----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 04:46:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.692843660000000 -5.227467925000001 0.000000000000000 b 3.692843660000000 5.227467925000001 0.000000000000000 c 0.000000000000000 0.000000000000000 7.445308910000001 Atomic positions (fractional): *1 Y 0.50000000000000 0.50000000000000 0.00000000000000 88.906 2 Y 0.50000000000000 0.50000000000000 0.50000000000000 88.906 *3 Y 0.99990930598248 0.46827930057030 0.75000000000000 88.906 4 Y 0.00009069401752 0.53172069942970 0.25000000000000 88.906 5 Y 0.53172069942970 0.00009069401752 0.75000000000000 88.906 6 Y 0.46827930057030 0.99990930598248 0.25000000000000 88.906 *7 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 8 Sb 0.00000000000000 0.00000000000000 0.50000000000000 121.760 *9 O 0.63706958030098 0.36293041969902 0.75000000000000 15.999 10 O 0.36293041969902 0.63706958030098 0.25000000000000 15.999 *11 O 0.37017459372187 0.62982540627813 0.75000000000000 15.999 12 O 0.62982540627813 0.37017459372187 0.25000000000000 15.999 *13 O 0.92897874882885 0.07102125117115 0.75000000000000 15.999 14 O 0.07102125117115 0.92897874882885 0.25000000000000 15.999 *15 O 0.07348053770493 0.32362747006172 0.02987045055273 15.999 16 O 0.92651946229507 0.67637252993828 0.52987045055273 15.999 17 O 0.67637252993828 0.92651946229507 0.47012954944726 15.999 18 O 0.32362747006172 0.07348053770493 0.97012954944727 15.999 19 O 0.92651946229507 0.67637252993828 0.97012954944727 15.999 20 O 0.07348053770493 0.32362747006172 0.47012954944726 15.999 21 O 0.32362747006172 0.07348053770493 0.52987045055273 15.999 22 O 0.67637252993828 0.92651946229507 0.02987045055273 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.385687320000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.454935850000002 0.000000000000000 c 0.000000000000000 0.000000000000000 7.445308910000001 Atomic positions (fractional): *1 Y 0.50000000000000 0.00000000000000 0.00000000000000 88.906 > 1 2 Y 0.50000000000000 0.00000000000000 0.50000000000000 88.906 > 2 *3 Y 0.73409430327639 0.73418499729391 0.75000000000000 88.906 > 3 4 Y 0.26590569672361 0.26581500270609 0.25000000000000 88.906 > 4 5 Y 0.26590569672361 0.73418499729391 0.75000000000000 88.906 > 5 6 Y 0.73409430327639 0.26581500270609 0.25000000000000 88.906 > 6 7 Y 0.00000000000000 0.50000000000000 0.00000000000000 88.906 > 1 8 Y 0.00000000000000 0.50000000000000 0.50000000000000 88.906 > 2 9 Y 0.23409430327639 0.23418499729391 0.75000000000000 88.906 > 3 10 Y 0.76590569672361 0.76581500270609 0.25000000000000 88.906 > 4 11 Y 0.76590569672361 0.23418499729391 0.75000000000000 88.906 > 5 12 Y 0.23409430327639 0.76581500270609 0.25000000000000 88.906 > 6 *13 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 > 7 14 Sb 0.00000000000000 0.00000000000000 0.50000000000000 121.760 > 8 15 Sb 0.50000000000000 0.50000000000000 0.00000000000000 121.760 > 7 16 Sb 0.50000000000000 0.50000000000000 0.50000000000000 121.760 > 8 *17 O 0.50000000000000 0.86293041969902 0.75000000000000 15.999 > 9 18 O 0.50000000000000 0.13706958030098 0.25000000000000 15.999 > 10 *19 O 0.50000000000000 0.12982540627813 0.75000000000000 15.999 > 11 20 O 0.50000000000000 0.87017459372187 0.25000000000000 15.999 > 12 *21 O 0.50000000000000 0.57102125117115 0.75000000000000 15.999 > 13 22 O 0.50000000000000 0.42897874882885 0.25000000000000 15.999 > 14 *23 O 0.19855400388333 0.12507346617840 0.02987045055273 15.999 > 15 24 O 0.80144599611667 0.87492653382160 0.52987045055273 15.999 > 16 25 O 0.80144599611667 0.12507346617840 0.47012954944726 15.999 > 17 26 O 0.19855400388333 0.87492653382160 0.97012954944727 15.999 > 18 27 O 0.80144599611667 0.87492653382160 0.97012954944727 15.999 > 19 28 O 0.19855400388333 0.12507346617840 0.47012954944726 15.999 > 20 29 O 0.19855400388333 0.87492653382160 0.52987045055273 15.999 > 21 30 O 0.80144599611667 0.12507346617840 0.02987045055273 15.999 > 22 31 O 0.00000000000000 0.36293041969902 0.75000000000000 15.999 > 9 32 O 0.00000000000000 0.63706958030098 0.25000000000000 15.999 > 10 33 O 0.00000000000000 0.62982540627813 0.75000000000000 15.999 > 11 34 O 0.00000000000000 0.37017459372187 0.25000000000000 15.999 > 12 35 O 0.00000000000000 0.07102125117115 0.75000000000000 15.999 > 13 36 O 0.00000000000000 0.92897874882885 0.25000000000000 15.999 > 14 37 O 0.69855400388333 0.62507346617840 0.02987045055273 15.999 > 15 38 O 0.30144599611667 0.37492653382160 0.52987045055273 15.999 > 16 39 O 0.30144599611667 0.62507346617840 0.47012954944726 15.999 > 17 40 O 0.69855400388333 0.37492653382160 0.97012954944727 15.999 > 18 41 O 0.30144599611667 0.37492653382160 0.97012954944727 15.999 > 19 42 O 0.69855400388333 0.62507346617840 0.47012954944726 15.999 > 20 43 O 0.69855400388333 0.37492653382160 0.52987045055273 15.999 > 21 44 O 0.30144599611667 0.62507346617840 0.02987045055273 15.999 > 22 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.771374639999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.454935850000002 0.000000000000000 c 0.000000000000000 0.000000000000000 7.445308910000001 Atomic positions (fractional): *1 Y 0.25000000000000 0.00000000000000 0.00000000000000 88.906 > 1 2 Y 0.75000000000000 0.00000000000000 0.00000000000000 88.906 > 1 3 Y 0.25000000000000 0.00000000000000 0.50000000000000 88.906 > 2 4 Y 0.75000000000000 0.00000000000000 0.50000000000000 88.906 > 2 *5 Y 0.36704715163819 0.73418499729391 0.75000000000000 88.906 > 3 6 Y 0.86704715163819 0.73418499729391 0.75000000000000 88.906 > 3 7 Y 0.13295284836181 0.26581500270609 0.25000000000000 88.906 > 4 8 Y 0.63295284836181 0.26581500270609 0.25000000000000 88.906 > 4 9 Y 0.13295284836181 0.73418499729391 0.75000000000000 88.906 > 5 10 Y 0.63295284836181 0.73418499729391 0.75000000000000 88.906 > 5 11 Y 0.36704715163819 0.26581500270609 0.25000000000000 88.906 > 6 12 Y 0.86704715163819 0.26581500270609 0.25000000000000 88.906 > 6 13 Y 0.00000000000000 0.50000000000000 0.00000000000000 88.906 > 1 14 Y 0.50000000000000 0.50000000000000 0.00000000000000 88.906 > 1 15 Y 0.00000000000000 0.50000000000000 0.50000000000000 88.906 > 2 16 Y 0.50000000000000 0.50000000000000 0.50000000000000 88.906 > 2 17 Y 0.11704715163819 0.23418499729391 0.75000000000000 88.906 > 3 18 Y 0.61704715163819 0.23418499729391 0.75000000000000 88.906 > 3 19 Y 0.38295284836181 0.76581500270609 0.25000000000000 88.906 > 4 20 Y 0.88295284836181 0.76581500270609 0.25000000000000 88.906 > 4 21 Y 0.38295284836181 0.23418499729391 0.75000000000000 88.906 > 5 22 Y 0.88295284836181 0.23418499729391 0.75000000000000 88.906 > 5 23 Y 0.11704715163819 0.76581500270609 0.25000000000000 88.906 > 6 24 Y 0.61704715163819 0.76581500270609 0.25000000000000 88.906 > 6 *25 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 > 7 26 Sb 0.50000000000000 0.00000000000000 0.00000000000000 121.760 > 7 27 Sb 0.00000000000000 0.00000000000000 0.50000000000000 121.760 > 8 28 Sb 0.50000000000000 0.00000000000000 0.50000000000000 121.760 > 8 29 Sb 0.25000000000000 0.50000000000000 0.00000000000000 121.760 > 7 30 Sb 0.75000000000000 0.50000000000000 0.00000000000000 121.760 > 7 31 Sb 0.25000000000000 0.50000000000000 0.50000000000000 121.760 > 8 32 Sb 0.75000000000000 0.50000000000000 0.50000000000000 121.760 > 8 *33 O 0.25000000000000 0.86293041969902 0.75000000000000 15.999 > 9 34 O 0.75000000000000 0.86293041969902 0.75000000000000 15.999 > 9 35 O 0.25000000000000 0.13706958030098 0.25000000000000 15.999 > 10 36 O 0.75000000000000 0.13706958030098 0.25000000000000 15.999 > 10 *37 O 0.25000000000000 0.12982540627813 0.75000000000000 15.999 > 11 38 O 0.75000000000000 0.12982540627813 0.75000000000000 15.999 > 11 39 O 0.25000000000000 0.87017459372187 0.25000000000000 15.999 > 12 40 O 0.75000000000000 0.87017459372187 0.25000000000000 15.999 > 12 *41 O 0.25000000000000 0.57102125117115 0.75000000000000 15.999 > 13 42 O 0.75000000000000 0.57102125117115 0.75000000000000 15.999 > 13 43 O 0.25000000000000 0.42897874882885 0.25000000000000 15.999 > 14 44 O 0.75000000000000 0.42897874882885 0.25000000000000 15.999 > 14 *45 O 0.09927700194166 0.12507346617840 0.02987045055273 15.999 > 15 46 O 0.59927700194166 0.12507346617840 0.02987045055273 15.999 > 15 47 O 0.40072299805834 0.87492653382160 0.52987045055273 15.999 > 16 48 O 0.90072299805834 0.87492653382160 0.52987045055273 15.999 > 16 49 O 0.40072299805834 0.12507346617840 0.47012954944726 15.999 > 17 50 O 0.90072299805834 0.12507346617840 0.47012954944726 15.999 > 17 51 O 0.09927700194166 0.87492653382160 0.97012954944727 15.999 > 18 52 O 0.59927700194166 0.87492653382160 0.97012954944727 15.999 > 18 53 O 0.40072299805834 0.87492653382160 0.97012954944727 15.999 > 19 54 O 0.90072299805834 0.87492653382160 0.97012954944727 15.999 > 19 55 O 0.09927700194166 0.12507346617840 0.47012954944726 15.999 > 20 56 O 0.59927700194166 0.12507346617840 0.47012954944726 15.999 > 20 57 O 0.09927700194166 0.87492653382160 0.52987045055273 15.999 > 21 58 O 0.59927700194166 0.87492653382160 0.52987045055273 15.999 > 21 59 O 0.40072299805834 0.12507346617840 0.02987045055273 15.999 > 22 60 O 0.90072299805834 0.12507346617840 0.02987045055273 15.999 > 22 61 O 0.00000000000000 0.36293041969902 0.75000000000000 15.999 > 9 62 O 0.50000000000000 0.36293041969902 0.75000000000000 15.999 > 9 63 O 0.00000000000000 0.63706958030098 0.25000000000000 15.999 > 10 64 O 0.50000000000000 0.63706958030098 0.25000000000000 15.999 > 10 65 O 0.00000000000000 0.62982540627813 0.75000000000000 15.999 > 11 66 O 0.50000000000000 0.62982540627813 0.75000000000000 15.999 > 11 67 O 0.00000000000000 0.37017459372187 0.25000000000000 15.999 > 12 68 O 0.50000000000000 0.37017459372187 0.25000000000000 15.999 > 12 69 O 0.00000000000000 0.07102125117115 0.75000000000000 15.999 > 13 70 O 0.50000000000000 0.07102125117115 0.75000000000000 15.999 > 13 71 O 0.00000000000000 0.92897874882885 0.25000000000000 15.999 > 14 72 O 0.50000000000000 0.92897874882885 0.25000000000000 15.999 > 14 73 O 0.34927700194166 0.62507346617840 0.02987045055273 15.999 > 15 74 O 0.84927700194166 0.62507346617840 0.02987045055273 15.999 > 15 75 O 0.15072299805834 0.37492653382160 0.52987045055273 15.999 > 16 76 O 0.65072299805834 0.37492653382160 0.52987045055273 15.999 > 16 77 O 0.15072299805834 0.62507346617840 0.47012954944726 15.999 > 17 78 O 0.65072299805834 0.62507346617840 0.47012954944726 15.999 > 17 79 O 0.34927700194166 0.37492653382160 0.97012954944727 15.999 > 18 80 O 0.84927700194166 0.37492653382160 0.97012954944727 15.999 > 18 81 O 0.15072299805834 0.37492653382160 0.97012954944727 15.999 > 19 82 O 0.65072299805834 0.37492653382160 0.97012954944727 15.999 > 19 83 O 0.34927700194166 0.62507346617840 0.47012954944726 15.999 > 20 84 O 0.84927700194166 0.62507346617840 0.47012954944726 15.999 > 20 85 O 0.34927700194166 0.37492653382160 0.52987045055273 15.999 > 21 86 O 0.84927700194166 0.37492653382160 0.52987045055273 15.999 > 21 87 O 0.15072299805834 0.62507346617840 0.02987045055273 15.999 > 22 88 O 0.65072299805834 0.62507346617840 0.02987045055273 15.999 > 22 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2965807 0.0000000 0.0000000 0.0000000 4.3056903 0.0000000 0.0000000 0.0000000 4.2739661 -------------------------- Born effective charges -------------------------- 1 Y 3.7083030 0.0000000 0.0000000 0.0000000 3.7078265 0.1511686 0.0000000 0.0545471 4.3282740 2 Y 3.7083030 0.0000000 0.0000000 0.0000000 3.7078265 -0.1511686 0.0000000 -0.0545471 4.3282740 3 Y 3.7101350 -0.2004499 0.0000000 -0.3442783 4.0017382 0.0000000 0.0000000 0.0000000 3.7413866 4 Y 3.7101350 -0.2004499 0.0000000 -0.3442783 4.0017382 0.0000000 0.0000000 0.0000000 3.7413866 5 Y 3.7101350 0.2004499 0.0000000 0.3442783 4.0017382 0.0000000 0.0000000 0.0000000 3.7413866 6 Y 3.7101350 0.2004499 0.0000000 0.3442783 4.0017382 0.0000000 0.0000000 0.0000000 3.7413866 7 Sb 4.9255368 0.0000000 0.0000000 0.0000000 4.7254199 -0.3305057 0.0000000 -0.7516112 4.7098501 8 Sb 4.9255368 0.0000000 0.0000000 0.0000000 4.7254199 0.3305057 0.0000000 0.7516112 4.7098501 9 O -2.7299875 0.0000000 0.0000000 0.0000000 -2.7255514 0.0000000 0.0000000 0.0000000 -2.4327981 10 O -2.7299875 0.0000000 0.0000000 0.0000000 -2.7255514 0.0000000 0.0000000 0.0000000 -2.4327981 11 O -2.8082195 0.0000000 0.0000000 0.0000000 -2.4174903 0.0000000 0.0000000 0.0000000 -2.5470053 12 O -2.8082195 0.0000000 0.0000000 0.0000000 -2.4174903 0.0000000 0.0000000 0.0000000 -2.5470053 13 O -1.7025501 0.0000000 0.0000000 0.0000000 -2.0561041 0.0000000 0.0000000 0.0000000 -2.9062108 14 O -1.7025501 0.0000000 0.0000000 0.0000000 -2.0561041 0.0000000 0.0000000 0.0000000 -2.9062108 15 O -2.2033382 -0.3839904 -0.1037815 -0.3541740 -2.3093943 -0.1436722 -0.1736120 -0.2241201 -2.1587208 16 O -2.2033382 -0.3839904 0.1037815 -0.3541740 -2.3093943 0.1436722 0.1736120 0.2241201 -2.1587208 17 O -2.2033382 0.3839904 -0.1037815 0.3541740 -2.3093943 0.1436722 -0.1736120 0.2241201 -2.1587208 18 O -2.2033382 0.3839904 0.1037815 0.3541740 -2.3093943 -0.1436722 0.1736120 -0.2241201 -2.1587208 19 O -2.2033382 -0.3839904 -0.1037815 -0.3541740 -2.3093943 -0.1436722 -0.1736120 -0.2241201 -2.1587208 20 O -2.2033382 -0.3839904 0.1037815 -0.3541740 -2.3093943 0.1436722 0.1736120 0.2241201 -2.1587208 21 O -2.2033382 0.3839904 -0.1037815 0.3541740 -2.3093943 0.1436722 -0.1736120 0.2241201 -2.1587208 22 O -2.2033382 0.3839904 0.1037815 0.3541740 -2.3093943 -0.1436722 0.1736120 -0.2241201 -2.1587208 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 264/264 Permutation basis: 10902/10902 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1252 Number of blocks in projector: 1252 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 254 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 220 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 202 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 202 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 202 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 172 Use standard eigh solver. Tree of FC basis block matrices: - (1252, 1219), data: False |-- (172, 170), data: True |-- (202, 195), data: True |-- (202, 195), data: True |-- (202, 195), data: True |-- (220, 214), data: True |-- (254, 250), data: True ----- Solver_atoms: 1 -- 88 / 88 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 400 - Time: 1.158 Solver_block: 200 / 400 - Time: 1.157 Solver_block: 300 / 400 - Time: 1.156 Solver_block: 400 / 400 - Time: 1.155 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.651 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 264/264 Permutation basis: 10902/10902 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1252 Number of blocks in projector: 1252 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 254 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 220 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 202 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 202 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 202 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 172 Use standard eigh solver. Tree of FC basis block matrices: - (1252, 1219), data: False |-- (172, 170), data: True |-- (202, 195), data: True |-- (202, 195), data: True |-- (202, 195), data: True |-- (220, 214), data: True |-- (254, 250), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 04:46:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:46:37]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.692843660000000 -5.227467925000001 0.000000000000000 