.000 -0.000 3/27720 900.0 1.220 1.145 0.783 -0.000 0.000 -0.000 3/27720 910.0 1.206 1.132 0.775 -0.000 0.000 -0.000 3/27720 920.0 1.193 1.120 0.766 -0.000 0.000 -0.000 3/27720 930.0 1.180 1.108 0.758 -0.000 0.000 -0.000 3/27720 940.0 1.168 1.096 0.750 -0.000 0.000 -0.000 3/27720 950.0 1.155 1.084 0.742 -0.000 0.000 -0.000 3/27720 960.0 1.143 1.073 0.734 -0.000 0.000 -0.000 3/27720 970.0 1.131 1.062 0.727 -0.000 0.000 -0.000 3/27720 980.0 1.120 1.051 0.719 -0.000 0.000 -0.000 3/27720 990.0 1.109 1.040 0.712 -0.000 0.000 -0.000 3/27720 1000.0 1.097 1.030 0.705 -0.000 0.000 -0.000 3/27720Thermal conductivity related properties were written into "kappa-m11420.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 20:03:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|