b 3.692843660000000 5.227467925000001 0.000000000000000 c 0.000000000000000 0.000000000000000 7.445308910000001 Atomic positions (fractional): 1 Y 0.50000000000000 0.50000000000000 0.00000000000000 88.906 2 Y 0.50000000000000 0.50000000000000 0.50000000000000 88.906 3 Y 0.99990930598248 0.46827930057030 0.75000000000000 88.906 4 Y 0.00009069401752 0.53172069942970 0.25000000000000 88.906 5 Y 0.53172069942970 0.00009069401752 0.75000000000000 88.906 6 Y 0.46827930057030 0.99990930598248 0.25000000000000 88.906 7 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 8 Sb 0.00000000000000 0.00000000000000 0.50000000000000 121.760 9 O 0.63706958030098 0.36293041969902 0.75000000000000 15.999 10 O 0.36293041969902 0.63706958030098 0.25000000000000 15.999 11 O 0.37017459372187 0.62982540627813 0.75000000000000 15.999 12 O 0.62982540627813 0.37017459372187 0.25000000000000 15.999 13 O 0.92897874882885 0.07102125117115 0.75000000000000 15.999 14 O 0.07102125117115 0.92897874882885 0.25000000000000 15.999 15 O 0.07348053770493 0.32362747006172 0.02987045055273 15.999 16 O 0.92651946229507 0.67637252993828 0.52987045055273 15.999 17 O 0.67637252993828 0.92651946229507 0.47012954944726 15.999 18 O 0.32362747006172 0.07348053770493 0.97012954944727 15.999 19 O 0.92651946229507 0.67637252993828 0.97012954944727 15.999 20 O 0.07348053770493 0.32362747006172 0.47012954944726 15.999 21 O 0.32362747006172 0.07348053770493 0.52987045055273 15.999 22 O 0.67637252993828 0.92651946229507 0.02987045055273 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.771374639999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.454935850000002 0.000000000000000 c 0.000000000000000 0.000000000000000 7.445308910000001 Atomic positions (fractional): 1 Y 0.25000000000000 0.00000000000000 0.00000000000000 88.906 > 1 2 Y 0.75000000000000 0.00000000000000 0.00000000000000 88.906 > 1 3 Y 0.25000000000000 0.00000000000000 0.50000000000000 88.906 > 3 4 Y 0.75000000000000 0.00000000000000 0.50000000000000 88.906 > 3 5 Y 0.36704715163819 0.73418499729391 0.75000000000000 88.906 > 5 6 Y 0.86704715163819 0.73418499729391 0.75000000000000 88.906 > 5 7 Y 0.13295284836181 0.26581500270609 0.25000000000000 88.906 > 7 8 Y 0.63295284836181 0.26581500270609 0.25000000000000 88.906 > 7 9 Y 0.13295284836181 0.73418499729391 0.75000000000000 88.906 > 9 10 Y 0.63295284836181 0.73418499729391 0.75000000000000 88.906 > 9 11 Y 0.36704715163819 0.26581500270609 0.25000000000000 88.906 > 11 12 Y 0.86704715163819 0.26581500270609 0.25000000000000 88.906 > 11 13 Y 0.00000000000000 0.50000000000000 0.00000000000000 88.906 > 1 14 Y 0.50000000000000 0.50000000000000 0.00000000000000 88.906 > 1 15 Y 0.00000000000000 0.50000000000000 0.50000000000000 88.906 > 3 16 Y 0.50000000000000 0.50000000000000 0.50000000000000 88.906 > 3 17 Y 0.11704715163819 0.23418499729391 0.75000000000000 88.906 > 5 18 Y 0.61704715163819 0.23418499729391 0.75000000000000 88.906 > 5 19 Y 0.38295284836181 0.76581500270609 0.25000000000000 88.906 > 7 20 Y 0.88295284836181 0.76581500270609 0.25000000000000 88.906 > 7 21 Y 0.38295284836181 0.23418499729391 0.75000000000000 88.906 > 9 22 Y 0.88295284836181 0.23418499729391 0.75000000000000 88.906 > 9 23 Y 0.11704715163819 0.76581500270609 0.25000000000000 88.906 > 11 24 Y 0.61704715163819 0.76581500270609 0.25000000000000 88.906 > 11 25 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 > 25 26 Sb 0.50000000000000 0.00000000000000 0.00000000000000 121.760 > 25 27 Sb 0.00000000000000 0.00000000000000 0.50000000000000 121.760 > 27 28 Sb 0.50000000000000 0.00000000000000 0.50000000000000 121.760 > 27 29 Sb 0.25000000000000 0.50000000000000 0.00000000000000 121.760 > 25 30 Sb 0.75000000000000 0.50000000000000 0.00000000000000 121.760 > 25 31 Sb 0.25000000000000 0.50000000000000 0.50000000000000 121.760 > 27 32 Sb 0.75000000000000 0.50000000000000 0.50000000000000 121.760 > 27 33 O 0.25000000000000 0.86293041969902 0.75000000000000 15.999 > 33 34 O 0.75000000000000 0.86293041969902 0.75000000000000 15.999 > 33 35 O 0.25000000000000 0.13706958030098 0.25000000000000 15.999 > 35 36 O 0.75000000000000 0.13706958030098 0.25000000000000 15.999 > 35 37 O 0.25000000000000 0.12982540627813 0.75000000000000 15.999 > 37 38 O 0.75000000000000 0.12982540627813 0.75000000000000 15.999 > 37 39 O 0.25000000000000 0.87017459372187 0.25000000000000 15.999 > 39 40 O 0.75000000000000 0.87017459372187 0.25000000000000 15.999 > 39 41 O 0.25000000000000 0.57102125117115 0.75000000000000 15.999 > 41 42 O 0.75000000000000 0.57102125117115 0.75000000000000 15.999 > 41 43 O 0.25000000000000 0.42897874882885 0.25000000000000 15.999 > 43 44 O 0.75000000000000 0.42897874882885 0.25000000000000 15.999 > 43 45 O 0.09927700194166 0.12507346617840 0.02987045055273 15.999 > 45 46 O 0.59927700194166 0.12507346617840 0.02987045055273 15.999 > 45 47 O 0.40072299805834 0.87492653382160 0.52987045055273 15.999 > 47 48 O 0.90072299805834 0.87492653382160 0.52987045055273 15.999 > 47 49 O 0.40072299805834 0.12507346617840 0.47012954944726 15.999 > 49 50 O 0.90072299805834 0.12507346617840 0.47012954944726 15.999 > 49 51 O 0.09927700194166 0.87492653382160 0.97012954944727 15.999 > 51 52 O 0.59927700194166 0.87492653382160 0.97012954944727 15.999 > 51 53 O 0.40072299805834 0.87492653382160 0.97012954944727 15.999 > 53 54 O 0.90072299805834 0.87492653382160 0.97012954944727 15.999 > 53 55 O 0.09927700194166 0.12507346617840 0.47012954944726 15.999 > 55 56 O 0.59927700194166 0.12507346617840 0.47012954944726 15.999 > 55 57 O 0.09927700194166 0.87492653382160 0.52987045055273 15.999 > 57 58 O 0.59927700194166 0.87492653382160 0.52987045055273 15.999 > 57 59 O 0.40072299805834 0.12507346617840 0.02987045055273 15.999 > 59 60 O 0.90072299805834 0.12507346617840 0.02987045055273 15.999 > 59 61 O 0.00000000000000 0.36293041969902 0.75000000000000 15.999 > 33 62 O 0.50000000000000 0.36293041969902 0.75000000000000 15.999 > 33 63 O 0.00000000000000 0.63706958030098 0.25000000000000 15.999 > 35 64 O 0.50000000000000 0.63706958030098 0.25000000000000 15.999 > 35 65 O 0.00000000000000 0.62982540627813 0.75000000000000 15.999 > 37 66 O 0.50000000000000 0.62982540627813 0.75000000000000 15.999 > 37 67 O 0.00000000000000 0.37017459372187 0.25000000000000 15.999 > 39 68 O 0.50000000000000 0.37017459372187 0.25000000000000 15.999 > 39 69 O 0.00000000000000 0.07102125117115 0.75000000000000 15.999 > 41 70 O 0.50000000000000 0.07102125117115 0.75000000000000 15.999 > 41 71 O 0.00000000000000 0.92897874882885 0.25000000000000 15.999 > 43 72 O 0.50000000000000 0.92897874882885 0.25000000000000 15.999 > 43 73 O 0.34927700194166 0.62507346617840 0.02987045055273 15.999 > 45 74 O 0.84927700194166 0.62507346617840 0.02987045055273 15.999 > 45 75 O 0.15072299805834 0.37492653382160 0.52987045055273 15.999 > 47 76 O 0.65072299805834 0.37492653382160 0.52987045055273 15.999 > 47 77 O 0.15072299805834 0.62507346617840 0.47012954944726 15.999 > 49 78 O 0.65072299805834 0.62507346617840 0.47012954944726 15.999 > 49 79 O 0.34927700194166 0.37492653382160 0.97012954944727 15.999 > 51 80 O 0.84927700194166 0.37492653382160 0.97012954944727 15.999 > 51 81 O 0.15072299805834 0.37492653382160 0.97012954944727 15.999 > 53 82 O 0.65072299805834 0.37492653382160 0.97012954944727 15.999 > 53 83 O 0.34927700194166 0.62507346617840 0.47012954944726 15.999 > 55 84 O 0.84927700194166 0.62507346617840 0.47012954944726 15.999 > 55 85 O 0.34927700194166 0.37492653382160 0.52987045055273 15.999 > 57 86 O 0.84927700194166 0.37492653382160 0.52987045055273 15.999 > 57 87 O 0.15072299805834 0.62507346617840 0.02987045055273 15.999 > 59 88 O 0.65072299805834 0.62507346617840 0.02987045055273 15.999 > 59 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2965807 0.0000000 0.0000000 0.0000000 4.3056903 0.0000000 0.0000000 0.0000000 4.2739661 -------------------------- Born effective charges -------------------------- 1 Y 3.7083030 0.0000000 0.0000000 0.0000000 3.7078265 0.1511686 0.0000000 0.0545471 4.3282740 2 Y 3.7083030 0.0000000 0.0000000 0.0000000 3.7078265 -0.1511686 0.0000000 -0.0545471 4.3282740 3 Y 3.7101350 -0.2004499 0.0000000 -0.3442783 4.0017382 0.0000000 0.0000000 0.0000000 3.7413866 4 Y 3.7101350 -0.2004499 0.0000000 -0.3442783 4.0017382 0.0000000 0.0000000 0.0000000 3.7413866 5 Y 3.7101350 0.2004499 0.0000000 0.3442783 4.0017382 0.0000000 0.0000000 0.0000000 3.7413866 6 Y 3.7101350 0.2004499 0.0000000 0.3442783 4.0017382 0.0000000 0.0000000 0.0000000 3.7413866 7 Sb 4.9255368 0.0000000 0.0000000 0.0000000 4.7254199 -0.3305057 0.0000000 -0.7516112 4.7098501 8 Sb 4.9255368 0.0000000 0.0000000 0.0000000 4.7254199 0.3305057 0.0000000 0.7516112 4.7098501 9 O -2.7299875 0.0000000 0.0000000 0.0000000 -2.7255514 0.0000000 0.0000000 0.0000000 -2.4327981 10 O -2.7299875 0.0000000 0.0000000 0.0000000 -2.7255514 0.0000000 0.0000000 0.0000000 -2.4327981 11 O -2.8082195 0.0000000 0.0000000 0.0000000 -2.4174903 0.0000000 0.0000000 0.0000000 -2.5470053 12 O -2.8082195 0.0000000 0.0000000 0.0000000 -2.4174903 0.0000000 0.0000000 0.0000000 -2.5470053 13 O -1.7025501 0.0000000 0.0000000 0.0000000 -2.0561041 0.0000000 0.0000000 0.0000000 -2.9062108 14 O -1.7025501 0.0000000 0.0000000 0.0000000 -2.0561041 0.0000000 0.0000000 0.0000000 -2.9062108 15 O -2.2033382 -0.3839904 -0.1037815 -0.3541740 -2.3093943 -0.1436722 -0.1736120 -0.2241201 -2.1587208 16 O -2.2033382 -0.3839904 0.1037815 -0.3541740 -2.3093943 0.1436722 0.1736120 0.2241201 -2.1587208 17 O -2.2033382 0.3839904 -0.1037815 0.3541740 -2.3093943 0.1436722 -0.1736120 0.2241201 -2.1587208 18 O -2.2033382 0.3839904 0.1037815 0.3541740 -2.3093943 -0.1436722 0.1736120 -0.2241201 -2.1587208 19 O -2.2033382 -0.3839904 -0.1037815 -0.3541740 -2.3093943 -0.1436722 -0.1736120 -0.2241201 -2.1587208 20 O -2.2033382 -0.3839904 0.1037815 -0.3541740 -2.3093943 0.1436722 0.1736120 0.2241201 -2.1587208 21 O -2.2033382 0.3839904 -0.1037815 0.3541740 -2.3093943 0.1436722 -0.1736120 0.2241201 -2.1587208 22 O -2.2033382 0.3839904 0.1037815 0.3541740 -2.3093943 -0.1436722 0.1736120 -0.2241201 -2.1587208 ---------------------------------------------------------------------------- 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[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, 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[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 45, 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: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:46:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:46:52]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.692843660000000 -5.227467925000001 0.000000000000000 b 3.692843660000000 5.227467925000001 0.000000000000000 c 0.000000000000000 0.000000000000000 7.445308910000001 Atomic positions (fractional): 1 Y 0.50000000000000 0.50000000000000 0.00000000000000 88.906 2 Y 0.50000000000000 0.50000000000000 0.50000000000000 88.906 3 Y 0.99990930598248 0.46827930057030 0.75000000000000 88.906 4 Y 0.00009069401752 0.53172069942970 0.25000000000000 88.906 5 Y 0.53172069942970 0.00009069401752 0.75000000000000 88.906 6 Y 0.46827930057030 0.99990930598248 0.25000000000000 88.906 7 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 8 Sb 0.00000000000000 0.00000000000000 0.50000000000000 121.760 9 O 0.63706958030098 0.36293041969902 0.75000000000000 15.999 10 O 0.36293041969902 0.63706958030098 0.25000000000000 15.999 11 O 0.37017459372187 0.62982540627813 0.75000000000000 15.999 12 O 0.62982540627813 0.37017459372187 0.25000000000000 15.999 13 O 0.92897874882885 0.07102125117115 0.75000000000000 15.999 14 O 0.07102125117115 0.92897874882885 0.25000000000000 15.999 15 O 0.07348053770493 0.32362747006172 0.02987045055273 15.999 16 O 0.92651946229507 0.67637252993828 0.52987045055273 15.999 17 O 0.67637252993828 0.92651946229507 0.47012954944726 15.999 18 O 0.32362747006172 0.07348053770493 0.97012954944727 15.999 19 O 0.92651946229507 0.67637252993828 0.97012954944727 15.999 20 O 0.07348053770493 0.32362747006172 0.47012954944726 15.999 21 O 0.32362747006172 0.07348053770493 0.52987045055273 15.999 22 O 0.67637252993828 0.92651946229507 0.02987045055273 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.771374639999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.454935850000002 0.000000000000000 c 0.000000000000000 0.000000000000000 7.445308910000001 Atomic positions (fractional): 1 Y 0.25000000000000 0.00000000000000 0.00000000000000 88.906 > 1 2 Y 0.75000000000000 0.00000000000000 0.00000000000000 88.906 > 1 3 Y 0.25000000000000 0.00000000000000 0.50000000000000 88.906 > 3 4 Y 0.75000000000000 0.00000000000000 0.50000000000000 88.906 > 3 5 Y 0.36704715163819 0.73418499729391 0.75000000000000 88.906 > 5 6 Y 0.86704715163819 0.73418499729391 0.75000000000000 88.906 > 5 7 Y 0.13295284836181 0.26581500270609 0.25000000000000 88.906 > 7 8 Y 0.63295284836181 0.26581500270609 0.25000000000000 88.906 > 7 9 Y 0.13295284836181 0.73418499729391 0.75000000000000 88.906 > 9 10 Y 0.63295284836181 0.73418499729391 0.75000000000000 88.906 > 9 11 Y 0.36704715163819 0.26581500270609 0.25000000000000 88.906 > 11 12 Y 0.86704715163819 0.26581500270609 0.25000000000000 88.906 > 11 13 Y 0.00000000000000 0.50000000000000 0.00000000000000 88.906 > 1 14 Y 0.50000000000000 0.50000000000000 0.00000000000000 88.906 > 1 15 Y 0.00000000000000 0.50000000000000 0.50000000000000 88.906 > 3 16 Y 0.50000000000000 0.50000000000000 0.50000000000000 88.906 > 3 17 Y 0.11704715163819 0.23418499729391 0.75000000000000 88.906 > 5 18 Y 0.61704715163819 0.23418499729391 0.75000000000000 88.906 > 5 19 Y 0.38295284836181 0.76581500270609 0.25000000000000 88.906 > 7 20 Y 0.88295284836181 0.76581500270609 0.25000000000000 88.906 > 7 21 Y 0.38295284836181 0.23418499729391 0.75000000000000 88.906 > 9 22 Y 0.88295284836181 0.23418499729391 0.75000000000000 88.906 > 9 23 Y 0.11704715163819 0.76581500270609 0.25000000000000 88.906 > 11 24 Y 0.61704715163819 0.76581500270609 0.25000000000000 88.906 > 11 25 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 > 25 26 Sb 0.50000000000000 0.00000000000000 0.00000000000000 121.760 > 25 27 Sb 0.00000000000000 0.00000000000000 0.50000000000000 121.760 > 27 28 Sb 0.50000000000000 0.00000000000000 0.50000000000000 121.760 > 27 29 Sb 0.25000000000000 0.50000000000000 0.00000000000000 121.760 > 25 30 Sb 0.75000000000000 0.50000000000000 0.00000000000000 121.760 > 25 31 Sb 0.25000000000000 0.50000000000000 0.50000000000000 121.760 > 27 32 Sb 0.75000000000000 0.50000000000000 0.50000000000000 121.760 > 27 33 O 0.25000000000000 0.86293041969902 0.75000000000000 15.999 > 33 34 O 0.75000000000000 0.86293041969902 0.75000000000000 15.999 > 33 35 O 0.25000000000000 0.13706958030098 0.25000000000000 15.999 > 35 36 O 0.75000000000000 0.13706958030098 0.25000000000000 15.999 > 35 37 O 0.25000000000000 0.12982540627813 0.75000000000000 15.999 > 37 38 O 0.75000000000000 0.12982540627813 0.75000000000000 15.999 > 37 39 O 0.25000000000000 0.87017459372187 0.25000000000000 15.999 > 39 40 O 0.75000000000000 0.87017459372187 0.25000000000000 15.999 > 39 41 O 0.25000000000000 0.57102125117115 0.75000000000000 15.999 > 41 42 O 0.75000000000000 0.57102125117115 0.75000000000000 15.999 > 41 43 O 0.25000000000000 0.42897874882885 0.25000000000000 15.999 > 43 44 O 0.75000000000000 0.42897874882885 0.25000000000000 15.999 > 43 45 O 0.09927700194166 0.12507346617840 0.02987045055273 15.999 > 45 46 O 0.59927700194166 0.12507346617840 0.02987045055273 15.999 > 45 47 O 0.40072299805834 0.87492653382160 0.52987045055273 15.999 > 47 48 O 0.90072299805834 0.87492653382160 0.52987045055273 15.999 > 47 49 O 0.40072299805834 0.12507346617840 0.47012954944726 15.999 > 49 50 O 0.90072299805834 0.12507346617840 0.47012954944726 15.999 > 49 51 O 0.09927700194166 0.87492653382160 0.97012954944727 15.999 > 51 52 O 0.59927700194166 0.87492653382160 0.97012954944727 15.999 > 51 53 O 0.40072299805834 0.87492653382160 0.97012954944727 15.999 > 53 54 O 0.90072299805834 0.87492653382160 0.97012954944727 15.999 > 53 55 O 0.09927700194166 0.12507346617840 0.47012954944726 15.999 > 55 56 O 0.59927700194166 0.12507346617840 0.47012954944726 15.999 > 55 57 O 0.09927700194166 0.87492653382160 0.52987045055273 15.999 > 57 58 O 0.59927700194166 0.87492653382160 0.52987045055273 15.999 > 57 59 O 0.40072299805834 0.12507346617840 0.02987045055273 15.999 > 59 60 O 0.90072299805834 0.12507346617840 0.02987045055273 15.999 > 59 61 O 0.00000000000000 0.36293041969902 0.75000000000000 15.999 > 33 62 O 0.50000000000000 0.36293041969902 0.75000000000000 15.999 > 33 63 O 0.00000000000000 0.63706958030098 0.25000000000000 15.999 > 35 64 O 0.50000000000000 0.63706958030098 0.25000000000000 15.999 > 35 65 O 0.00000000000000 0.62982540627813 0.75000000000000 15.999 > 37 66 O 0.50000000000000 0.62982540627813 0.75000000000000 15.999 > 37 67 O 0.00000000000000 0.37017459372187 0.25000000000000 15.999 > 39 68 O 0.50000000000000 0.37017459372187 0.25000000000000 15.999 > 39 69 O 0.00000000000000 0.07102125117115 0.75000000000000 15.999 > 41 70 O 0.50000000000000 0.07102125117115 0.75000000000000 15.999 > 41 71 O 0.00000000000000 0.92897874882885 0.25000000000000 15.999 > 43 72 O 0.50000000000000 0.92897874882885 0.25000000000000 15.999 > 43 73 O 0.34927700194166 0.62507346617840 0.02987045055273 15.999 > 45 74 O 0.84927700194166 0.62507346617840 0.02987045055273 15.999 > 45 75 O 0.15072299805834 0.37492653382160 0.52987045055273 15.999 > 47 76 O 0.65072299805834 0.37492653382160 0.52987045055273 15.999 > 47 77 O 0.15072299805834 0.62507346617840 0.47012954944726 15.999 > 49 78 O 0.65072299805834 0.62507346617840 0.47012954944726 15.999 > 49 79 O 0.34927700194166 0.37492653382160 0.97012954944727 15.999 > 51 80 O 0.84927700194166 0.37492653382160 0.97012954944727 15.999 > 51 81 O 0.15072299805834 0.37492653382160 0.97012954944727 15.999 > 53 82 O 0.65072299805834 0.37492653382160 0.97012954944727 15.999 > 53 83 O 0.34927700194166 0.62507346617840 0.47012954944726 15.999 > 55 84 O 0.84927700194166 0.62507346617840 0.47012954944726 15.999 > 55 85 O 0.34927700194166 0.37492653382160 0.52987045055273 15.999 > 57 86 O 0.84927700194166 0.37492653382160 0.52987045055273 15.999 > 57 87 O 0.15072299805834 0.62507346617840 0.02987045055273 15.999 > 59 88 O 0.65072299805834 0.62507346617840 0.02987045055273 15.999 > 59 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.2965807 0.0000000 0.0000000 0.0000000 4.3056903 0.0000000 0.0000000 0.0000000 4.2739661 -------------------------- Born effective charges -------------------------- 1 Y 3.7083030 0.0000000 0.0000000 0.0000000 3.7078265 0.1511686 0.0000000 0.0545471 4.3282740 2 Y 3.7083030 0.0000000 0.0000000 0.0000000 3.7078265 -0.1511686 0.0000000 -0.0545471 4.3282740 3 Y 3.7101350 -0.2004499 0.0000000 -0.3442783 4.0017382 0.0000000 0.0000000 0.0000000 3.7413866 4 Y 3.7101350 -0.2004499 0.0000000 -0.3442783 4.0017382 0.0000000 0.0000000 0.0000000 3.7413866 5 Y 3.7101350 0.2004499 0.0000000 0.3442783 4.0017382 0.0000000 0.0000000 0.0000000 3.7413866 6 Y 3.7101350 0.2004499 0.0000000 0.3442783 4.0017382 0.0000000 0.0000000 0.0000000 3.7413866 7 Sb 4.9255368 0.0000000 0.0000000 0.0000000 4.7254199 -0.3305057 0.0000000 -0.7516112 4.7098501 8 Sb 4.9255368 0.0000000 0.0000000 0.0000000 4.7254199 0.3305057 0.0000000 0.7516112 4.7098501 9 O -2.7299875 0.0000000 0.0000000 0.0000000 -2.7255514 0.0000000 0.0000000 0.0000000 -2.4327981 10 O -2.7299875 0.0000000 0.0000000 0.0000000 -2.7255514 0.0000000 0.0000000 0.0000000 -2.4327981 11 O -2.8082195 0.0000000 0.0000000 0.0000000 -2.4174903 0.0000000 0.0000000 0.0000000 -2.5470053 12 O -2.8082195 0.0000000 0.0000000 0.0000000 -2.4174903 0.0000000 0.0000000 0.0000000 -2.5470053 13 O -1.7025501 0.0000000 0.0000000 0.0000000 -2.0561041 0.0000000 0.0000000 0.0000000 -2.9062108 14 O -1.7025501 0.0000000 0.0000000 0.0000000 -2.0561041 0.0000000 0.0000000 0.0000000 -2.9062108 15 O -2.2033382 -0.3839904 -0.1037815 -0.3541740 -2.3093943 -0.1436722 -0.1736120 -0.2241201 -2.1587208 16 O -2.2033382 -0.3839904 0.1037815 -0.3541740 -2.3093943 0.1436722 0.1736120 0.2241201 -2.1587208 17 O -2.2033382 0.3839904 -0.1037815 0.3541740 -2.3093943 0.1436722 -0.1736120 0.2241201 -2.1587208 18 O -2.2033382 0.3839904 0.1037815 0.3541740 -2.3093943 -0.1436722 0.1736120 -0.2241201 -2.1587208 19 O -2.2033382 -0.3839904 -0.1037815 -0.3541740 -2.3093943 -0.1436722 -0.1736120 -0.2241201 -2.1587208 20 O -2.2033382 -0.3839904 0.1037815 -0.3541740 -2.3093943 0.1436722 0.1736120 0.2241201 -2.1587208 21 O -2.2033382 0.3839904 -0.1037815 0.3541740 -2.3093943 0.1436722 -0.1736120 0.2241201 -2.1587208 22 O -2.2033382 0.3839904 0.1037815 0.3541740 -2.3093943 -0.1436722 0.1736120 -0.2241201 -2.1587208 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.63, Number of G-points: 287, Lambda: 0.14 Running 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): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.590 ( 0.000 0.000 0.000) 0.000 1.828 ( 0.000 0.000 0.000) 0.000 3.143 ( 0.000 0.000 0.000) 0.000 3.379 ( 0.000 0.000 0.000) 0.000 3.486 ( 0.000 0.000 0.000) 0.000 4.099 ( 0.000 0.000 0.000) 0.000 4.452 ( 0.000 0.000 0.000) 0.000 4.535 ( 0.000 0.000 0.000) 0.000 4.592 ( 0.000 0.000 0.000) 0.000 4.766 ( 0.000 0.000 0.000) 0.000 4.789 ( 0.000 0.000 0.000) 0.000 4.945 ( 0.000 0.000 0.000) 0.000 5.167 ( 0.000 0.000 0.000) 0.000 5.247 ( 0.000 0.000 0.000) 0.000 5.837 ( 0.000 0.000 0.000) 0.000 5.869 ( 0.000 0.000 0.000) 0.000 6.135 ( 0.000 0.000 0.000) 0.000 6.577 ( 0.000 0.000 0.000) 0.000 6.614 ( 0.000 0.000 0.000) 0.000 6.761 ( 0.000 0.000 0.000) 0.000 7.025 ( 0.000 0.000 0.000) 0.000 7.109 ( 0.000 0.000 0.000) 0.000 7.241 ( 0.000 0.000 0.000) 0.000 7.638 ( 0.000 0.000 0.000) 0.000 8.083 ( 0.000 0.000 0.000) 0.000 8.148 ( 0.000 0.000 0.000) 0.000 8.609 ( 0.000 0.000 0.000) 0.000 9.165 ( 0.000 0.000 0.000) 0.000 9.256 ( 0.000 0.000 0.000) 0.000 9.256 ( 0.000 0.000 0.000) 0.000 9.515 ( 0.000 0.000 0.000) 0.000 9.808 ( 0.000 0.000 0.000) 0.000 10.054 ( 0.000 0.000 0.000) 0.000 10.112 ( 0.000 0.000 0.000) 0.000 10.286 ( 0.000 0.000 0.000) 0.000 10.353 ( 0.000 0.000 0.000) 0.000 10.795 ( 0.000 0.000 0.000) 0.000 10.994 ( 0.000 0.000 0.000) 0.000 11.082 ( 0.000 0.000 0.000) 0.000 11.100 ( 0.000 0.000 0.000) 0.000 11.130 ( 0.000 0.000 0.000) 0.000 11.373 ( 0.000 0.000 0.000) 0.000 11.916 ( 0.000 0.000 0.000) 0.000 12.952 ( 0.000 0.000 0.000) 0.000 13.310 ( 0.000 0.000 0.000) 0.000 13.480 ( 0.000 0.000 0.000) 0.000 13.766 ( 0.000 0.000 0.000) 0.000 13.966 ( 0.000 0.000 0.000) 0.000 14.060 ( 0.000 0.000 0.000) 0.000 14.742 ( 0.000 0.000 0.000) 0.000 15.058 ( 0.000 0.000 0.000) 0.000 15.590 ( 0.000 0.000 0.000) 0.000 15.722 ( 0.000 0.000 0.000) 0.000 17.918 ( 0.000 0.000 0.000) 0.000 18.420 ( 0.000 0.000 0.000) 0.000 19.046 ( 0.000 0.000 0.000) 0.000 19.164 ( 0.000 0.000 0.000) 0.000 19.485 ( 0.000 0.000 0.000) 0.000 19.973 ( 0.000 0.000 0.000) 0.000 20.214 ( 0.000 0.000 0.000) 0.000 21.403 ( 0.000 0.000 0.000) 0.000 22.142 ( 0.000 0.000 0.000) 0.000 23.470 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/84) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( 30.147 -19.870 0.000) 36.107 0.845 ( 31.782 -23.688 0.000) 39.639 1.420 ( 52.042 -42.268 0.000) 67.044 1.741 ( 16.076 -0.420 0.000) 16.081 2.555 ( 24.770 34.102 0.000) 42.148 3.106 ( -5.276 -0.327 0.000) 5.286 3.377 ( -16.406 -13.239 0.000) 21.081 3.469 ( -2.961 -0.636 0.000) 3.029 4.054 ( -32.581 -3.432 0.000) 32.761 4.126 ( 5.332 4.269 0.000) 6.830 4.563 ( 7.142 11.738 0.000) 13.740 4.610 ( -0.490 0.595 0.000) 0.771 4.810 ( -6.120 2.261 0.000) 6.524 4.838 ( -2.340 -0.047 0.000) 2.341 4.961 ( 6.904 7.147 0.000) 9.937 5.138 ( -0.698 3.661 0.000) 3.727 5.184 ( -0.043 9.247 0.000) 9.247 5.737 ( -12.952 -12.939 0.000) 18.308 6.120 ( 20.213 18.801 0.000) 27.605 6.515 ( 0.782 16.025 0.000) 16.044 6.532 ( 3.026 12.693 0.000) 13.048 6.691 ( 9.833 9.906 0.000) 13.958 6.880 ( 3.791 2.021 0.000) 4.296 7.088 ( -9.047 -10.047 0.000) 13.520 7.376 ( 10.686 -25.060 0.000) 27.243 7.391 ( 9.856 -4.276 0.000) 10.743 7.624 ( -1.445 1.365 0.000) 1.988 8.178 ( 1.375 -3.050 0.000) 3.346 8.242 ( -4.715 -10.642 0.000) 11.640 8.659 ( 4.721 -1.194 0.000) 4.870 9.097 ( -5.778 1.900 0.000) 6.082 9.157 ( -4.702 9.012 0.000) 10.165 9.351 ( -8.230 0.167 0.000) 8.232 9.731 ( -30.037 -38.978 0.000) 49.208 9.873 ( 5.939 -0.878 0.000) 6.004 10.007 ( -5.581 8.644 0.000) 10.289 10.072 ( -6.130 -14.423 0.000) 15.671 10.287 ( -6.328 1.053 0.000) 6.415 10.685 ( 6.401 -3.756 0.000) 7.421 10.794 ( -1.127 -1.713 0.000) 2.050 10.936 ( -4.543 -0.010 0.000) 4.543 11.095 ( -3.262 -6.568 0.000) 7.333 11.123 ( -0.495 0.548 0.000) 0.739 11.161 ( 4.924 0.745 0.000) 4.980 11.916 ( 0.213 0.364 0.000) 0.421 12.679 ( 21.990 32.164 0.000) 38.962 13.190 ( -9.569 2.511 0.000) 9.893 13.389 ( -2.848 2.533 0.000) 3.812 13.689 ( -10.722 -6.411 0.000) 12.492 13.825 ( 4.146 -3.277 0.000) 5.285 13.854 ( -10.501 0.412 0.000) 10.509 14.691 ( 15.264 15.216 0.000) 21.553 14.855 ( 4.975 -4.444 0.000) 6.671 15.255 ( -7.785 -10.561 0.000) 13.121 15.822 ( 4.685 -8.358 0.000) 9.581 16.816 ( 20.334 35.312 0.000) 40.748 17.893 ( -4.125 -1.545 0.000) 4.405 18.364 ( 3.037 12.827 0.000) 13.181 18.945 ( -9.301 -2.050 0.000) 9.525 19.477 ( -22.425 -32.982 0.000) 39.884 19.649 ( 9.667 -7.243 0.000) 12.080 20.166 ( 1.245 9.647 0.000) 9.727 21.413 ( -0.198 -2.333 0.000) 2.341 21.493 ( 5.267 1.126 0.000) 5.386 22.150 ( 0.436 -0.571 0.000) 0.719 23.455 ( -0.940 1.125 0.000) 1.466 ======================= Grid point 2 (3/84) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( 26.122 -13.915 0.000) 29.597 1.617 ( 26.676 -21.670 0.000) 34.368 2.070 ( 19.851 -0.132 0.000) 19.851 2.548 ( 7.477 4.106 0.000) 8.530 2.738 ( 41.282 -31.675 0.000) 52.034 2.908 ( -22.986 -3.112 0.000) 23.196 3.325 ( -6.297 -17.507 0.000) 18.605 3.335 ( -11.368 4.079 0.000) 12.078 3.685 ( -13.643 -9.310 0.000) 16.517 4.140 ( 6.164 10.596 0.000) 12.259 4.515 ( -15.262 6.724 0.000) 16.678 4.566 ( 5.040 7.351 0.000) 8.913 4.573 ( -1.598 0.850 0.000) 1.811 4.832 ( -6.229 12.243 0.000) 13.736 4.840 ( -4.635 -1.914 0.000) 5.014 5.064 ( -0.718 5.824 0.000) 5.869 5.100 ( 6.971 10.642 0.000) 12.722 5.771 ( -3.865 -9.321 0.000) 10.091 6.231 ( 15.442 14.529 0.000) 21.203 6.319 ( 0.737 14.338 0.000) 14.357 6.487 ( 9.467 12.275 0.000) 15.502 6.754 ( 6.330 5.587 0.000) 8.442 6.902 ( -7.100 -7.967 0.000) 10.672 7.102 ( -4.447 -11.844 0.000) 12.652 7.537 ( 0.191 1.517 0.000) 1.529 7.606 ( 3.933 -2.112 0.000) 4.464 7.843 ( 10.594 -20.154 0.000) 22.769 8.264 ( -3.859 -4.025 0.000) 5.576 8.270 ( 2.719 -6.842 0.000) 7.363 8.770 ( 7.034 2.514 0.000) 7.470 8.952 ( -4.442 7.040 0.000) 8.324 8.963 ( -6.712 1.259 0.000) 6.829 9.161 ( -7.358 7.340 0.000) 10.393 9.674 ( -20.015 -22.199 0.000) 29.890 9.728 ( -8.454 15.096 0.000) 17.302 10.013 ( 7.311 -1.059 0.000) 7.388 10.154 ( -7.320 0.234 0.000) 7.324 10.224 ( 1.377 -15.781 0.000) 15.841 10.803 ( -0.082 -1.637 0.000) 1.639 10.832 ( 8.256 2.479 0.000) 8.621 10.862 ( -4.229 -0.122 0.000) 4.231 11.087 ( -3.143 0.414 0.000) 3.171 11.143 ( -3.340 -12.779 0.000) 13.208 11.227 ( 4.417 1.521 0.000) 4.672 11.911 ( 2.459 4.351 0.000) 4.998 12.670 ( 10.748 15.507 0.000) 18.868 12.999 ( -6.958 4.273 0.000) 8.165 13.249 ( -10.003 3.842 0.000) 10.716 13.472 ( -11.698 5.616 0.000) 12.976 13.692 ( -7.957 0.624 0.000) 7.982 13.959 ( 5.447 -4.233 0.000) 6.899 14.816 ( 10.428 3.385 0.000) 10.964 14.996 ( 5.187 -5.319 0.000) 7.429 15.255 ( -0.819 -1.416 0.000) 1.635 16.033 ( 6.861 -9.024 0.000) 11.337 16.710 ( 5.214 18.101 0.000) 18.838 17.816 ( -6.230 -0.592 0.000) 6.258 18.255 ( 4.062 13.961 0.000) 14.540 18.840 ( -7.032 -3.619 0.000) 7.908 19.499 ( -12.025 -19.442 0.000) 22.860 19.894 ( 8.150 -6.880 0.000) 10.665 20.037 ( 1.939 15.706 0.000) 15.825 21.449 ( 0.609 -2.837 0.000) 2.901 21.582 ( 3.754 -2.544 0.000) 4.535 22.169 ( 0.681 -0.898 0.000) 1.127 23.417 ( -1.362 1.638 0.000) 2.130 ======================= Grid point 3 (4/84) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( 14.551 -1.780 0.000) 14.660 2.186 ( 2.185 -15.947 0.000) 16.096 2.348 ( 15.301 -2.604 0.000) 15.521 2.536 ( -13.305 -2.690 0.000) 13.574 2.586 ( -0.857 -8.438 0.000) 8.481 3.095 ( -9.293 6.767 0.000) 11.496 3.321 ( 5.474 -9.576 0.000) 11.031 3.733 ( 3.354 -8.552 0.000) 9.186 3.912 ( 18.831 -28.817 0.000) 34.424 4.116 ( 14.179 9.511 0.000) 17.074 4.193 ( -14.087 4.050 0.000) 14.657 4.511 ( -6.080 -0.663 0.000) 6.116 4.542 ( -0.403 2.538 0.000) 2.570 4.587 ( -1.533 13.292 0.000) 13.381 4.735 ( -6.765 0.192 0.000) 6.768 4.997 ( -0.242 3.694 0.000) 3.702 5.203 ( 14.481 4.722 0.000) 15.232 5.702 ( -6.488 5.082 0.000) 8.242 6.136 ( 0.414 11.011 0.000) 11.019 6.283 ( -2.483 7.914 0.000) 8.295 6.534 ( 9.223 7.587 0.000) 11.943 6.751 ( -0.246 3.086 0.000) 3.096 6.914 ( -3.727 -13.149 0.000) 13.667 7.140 ( -1.888 -1.295 0.000) 2.290 7.516 ( -1.218 -2.302 0.000) 2.605 7.720 ( 5.718 -3.619 0.000) 6.768 8.155 ( 5.366 -8.138 0.000) 9.748 8.193 ( -5.594 2.327 0.000) 6.058 8.444 ( 4.032 -11.388 0.000) 12.080 8.752 ( 3.062 7.640 0.000) 8.230 8.872 ( -3.722 -2.466 0.000) 4.464 8.935 ( -4.678 -0.408 0.000) 4.695 8.983 ( 1.841 4.153 0.000) 4.543 9.391 ( -7.554 16.769 0.000) 18.392 9.602 ( -11.536 -11.288 0.000) 16.140 10.046 ( -4.068 -0.320 0.000) 4.080 10.143 ( 4.987 -0.804 0.000) 5.051 10.409 ( 1.211 -8.295 0.000) 8.383 10.798 ( -2.715 0.336 0.000) 2.736 10.836 ( 1.845 -1.119 0.000) 2.158 10.893 ( 2.768 0.885 0.000) 2.906 11.011 ( -4.870 0.465 0.000) 4.892 11.272 ( 2.585 0.941 0.000) 2.750 11.300 ( 0.102 -15.051 0.000) 15.051 11.907 ( 6.668 8.259 0.000) 10.615 12.670 ( 4.811 6.703 0.000) 8.250 12.849 ( -6.465 5.380 0.000) 8.411 13.011 ( -8.045 2.520 0.000) 8.430 13.239 ( -8.094 4.961 0.000) 9.493 13.579 ( -4.634 -0.189 0.000) 4.638 14.083 ( 3.617 -2.768 0.000) 4.555 14.921 ( 4.577 0.657 0.000) 4.624 15.140 ( 5.200 -1.756 0.000) 5.489 15.262 ( -0.330 -1.998 0.000) 2.025 16.239 ( 6.579 -5.285 0.000) 8.439 16.576 ( -1.076 9.204 0.000) 9.266 17.719 ( -4.189 0.816 0.000) 4.268 18.184 ( 2.551 7.199 0.000) 7.637 18.787 ( -3.457 -2.095 0.000) 4.042 19.534 ( -7.722 -14.154 0.000) 16.123 19.881 ( 2.500 15.158 0.000) 15.363 20.067 ( 4.330 -3.849 0.000) 5.793 21.490 ( 0.686 -1.744 0.000) 1.874 21.664 ( 2.134 -2.219 0.000) 3.079 22.190 ( 0.531 -0.705 0.000) 0.882 23.378 ( -0.990 1.197 0.000) 1.553 ======================= Grid point 4 (5/84) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( -0.000 -0.000 0.000) 0.000 2.125 ( 0.000 0.000 0.000) 0.000 2.522 ( 0.000 -0.000 0.000) 0.000 2.661 ( -0.000 0.000 0.000) 0.000 2.667 ( 0.000 -0.000 0.000) 0.000 2.886 ( 0.000 -0.000 0.000) 0.000 3.434 ( 0.000 -0.000 0.000) 0.000 3.895 ( -0.000 -0.000 0.000) 0.000 3.986 ( 0.000 -0.000 0.000) 0.000 4.001 ( 0.000 0.000 0.000) 0.000 4.427 ( 0.000 -0.000 0.000) 0.000 4.451 ( 0.000 0.000 0.000) 0.000 4.501 ( 0.000 -0.000 0.000) 0.000 4.560 ( 0.000 -0.000 0.000) 0.000 4.678 ( 0.000 -0.000 0.000) 0.000 4.971 ( 0.000 -0.000 0.000) 0.000 5.361 ( 0.000 -0.000 0.000) 0.000 5.546 ( 0.000 -0.000 0.000) 0.000 6.068 ( -0.000 -0.000 0.000) 0.000 6.129 ( 0.000 -0.000 0.000) 0.000 6.581 ( 0.000 0.000 0.000) 0.000 6.714 ( 0.000 -0.000 0.000) 0.000 7.008 ( 0.000 -0.000 0.000) 0.000 7.102 ( 0.000 -0.000 0.000) 0.000 7.523 ( 0.000 -0.000 0.000) 0.000 7.849 ( 0.000 -0.000 0.000) 0.000 8.081 ( 0.000 -0.000 0.000) 0.000 8.243 ( 0.000 -0.000 0.000) 0.000 8.565 ( 0.000 -0.000 0.000) 0.000 8.763 ( 0.000 -0.000 0.000) 0.000 8.821 ( 0.000 0.000 0.000) 0.000 8.901 ( 0.000 -0.000 0.000) 0.000 9.023 ( 0.000 -0.000 0.000) 0.000 9.167 ( 0.000 -0.000 0.000) 0.000 9.569 ( -0.000 -0.000 0.000) 0.000 10.013 ( 0.000 -0.000 0.000) 0.000 10.195 ( 0.000 -0.000 0.000) 0.000 10.458 ( 0.000 -0.000 0.000) 0.000 10.770 ( 0.000 -0.000 0.000) 0.000 10.879 ( 0.000 -0.000 0.000) 0.000 10.918 ( 0.000 -0.000 0.000) 0.000 10.944 ( 0.000 -0.000 0.000) 0.000 11.289 ( 0.000 -0.000 0.000) 0.000 11.407 ( 0.000 -0.000 0.000) 0.000 11.930 ( 0.000 -0.000 0.000) 0.000 12.689 ( -0.000 -0.000 0.000) 0.000 12.689 ( 0.000 0.000 0.000) 0.000 12.965 ( -0.000 -0.000 0.000) 0.000 13.121 ( 0.000 -0.000 0.000) 0.000 13.542 ( 0.000 0.000 0.000) 0.000 14.132 ( 0.000 -0.000 0.000) 0.000 14.955 ( 0.000 -0.000 0.000) 0.000 15.187 ( 0.000 -0.000 0.000) 0.000 15.284 ( 0.000 -0.000 0.000) 0.000 16.347 ( 0.000 -0.000 0.000) 0.000 16.490 ( 0.000 -0.000 0.000) 0.000 17.676 ( 0.000 -0.000 0.000) 0.000 18.164 ( 0.000 -0.000 0.000) 0.000 18.771 ( -0.000 -0.000 0.000) 0.000 19.560 ( 0.000 0.000 0.000) 0.000 19.801 ( 0.000 -0.000 0.000) 0.000 20.127 ( 0.000 -0.000 0.000) 0.000 21.507 ( 0.000 -0.000 0.000) 0.000 21.697 ( 0.000 -0.000 0.000) 0.000 22.199 ( 0.000 -0.000 0.000) 0.000 23.361 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 10 (6/84) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 37.707 0.000 0.000) 37.707 1.327 ( 34.814 0.000 0.000) 34.814 2.069 ( 20.994 0.000 0.000) 20.994 2.189 ( 57.262 0.000 0.000) 57.262 2.861 ( -26.127 -0.000 0.000) 26.127 2.920 ( 3.062 0.000 0.000) 3.062 2.983 ( -14.834 -0.000 0.000) 14.834 3.407 ( -4.314 -0.000 0.000) 4.314 3.538 ( -18.314 -0.000 0.000) 18.314 4.256 ( 6.095 0.000 0.000) 6.095 4.554 ( -5.347 -0.000 0.000) 5.347 4.593 ( -5.494 -0.000 0.000) 5.494 4.633 ( -13.886 -0.000 0.000) 13.886 4.809 ( -2.934 -0.000 0.000) 2.934 5.138 ( -1.814 -0.000 0.000) 1.814 5.219 ( -1.252 -0.000 0.000) 1.252 5.319 ( 18.208 0.000 0.000) 18.208 5.378 ( -12.838 -0.000 0.000) 12.838 6.437 ( 6.765 0.000 0.000) 6.765 6.671 ( 5.661 0.000 0.000) 5.661 6.731 ( 9.596 0.000 0.000) 9.596 6.767 ( -15.997 -0.000 0.000) 15.997 6.897 ( 3.057 0.000 0.000) 3.057 6.899 ( -9.552 -0.000 0.000) 9.552 7.437 ( 7.492 0.000 0.000) 7.492 7.483 ( 19.180 0.000 0.000) 19.180 7.597 ( -2.488 -0.000 0.000) 2.488 8.176 ( 3.040 0.000 0.000) 3.040 8.197 ( 2.944 0.000 0.000) 2.944 8.759 ( 7.600 0.000 0.000) 7.600 8.978 ( -8.550 -0.000 0.000) 8.550 9.090 ( -9.089 -0.000 0.000) 9.089 9.166 ( -19.073 -0.000 0.000) 19.073 9.442 ( 11.718 0.000 0.000) 11.718 9.927 ( -9.217 -0.000 0.000) 9.217 9.939 ( 1.702 0.000 0.000) 1.702 9.997 ( 8.100 0.000 0.000) 8.100 10.150 ( -8.868 -0.000 0.000) 8.868 10.781 ( 0.876 0.000 0.000) 0.876 10.859 ( -4.292 -0.000 0.000) 4.292 10.862 ( 9.979 0.000 0.000) 9.979 10.987 ( -4.393 -0.000 0.000) 4.393 11.093 ( -3.281 -0.000 0.000) 3.281 11.253 ( 4.534 0.000 0.000) 4.534 11.951 ( 4.142 0.000 0.000) 4.142 12.990 ( 1.356 0.000 0.000) 1.356 13.008 ( -9.821 -0.000 0.000) 9.821 13.309 ( -10.625 -0.000 0.000) 10.625 13.537 ( -5.892 -0.000 0.000) 5.892 13.632 ( -12.638 -0.000 0.000) 12.638 13.900 ( 6.473 0.000 0.000) 6.473 14.875 ( 0.791 0.000 0.000) 0.791 14.925 ( 8.345 0.000 0.000) 8.345 15.313 ( 9.662 0.000 0.000) 9.662 15.852 ( 5.934 0.000 0.000) 5.934 17.060 ( -7.222 -0.000 0.000) 7.222 17.793 ( -6.586 -0.000 0.000) 6.586 18.516 ( 4.660 0.000 0.000) 4.660 18.733 ( -11.304 -0.000 0.000) 11.304 19.010 ( -7.191 -0.000 0.000) 7.191 19.800 ( 11.429 0.000 0.000) 11.429 20.423 ( 10.146 0.000 0.000) 10.146 21.378 ( -1.045 -0.000 0.000) 1.045 21.535 ( 2.167 0.000 0.000) 2.167 22.157 ( 0.843 0.000 0.000) 0.843 23.437 ( -1.787 -0.000 0.000) 1.787 ======================= Grid point 11 (7/84) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( 13.393 -8.823 0.000) 16.038 1.919 ( 33.858 -0.653 0.000) 33.864 2.370 ( 10.723 2.077 0.000) 10.922 2.453 ( -8.286 -3.486 0.000) 8.989 2.641 ( -3.356 12.312 0.000) 12.761 2.989 ( 9.164 -15.587 0.000) 18.081 3.264 ( -5.167 7.559 0.000) 9.157 3.327 ( 36.721 -14.567 0.000) 39.505 3.496 ( 1.519 -9.816 0.000) 9.933 4.301 ( 1.752 3.655 0.000) 4.053 4.343 ( -12.981 6.978 0.000) 14.737 4.446 ( -12.423 -2.039 0.000) 12.590 4.499 ( -5.525 -5.174 0.000) 7.570 4.730 ( -6.505 0.246 0.000) 6.509 5.015 ( -3.791 17.364 0.000) 17.773 5.088 ( -1.970 2.386 0.000) 3.094 5.285 ( 2.098 -2.171 0.000) 3.019 5.662 ( 8.825 -3.063 0.000) 9.341 6.377 ( -16.445 6.993 0.000) 17.870 6.549 ( 4.511 -1.126 0.000) 4.650 6.660 ( -9.325 5.757 0.000) 10.959 6.730 ( 5.454 6.289 0.000) 8.325 6.848 ( -4.120 3.919 0.000) 5.686 7.018 ( 11.926 -7.200 0.000) 13.931 7.468 ( -6.078 -1.465 0.000) 6.252 7.653 ( 6.234 -2.536 0.000) 6.731 7.868 ( 15.041 -11.204 0.000) 18.755 8.195 ( -2.442 -0.765 0.000) 2.559 8.274 ( 4.288 -2.545 0.000) 4.986 8.806 ( -17.263 -1.094 0.000) 17.297 8.842 ( -7.198 -0.658 0.000) 7.228 8.874 ( -2.926 -3.513 0.000) 4.572 8.996 ( -4.043 -3.262 0.000) 5.195 9.604 ( 15.560 10.920 0.000) 19.009 9.715 ( -9.210 8.206 0.000) 12.335 10.017 ( -5.631 -1.430 0.000) 5.810 10.142 ( 6.803 0.199 0.000) 6.806 10.144 ( 9.921 -12.854 0.000) 16.238 10.794 ( -3.506 -0.317 0.000) 3.520 10.819 ( 3.325 -0.290 0.000) 3.337 10.876 ( -5.142 -2.026 0.000) 5.526 11.016 ( -5.503 0.056 0.000) 5.504 11.047 ( 4.737 -3.727 0.000) 6.027 11.305 ( 2.457 1.137 0.000) 2.708 12.052 ( 9.213 2.797 0.000) 9.628 12.845 ( -3.253 5.640 0.000) 6.511 12.964 ( -4.229 3.496 0.000) 5.487 13.069 ( -13.079 1.802 0.000) 13.203 13.339 ( -12.357 3.203 0.000) 12.765 13.510 ( -7.100 -4.423 0.000) 8.365 14.020 ( 5.699 -1.794 0.000) 5.975 14.915 ( 2.941 -0.582 0.000) 2.998 15.071 ( 7.030 -2.304 0.000) 7.398 15.383 ( 5.216 8.455 0.000) 9.934 16.022 ( 5.851 -9.718 0.000) 11.343 16.847 ( -8.128 9.639 0.000) 12.609 17.678 ( -7.908 -1.847 0.000) 8.121 18.447 ( -1.263 11.733 0.000) 11.801 18.682 ( -2.052 -6.923 0.000) 7.221 18.996 ( -9.732 -17.063 0.000) 19.643 19.989 ( 8.591 -2.030 0.000) 8.828 20.471 ( 11.154 20.060 0.000) 22.952 21.403 ( -0.332 -5.475 0.000) 5.486 21.586 ( 1.811 -2.502 0.000) 3.089 22.176 ( 1.048 -0.341 0.000) 1.102 23.400 ( -2.080 0.524 0.000) 2.145 ======================= Grid point 12 (8/84) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( 8.138 -7.043 0.000) 10.762 2.276 ( 12.220 17.415 0.000) 21.275 2.518 ( 0.752 -0.044 0.000) 0.754 2.601 ( 12.199 -3.748 0.000) 12.762 2.613 ( 18.316 -2.917 0.000) 18.546 3.063 ( -5.215 12.370 0.000) 13.424 3.316 ( 10.165 -12.055 0.000) 15.768 3.762 ( 13.126 -11.519 0.000) 17.464 3.848 ( -3.721 -4.324 0.000) 5.705 4.052 ( -9.665 7.116 0.000) 12.002 4.275 ( -7.776 -5.955 0.000) 9.794 4.411 ( 13.944 -6.374 0.000) 15.331 4.512 ( -1.973 -6.385 0.000) 6.683 4.587 ( -8.895 0.181 0.000) 8.897 4.788 ( -0.610 13.285 0.000) 13.299 5.029 ( -0.996 2.923 0.000) 3.088 5.374 ( -0.478 -4.726 0.000) 4.750 5.613 ( -7.415 8.079 0.000) 10.966 6.071 ( -13.072 2.944 0.000) 13.399 6.348 ( -5.258 13.567 0.000) 14.551 6.622 ( -10.524 3.250 0.000) 11.014 6.766 ( 4.451 -12.941 0.000) 13.685 6.780 ( 1.797 4.043 0.000) 4.424 7.267 ( 11.216 6.085 0.000) 12.761 7.424 ( -1.014 -7.255 0.000) 7.325 7.772 ( 4.851 -3.154 0.000) 5.786 8.107 ( -7.550 1.426 0.000) 7.684 8.188 ( 8.536 -5.986 0.000) 10.426 8.411 ( 5.368 -7.242 0.000) 9.015 8.585 ( -16.232 -11.414 0.000) 19.843 8.773 ( -3.185 -3.720 0.000) 4.897 8.780 ( -8.008 -3.793 0.000) 8.861 9.061 ( 4.762 1.737 0.000) 5.069 9.447 ( -6.747 13.065 0.000) 14.704 9.744 ( 18.534 13.389 0.000) 22.864 9.979 ( -1.530 -2.363 0.000) 2.815 10.221 ( 3.108 1.675 0.000) 3.531 10.433 ( 9.429 -3.561 0.000) 10.080 10.753 ( -1.969 -1.186 0.000) 2.299 10.856 ( -2.569 -5.898 0.000) 6.434 10.894 ( 4.472 0.929 0.000) 4.567 10.925 ( -3.940 -1.017 0.000) 4.070 11.172 ( 1.956 -9.709 0.000) 9.904 11.312 ( 0.160 1.421 0.000) 1.430 12.148 ( 7.726 9.845 0.000) 12.515 12.700 ( -13.227 2.444 0.000) 13.451 12.767 ( -0.156 4.619 0.000) 4.622 12.970 ( -3.022 0.494 0.000) 3.062 13.112 ( -9.124 -1.030 0.000) 9.182 13.484 ( -2.218 -4.046 0.000) 4.614 14.113 ( 2.604 -1.269 0.000) 2.896 14.950 ( 0.192 0.191 0.000) 0.270 15.208 ( 4.778 -2.640 0.000) 5.459 15.333 ( 1.727 7.760 0.000) 7.950 16.222 ( 2.606 -9.247 0.000) 9.607 16.600 ( -7.902 7.414 0.000) 10.835 17.586 ( -7.224 -4.963 0.000) 8.765 18.299 ( -1.563 8.365 0.000) 8.509 18.737 ( 1.458 -2.666 0.000) 3.039 19.051 ( -10.606 -20.444 0.000) 23.031 20.119 ( 4.601 -0.514 0.000) 4.630 20.382 ( 12.748 26.277 0.000) 29.206 21.466 ( 0.265 -4.199 0.000) 4.207 21.643 ( 0.258 -3.393 0.000) 3.403 22.197 ( 0.871 -0.166 0.000) 0.886 23.363 ( -1.620 0.095 0.000) 1.622 ======================= Grid point 13 (9/84) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( 0.527 16.999 0.000) 17.007 2.291 ( 3.085 0.442 0.000) 3.116 2.528 ( 9.934 -2.191 0.000) 10.173 2.764 ( -2.414 22.014 0.000) 22.146 2.841 ( 9.627 5.317 0.000) 10.998 2.931 ( 10.967 -6.372 0.000) 12.684 3.432 ( -7.201 4.514 0.000) 8.498 3.756 ( -4.128 -12.591 0.000) 13.251 3.871 ( -0.955 4.413 0.000) 4.515 4.155 ( 17.718 -3.332 0.000) 18.029 4.254 ( -5.121 -9.448 0.000) 10.746 4.443 ( -5.126 -2.508 0.000) 5.706 4.586 ( -5.354 11.291 0.000) 12.496 4.606 ( -0.449 -9.890 0.000) 9.900 4.674 ( 5.849 8.747 0.000) 10.522 4.991 ( 0.292 2.173 0.000) 2.193 5.171 ( -21.563 1.365 0.000) 21.606 5.483 ( -4.320 -2.443 0.000) 4.963 5.858 ( -10.618 -10.660 0.000) 15.045 6.317 ( 11.503 7.850 0.000) 13.926 6.405 ( -13.688 -3.285 0.000) 14.077 6.744 ( -1.768 2.575 0.000) 3.124 6.949 ( 2.476 -8.349 0.000) 8.708 7.293 ( 6.396 8.297 0.000) 10.476 7.510 ( 0.607 -1.416 0.000) 1.540 7.843 ( -6.004 4.363 0.000) 7.422 8.023 ( 3.182 -10.155 0.000) 10.642 8.280 ( 1.761 3.428 0.000) 3.854 8.505 ( -10.768 -11.533 0.000) 15.779 8.565 ( 2.244 -3.312 0.000) 4.000 8.776 ( 0.391 -6.866 0.000) 6.877 8.862 ( 3.054 -10.008 0.000) 10.463 9.070 ( 1.432 4.652 0.000) 4.868 9.210 ( -2.350 9.831 0.000) 10.108 9.912 ( 20.478 13.838 0.000) 24.715 10.013 ( 1.489 -3.037 0.000) 3.382 10.194 ( -2.391 3.395 0.000) 4.153 10.552 ( 6.051 3.511 0.000) 6.996 10.766 ( 0.798 -2.441 0.000) 2.568 10.858 ( -1.809 0.074 0.000) 1.810 10.860 ( -3.981 -2.027 0.000) 4.467 11.003 ( 6.265 0.508 0.000) 6.286 11.280 ( -1.907 1.335 0.000) 2.328 11.373 ( 5.103 -11.559 0.000) 12.635 11.969 ( -7.876 15.737 0.000) 17.598 12.552 ( -8.113 -3.358 0.000) 8.780 12.757 ( 0.444 -1.658 0.000) 1.716 12.949 ( 4.438 -2.774 0.000) 5.234 13.118 ( 2.747 -4.782 0.000) 5.515 13.519 ( -0.024 -4.603 0.000) 4.603 14.128 ( -1.076 0.897 0.000) 1.401 14.910 ( -4.276 0.750 0.000) 4.341 15.216 ( -1.346 4.738 0.000) 4.926 15.341 ( 4.871 1.573 0.000) 5.119 16.259 ( -6.661 -1.759 0.000) 6.890 16.464 ( -3.262 -1.365 0.000) 3.536 17.568 ( -4.666 -9.356 0.000) 10.455 18.193 ( -1.254 5.609 0.000) 5.748 18.798 ( 3.283 -0.912 0.000) 3.407 19.124 ( -10.795 -21.894 0.000) 24.411 20.150 ( 0.636 2.850 0.000) 2.920 20.318 ( 17.227 25.617 0.000) 30.871 21.500 ( -0.178 -1.240 0.000) 1.253 21.662 ( -2.199 -2.022 0.000) 2.987 22.205 ( 0.340 0.528 0.000) 0.628 23.349 ( -0.629 -1.096 0.000) 1.264 ======================= Grid point 14 (10/84) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( -9.762 18.038 0.000) 20.510 2.076 ( -19.165 0.366 0.000) 19.168 2.229 ( -14.534 27.008 0.000) 30.670 2.693 ( -8.778 17.644 0.000) 19.707 2.974 ( 17.668 2.365 0.000) 17.825 3.214 ( 16.423 -6.272 0.000) 17.580 3.268 ( -11.281 -4.162 0.000) 12.024 3.865 ( 0.143 -2.018 0.000) 2.024 3.893 ( 11.607 6.339 0.000) 13.225 4.001 ( -13.335 38.180 0.000) 40.442 4.296 ( -6.336 -10.095 0.000) 11.918 4.355 ( 3.698 -4.587 0.000) 5.892 4.547 ( 11.120 -1.057 0.000) 11.170 4.758 ( 3.255 -11.581 0.000) 12.030 4.773 ( 10.515 2.056 0.000) 10.714 4.836 ( -17.683 -9.310 0.000) 19.984 4.980 ( 0.227 1.263 0.000) 1.283 5.552 ( -5.841 -18.701 0.000) 19.592 5.893 ( -6.558 -15.373 0.000) 16.714 6.256 ( -11.046 -6.673 0.000) 12.905 6.336 ( 1.880 10.179 0.000) 10.351 6.658 ( -7.499 -1.769 0.000) 7.704 7.052 ( 1.367 0.985 0.000) 1.685 7.304 ( 4.729 4.456 0.000) 6.498 7.485 ( -4.846 -1.459 0.000) 5.061 7.681 ( -1.818 5.510 0.000) 5.802 8.195 ( -2.554 9.356 0.000) 9.698 8.267 ( 8.812 -6.296 0.000) 10.830 8.509 ( -3.246 -11.829 0.000) 12.266 8.530 ( -1.687 10.171 0.000) 10.310 8.865 ( -3.849 -5.530 0.000) 6.738 8.943 ( 2.184 0.727 0.000) 2.302 9.082 ( 9.445 1.863 0.000) 9.627 9.302 ( 5.936 -16.647 0.000) 17.673 10.059 ( -3.681 1.823 0.000) 4.107 10.097 ( 19.209 12.631 0.000) 22.990 10.120 ( 1.976 -1.785 0.000) 2.663 10.552 ( 2.589 9.270 0.000) 9.625 10.785 ( -4.356 0.835 0.000) 4.435 10.811 ( 0.110 -2.274 0.000) 2.276 10.867 ( 3.474 0.215 0.000) 3.480 11.087 ( 4.477 1.218 0.000) 4.640 11.220 ( -3.025 1.253 0.000) 3.274 11.497 ( 3.752 10.829 0.000) 11.461 11.735 ( -4.954 -5.330 0.000) 7.276 12.417 ( -14.354 -5.845 0.000) 15.498 12.841 ( 3.037 -8.028 0.000) 8.583 13.154 ( 10.875 -3.624 0.000) 11.463 13.286 ( 7.801 -9.152 0.000) 12.026 13.586 ( 0.130 -6.307 0.000) 6.308 14.060 ( -3.475 3.570 0.000) 4.981 14.786 ( -8.948 1.333 0.000) 9.047 15.124 ( -2.417 4.724 0.000) 5.306 15.396 ( 8.009 6.906 0.000) 10.576 16.140 ( -7.294 -0.250 0.000) 7.298 16.421 ( -8.448 -5.462 0.000) 10.060 17.658 ( -1.008 -13.644 0.000) 13.681 18.116 ( -1.777 3.085 0.000) 3.560 18.873 ( 4.582 -0.482 0.000) 4.608 19.204 ( -11.010 -22.385 0.000) 24.946 20.073 ( -2.680 7.118 0.000) 7.605 20.371 ( 23.613 23.300 0.000) 33.173 21.493 ( -0.927 0.726 0.000) 1.177 21.611 ( -5.326 -0.057 0.000) 5.327 22.196 ( -0.164 1.232 0.000) 1.243 23.367 ( 0.272 -2.292 0.000) 2.308 ======================= Grid point 15 (11/84) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( -13.693 25.594 0.000) 29.027 1.600 ( -14.190 34.674 0.000) 37.465 1.754 ( -16.229 0.498 0.000) 16.237 2.267 ( -21.932 6.662 0.000) 22.922 2.696 ( -19.619 54.472 0.000) 57.898 3.112 ( 3.743 -0.031 0.000) 3.744 3.486 ( 7.310 0.077 0.000) 7.310 3.665 ( 4.438 -3.254 0.000) 5.503 3.915 ( 0.590 2.828 0.000) 2.889 4.147 ( 23.158 2.296 0.000) 23.271 4.242 ( -10.884 -8.010 0.000) 13.514 4.483 ( -0.511 -10.649 0.000) 10.661 4.757 ( 13.787 1.641 0.000) 13.885 4.831 ( -4.005 -17.863 0.000) 18.306 4.913 ( 0.998 2.389 0.000) 2.589 4.930 ( 6.126 0.054 0.000) 6.126 4.971 ( -1.180 -8.477 0.000) 8.559 5.652 ( -8.701 -17.707 0.000) 19.729 5.997 ( -0.251 -12.795 0.000) 12.797 6.184 ( -8.140 -9.151 0.000) 12.248 6.217 ( -0.440 7.544 0.000) 7.557 6.559 ( -8.200 -5.372 0.000) 9.803 6.953 ( -6.007 4.333 0.000) 7.407 7.324 ( 1.536 5.288 0.000) 5.507 7.409 ( -5.287 -2.195 0.000) 5.725 7.629 ( 2.322 5.614 0.000) 6.076 7.961 ( -4.530 19.680 0.000) 20.195 8.347 ( -1.428 11.920 0.000) 12.005 8.378 ( 3.491 3.079 0.000) 4.655 8.664 ( -0.063 -4.410 0.000) 4.411 8.856 ( 0.319 -11.613 0.000) 11.618 9.017 ( 3.237 -4.025 0.000) 5.165 9.313 ( 13.307 -2.362 0.000) 13.515 9.632 ( 4.970 -20.006 0.000) 20.614 9.933 ( -4.668 3.654 0.000) 5.928 10.195 ( 3.856 5.343 0.000) 6.589 10.226 ( 3.721 -4.252 0.000) 5.650 10.448 ( 3.106 15.691 0.000) 15.996 10.803 ( 16.476 4.857 0.000) 17.177 10.832 ( 0.846 -0.324 0.000) 0.906 10.937 ( 3.722 -0.238 0.000) 3.730 11.115 ( 0.530 1.246 0.000) 1.354 11.158 ( -2.217 1.126 0.000) 2.486 11.365 ( 1.996 13.529 0.000) 13.675 11.807 ( -3.740 -10.526 0.000) 11.171 12.201 ( -21.038 -7.117 0.000) 22.209 13.029 ( 5.176 -10.019 0.000) 11.277 13.344 ( 7.123 -2.581 0.000) 7.577 13.554 ( 5.800 -11.597 0.000) 12.967 13.689 ( 1.954 -10.419 0.000) 10.601 13.944 ( -3.165 5.553 0.000) 6.392 14.582 ( -11.456 2.932 0.000) 11.826 15.027 ( -1.064 6.752 0.000) 6.835 15.484 ( 15.592 9.748 0.000) 18.388 16.010 ( -5.221 5.331 0.000) 7.462 16.294 ( -18.973 -12.019 0.000) 22.460 17.849 ( 3.220 -14.169 0.000) 14.530 18.057 ( -3.712 -1.161 0.000) 3.889 18.961 ( 4.546 -0.969 0.000) 4.648 19.298 ( -8.549 -22.128 0.000) 23.722 19.899 ( -4.108 11.503 0.000) 12.214 20.549 ( 28.597 22.122 0.000) 36.155 21.446 ( -5.942 -0.056 0.000) 5.942 21.495 ( -5.157 1.685 0.000) 5.425 22.175 ( -0.273 1.436 0.000) 1.462 23.406 ( 0.515 -2.739 0.000) 2.787 ======================= Grid point 16 (12/84) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( -0.000 34.443 0.000) 34.443 0.992 ( -0.000 40.788 0.000) 40.788 1.599 ( -0.000 0.471 0.000) 0.471 1.708 ( -0.000 70.068 0.000) 70.068 1.903 ( -0.000 6.807 0.000) 6.807 3.143 ( 0.000 -0.132 0.000) 0.132 3.515 ( -0.000 2.210 0.000) 2.210 3.731 ( -0.000 16.570 0.000) 16.570 3.957 ( 0.000 -17.468 0.000) 17.468 4.230 ( 0.000 -12.456 0.000) 12.456 4.442 ( 0.000 -2.386 0.000) 2.386 4.543 ( 0.000 -3.397 0.000) 3.397 4.814 ( -0.000 5.823 0.000) 5.823 4.895 ( 0.000 -1.541 0.000) 1.541 4.945 ( -0.000 4.062 0.000) 4.062 5.021 ( 0.000 -16.754 0.000) 16.754 5.074 ( 0.000 -7.632 0.000) 7.632 5.722 ( 0.000 -11.249 0.000) 11.249 6.041 ( -0.000 13.656 0.000) 13.656 6.266 ( 0.000 -18.536 0.000) 18.536 6.285 ( 0.000 -21.358 0.000) 21.358 6.538 ( 0.000 -3.688 0.000) 3.688 6.835 ( -0.000 3.751 0.000) 3.751 7.269 ( -0.000 1.908 0.000) 1.908 7.324 ( -0.000 10.376 0.000) 10.376 7.621 ( 0.000 -0.578 0.000) 0.578 7.622 ( -0.000 27.570 0.000) 27.570 8.225 ( -0.000 6.823 0.000) 6.823 8.358 ( -0.000 4.435 0.000) 4.435 8.631 ( -0.000 1.506 0.000) 1.506 9.067 ( 0.000 -13.857 0.000) 13.857 9.106 ( 0.000 -4.538 0.000) 4.538 9.461 ( -0.000 0.125 0.000) 0.125 9.845 ( -0.000 3.068 0.000) 3.068 9.902 ( 0.000 -16.433 0.000) 16.433 10.227 ( 0.000 -4.353 0.000) 4.353 10.263 ( -0.000 15.195 0.000) 15.195 10.312 ( 0.000 -3.524 0.000) 3.524 10.835 ( -0.000 1.953 0.000) 1.953 10.981 ( 0.000 -0.815 0.000) 0.815 11.094 ( -0.000 0.454 0.000) 0.454 11.131 ( -0.000 0.299 0.000) 0.299 11.149 ( -0.000 4.868 0.000) 4.868 11.344 ( 0.000 -1.841 0.000) 1.841 11.705 ( 0.000 -4.847 0.000) 4.847 11.966 ( -0.000 3.201 0.000) 3.201 13.200 ( 0.000 -8.727 0.000) 8.727 13.421 ( -0.000 0.614 0.000) 0.614 13.765 ( 0.000 -16.769 0.000) 16.769 13.844 ( -0.000 5.628 0.000) 5.628 13.867 ( 0.000 -10.200 0.000) 10.200 14.395 ( -0.000 5.159 0.000) 5.159 14.918 ( -0.000 9.716 0.000) 9.716 15.672 ( -0.000 6.517 0.000) 6.517 15.810 ( -0.000 6.766 0.000) 6.766 16.148 ( 0.000 -7.577 0.000) 7.577 17.965 ( -0.000 3.773 0.000) 3.773 18.132 ( 0.000 -19.761 0.000) 19.761 19.026 ( 0.000 -1.621 0.000) 1.621 19.487 ( 0.000 -23.418 0.000) 23.418 19.697 ( -0.000 13.651 0.000) 13.651 20.659 ( -0.000 20.443 0.000) 20.443 21.320 ( 0.000 -1.718 0.000) 1.718 21.442 ( -0.000 2.459 0.000) 2.459 22.156 ( -0.000 1.128 0.000) 1.128 23.442 ( 0.000 -2.239 0.000) 2.239 ======================= Grid point 19 (13/84) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( 13.361 0.000 0.000) 13.361 2.437 ( 23.754 0.000 0.000) 23.754 2.526 ( -0.095 -0.000 0.000) 0.095 2.564 ( 16.576 0.000 0.000) 16.576 2.812 ( -2.308 -0.000 0.000) 2.308 2.939 ( 18.158 0.000 0.000) 18.158 3.344 ( 4.822 0.000 0.000) 4.822 3.489 ( 9.854 0.000 0.000) 9.854 3.852 ( 26.930 0.000 0.000) 26.930 4.177 ( -14.710 -0.000 0.000) 14.710 4.244 ( -7.883 -0.000 0.000) 7.883 4.299 ( -4.777 -0.000 0.000) 4.777 4.307 ( -7.537 -0.000 0.000) 7.537 4.617 ( -7.564 -0.000 0.000) 7.564 5.067 ( -1.828 -0.000 0.000) 1.828 5.108 ( -5.675 -0.000 0.000) 5.675 5.141 ( -1.427 -0.000 0.000) 1.427 5.760 ( -16.044 -0.000 0.000) 16.044 6.175 ( 5.328 0.000 0.000) 5.328 6.469 ( -5.932 -0.000 0.000) 5.932 6.625 ( -3.447 -0.000 0.000) 3.447 6.680 ( -16.279 -0.000 0.000) 16.279 6.838 ( 2.382 0.000 0.000) 2.382 7.282 ( 12.728 0.000 0.000) 12.728 7.365 ( 1.475 0.000 0.000) 1.475 7.739 ( 3.502 0.000 0.000) 3.502 8.061 ( 14.115 0.000 0.000) 14.115 8.125 ( -5.112 -0.000 0.000) 5.112 8.345 ( 5.535 0.000 0.000) 5.535 8.399 ( -21.841 -0.000 0.000) 21.841 8.720 ( -7.458 -0.000 0.000) 7.458 8.730 ( -5.048 -0.000 0.000) 5.048 9.081 ( 6.355 0.000 0.000) 6.355 9.624 ( -6.987 -0.000 0.000) 6.987 9.937 ( -2.630 -0.000 0.000) 2.630 10.039 ( 21.730 0.000 0.000) 21.730 10.246 ( 4.773 0.000 0.000) 4.773 10.269 ( 15.831 0.000 0.000) 15.831 10.734 ( -3.213 -0.000 0.000) 3.213 10.753 ( -6.372 -0.000 0.000) 6.372 10.903 ( 4.721 0.000 0.000) 4.721 10.917 ( -3.809 -0.000 0.000) 3.809 11.078 ( 0.870 0.000 0.000) 0.870 11.333 ( 0.014 0.000 0.000) 0.014 12.261 ( 12.042 0.000 0.000) 12.042 12.750 ( -17.438 -0.000 0.000) 17.438 12.853 ( 1.438 0.000 0.000) 1.438 12.987 ( -2.506 -0.000 0.000) 2.506 13.075 ( -18.920 -0.000 0.000) 18.920 13.418 ( -2.018 -0.000 0.000) 2.018 14.093 ( 3.755 0.000 0.000) 3.755 14.961 ( 2.331 0.000 0.000) 2.331 15.154 ( 4.683 0.000 0.000) 4.683 15.486 ( -0.584 -0.000 0.000) 0.584 16.051 ( 5.509 0.000 0.000) 5.509 16.717 ( -12.086 -0.000 0.000) 12.086 17.519 ( -9.047 -0.000 0.000) 9.047 18.433 ( -6.079 -0.000 0.000) 6.079 18.682 ( 4.652 0.000 0.000) 4.652 18.781 ( -5.587 -0.000 0.000) 5.587 20.111 ( 6.621 0.000 0.000) 6.621 20.783 ( 10.331 0.000 0.000) 10.331 21.347 ( -0.503 -0.000 0.000) 0.503 21.599 ( 1.224 0.000 0.000) 1.224 22.194 ( 1.226 0.000 0.000) 1.226 23.364 ( -2.287 -0.000 0.000) 2.287 ======================= Grid point 20 (14/84) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( 17.810 1.723 0.000) 17.893 2.427 ( -0.381 -4.415 0.000) 4.431 2.595 ( -3.608 14.231 0.000) 14.681 2.723 ( 3.116 -5.556 0.000) 6.370 2.804 ( 9.108 -2.903 0.000) 9.560 3.307 ( 7.362 20.830 0.000) 22.092 3.464 ( 24.863 -10.575 0.000) 27.019 3.794 ( -7.558 20.546 0.000) 21.892 3.857 ( 13.609 -14.413 0.000) 19.823 4.062 ( 1.110 7.290 0.000) 7.374 4.100 ( -5.850 -3.301 0.000) 6.717 4.325 ( -3.930 -10.997 0.000) 11.678 4.395 ( 2.188 -18.734 0.000) 18.861 4.487 ( -4.062 1.763 0.000) 4.428 4.905 ( -5.003 8.333 0.000) 9.719 5.036 ( -0.835 1.083 0.000) 1.368 5.139 ( -15.137 0.220 0.000) 15.138 5.419 ( -12.484 -9.945 0.000) 15.961 6.074 ( -10.084 24.413 0.000) 26.414 6.366 ( -18.591 -0.382 0.000) 18.595 6.500 ( 11.193 0.660 0.000) 11.212 6.691 ( 5.047 -8.997 0.000) 10.316 6.823 ( -2.467 2.554 0.000) 3.551 7.261 ( -6.305 -6.109 0.000) 8.779 7.575 ( 7.692 3.150 0.000) 8.312 7.778 ( 3.157 -3.740 0.000) 4.894 7.955 ( -12.969 0.142 0.000) 12.970 8.259 ( -0.533 -6.393 0.000) 6.415 8.293 ( 9.460 -2.715 0.000) 9.842 8.450 ( 5.332 -1.778 0.000) 5.621 8.648 ( -2.971 -3.288 0.000) 4.431 8.682 ( -2.445 -3.631 0.000) 4.377 9.149 ( 2.739 1.699 0.000) 3.223 9.485 ( -3.581 8.266 0.000) 9.009 9.923 ( -1.606 -3.496 0.000) 3.847 10.274 ( 20.166 15.667 0.000) 25.537 10.280 ( 0.449 2.747 0.000) 2.783 10.585 ( 7.420 -0.507 0.000) 7.437 10.696 ( -2.573 -2.486 0.000) 3.578 10.715 ( 1.043 -11.046 0.000) 11.095 10.844 ( -2.406 -0.599 0.000) 2.480 11.035 ( 8.886 1.261 0.000) 8.975 11.122 ( 3.079 -5.080 0.000) 5.940 11.312 ( -1.653 0.888 0.000) 1.876 12.331 ( -4.128 10.565 0.000) 11.343 12.501 ( -8.508 -1.051 0.000) 8.572 12.747 ( -14.143 -0.595 0.000) 14.155 12.908 ( 5.099 0.708 0.000) 5.148 13.012 ( 1.825 -4.188 0.000) 4.569 13.406 ( -2.068 -3.483 0.000) 4.051 14.133 ( 0.635 -0.140 0.000) 0.650 14.961 ( -0.984 2.633 0.000) 2.811 15.244 ( 3.485 -2.695 0.000) 4.405 15.404 ( -3.293 4.193 0.000) 5.331 16.167 ( 2.303 -4.493 0.000) 5.049 16.497 ( -10.471 2.552 0.000) 10.777 17.391 ( -8.440 -4.205 0.000) 9.429 18.328 ( -3.005 3.927 0.000) 4.945 18.749 ( -5.308 -8.392 0.000) 9.930 18.763 ( 3.632 -1.360 0.000) 3.878 20.196 ( 3.776 0.971 0.000) 3.899 20.843 ( 10.800 15.944 0.000) 19.257 21.399 ( 0.313 -6.596 0.000) 6.603 21.616 ( -0.270 -0.974 0.000) 1.011 22.213 ( 1.052 0.163 0.000) 1.065 23.330 ( -1.830 -0.422 0.000) 1.878 ======================= Grid point 21 (15/84) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( -20.707 -0.093 0.000) 20.708 2.258 ( -15.456 13.067 0.000) 20.239 2.728 ( 3.037 8.446 0.000) 8.975 2.819 ( -9.162 -19.017 0.000) 21.109 3.055 ( 20.629 -5.645 0.000) 21.387 3.144 ( 5.354 17.512 0.000) 18.312 3.296 ( -10.958 27.519 0.000) 29.620 3.966 ( 20.214 2.335 0.000) 20.349 3.979 ( 6.788 1.982 0.000) 7.071 4.087 ( 0.252 -5.282 0.000) 5.288 4.272 ( -9.477 -3.908 0.000) 10.251 4.337 ( 5.848 -18.469 0.000) 19.372 4.504 ( -9.837 -3.384 0.000) 10.403 4.623 ( 20.995 3.570 0.000) 21.296 4.756 ( -12.869 -8.881 0.000) 15.636 4.893 ( 2.539 8.209 0.000) 8.592 5.019 ( 0.476 1.173 0.000) 1.266 5.406 ( -10.225 11.739 0.000) 15.568 5.559 ( -13.337 -2.258 0.000) 13.527 6.125 ( -12.098 -4.615 0.000) 12.948 6.587 ( 3.896 8.612 0.000) 9.452 6.691 ( -8.749 3.557 0.000) 9.445 6.932 ( 9.463 -7.703 0.000) 12.202 7.226 ( -10.579 -9.662 0.000) 14.327 7.557 ( -5.055 4.234 0.000) 6.594 7.752 ( -0.579 -4.186 0.000) 4.226 8.020 ( 8.742 -5.746 0.000) 10.462 8.361 ( 4.290 -2.803 0.000) 5.125 8.372 ( 2.059 5.704 0.000) 6.064 8.562 ( 2.721 -4.143 0.000) 4.957 8.697 ( 0.389 -6.699 0.000) 6.711 8.780 ( 2.875 -11.783 0.000) 12.128 9.158 ( 3.222 2.821 0.000) 4.282 9.313 ( -1.324 12.431 0.000) 12.502 9.969 ( -0.105 -6.577 0.000) 6.577 10.198 ( -3.342 5.487 0.000) 6.424 10.339 ( 2.299 7.849 0.000) 8.179 10.624 ( 7.357 1.902 0.000) 7.598 10.707 ( -2.267 -5.552 0.000) 5.998 10.851 ( 1.775 -1.090 0.000) 2.083 10.894 ( 8.110 3.236 0.000) 8.732 11.155 ( 8.070 3.533 0.000) 8.810 11.264 ( -1.824 1.703 0.000) 2.496 11.330 ( 6.698 -12.113 0.000) 13.841 12.002 ( -10.427 15.461 0.000) 18.648 12.335 ( -13.347 -1.289 0.000) 13.409 12.653 ( -4.117 -7.760 0.000) 8.785 13.080 ( 11.764 -3.304 0.000) 12.219 13.103 ( 2.246 -4.214 0.000) 4.775 13.436 ( -0.907 -5.693 0.000) 5.765 14.116 ( -1.864 1.168 0.000) 2.200 14.869 ( -4.257 4.948 0.000) 6.527 15.221 ( -4.257 3.117 0.000) 5.276 15.434 ( 6.123 -3.668 0.000) 7.138 16.157 ( -4.544 2.608 0.000) 5.239 16.355 ( -6.283 -1.476 0.000) 6.454 17.351 ( -5.976 -9.968 0.000) 11.622 18.238 ( -1.188 5.200 0.000) 5.334 18.780 ( -5.781 -12.167 0.000) 13.470 18.839 ( 3.122 -1.881 0.000) 3.645 20.208 ( 1.055 3.983 0.000) 4.120 20.853 ( 14.731 16.543 0.000) 22.151 21.462 ( -0.807 -3.668 0.000) 3.756 21.602 ( -2.569 -0.224 0.000) 2.578 22.222 ( 0.548 0.843 0.000) 1.006 23.318 ( -0.928 -1.606 0.000) 1.855 ======================= Grid point 22 (16/84) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( -17.534 -1.200 0.000) 17.575 1.827 ( -16.064 10.690 0.000) 19.295 2.407 ( -5.936 30.399 0.000) 30.973 2.628 ( -23.029 9.250 0.000) 24.818 3.075 ( 7.029 -4.331 0.000) 8.256 3.114 ( 2.250 1.488 0.000) 2.698 3.445 ( 13.927 -3.368 0.000) 14.328 4.033 ( -2.880 28.425 0.000) 28.570 4.096 ( -3.403 -5.647 0.000) 6.594 4.140 ( 10.076 -2.656 0.000) 10.420 4.207 ( -5.868 -9.258 0.000) 10.961 4.417 ( -3.166 28.864 0.000) 29.037 4.452 ( -0.977 -6.804 0.000) 6.874 4.597 ( 0.187 -18.620 0.000) 18.621 4.911 ( 17.823 8.650 0.000) 19.811 4.938 ( 5.535 1.065 0.000) 5.637 5.015 ( 1.488 3.124 0.000) 3.461 5.196 ( -7.637 -17.731 0.000) 19.306 5.593 ( -5.635 -15.445 0.000) 16.441 6.084 ( 0.070 -3.842 0.000) 3.842 6.461 ( -14.154 -0.107 0.000) 14.154 6.480 ( -1.725 9.132 0.000) 9.293 7.040 ( -3.407 3.316 0.000) 4.755 7.218 ( -1.917 -13.161 0.000) 13.300 7.396 ( -6.125 2.363 0.000) 6.564 7.844 ( 6.696 7.128 0.000) 9.780 8.279 ( 7.005 -15.157 0.000) 16.697 8.282 ( -0.882 9.509 0.000) 9.550 8.465 ( 5.695 -1.282 0.000) 5.838 8.605 ( 0.413 3.066 0.000) 3.094 8.732 ( -5.037 -3.601 0.000) 6.192 8.953 ( 1.272 -5.335 0.000) 5.484 9.230 ( 1.984 -3.936 0.000) 4.408 9.261 ( 10.055 -1.681 0.000) 10.194 10.041 ( -0.946 1.801 0.000) 2.034 10.094 ( -0.922 -3.304 0.000) 3.430 10.208 ( -10.514 -1.281 0.000) 10.592 10.744 ( -1.591 -6.257 0.000) 6.456 10.771 ( 11.183 9.076 0.000) 14.402 10.908 ( 2.230 -1.791 0.000) 2.860 10.950 ( 12.830 7.976 0.000) 15.107 11.192 ( 0.756 3.267 0.000) 3.353 11.230 ( 2.571 4.956 0.000) 5.583 11.519 ( -5.982 -10.653 0.000) 12.218 11.702 ( -0.728 13.668 0.000) 13.687 12.125 ( -12.767 -2.074 0.000) 12.934 12.754 ( 0.846 -12.194 0.000) 12.224 13.198 ( 1.378 -8.164 0.000) 8.279 13.335 ( 9.541 -6.898 0.000) 11.773 13.488 ( -1.203 -5.104 0.000) 5.244 14.052 ( -2.160 3.179 0.000) 3.843 14.712 ( -5.265 7.036 0.000) 8.788 15.128 ( -2.444 2.039 0.000) 3.182 15.615 ( 10.807 -2.584 0.000) 11.112 16.038 ( -4.672 2.446 0.000) 5.274 16.223 ( -9.949 2.515 0.000) 10.262 17.434 ( -2.527 -15.861 0.000) 16.061 18.160 ( -0.456 5.753 0.000) 5.771 18.847 ( -4.861 -14.524 0.000) 15.316 18.913 ( 2.372 -2.636 0.000) 3.546 20.139 ( -0.665 7.968 0.000) 7.996 20.964 ( 18.941 12.892 0.000) 22.912 21.436 ( -6.907 -0.588 0.000) 6.932 21.540 ( -2.394 1.713 0.000) 2.944 22.212 ( 0.082 1.535 0.000) 1.537 23.336 ( -0.152 -2.794 0.000) 2.798 ======================= Grid point 23 (17/84) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( -0.000 16.641 0.000) 16.641 1.596 ( 0.000 -1.047 0.000) 1.047 1.932 ( -0.000 37.209 0.000) 37.209 2.215 ( -0.000 19.061 0.000) 19.061 3.132 ( 0.000 -0.624 0.000) 0.624 3.311 ( -0.000 62.699 0.000) 62.699 3.360 ( 0.000 -24.632 0.000) 24.632 3.565 ( -0.000 1.183 0.000) 1.183 4.084 ( 0.000 -3.726 0.000) 3.726 4.217 ( -0.000 20.418 0.000) 20.418 4.307 ( 0.000 -6.945 0.000) 6.945 4.313 ( 0.000 -13.918 0.000) 13.918 4.574 ( 0.000 -16.732 0.000) 16.732 4.803 ( 0.000 -15.240 0.000) 15.240 4.966 ( -0.000 4.226 0.000) 4.226 4.982 ( -0.000 8.557 0.000) 8.557 4.987 ( -0.000 0.235 0.000) 0.235 5.360 ( 0.000 -18.161 0.000) 18.161 5.756 ( 0.000 -20.550 0.000) 20.550 6.087 ( -0.000 3.768 0.000) 3.768 6.354 ( -0.000 10.438 0.000) 10.438 6.379 ( 0.000 -9.819 0.000) 9.819 6.933 ( -0.000 4.623 0.000) 4.623 7.315 ( -0.000 1.945 0.000) 1.945 7.346 ( 0.000 -8.209 0.000) 8.209 7.777 ( -0.000 11.596 0.000) 11.596 8.131 ( -0.000 14.080 0.000) 14.080 8.442 ( 0.000 -0.181 0.000) 0.181 8.495 ( -0.000 13.399 0.000) 13.399 8.659 ( -0.000 0.407 0.000) 0.407 8.667 ( 0.000 -16.886 0.000) 16.886 8.993 ( 0.000 -3.222 0.000) 3.222 9.422 ( 0.000 -3.503 0.000) 3.503 9.428 ( 0.000 -19.909 0.000) 19.909 9.952 ( -0.000 5.832 0.000) 5.832 10.119 ( 0.000 -3.763 0.000) 3.763 10.185 ( 0.000 -7.084 0.000) 7.084 10.669 ( -0.000 16.746 0.000) 16.746 10.801 ( 0.000 -4.974 0.000) 4.974 10.951 ( 0.000 -1.795 0.000) 1.795 11.160 ( -0.000 2.166 0.000) 2.166 11.182 ( -0.000 6.486 0.000) 6.486 11.235 ( -0.000 0.369 0.000) 0.369 11.313 ( 0.000 -0.502 0.000) 0.502 11.654 ( -0.000 3.328 0.000) 3.328 12.014 ( -0.000 0.004 0.000) 0.004 12.926 ( 0.000 -13.330 0.000) 13.330 13.359 ( 0.000 -14.931 0.000) 14.931 13.445 ( -0.000 1.341 0.000) 1.341 13.587 ( 0.000 -12.561 0.000) 12.561 13.982 ( -0.000 4.988 0.000) 4.988 14.560 ( -0.000 8.241 0.000) 8.241 15.082 ( -0.000 3.461 0.000) 3.461 15.871 ( -0.000 9.198 0.000) 9.198 15.889 ( 0.000 -10.599 0.000) 10.599 16.023 ( -0.000 7.358 0.000) 7.358 17.633 ( 0.000 -20.029 0.000) 20.029 18.085 ( -0.000 5.856 0.000) 5.856 18.971 ( 0.000 -2.911 0.000) 2.911 18.988 ( 0.000 -17.484 0.000) 17.484 20.011 ( -0.000 11.448 0.000) 11.448 21.083 ( -0.000 14.615 0.000) 14.615 21.280 ( 0.000 -1.474 0.000) 1.474 21.501 ( -0.000 2.217 0.000) 2.217 22.192 ( -0.000 1.734 0.000) 1.734 23.373 ( 0.000 -3.235 0.000) 3.235 ======================= Grid point 28 (18/84) ======================= q-point: ( 0.38 -0.62 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( -22.227 -0.000 0.000) 22.227 2.403 ( -24.696 -0.000 0.000) 24.696 2.580 ( -12.205 -0.000 0.000) 12.205 2.770 ( 11.761 0.000 0.000) 11.761 2.981 ( 20.036 0.000 0.000) 20.036 3.615 ( 6.103 0.000 0.000) 6.103 3.818 ( -1.335 -0.000 0.000) 1.335 3.897 ( 25.503 0.000 0.000) 25.503 3.942 ( -13.448 -0.000 0.000) 13.448 3.946 ( 1.243 0.000 0.000) 1.243 4.123 ( 0.874 0.000 0.000) 0.874 4.186 ( -7.829 -0.000 0.000) 7.829 4.307 ( 14.120 0.000 0.000) 14.120 4.573 ( -26.877 -0.000 0.000) 26.877 4.684 ( 27.443 0.000 0.000) 27.443 5.032 ( -0.049 -0.000 0.000) 0.049 5.115 ( -6.684 -0.000 0.000) 6.684 5.205 ( 3.985 0.000 0.000) 3.985 6.043 ( -16.872 -0.000 0.000) 16.872 6.062 ( -15.174 -0.000 0.000) 15.174 6.521 ( 2.027 0.000 0.000) 2.027 6.748 ( -8.283 -0.000 0.000) 8.283 6.955 ( 21.370 0.000 0.000) 21.370 7.005 ( -17.637 -0.000 0.000) 17.637 7.553 ( -2.888 -0.000 0.000) 2.888 7.659 ( -11.723 -0.000 0.000) 11.723 8.008 ( 11.718 0.000 0.000) 11.718 8.335 ( 8.651 0.000 0.000) 8.651 8.423 ( 7.132 0.000 0.000) 7.132 8.536 ( 5.021 0.000 0.000) 5.021 8.605 ( 0.342 0.000 0.000) 0.342 8.606 ( -2.930 -0.000 0.000) 2.930 9.192 ( 1.602 0.000 0.000) 1.602 9.517 ( 0.535 0.000 0.000) 0.535 9.849 ( -3.371 -0.000 0.000) 3.371 10.287 ( -1.842 -0.000 0.000) 1.842 10.426 ( -14.251 -0.000 0.000) 14.251 10.616 ( -4.161 -0.000 0.000) 4.161 10.752 ( 18.403 0.000 0.000) 18.403 10.835 ( 14.785 0.000 0.000) 14.785 10.836 ( 1.420 0.000 0.000) 1.420 11.172 ( 6.436 0.000 0.000) 6.436 11.206 ( 9.626 0.000 0.000) 9.626 11.284 ( -1.947 -0.000 0.000) 1.947 12.206 ( -12.930 -0.000 0.000) 12.930 12.436 ( -15.891 -0.000 0.000) 15.891 12.441 ( -4.563 -0.000 0.000) 4.563 13.029 ( 6.423 0.000 0.000) 6.423 13.070 ( 5.471 0.000 0.000) 5.471 13.356 ( 0.624 0.000 0.000) 0.624 14.127 ( -1.241 -0.000 0.000) 1.241 14.955 ( -2.360 -0.000 0.000) 2.360 15.251 ( -3.299 -0.000 0.000) 3.299 15.360 ( 0.082 0.000 0.000) 0.082 16.190 ( 1.563 0.000 0.000) 1.563 16.347 ( -7.646 -0.000 0.000) 7.646 17.227 ( -7.288 -0.000 0.000) 7.288 18.309 ( -1.668 -0.000 0.000) 1.668 18.634 ( -3.326 -0.000 0.000) 3.326 18.810 ( 2.722 0.000 0.000) 2.722 20.257 ( 2.324 0.000 0.000) 2.324 21.098 ( 7.764 0.000 0.000) 7.764 21.371 ( 2.086 0.000 0.000) 2.086 21.601 ( -1.171 -0.000 0.000) 1.171 22.232 ( 0.908 0.000 0.000) 0.908 23.298 ( -1.464 -0.000 0.000) 1.464 ======================= Grid point 30 (19/84) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( -19.348 -1.131 0.000) 19.381 1.949 ( -23.743 0.207 0.000) 23.744 2.400 ( -13.822 -8.845 0.000) 16.409 2.827 ( 0.635 3.610 0.000) 3.665 3.347 ( 15.653 2.757 0.000) 15.894 3.424 ( 1.871 19.234 0.000) 19.325 3.551 ( -5.025 24.178 0.000) 24.695 3.951 ( -0.858 -4.728 0.000) 4.805 3.982 ( -3.652 -11.265 0.000) 11.842 4.079 ( -4.816 -13.754 0.000) 14.573 4.155 ( -13.509 -0.248 0.000) 13.511 4.167 ( 1.305 -3.296 0.000) 3.545 4.432 ( 14.079 -12.016 0.000) 18.509 4.620 ( 12.061 -4.201 0.000) 12.772 5.010 ( 1.765 0.713 0.000) 1.904 5.012 ( 0.393 3.804 0.000) 3.825 5.178 ( 24.672 7.439 0.000) 25.769 5.324 ( 0.678 -6.471 0.000) 6.507 5.530 ( -14.792 33.574 0.000) 36.688 5.916 ( -4.401 -6.993 0.000) 8.263 6.544 ( -12.757 3.681 0.000) 13.278 6.587 ( -4.592 -1.777 0.000) 4.924 6.787 ( -11.536 -18.222 0.000) 21.566 7.189 ( 9.412 9.601 0.000) 13.445 7.455 ( -7.045 1.655 0.000) 7.237 7.690 ( 4.703 -15.220 0.000) 15.930 8.145 ( 5.655 2.030 0.000) 6.008 8.467 ( 6.558 0.540 0.000) 6.580 8.471 ( 0.909 6.234 0.000) 6.300 8.561 ( 1.579 -2.231 0.000) 2.733 8.641 ( 0.149 -2.969 0.000) 2.973 8.687 ( 1.862 -9.956 0.000) 10.129 9.232 ( 3.691 -0.683 0.000) 3.753 9.457 ( 0.716 11.801 0.000) 11.822 9.863 ( -1.023 -8.738 0.000) 8.798 10.186 ( -12.613 -0.395 0.000) 12.620 10.216 ( -2.176 5.421 0.000) 5.842 10.584 ( -3.249 -5.671 0.000) 6.535 10.872 ( 1.751 -0.921 0.000) 1.978 10.947 ( 13.388 7.027 0.000) 15.120 11.070 ( 8.440 -0.393 0.000) 8.450 11.249 ( -0.975 1.392 0.000) 1.700 11.312 ( 3.850 -5.165 0.000) 6.442 11.332 ( 6.080 2.552 0.000) 6.594 11.985 ( -7.625 4.907 0.000) 9.067 12.133 ( -10.944 7.286 0.000) 13.148 12.462 ( -3.610 -11.971 0.000) 12.504 13.088 ( -0.417 -0.541 0.000) 0.683 13.168 ( 4.215 -5.856 0.000) 7.215 13.433 ( 5.198 -0.669 0.000) 5.241 14.097 ( -1.577 0.758 0.000) 1.750 14.877 ( -2.539 5.395 0.000) 5.963 15.149 ( -5.374 0.179 0.000) 5.377 15.452 ( 3.920 -6.461 0.000) 7.558 16.152 ( -2.468 3.734 0.000) 4.476 16.271 ( -2.193 1.097 0.000) 2.452 17.164 ( -4.009 -5.986 0.000) 7.205 18.273 ( -0.548 2.939 0.000) 2.990 18.616 ( -2.349 -4.763 0.000) 5.310 18.855 ( 1.509 -1.657 0.000) 2.241 20.268 ( 0.816 2.736 0.000) 2.855 21.176 ( 7.464 4.766 0.000) 8.856 21.418 ( 0.248 -0.755 0.000) 0.795 21.570 ( -1.905 0.680 0.000) 2.022 22.240 ( 0.442 0.673 0.000) 0.805 23.286 ( -0.687 -1.182 0.000) 1.367 ======================= Grid point 31 (20/84) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 0.000 -2.406 0.000) 2.406 1.723 ( -0.000 1.920 0.000) 1.920 2.381 ( 0.000 -10.079 0.000) 10.079 2.688 ( -0.000 20.856 0.000) 20.856 3.185 ( -0.000 10.351 0.000) 10.351 3.251 ( -0.000 19.317 0.000) 19.317 3.557 ( 0.000 -1.329 0.000) 1.329 3.997 ( 0.000 -10.387 0.000) 10.387 4.016 ( 0.000 -1.580 0.000) 1.580 4.067 ( 0.000 -11.032 0.000) 11.032 4.198 ( 0.000 -1.998 0.000) 1.998 4.344 ( 0.000 -22.775 0.000) 22.775 4.588 ( -0.000 23.376 0.000) 23.376 4.836 ( 0.000 -20.139 0.000) 20.139 4.879 ( -0.000 37.759 0.000) 37.759 5.013 ( -0.000 0.583 0.000) 0.583 5.024 ( 0.000 -1.833 0.000) 1.833 5.255 ( -0.000 13.446 0.000) 13.446 5.403 ( 0.000 -6.940 0.000) 6.940 6.081 ( 0.000 -14.369 0.000) 14.369 6.297 ( -0.000 9.817 0.000) 9.817 6.498 ( -0.000 1.963 0.000) 1.963 6.961 ( 0.000 -17.230 0.000) 17.230 7.138 ( -0.000 6.670 0.000) 6.670 7.368 ( -0.000 2.340 0.000) 2.340 7.926 ( 0.000 -8.243 0.000) 8.243 8.191 ( 0.000 -5.629 0.000) 5.629 8.383 ( -0.000 8.352 0.000) 8.352 8.534 ( 0.000 -0.369 0.000) 0.369 8.610 ( 0.000 -2.428 0.000) 2.428 8.648 ( 0.000 -1.022 0.000) 1.022 8.846 ( 0.000 -12.788 0.000) 12.788 9.306 ( -0.000 12.037 0.000) 12.037 9.318 ( 0.000 -4.290 0.000) 4.290 9.978 ( 0.000 -9.996 0.000) 9.996 10.067 ( 0.000 -0.745 0.000) 0.745 10.114 ( -0.000 7.290 0.000) 7.290 10.639 ( 0.000 -7.672 0.000) 7.672 10.905 ( 0.000 -1.737 0.000) 1.737 10.982 ( -0.000 8.715 0.000) 8.715 11.195 ( 0.000 -2.266 0.000) 2.266 11.219 ( -0.000 2.249 0.000) 2.249 11.319 ( -0.000 0.827 0.000) 0.827 11.337 ( -0.000 5.324 0.000) 5.324 11.866 ( -0.000 12.770 0.000) 12.770 11.961 ( 0.000 -3.640 0.000) 3.640 12.596 ( 0.000 -13.949 0.000) 13.949 13.113 ( 0.000 -5.242 0.000) 5.242 13.307 ( 0.000 -10.034 0.000) 10.034 13.477 ( -0.000 1.115 0.000) 1.115 14.065 ( -0.000 2.006 0.000) 2.006 14.766 ( -0.000 8.329 0.000) 8.329 15.106 ( 0.000 -0.476 0.000) 0.476 15.604 ( 0.000 -11.212 0.000) 11.212 16.067 ( -0.000 6.406 0.000) 6.406 16.200 ( -0.000 5.850 0.000) 5.850 17.239 ( 0.000 -11.973 0.000) 11.973 18.221 ( -0.000 4.906 0.000) 4.906 18.673 ( 0.000 -8.703 0.000) 8.703 18.897 ( 0.000 -2.892 0.000) 2.892 20.221 ( -0.000 5.956 0.000) 5.956 21.254 ( 0.000 -0.742 0.000) 0.742 21.349 ( -0.000 7.554 0.000) 7.554 21.541 ( -0.000 1.078 0.000) 1.078 22.231 ( -0.000 1.352 0.000) 1.352 23.302 ( 0.000 -2.364 0.000) 2.364 ======================= Grid point 39 (21/84) ======================= q-point: (-0.50 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 0.000 -0.000 0.000) 0.000 1.707 ( 0.000 -0.000 0.000) 0.000 2.219 ( 0.000 -0.000 0.000) 0.000 2.851 ( 0.000 -0.000 0.000) 0.000 3.536 ( 0.000 -0.000 0.000) 0.000 3.635 ( -0.000 0.000 0.000) 0.000 3.694 ( -0.000 0.000 0.000) 0.000 3.746 ( 0.000 -0.000 0.000) 0.000 3.889 ( 0.000 -0.000 0.000) 0.000 3.909 ( 0.000 -0.000 0.000) 0.000 4.030 ( 0.000 -0.000 0.000) 0.000 4.180 ( 0.000 -0.000 0.000) 0.000 4.450 ( 0.000 -0.000 0.000) 0.000 4.765 ( 0.000 -0.000 0.000) 0.000 5.016 ( 0.000 -0.000 0.000) 0.000 5.018 ( 0.000 -0.000 0.000) 0.000 5.335 ( 0.000 -0.000 0.000) 0.000 5.515 ( 0.000 -0.000 0.000) 0.000 5.648 ( -0.000 0.000 0.000) 0.000 5.808 ( 0.000 -0.000 0.000) 0.000 6.429 ( 0.000 -0.000 0.000) 0.000 6.507 ( 0.000 -0.000 0.000) 0.000 6.531 ( 0.000 -0.000 0.000) 0.000 7.397 ( -0.000 0.000 0.000) 0.000 7.402 ( 0.000 -0.000 0.000) 0.000 7.580 ( 0.000 -0.000 0.000) 0.000 8.209 ( 0.000 -0.000 0.000) 0.000 8.529 ( 0.000 -0.000 0.000) 0.000 8.542 ( 0.000 -0.000 0.000) 0.000 8.546 ( -0.000 0.000 0.000) 0.000 8.631 ( 0.000 -0.000 0.000) 0.000 8.632 ( 0.000 -0.000 0.000) 0.000 9.259 ( 0.000 -0.000 0.000) 0.000 9.564 ( -0.000 0.000 0.000) 0.000 9.774 ( 0.000 -0.000 0.000) 0.000 10.063 ( 0.000 -0.000 0.000) 0.000 10.238 ( 0.000 -0.000 0.000) 0.000 10.510 ( 0.000 -0.000 0.000) 0.000 10.882 ( 0.000 -0.000 0.000) 0.000 11.111 ( 0.000 -0.000 0.000) 0.000 11.136 ( 0.000 -0.000 0.000) 0.000 11.249 ( 0.000 -0.000 0.000) 0.000 11.334 ( 0.000 -0.000 0.000) 0.000 11.404 ( 0.000 -0.000 0.000) 0.000 11.904 ( 0.000 -0.000 0.000) 0.000 12.140 ( 0.000 -0.000 0.000) 0.000 12.320 ( -0.000 0.000 0.000) 0.000 13.078 ( 0.000 -0.000 0.000) 0.000 13.158 ( -0.000 0.000 0.000) 0.000 13.491 ( 0.000 -0.000 0.000) 0.000 14.087 ( 0.000 -0.000 0.000) 0.000 14.892 ( 0.000 -0.000 0.000) 0.000 15.095 ( 0.000 -0.000 0.000) 0.000 15.441 ( 0.000 -0.000 0.000) 0.000 16.148 ( 0.000 -0.000 0.000) 0.000 16.274 ( 0.000 -0.000 0.000) 0.000 17.092 ( 0.000 -0.000 0.000) 0.000 18.287 ( 0.000 -0.000 0.000) 0.000 18.570 ( 0.000 -0.000 0.000) 0.000 18.857 ( 0.000 -0.000 0.000) 0.000 20.292 ( 0.000 -0.000 0.000) 0.000 21.245 ( 0.000 -0.000 0.000) 0.000 21.440 ( 0.000 -0.000 0.000) 0.000 21.553 ( 0.000 -0.000 0.000) 0.000 22.249 ( 0.000 -0.000 0.000) 0.000 23.272 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 69 (22/84) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( 0.000 0.000 38.357) 38.357 0.756 ( 0.000 0.000 37.921) 37.921 1.395 ( 0.000 0.000 71.568) 71.568 1.618 ( 0.000 0.000 2.579) 2.579 1.847 ( 0.000 0.000 2.257) 2.257 3.384 ( 0.000 0.000 8.300) 8.300 3.411 ( 0.000 0.000 3.263) 3.263 3.499 ( 0.000 0.000 -0.962) 0.962 4.036 ( 0.000 0.000 -3.316) 3.316 4.388 ( 0.000 0.000 -30.171) 30.171 4.456 ( 0.000 0.000 0.330) 0.330 4.593 ( 0.000 0.000 0.502) 0.502 4.634 ( 0.000 0.000 7.754) 7.754 4.808 ( 0.000 0.000 1.795) 1.795 5.024 ( 0.000 0.000 6.788) 6.788 5.257 ( 0.000 0.000 11.447) 11.447 5.650 ( 0.000 0.000 24.917) 24.917 5.832 ( 0.000 0.000 -4.132) 4.132 5.851 ( 0.000 0.000 1.560) 1.560 6.103 ( 0.000 0.000 -4.477) 4.477 6.418 ( 0.000 0.000 -17.837) 17.837 6.494 ( 0.000 0.000 -8.128) 8.128 6.711 ( 0.000 0.000 -6.494) 6.494 7.000 ( 0.000 0.000 -2.154) 2.154 7.302 ( 0.000 0.000 11.951) 11.951 7.305 ( 0.000 0.000 6.497) 6.497 7.551 ( 0.000 0.000 -9.774) 9.774 7.964 ( 0.000 0.000 -10.592) 10.592 8.532 ( 0.000 0.000 -7.841) 7.841 9.024 ( 0.000 0.000 -11.972) 11.972 9.319 ( 0.000 0.000 3.887) 3.887 9.342 ( 0.000 0.000 8.299) 8.299 9.601 ( 0.000 0.000 7.835) 7.835 9.825 ( 0.000 0.000 5.438) 5.438 9.841 ( 0.000 0.000 3.354) 3.354 10.023 ( 0.000 0.000 -3.065) 3.065 10.257 ( 0.000 0.000 -2.645) 2.645 10.353 ( 0.000 0.000 -0.121) 0.121 10.405 ( 0.000 0.000 3.588) 3.588 10.800 ( 0.000 0.000 0.608) 0.608 11.068 ( 0.000 0.000 -6.185) 6.185 11.103 ( 0.000 0.000 -0.519) 0.519 11.154 ( 0.000 0.000 7.864) 7.864 11.407 ( 0.000 0.000 3.787) 3.787 11.900 ( 0.000 0.000 -1.674) 1.674 12.954 ( 0.000 0.000 -0.111) 0.111 13.259 ( 0.000 0.000 -16.847) 16.847 13.279 ( 0.000 0.000 -3.029) 3.029 13.970 ( 0.000 0.000 0.345) 0.345 13.977 ( 0.000 0.000 15.877) 15.877 14.051 ( 0.000 0.000 -0.899) 0.899 14.781 ( 0.000 0.000 4.045) 4.045 15.060 ( 0.000 0.000 0.387) 0.387 15.213 ( 0.000 0.000 -1.924) 1.924 15.540 ( 0.000 0.000 -5.017) 5.017 15.652 ( 0.000 0.000 -7.115) 7.115 18.499 ( 0.000 0.000 7.928) 7.928 19.143 ( 0.000 0.000 7.995) 7.995 19.170 ( 0.000 0.000 2.465) 2.465 19.218 ( 0.000 0.000 -0.529) 0.529 19.462 ( 0.000 0.000 -2.526) 2.526 19.968 ( 0.000 0.000 -0.470) 0.470 20.176 ( 0.000 0.000 -3.776) 3.776 21.232 ( 0.000 0.000 -16.487) 16.487 22.982 ( 0.000 0.000 8.263) 8.263 23.468 ( 0.000 0.000 -0.301) 0.301 ======================= Grid point 70 (23/84) ======================= q-point: ( 0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 19.685 -14.735 25.317) 35.293 1.104 ( 22.465 -19.039 23.320) 37.564 1.762 ( 15.810 -0.305 2.733) 16.048 1.980 ( 36.413 -26.741 47.245) 65.369 2.249 ( 27.524 7.270 -14.896) 32.129 3.243 ( -9.424 1.572 8.944) 13.088 3.382 ( -14.836 -11.163 2.010) 18.675 3.496 ( -2.206 -1.421 0.358) 2.648 4.039 ( -1.948 4.910 -3.920) 6.578 4.163 ( -19.182 -2.728 2.720) 19.565 4.407 ( -0.234 3.697 -22.028) 22.338 4.521 ( 6.638 14.790 -2.158) 16.354 4.685 ( 0.900 -1.954 2.515) 3.309 4.881 ( -4.811 3.201 2.674) 6.368 4.988 ( 1.241 -0.027 6.293) 6.414 5.206 ( -2.430 5.362 10.666) 12.183 5.590 ( 0.420 6.951 23.581) 24.588 5.733 ( -12.521 -13.016 -0.264) 18.062 5.963 ( 15.748 12.070 -12.412) 23.404 6.292 ( 7.136 0.174 -13.271) 15.069 6.435 ( 1.929 13.637 -9.690) 16.841 6.547 ( 7.340 -12.074 -12.652) 18.967 6.636 ( 8.238 9.816 -4.954) 13.739 7.124 ( -5.944 -11.165 2.606) 12.914 7.354 ( 4.294 -3.139 2.725) 5.976 7.453 ( 8.507 -14.769 -0.048) 17.044 7.570 ( 1.592 -1.899 -3.764) 4.507 8.023 ( 2.145 -4.647 -10.607) 11.777 8.575 ( 4.242 -0.896 -8.234) 9.306 8.925 ( -11.002 15.132 3.223) 18.984 9.000 ( -1.397 16.022 13.492) 20.993 9.293 ( -5.354 3.948 10.600) 12.514 9.446 ( -11.398 2.199 8.150) 14.184 9.784 ( -21.781 -25.879 5.108) 34.208 9.915 ( 5.065 -0.334 3.261) 6.033 10.032 ( -2.435 -10.240 -0.743) 10.552 10.076 ( -11.853 2.671 3.832) 12.740 10.290 ( -6.279 1.056 0.296) 6.374 10.530 ( 8.900 -2.040 -7.812) 12.016 10.777 ( -3.779 -2.355 -2.239) 4.984 10.978 ( -9.094 -0.770 3.747) 9.866 11.068 ( 0.083 1.045 -4.110) 4.241 11.176 ( 5.258 1.811 4.296) 7.027 11.365 ( -2.878 -3.521 13.593) 14.333 11.922 ( 1.478 -0.931 -0.028) 1.747 12.789 ( 7.741 23.690 5.626) 25.550 13.205 ( -4.820 4.878 -4.632) 8.276 13.280 ( -3.872 -1.680 -7.239) 8.379 13.717 ( -12.938 0.872 4.204) 13.632 13.813 ( -12.840 3.722 0.601) 13.382 14.013 ( 0.490 -2.657 11.867) 12.171 14.777 ( 8.226 12.816 7.445) 16.951 14.892 ( 4.958 -4.074 3.773) 7.445 15.220 ( -5.652 -7.621 -3.322) 10.053 15.753 ( 4.980 -8.191 -6.986) 11.861 16.270 ( 30.324 4.702 -31.896) 44.260 18.248 ( -14.378 13.465 15.227) 24.897 18.556 ( 1.319 20.649 18.315) 27.633 19.033 ( -9.705 -2.379 8.709) 13.255 19.455 ( -19.623 -31.066 -2.321) 36.818 19.641 ( 11.125 -5.091 -1.117) 12.286 20.078 ( 6.764 13.596 -7.502) 16.937 20.744 ( 21.061 -18.489 -31.742) 42.343 21.283 ( 5.896 -0.503 -15.800) 16.872 22.722 ( -11.381 7.468 25.475) 28.884 23.454 ( -1.016 0.870 -0.189) 1.351 ======================= Grid point 71 (24/84) ======================= q-point: ( 0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( 21.481 -12.230 12.666) 27.775 1.764 ( 25.223 -19.645 13.493) 34.701 2.084 ( 19.398 -0.403 1.243) 19.442 2.463 ( 9.518 1.950 -6.941) 11.941 2.969 ( -2.922 -15.250 14.892) 21.514 3.000 ( 11.104 -14.316 16.239) 24.330 3.294 ( -9.944 -19.222 -0.610) 21.650 3.423 ( -7.606 0.862 6.559) 10.080 3.760 ( -9.319 1.061 3.166) 9.899 4.132 ( 2.401 0.139 2.512) 3.477 4.341 ( 2.530 10.924 -18.304) 21.465 4.451 ( -0.283 8.542 -5.679) 10.262 4.672 ( -8.420 3.345 2.137) 9.309 4.729 ( -1.335 -4.696 0.999) 4.984 4.898 ( -3.102 10.219 5.707) 12.109 5.045 ( -5.558 8.555 8.750) 13.440 5.511 ( 2.338 9.266 22.171) 24.142 5.804 ( -2.073 -8.334 3.406) 9.239 6.066 ( 13.948 8.897 -13.887) 21.600 6.262 ( 4.185 14.461 -6.041) 16.221 6.397 ( 9.483 7.791 -9.567) 15.562 6.673 ( 3.172 3.221 -5.467) 7.094 6.807 ( 2.318 -12.323 -7.821) 14.778 7.132 ( -6.574 -10.700 2.933) 12.896 7.499 ( 3.292 -1.681 0.075) 3.697 7.513 ( 0.879 -1.171 -8.245) 8.374 7.891 ( 8.922 -19.071 -2.782) 21.237 8.097 ( 0.828 -2.874 -7.936) 8.481 8.534 ( -11.567 9.760 9.473) 17.855 8.684 ( 7.201 -0.331 -8.250) 10.956 8.905 ( -0.651 3.520 3.800) 5.220 9.109 ( -7.764 5.027 10.212) 13.778 9.231 ( -8.147 5.735 6.827) 12.078 9.716 ( -18.712 -19.585 3.992) 27.379 9.766 ( -9.027 14.056 3.838) 17.140 10.034 ( 5.571 -2.603 0.398) 6.162 10.152 ( -7.389 0.936 0.006) 7.449 10.215 ( 2.326 -13.949 0.251) 14.143 10.684 ( 4.430 -2.900 -9.135) 10.558 10.752 ( -1.700 -2.533 -5.720) 6.482 10.896 ( -1.353 0.364 3.439) 3.713 11.045 ( -1.906 0.511 -2.301) 3.031 11.251 ( 6.425 2.252 6.841) 9.652 11.386 ( -2.580 -7.585 13.473) 15.676 11.956 ( 3.271 2.673 3.667) 5.594 12.696 ( 8.167 15.658 1.863) 17.758 13.008 ( -7.471 5.630 0.052) 9.355 13.222 ( -5.856 1.004 -3.828) 7.068 13.467 ( -14.015 6.140 -0.143) 15.301 13.581 ( -8.722 1.590 -7.244) 11.448 14.073 ( 2.319 -3.239 9.099) 9.933 14.847 ( 7.538 1.273 2.721) 8.114 15.040 ( 5.630 -4.891 4.421) 8.670 15.218 ( 0.589 1.320 -3.374) 3.670 15.965 ( 7.189 -8.509 -6.825) 13.064 16.472 ( 8.975 9.503 -19.713) 23.652 17.956 ( -8.328 5.365 11.135) 14.904 18.388 ( 1.799 13.718 11.972) 18.296 18.934 ( -6.316 -3.354 9.541) 11.924 19.482 ( -12.348 -19.627 -1.804) 23.258 19.820 ( 7.544 6.990 -8.245) 13.182 20.048 ( 5.561 4.081 2.645) 7.387 21.058 ( 3.658 -7.051 -28.021) 29.125 21.426 ( 7.124 -2.768 -13.433) 15.455 22.548 ( -3.856 1.980 25.116) 25.487 23.418 ( -1.395 1.432 -0.010) 1.999 ======================= Grid point 72 (25/84) ======================= q-point: ( 0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( 11.496 -0.398 4.169) 12.236 2.276 ( 0.181 -7.147 5.868) 9.249 2.412 ( 20.174 -11.756 7.779) 24.611 2.565 ( -4.534 -5.907 1.999) 7.711 2.644 ( -6.821 -6.936 6.736) 11.833 3.202 ( -9.668 7.322 10.227) 15.864 3.310 ( 1.225 -9.810 -1.684) 10.029 3.633 ( 3.579 -5.387 -4.969) 8.156 3.845 ( 0.285 -11.390 -5.723) 12.751 4.192 ( -1.960 7.207 -6.598) 9.965 4.277 ( 8.921 5.486 7.591) 12.935 4.406 ( 12.732 -4.838 4.218) 14.259 4.494 ( -10.910 -3.411 -0.784) 11.458 4.774 ( 2.602 11.162 8.303) 14.153 4.786 ( -3.491 -7.140 3.113) 8.536 4.880 ( 0.493 5.445 1.021) 5.562 5.467 ( 5.168 8.165 17.875) 20.320 5.732 ( -3.732 7.716 1.946) 8.789 6.128 ( 4.957 9.397 -1.007) 10.672 6.240 ( 0.086 1.976 -2.578) 3.249 6.468 ( 7.406 5.775 -6.506) 11.425 6.667 ( -0.738 0.430 -7.186) 7.237 6.917 ( -2.775 -10.677 -0.845) 11.064 7.146 ( -2.708 -2.076 0.298) 3.425 7.474 ( -1.262 -2.576 -3.312) 4.382 7.638 ( 3.839 -3.453 -8.190) 9.682 8.058 ( -2.670 -0.629 -11.672) 11.990 8.169 ( 0.730 -2.095 -0.358) 2.247 8.412 ( 2.131 -6.530 -3.347) 7.641 8.800 ( 6.887 2.267 -4.123) 8.340 8.881 ( -1.864 -2.559 0.953) 3.306 8.961 ( -4.746 -0.221 8.329) 9.589 9.046 ( -4.353 7.012 8.446) 11.809 9.440 ( -7.648 14.769 4.620) 17.261 9.638 ( -10.821 -9.985 3.440) 15.120 10.045 ( -4.116 0.128 -0.398) 4.137 10.145 ( 3.902 -1.018 -0.321) 4.045 10.373 ( -0.303 -8.025 -3.535) 8.774 10.741 ( -0.191 -2.287 -4.215) 4.799 10.798 ( 3.503 -1.976 -3.513) 5.340 10.901 ( 1.373 0.409 2.032) 2.486 10.990 ( -4.310 -0.018 -1.328) 4.510 11.347 ( 7.241 1.618 8.734) 11.460 11.458 ( -3.269 -12.036 11.796) 17.167 11.967 ( 5.852 7.668 5.588) 11.148 12.671 ( 4.745 7.260 -0.196) 8.675 12.850 ( -4.588 5.453 -0.482) 7.143 13.027 ( -10.267 2.608 1.938) 10.769 13.221 ( -7.426 4.726 -1.970) 9.020 13.451 ( -5.216 -0.462 -11.689) 12.808 14.152 ( 2.277 -2.405 6.224) 7.051 14.953 ( 4.111 -1.339 2.914) 5.214 15.180 ( 5.004 -1.457 4.031) 6.589 15.204 ( -0.077 0.510 -5.401) 5.425 16.169 ( 6.759 -4.890 -6.935) 10.849 16.445 ( 0.378 6.055 -12.031) 13.474 17.803 ( -4.271 2.674 8.065) 9.510 18.290 ( 1.042 6.706 9.453) 11.637 18.888 ( -2.940 -1.747 10.272) 10.827 19.513 ( -9.033 -15.801 -2.256) 18.340 19.754 ( 5.059 16.197 -10.597) 20.006 20.149 ( 4.012 -2.636 6.695) 8.238 21.146 ( 1.064 -2.587 -26.407) 26.555 21.550 ( 3.499 -2.284 -11.047) 11.811 22.502 ( -0.915 0.146 22.630) 22.649 23.381 ( -0.980 1.059 0.183) 1.455 ======================= Grid point 73 (26/84) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( -0.000 -0.000 1.285) 1.285 2.205 ( 0.000 -0.000 7.387) 7.387 2.566 ( 0.000 -0.000 3.594) 3.594 2.731 ( 0.000 -0.000 5.859) 5.859 2.835 ( -0.000 0.000 16.325) 16.325 2.926 ( 0.000 -0.000 4.898) 4.898 3.387 ( 0.000 -0.000 -4.784) 4.784 3.719 ( 0.000 -0.000 -10.117) 10.117 3.835 ( 0.000 0.000 -9.877) 9.877 4.093 ( 0.000 -0.000 0.073) 0.073 4.321 ( 0.000 -0.000 -5.703) 5.703 4.367 ( -0.000 -0.000 -4.550) 4.550 4.690 ( 0.000 0.000 12.451) 12.451 4.705 ( -0.000 -0.000 10.411) 10.411 4.859 ( 0.000 0.000 16.184) 16.184 4.886 ( -0.000 -0.000 -4.956) 4.956 5.465 ( 0.000 -0.000 8.007) 8.007 5.625 ( 0.000 -0.000 7.440) 7.440 6.109 ( -0.000 -0.000 3.825) 3.825 6.163 ( 0.000 -0.000 3.531) 3.531 6.500 ( 0.000 0.000 -7.642) 7.642 6.649 ( 0.000 -0.000 -6.247) 6.247 6.993 ( 0.000 -0.000 -1.096) 1.096 7.105 ( 0.000 -0.000 -0.521) 0.521 7.488 ( 0.000 -0.000 -3.117) 3.117 7.713 ( 0.000 -0.000 -13.159) 13.159 8.009 ( 0.000 -0.000 -6.843) 6.843 8.179 ( 0.000 -0.000 -6.056) 6.056 8.510 ( 0.000 -0.000 -4.277) 4.277 8.851 ( 0.000 -0.000 3.432) 3.432 8.883 ( 0.000 -0.000 -7.638) 7.638 8.926 ( -0.000 -0.000 7.656) 7.656 8.980 ( 0.000 -0.000 8.786) 8.786 9.243 ( 0.000 -0.000 5.856) 5.856 9.604 ( 0.000 -0.000 3.434) 3.434 10.011 ( 0.000 -0.000 -0.196) 0.196 10.181 ( 0.000 -0.000 -1.999) 1.999 10.412 ( 0.000 -0.000 -4.791) 4.791 10.750 ( 0.000 -0.000 -1.277) 1.277 10.884 ( 0.000 -0.000 0.590) 0.590 10.912 ( -0.000 -0.000 -2.403) 2.403 10.915 ( 0.000 0.000 1.345) 1.345 11.409 ( 0.000 -0.000 10.448) 10.448 11.517 ( 0.000 -0.000 9.936) 9.936 11.978 ( 0.000 -0.000 4.685) 4.685 12.681 ( -0.000 -0.000 -0.973) 0.973 12.724 ( 0.000 -0.000 2.893) 2.893 12.946 ( 0.000 -0.000 -1.543) 1.543 13.113 ( 0.000 -0.000 -0.673) 0.673 13.412 ( 0.000 0.000 -12.534) 12.534 14.188 ( 0.000 -0.000 5.264) 5.264 14.999 ( 0.000 -0.000 4.506) 4.506 15.186 ( 0.000 0.000 -4.413) 4.413 15.247 ( 0.000 -0.000 0.558) 0.558 16.277 ( 0.000 -0.000 -6.998) 6.998 16.389 ( 0.000 -0.000 -9.521) 9.521 17.750 ( 0.000 -0.000 7.411) 7.411 18.260 ( 0.000 -0.000 8.627) 8.627 18.873 ( -0.000 -0.000 10.500) 10.500 19.540 ( 0.000 0.000 -2.092) 2.092 19.685 ( -0.000 -0.000 -10.380) 10.380 20.201 ( 0.000 -0.000 6.669) 6.669 21.170 ( 0.000 -0.000 -26.231) 26.231 21.594 ( 0.000 -0.000 -10.315) 10.315 22.495 ( 0.000 -0.000 21.826) 21.826 23.366 ( 0.000 -0.000 0.281) 0.281 ======================= Grid point 79 (27/84) ======================= q-point: ( 0.12 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 31.693 0.000 15.944) 35.478 1.455 ( 30.832 0.000 13.749) 33.758 2.081 ( 19.839 0.000 0.878) 19.858 2.540 ( 30.075 0.000 17.281) 34.687 2.661 ( 23.736 0.000 -1.097) 23.761 2.946 ( -26.505 -0.000 7.476) 27.539 3.006 ( -15.605 -0.000 2.545) 15.811 3.440 ( -3.751 -0.000 1.356) 3.988 3.775 ( -13.486 -0.000 15.748) 20.733 4.143 ( 3.402 0.000 -6.537) 7.369 4.429 ( 0.471 0.000 -22.798) 22.803 4.592 ( -6.580 -0.000 -2.169) 6.928 4.597 ( -4.810 -0.000 0.639) 4.853 4.778 ( -10.425 -0.000 10.950) 15.119 5.105 ( -1.763 -0.000 4.316) 4.662 5.342 ( 16.087 0.000 5.746) 17.083 5.382 ( -12.738 -0.000 0.485) 12.747 5.633 ( -0.112 -0.000 22.426) 22.426 6.334 ( 11.118 0.000 -28.937) 31.000 6.403 ( 7.781 0.000 -5.749) 9.674 6.585 ( 8.230 0.000 -12.142) 14.669 6.590 ( 5.572 0.000 -6.918) 8.883 6.832 ( -16.407 -0.000 3.560) 16.788 6.848 ( 5.161 0.000 -5.987) 7.905 7.416 ( 6.244 0.000 -3.622) 7.218 7.549 ( -3.221 -0.000 -3.783) 4.969 7.584 ( 16.097 0.000 5.070) 16.876 8.060 ( 3.447 0.000 -10.605) 11.152 8.666 ( 6.718 0.000 -9.138) 11.341 8.811 ( -22.720 -0.000 38.637) 44.822 8.859 ( -9.828 -0.000 -10.254) 14.203 9.203 ( -9.502 -0.000 11.786) 15.139 9.259 ( -15.850 -0.000 7.049) 17.346 9.449 ( 10.212 0.000 1.032) 10.264 9.892 ( -0.239 -0.000 -3.221) 3.230 9.966 ( -6.839 -0.000 2.544) 7.296 10.062 ( 7.468 0.000 5.857) 9.491 10.158 ( -8.990 -0.000 0.875) 9.032 10.639 ( 2.991 0.000 -9.730) 10.180 10.719 ( -0.657 -0.000 -6.446) 6.479 10.906 ( 0.375 0.000 2.650) 2.676 11.062 ( -2.074 -0.000 -2.558) 3.293 11.247 ( -1.698 -0.000 15.479) 15.572 11.328 ( 4.308 0.000 7.294) 8.471 11.978 ( 5.569 0.000 2.122) 5.959 12.968 ( 0.468 0.000 -2.467) 2.511 13.070 ( -11.127 -0.000 4.412) 11.970 13.231 ( -3.254 -0.000 -9.347) 9.897 13.546 ( -8.604 -0.000 1.132) 8.678 13.568 ( -16.669 -0.000 -2.404) 16.841 14.011 ( 2.523 0.000 9.017) 9.364 14.862 ( -0.764 -0.000 -1.562) 1.739 14.976 ( 8.311 0.000 5.190) 9.799 15.320 ( 9.956 0.000 0.920) 9.998 15.789 ( 6.154 0.000 -6.245) 8.768 16.624 ( 7.588 0.000 -29.924) 30.871 18.057 ( -14.958 -0.000 14.939) 21.140 18.727 ( 1.004 0.000 19.449) 19.475 18.796 ( -11.650 -0.000 5.128) 12.729 19.002 ( -7.297 -0.000 0.505) 7.314 19.837 ( 12.460 0.000 3.649) 12.983 20.367 ( 9.274 0.000 -5.510) 10.787 20.874 ( 8.488 0.000 -33.917) 34.963 21.384 ( 5.772 0.000 -13.967) 15.113 22.584 ( -7.106 -0.000 26.403) 27.342 23.436 ( -1.728 -0.000 -0.266) 1.748 ======================= Grid point 80 (28/84) ======================= q-point: ( 0.25 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( 23.722 -2.930 8.267) 25.292 2.036 ( 23.557 -6.322 11.996) 27.181 2.359 ( 10.780 1.582 -1.113) 10.952 2.476 ( -14.270 -5.648 3.692) 15.785 2.597 ( 0.050 10.027 -3.696) 10.686 2.975 ( 1.062 -15.907 -3.119) 16.245 3.335 ( 14.134 -6.999 10.612) 19.010 3.356 ( 3.795 1.571 4.984) 6.459 3.746 ( 9.533 -0.854 16.299) 18.902 4.172 ( 1.648 -1.003 -1.907) 2.713 4.414 ( -9.282 2.810 -1.412) 9.800 4.435 ( 1.842 1.648 -16.769) 16.951 4.510 ( -10.986 -0.905 3.183) 11.473 4.618 ( -5.251 -2.507 7.097) 9.177 5.003 ( -6.135 3.310 5.138) 8.660 5.112 ( -0.939 14.227 2.447) 14.467 5.565 ( -4.707 -4.564 16.490) 17.746 5.736 ( 11.322 0.077 8.434) 14.118 6.376 ( -0.106 9.934 -14.479) 17.560 6.424 ( -5.639 7.308 1.318) 9.324 6.538 ( -1.501 -4.423 -7.234) 8.611 6.669 ( 3.322 3.099 -5.648) 7.248 6.730 ( 0.672 -2.533 -9.839) 10.182 7.012 ( 8.596 -7.023 -2.048) 11.287 7.447 ( -6.407 0.134 -1.436) 6.567 7.559 ( 6.305 -2.644 -9.563) 11.756 7.909 ( 12.936 -8.373 0.248) 15.411 8.083 ( -1.328 -1.164 -7.994) 8.187 8.461 ( -9.143 8.156 9.785) 15.680 8.740 ( -12.105 -9.138 2.040) 15.304 8.785 ( 4.283 -1.504 -9.172) 10.234 8.987 ( -10.327 1.375 9.531) 14.120 9.084 ( -10.872 -4.463 9.392) 15.044 9.602 ( 12.993 9.454 0.269) 16.071 9.754 ( -7.322 6.920 3.304) 10.602 10.019 ( -6.387 -1.549 -0.168) 6.574 10.092 ( 9.008 -7.022 -3.005) 11.810 10.185 ( 5.189 -3.541 1.885) 6.558 10.661 ( -0.606 -2.489 -6.825) 7.290 10.763 ( 4.968 -0.817 -5.358) 7.352 10.914 ( -0.904 0.698 2.175) 2.457 10.998 ( -4.585 0.393 -1.158) 4.745 11.227 ( -2.282 -4.463 14.375) 15.224 11.408 ( 4.559 1.200 9.041) 10.197 12.095 ( 9.229 2.364 3.650) 10.202 12.871 ( -3.426 7.125 1.596) 8.066 12.954 ( -2.687 2.216 -1.308) 3.720 13.082 ( -14.064 1.586 1.441) 14.226 13.316 ( -10.450 3.260 -3.238) 11.416 13.398 ( -9.023 -3.485 -8.793) 13.072 14.082 ( 3.393 -2.361 5.711) 7.050 14.895 ( 2.553 -1.973 -2.462) 4.059 15.111 ( 6.022 -1.562 4.082) 7.441 15.389 ( 5.658 9.387 0.931) 11.000 15.961 ( 5.732 -9.669 -6.107) 12.792 16.611 ( -2.873 5.357 -19.446) 20.374 17.831 ( -10.249 1.040 11.924) 15.758 18.537 ( -3.744 10.906 7.264) 13.628 18.804 ( -1.257 -4.557 12.224) 13.106 18.990 ( -9.623 -16.947 0.598) 19.498 20.033 ( 9.474 -0.647 4.069) 10.331 20.392 ( 10.053 19.633 -7.738) 23.375 21.023 ( 2.660 -7.561 -28.434) 29.542 21.474 ( 2.898 -2.727 -11.170) 11.858 22.510 ( -1.791 0.331 23.806) 23.876 23.400 ( -1.950 0.446 -0.068) 2.001 ======================= Grid point 81 (29/84) ======================= q-point: ( 0.38 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( 6.017 -1.972 8.767) 10.815 2.270 ( 9.409 12.524 1.309) 15.719 2.511 ( 2.862 -5.057 0.157) 5.813 2.602 ( 7.884 -1.532 2.367) 8.373 2.691 ( 18.848 -7.351 5.544) 20.976 3.192 ( -3.367 10.938 10.486) 15.522 3.269 ( 10.346 -11.032 -4.434) 15.761 3.671 ( 9.325 -9.933 -5.012) 14.517 3.754 ( -5.463 6.398 -4.790) 9.681 4.183 ( -8.105 6.071 6.397) 11.978 4.244 ( -11.010 -2.943 -3.744) 11.996 4.389 ( 2.941 -1.761 -2.365) 4.165 4.541 ( 1.454 -7.336 -1.571) 7.642 4.702 ( 7.294 -10.060 13.834) 18.595 4.842 ( -2.931 6.119 10.051) 12.127 5.005 ( 1.854 7.679 -0.213) 7.902 5.498 ( -10.362 -3.604 7.782) 13.451 5.719 ( -3.386 10.614 10.479) 15.295 6.111 ( -12.794 2.210 4.373) 13.700 6.324 ( 1.084 9.673 -1.761) 9.892 6.526 ( -7.724 1.770 -8.960) 11.961 6.721 ( 3.937 4.645 -5.573) 8.254 6.773 ( 2.642 -12.414 0.212) 12.694 7.226 ( 8.517 4.450 -4.388) 10.564 7.394 ( 0.294 -6.536 -2.619) 7.047 7.675 ( 4.613 -1.678 -10.333) 11.440 7.998 ( -5.006 -0.032 -9.201) 10.474 8.182 ( 3.339 -1.763 -1.685) 4.134 8.362 ( 1.250 -7.231 -3.300) 8.046 8.667 ( -11.084 -11.945 8.230) 18.256 8.810 ( -3.353 -3.273 -2.885) 5.503 8.868 ( -4.919 -2.400 6.398) 8.420 9.022 ( 1.281 1.517 3.493) 4.018 9.477 ( -6.222 11.880 2.379) 13.620 9.764 ( 16.483 11.966 1.884) 20.456 9.971 ( -2.130 -2.828 -0.861) 3.644 10.203 ( 2.819 1.445 -2.328) 3.932 10.399 ( 10.002 -2.804 -3.550) 10.978 10.708 ( 1.493 -3.688 -2.790) 4.860 10.867 ( -2.807 -1.731 1.483) 3.615 10.882 ( 5.815 -0.254 -1.050) 5.915 10.916 ( -4.313 -0.652 0.485) 4.389 11.267 ( -3.866 -9.104 8.124) 12.799 11.459 ( 4.125 0.596 13.486) 14.115 12.185 ( 6.589 9.227 3.252) 11.795 12.718 ( -11.146 3.504 0.794) 11.711 12.790 ( -2.758 4.528 2.495) 5.859 12.947 ( -2.899 0.047 -2.136) 3.601 13.104 ( -8.948 -1.141 -0.750) 9.051 13.371 ( -0.641 -2.911 -11.086) 11.479 14.157 ( 1.678 -2.065 4.337) 5.088 14.954 ( 0.532 -2.044 -0.208) 2.122 15.213 ( 3.551 -1.888 0.052) 4.023 15.331 ( 1.720 9.373 0.929) 9.575 16.154 ( 2.155 -9.160 -6.729) 11.569 16.461 ( -6.057 4.764 -12.485) 14.672 17.691 ( -7.439 -2.921 9.602) 12.493 18.381 ( -1.760 7.654 7.273) 10.704 18.837 ( 0.055 -2.958 9.422) 9.875 19.041 ( -9.649 -18.507 0.381) 20.875 20.152 ( 7.035 4.911 1.270) 8.673 20.309 ( 9.685 20.008 -5.457) 22.888 21.126 ( 1.196 -4.143 -26.571) 26.919 21.541 ( 0.152 -3.709 -9.836) 10.514 22.498 ( 0.235 0.140 22.109) 22.110 23.367 ( -1.447 0.064 0.247) 1.470 ======================= Grid point 82 (30/84) ======================= q-point: (-0.50 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( 0.361 12.794 -1.202) 12.855 2.336 ( -3.651 1.543 2.238) 4.552 2.610 ( 15.862 -2.866 7.947) 17.972 2.740 ( 0.921 7.466 -0.150) 7.524 2.936 ( -0.899 10.249 7.291) 12.610 3.062 ( 12.369 1.063 12.260) 17.448 3.380 ( -5.167 2.093 -4.027) 6.877 3.661 ( 4.345 -2.811 -4.015) 6.550 3.968 ( -1.334 -3.861 -0.658) 4.138 4.015 ( 10.176 1.885 -5.460) 11.701 4.147 ( -5.835 -5.791 -7.739) 11.291 4.502 ( 6.148 -3.675 -4.447) 8.431 4.555 ( -6.092 -6.030 6.132) 10.539 4.708 ( -4.570 2.917 9.652) 11.071 4.890 ( -1.635 8.056 16.375) 18.322 4.957 ( 1.775 5.199 -1.314) 5.649 5.291 ( -16.121 -5.692 10.624) 20.129 5.507 ( -8.462 -0.028 1.696) 8.630 5.899 ( -12.613 -7.700 3.556) 15.199 6.343 ( -12.353 -2.636 -5.494) 13.775 6.368 ( 11.595 7.345 5.312) 14.717 6.698 ( -0.660 3.319 -4.686) 5.780 6.955 ( 3.054 -7.273 0.549) 7.908 7.249 ( 5.325 4.918 -4.670) 8.623 7.499 ( 2.719 0.062 -0.939) 2.877 7.737 ( -1.589 3.580 -10.301) 11.021 7.948 ( 0.885 -7.310 -6.684) 9.944 8.188 ( -0.220 0.397 -7.264) 7.278 8.514 ( 3.063 -3.259 -4.242) 6.164 8.634 ( -9.146 -9.656 9.885) 16.571 8.798 ( -2.955 -4.734 -4.021) 6.878 8.920 ( 2.748 -8.038 4.705) 9.711 9.046 ( 5.206 3.280 5.110) 7.998 9.269 ( -2.118 6.933 4.647) 8.611 9.912 ( 16.703 10.656 -0.593) 19.822 10.007 ( 3.226 -1.597 -0.186) 3.605 10.194 ( -0.923 3.062 -0.674) 3.268 10.534 ( 8.255 4.888 -2.416) 9.893 10.749 ( -0.638 -0.908 -2.124) 2.396 10.834 ( -1.815 0.412 -1.237) 2.235 10.867 ( -2.200 -2.699 2.220) 4.129 11.003 ( 6.503 0.958 0.263) 6.578 11.265 ( -7.232 -5.913 2.818) 9.757 11.581 ( 6.557 -4.786 15.610) 17.595 12.008 ( -7.642 14.595 3.803) 16.908 12.553 ( -9.297 -3.063 -0.417) 9.797 12.752 ( -1.192 -1.943 -0.995) 2.487 12.960 ( 6.827 -2.940 1.403) 7.564 13.107 ( 2.756 -4.379 -1.013) 5.272 13.417 ( 1.497 -3.109 -10.012) 10.590 14.176 ( -1.070 -0.224 4.778) 4.901 14.940 ( -4.385 -0.799 2.999) 5.372 15.244 ( -1.124 5.637 2.104) 6.121 15.277 ( 3.963 1.686 -5.527) 7.007 16.183 ( -7.114 -2.119 -7.546) 10.585 16.363 ( -3.013 -1.766 -9.483) 10.106 17.655 ( -4.359 -7.922 8.456) 12.380 18.287 ( -0.696 4.728 8.687) 9.915 18.882 ( 1.380 -2.634 7.573) 8.136 19.105 ( -9.486 -19.265 -0.366) 21.477 20.162 ( 9.582 14.703 -4.163) 18.037 20.262 ( 7.030 12.636 -0.312) 14.464 21.166 ( 0.192 -0.852 -26.218) 26.232 21.553 ( -3.076 -1.938 -10.057) 10.694 22.505 ( 0.822 0.304 21.862) 21.879 23.355 ( -0.477 -0.993 0.469) 1.198 ======================= Grid point 83 (31/84) ======================= q-point: (-0.38 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( -8.218 13.784 3.423) 16.408 2.092 ( -19.201 0.286 1.262) 19.245 2.324 ( -15.881 24.151 8.803) 30.216 2.661 ( -10.581 17.397 -1.869) 20.447 3.031 ( 18.855 0.692 4.979) 19.513 3.272 ( 2.304 -6.007 6.891) 9.427 3.403 ( 9.322 -5.098 10.865) 15.197 3.750 ( 8.353 6.714 -5.324) 11.966 3.960 ( -1.271 -4.902 -2.681) 5.730 4.039 ( -6.628 24.324 0.630) 25.218 4.176 ( -0.376 1.575 -1.153) 1.988 4.381 ( -6.395 6.566 -5.850) 10.873 4.546 ( 2.045 -8.637 10.613) 13.835 4.739 ( 6.699 3.233 -3.642) 8.282 4.781 ( 1.407 -12.778 7.859) 15.067 4.934 ( 4.310 5.906 3.891) 8.283 5.222 ( -7.073 -13.835 19.077) 24.605 5.530 ( -6.352 -17.495 -2.141) 18.735 5.857 ( -7.866 -12.995 -4.026) 15.715 6.184 ( -11.089 -3.637 -6.234) 13.231 6.368 ( 0.623 10.186 3.288) 10.721 6.617 ( -6.598 -0.536 -4.146) 7.811 7.024 ( -0.760 3.542 -2.858) 4.614 7.297 ( 4.964 1.730 -0.938) 5.340 7.500 ( -0.303 1.943 2.242) 2.982 7.607 ( -3.491 4.834 -6.682) 8.956 8.137 ( 7.337 -2.038 -11.980) 14.195 8.207 ( 3.416 0.570 -0.595) 3.514 8.447 ( -3.612 5.833 -5.463) 8.770 8.618 ( -3.910 -4.490 5.712) 8.250 8.804 ( -4.553 -4.518 -4.679) 7.939 9.030 ( 3.854 -1.623 7.274) 8.390 9.155 ( 11.027 -0.713 8.482) 13.930 9.366 ( 5.796 -14.879 6.245) 17.145 10.053 ( 9.151 4.706 -3.320) 10.813 10.080 ( -1.839 0.032 1.417) 2.322 10.149 ( 9.554 6.063 2.016) 11.494 10.535 ( 1.561 10.198 -1.782) 10.469 10.720 ( -2.925 0.883 -5.805) 6.560 10.819 ( 1.690 1.823 -3.485) 4.281 10.888 ( 3.855 -0.572 5.900) 7.071 11.074 ( 4.166 2.663 -1.366) 5.130 11.183 ( -7.668 -2.365 0.604) 8.048 11.659 ( 1.787 13.170 11.731) 17.728 11.813 ( -2.304 -7.758 8.020) 11.394 12.417 ( -13.624 -6.887 -0.006) 15.266 12.829 ( 2.783 -8.435 -1.985) 9.101 13.173 ( 9.395 -2.879 1.444) 9.932 13.278 ( 9.330 -8.985 -0.569) 12.965 13.490 ( 1.784 -4.778 -8.735) 10.114 14.131 ( -2.861 1.705 6.825) 7.594 14.827 ( -8.960 0.447 4.324) 9.958 15.155 ( -2.498 4.304 3.104) 5.865 15.320 ( 7.534 6.367 -7.494) 12.388 16.060 ( -7.807 -0.480 -7.905) 11.121 16.307 ( -8.815 -3.292 -10.681) 14.234 17.737 ( -0.665 -12.869 7.916) 15.124 18.240 ( -0.589 1.380 11.429) 11.527 18.950 ( 2.996 -2.539 6.577) 7.660 19.174 ( -10.097 -19.877 -1.358) 22.336 20.122 ( 0.848 9.626 3.522) 10.285 20.261 ( 17.965 19.977 -9.741) 28.578 21.156 ( -0.737 1.836 -26.072) 26.147 21.474 ( -7.381 0.735 -11.506) 13.690 22.521 ( 1.416 -0.222 22.979) 23.024 23.374 ( 0.396 -2.070 0.479) 2.162 ======================= Grid point 84 (32/84) ======================= q-point: (-0.25 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( -11.324 19.889 12.124) 25.900 1.730 ( -13.259 29.001 11.274) 33.822 1.773 ( -15.839 1.499 2.960) 16.183 2.234 ( -18.702 9.527 -1.851) 21.071 2.976 ( -15.388 44.967 26.902) 54.613 3.221 ( 5.140 -0.717 9.316) 10.664 3.538 ( 2.842 2.097 2.406) 4.273 3.693 ( 7.721 3.118 3.078) 8.877 3.863 ( 3.798 -1.491 -1.986) 4.538 4.064 ( -2.970 -11.976 -11.425) 16.816 4.239 ( 10.799 1.200 2.778) 11.215 4.307 ( -3.447 -4.535 -15.060) 16.101 4.732 ( 1.612 -0.242 3.296) 3.677 4.823 ( 10.208 -3.734 5.314) 12.099 4.984 ( 4.352 -1.624 5.276) 7.029 5.001 ( 4.769 -6.157 6.913) 10.414 5.318 ( -2.827 -15.249 21.628) 26.614 5.615 ( -7.806 -16.314 -3.436) 18.409 5.939 ( -0.160 -11.817 -5.776) 13.154 6.074 ( -5.154 -4.523 -8.911) 11.244 6.229 ( -2.973 7.336 -0.489) 7.930 6.507 ( -9.106 -4.580 -4.661) 11.208 6.851 ( -6.884 10.275 -7.329) 14.377 7.351 ( 4.418 4.776 0.970) 6.578 7.424 ( -5.419 1.552 4.547) 7.242 7.538 ( 1.025 3.969 -7.894) 8.895 8.017 ( -5.661 21.764 -1.548) 22.541 8.172 ( 2.711 6.370 -10.053) 12.206 8.579 ( 4.044 -7.352 -3.602) 9.131 8.594 ( 0.608 -2.493 6.946) 7.405 8.782 ( -3.037 -7.542 -1.939) 8.359 9.158 ( 4.935 -5.963 10.664) 13.177 9.393 ( 12.835 -2.332 7.654) 15.125 9.677 ( 4.872 -18.567 4.500) 19.716 9.960 ( -4.498 3.404 2.463) 6.154 10.165 ( 3.869 1.002 -2.205) 4.565 10.244 ( 2.431 -0.922 1.169) 2.851 10.409 ( 2.995 14.805 -3.777) 15.570 10.660 ( 4.482 6.711 -8.534) 11.745 10.853 ( 3.649 2.432 -2.217) 4.914 11.013 ( 10.426 1.116 4.734) 11.505 11.055 ( -2.906 1.557 -5.172) 6.134 11.120 ( -0.071 -1.259 3.454) 3.677 11.514 ( -2.433 8.203 9.641) 12.890 11.910 ( 2.167 -4.092 6.175) 7.719 12.270 ( -17.492 -13.728 7.888) 23.594 13.014 ( 4.196 -10.585 -2.996) 11.774 13.314 ( 5.595 0.440 -3.308) 6.514 13.548 ( 4.025 -11.645 -0.883) 12.353 13.640 ( 7.863 -10.005 -2.752) 13.019 14.053 ( -3.237 2.379 9.958) 10.738 14.645 ( -10.450 1.067 6.481) 12.343 15.057 ( -1.426 6.526 3.124) 7.374 15.410 ( 14.749 8.601 -7.429) 18.620 15.930 ( -5.303 4.470 -8.204) 10.743 16.124 ( -19.175 -5.257 -14.743) 24.752 17.935 ( 2.964 -16.555 8.190) 18.707 18.235 ( -1.462 -3.412 16.007) 16.432 19.044 ( 4.724 -2.254 7.259) 8.950 19.243 ( -9.576 -20.108 -3.871) 22.606 19.966 ( -3.261 11.386 6.389) 13.457 20.387 ( 25.538 22.031 -17.240) 37.878 21.063 ( -6.994 8.083 -26.361) 28.446 21.302 ( -9.192 1.009 -14.081) 16.846 22.573 ( 2.582 -3.477 25.279) 25.647 23.412 ( 0.633 -2.492 0.357) 2.596 ======================= Grid point 85 (33/84) ======================= q-point: (-0.12 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -0.000 24.298 22.117) 32.857 1.231 ( -0.000 31.394 20.609) 37.555 1.622 ( -0.000 0.146 2.214) 2.219 1.917 ( -0.000 6.474 1.955) 6.763 2.172 ( -0.000 52.983 43.396) 68.487 3.282 ( 0.000 -2.159 10.945) 11.156 3.536 ( -0.000 2.592 -0.654) 2.673 3.702 ( -0.000 15.746 -2.422) 15.932 3.959 ( 0.000 -9.905 1.628) 10.038 4.169 ( 0.000 -19.668 -3.328) 19.948 4.343 ( 0.000 -4.342 -23.498) 23.896 4.422 ( 0.000 -3.208 -2.459) 4.042 4.682 ( -0.000 4.730 6.011) 7.648 4.961 ( -0.000 2.029 4.078) 4.555 4.999 ( -0.000 0.820 6.454) 6.506 5.140 ( 0.000 -9.484 10.396) 14.073 5.467 ( 0.000 -12.343 24.630) 27.549 5.691 ( 0.000 -10.667 -3.283) 11.161 6.042 ( -0.000 12.926 0.064) 12.926 6.118 ( 0.000 -11.054 -12.164) 16.436 6.217 ( 0.000 -20.118 -7.295) 21.400 6.460 ( 0.000 -3.275 -7.429) 8.119 6.631 ( -0.000 13.513 -11.096) 17.485 7.301 ( -0.000 9.959 0.841) 9.995 7.341 ( -0.000 2.481 7.111) 7.532 7.526 ( -0.000 1.319 -9.460) 9.551 7.671 ( -0.000 23.636 0.107) 23.636 8.098 ( -0.000 8.509 -9.732) 12.928 8.553 ( -0.000 1.478 -7.885) 8.022 8.759 ( 0.000 -15.410 24.806) 29.202 8.901 ( 0.000 -9.782 -11.037) 14.748 9.283 ( 0.000 -6.007 11.091) 12.614 9.547 ( 0.000 -1.421 7.642) 7.773 9.874 ( -0.000 2.756 2.967) 4.050 9.917 ( 0.000 -12.791 1.619) 12.893 10.207 ( 0.000 -3.667 -1.838) 4.102 10.238 ( -0.000 14.239 -2.661) 14.486 10.304 ( 0.000 -3.222 -0.857) 3.334 10.642 ( -0.000 13.555 -14.106) 19.563 10.845 ( -0.000 2.332 0.820) 2.472 11.032 ( 0.000 -1.514 -6.633) 6.804 11.071 ( 0.000 -1.403 -2.297) 2.692 11.245 ( -0.000 5.874 8.970) 10.722 11.392 ( 0.000 -0.920 4.804) 4.891 11.946 ( -0.000 3.021 -2.072) 3.663 12.287 ( 0.000 -27.026 28.391) 39.197 13.167 ( 0.000 -7.672 -6.709) 10.191 13.345 ( -0.000 1.895 -5.271) 5.602 13.770 ( 0.000 -16.432 0.515) 16.440 13.864 ( 0.000 -10.364 -0.341) 10.370 13.978 ( -0.000 2.638 13.051) 13.315 14.528 ( 0.000 -2.510 12.179) 12.435 14.948 ( -0.000 9.385 3.069) 9.874 15.621 ( -0.000 6.299 -5.111) 8.112 15.695 ( -0.000 6.446 -12.974) 14.487 15.884 ( -0.000 5.591 -17.441) 18.315 18.208 ( 0.000 -19.675 7.645) 21.108 18.282 ( 0.000 -10.634 23.760) 26.031 19.129 ( 0.000 -1.686 10.458) 10.594 19.375 ( 0.000 -18.132 -9.220) 20.341 19.795 ( -0.000 8.995 7.697) 11.839 20.527 ( -0.000 29.133 -46.967) 55.268 20.615 ( -0.000 20.161 -4.510) 20.660 21.228 ( 0.000 -0.404 -16.474) 16.479 22.693 ( 0.000 -11.018 25.872) 28.120 23.446 ( 0.000 -2.002 0.132) 2.006 ======================= Grid point 88 (34/84) ======================= q-point: ( 0.25 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 10.989 0.000 15.494) 18.995 2.421 ( 11.444 0.000 -2.053) 11.627 2.490 ( 11.521 0.000 -5.810) 12.903 2.514 ( 7.151 0.000 -0.357) 7.160 2.820 ( 8.431 0.000 -0.731) 8.462 2.921 ( 16.855 0.000 -0.523) 16.863 3.400 ( 5.793 0.000 3.143) 6.591 3.469 ( 6.779 0.000 1.881) 7.035 3.981 ( 6.482 0.000 9.455) 11.463 4.127 ( -4.203 -0.000 -4.161) 5.914 4.238 ( -12.148 -0.000 5.844) 13.480 4.389 ( -1.725 -0.000 1.844) 2.525 4.469 ( -8.341 -0.000 10.469) 13.385 4.502 ( 4.858 0.000 -7.849) 9.231 4.930 ( -3.733 -0.000 5.293) 6.477 5.154 ( -1.424 -0.000 1.284) 1.918 5.382 ( -12.454 -0.000 11.245) 16.780 5.899 ( -11.500 -0.000 14.042) 18.150 6.204 ( 5.158 0.000 3.067) 6.001 6.432 ( -7.736 -0.000 -4.541) 8.971 6.519 ( 4.227 0.000 -8.676) 9.651 6.609 ( -11.591 -0.000 -6.067) 13.083 6.794 ( 3.880 0.000 -4.202) 5.719 7.255 ( 20.078 0.000 -4.900) 20.667 7.316 ( -7.807 -0.000 -3.440) 8.532 7.655 ( 5.524 0.000 -9.565) 11.045 8.010 ( -5.343 -0.000 -9.249) 10.682 8.095 ( 13.034 0.000 1.574) 13.129 8.345 ( -18.757 -0.000 -3.940) 19.166 8.446 ( -2.631 -0.000 10.711) 11.029 8.767 ( -4.192 -0.000 -0.836) 4.275 8.839 ( -6.248 -0.000 8.436) 10.498 9.035 ( 3.897 0.000 0.957) 4.013 9.648 ( -7.345 -0.000 1.707) 7.541 9.918 ( -3.559 -0.000 -1.894) 4.031 10.015 ( 20.159 0.000 -2.552) 20.320 10.244 ( 15.008 0.000 -2.386) 15.196 10.245 ( 4.337 0.000 -0.436) 4.358 10.650 ( 1.345 0.000 -2.964) 3.255 10.854 ( -5.847 -0.000 6.656) 8.860 10.876 ( 8.232 0.000 -2.469) 8.594 10.902 ( -6.015 -0.000 -1.170) 6.128 11.161 ( -3.241 -0.000 7.483) 8.155 11.473 ( 2.516 0.000 13.161) 13.399 12.289 ( 10.551 0.000 2.081) 10.754 12.788 ( -18.234 -0.000 3.406) 18.549 12.875 ( 0.681 0.000 2.074) 2.183 12.953 ( -0.904 -0.000 -3.433) 3.550 13.062 ( -18.827 -0.000 -1.216) 18.866 13.324 ( -0.366 -0.000 -9.142) 9.149 14.125 ( 2.788 0.000 3.380) 4.382 14.929 ( 2.395 0.000 -3.428) 4.182 15.183 ( 3.475 0.000 2.915) 4.536 15.503 ( -0.370 -0.000 1.908) 1.944 15.980 ( 4.741 0.000 -7.107) 8.544 16.534 ( -8.740 -0.000 -15.716) 17.982 17.658 ( -10.105 -0.000 11.563) 15.356 18.502 ( -5.616 -0.000 5.715) 8.013 18.760 ( -6.223 -0.000 -0.671) 6.259 18.820 ( 3.391 0.000 13.724) 14.137 20.169 ( 6.952 0.000 5.755) 9.025 20.693 ( 9.253 0.000 -9.004) 12.911 20.998 ( 1.774 0.000 -29.079) 29.133 21.481 ( 0.395 0.000 -9.692) 9.700 22.500 ( 0.255 0.000 22.409) 22.411 23.368 ( -2.039 -0.000 0.212) 2.049 ======================= Grid point 89 (35/84) ======================= q-point: ( 0.38 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( -5.206 2.826 -1.959) 6.239 2.464 ( 8.349 -1.263 -0.170) 8.446 2.525 ( 10.209 5.413 1.805) 11.695 2.677 ( 2.300 -7.088 -3.030) 8.044 2.947 ( 12.061 3.553 9.837) 15.965 3.294 ( 4.331 3.181 0.174) 5.376 3.514 ( 25.542 1.630 1.422) 25.633 3.728 ( 1.526 9.709 -4.118) 10.656 3.827 ( 6.776 -1.399 -1.049) 6.997 3.998 ( -8.124 -2.406 -2.440) 8.817 4.200 ( -4.615 10.369 4.032) 12.045 4.284 ( -1.835 -13.298 3.526) 13.879 4.457 ( -3.699 -5.390 2.201) 6.898 4.611 ( -0.689 -9.047 2.336) 9.369 4.910 ( 3.076 1.251 10.998) 11.489 5.042 ( -13.787 2.439 0.871) 14.028 5.176 ( -9.685 -2.710 3.022) 10.501 5.621 ( -13.009 -2.342 16.315) 20.997 6.080 ( -10.093 21.835 0.666) 24.064 6.289 ( -16.580 0.517 -6.900) 17.966 6.551 ( 12.444 0.407 5.011) 13.421 6.668 ( 3.878 -8.652 -2.344) 9.767 6.819 ( 1.871 1.709 -0.443) 2.572 7.206 ( -7.158 -5.099 -5.683) 10.466 7.546 ( 10.182 2.188 -3.703) 11.053 7.730 ( 5.143 -2.022 -5.597) 7.865 7.888 ( -9.148 0.965 -6.367) 11.187 8.147 ( -2.720 -3.129 -6.456) 7.672 8.333 ( 8.911 -6.296 1.138) 10.970 8.458 ( -0.270 -4.067 3.544) 5.401 8.718 ( -2.611 -1.900 1.439) 3.535 8.778 ( -2.186 -2.487 7.634) 8.321 9.109 ( 5.252 1.394 0.490) 5.455 9.497 ( -4.706 7.545 0.759) 8.925 9.893 ( -1.761 -3.614 -2.972) 4.999 10.233 ( 11.045 7.839 -3.495) 13.988 10.290 ( 9.335 8.673 0.088) 12.743 10.574 ( 13.291 -3.589 -2.793) 14.047 10.676 ( -2.476 -5.252 0.011) 5.807 10.786 ( -1.422 -1.804 6.856) 7.231 10.822 ( -3.006 -1.110 -0.200) 3.211 11.024 ( 8.917 0.587 -0.861) 8.978 11.113 ( -3.913 -3.744 0.647) 5.455 11.512 ( 2.420 -0.750 17.057) 17.245 12.346 ( -3.289 9.710 1.112) 10.312 12.507 ( -11.625 -0.913 -0.104) 11.661 12.740 ( -14.500 -0.311 -0.799) 14.526 12.918 ( 5.975 0.500 1.243) 6.123 13.012 ( 3.059 -3.709 0.071) 4.808 13.333 ( -0.499 -2.708 -7.324) 7.824 14.160 ( 0.535 -0.652 3.057) 3.172 14.945 ( -0.726 0.799 -1.836) 2.130 15.243 ( 2.697 -2.015 -0.152) 3.370 15.414 ( -3.828 5.633 1.442) 6.962 16.081 ( 1.033 -4.857 -8.530) 9.870 16.365 ( -8.793 1.172 -11.801) 14.763 17.514 ( -8.449 -3.070 11.024) 14.224 18.407 ( -2.561 3.575 7.055) 8.313 18.709 ( -5.510 -6.978 -2.272) 9.177 18.889 ( 2.505 -2.218 11.989) 12.447 20.257 ( 4.027 1.157 6.088) 7.391 20.722 ( 9.510 16.267 -12.721) 22.735 21.087 ( 1.656 -6.117 -26.498) 27.246 21.489 ( -1.525 -2.290 -9.107) 9.514 22.512 ( 1.078 0.188 21.732) 21.759 23.338 ( -1.546 -0.388 0.641) 1.718 ======================= Grid point 90 (36/84) ======================= q-point: (-0.50 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( -19.484 -0.502 -0.728) 19.504 2.238 ( -12.109 11.415 -2.382) 16.811 2.695 ( -6.629 -2.352 -1.521) 7.197 2.890 ( 1.349 -7.599 5.821) 9.667 3.087 ( 7.108 8.302 2.410) 11.192 3.190 ( 5.156 9.432 4.645) 11.710 3.400 ( 1.981 16.932 11.139) 20.364 3.910 ( 5.953 2.211 -5.454) 8.371 3.970 ( 4.149 3.630 -2.258) 5.957 4.039 ( 12.795 -4.652 -3.334) 14.016 4.267 ( 0.427 -2.693 -7.135) 7.638 4.349 ( 8.120 -8.988 0.991) 12.153 4.475 ( -2.667 -6.585 7.665) 10.451 4.657 ( -2.304 -1.991 3.127) 4.365 4.823 ( -11.995 -14.037 4.458) 18.994 4.993 ( 4.059 1.207 4.722) 6.343 5.103 ( 3.024 5.929 11.322) 13.133 5.435 ( -11.206 17.336 2.810) 20.832 5.608 ( -13.795 -0.432 4.937) 14.658 6.056 ( -12.403 -5.586 -6.030) 14.879 6.633 ( 1.531 8.232 4.210) 9.372 6.655 ( -7.389 2.950 -2.887) 8.464 6.970 ( 9.162 -5.130 2.818) 10.872 7.197 ( -6.483 -9.311 -2.789) 11.684 7.585 ( -0.864 2.840 2.331) 3.774 7.684 ( -3.426 -0.504 -6.250) 7.145 7.959 ( 8.771 -5.649 -5.618) 11.849 8.213 ( 5.598 -0.098 -8.418) 10.110 8.489 ( 0.403 -2.601 6.731) 7.227 8.543 ( 4.877 -3.595 -3.111) 6.811 8.695 ( -3.304 -2.959 -2.306) 4.999 8.856 ( 2.308 -9.495 5.710) 11.317 9.196 ( 8.274 1.767 6.646) 10.759 9.332 ( -1.579 9.417 2.176) 9.793 9.943 ( 0.337 -6.639 -2.613) 7.143 10.199 ( -2.433 5.254 -0.293) 5.797 10.343 ( 4.293 8.078 0.702) 9.175 10.634 ( 1.651 1.371 0.495) 2.202 10.748 ( 2.130 -1.249 0.334) 2.492 10.810 ( 0.443 -1.461 -3.688) 3.992 10.877 ( 5.467 -1.641 3.001) 6.449 11.129 ( 3.489 0.708 -2.830) 4.548 11.157 ( 5.664 0.727 -2.208) 6.123 11.595 ( 2.392 -5.822 17.677) 18.764 12.040 ( -9.289 14.210 3.879) 17.414 12.325 ( -13.113 -1.265 -1.210) 13.229 12.640 ( -4.049 -7.470 -1.823) 8.690 13.090 ( 8.431 -5.354 0.331) 9.993 13.109 ( 4.956 -2.378 1.162) 5.618 13.379 ( 0.860 -4.226 -5.854) 7.271 14.154 ( -1.388 0.316 4.353) 4.579 14.876 ( -4.406 3.232 0.768) 5.518 15.247 ( -4.091 2.784 2.610) 5.594 15.375 ( 5.105 -1.703 -5.750) 7.875 16.060 ( -5.230 1.346 -9.449) 10.883 16.253 ( -6.031 -1.886 -9.580) 11.477 17.461 ( -5.648 -8.527 10.408) 14.592 18.332 ( -0.657 4.439 8.938) 10.001 18.723 ( -5.592 -10.823 -4.367) 12.941 18.956 ( 2.004 -2.739 11.127) 11.633 20.272 ( 1.263 4.098 6.324) 7.641 20.712 ( 13.143 15.953 -15.009) 25.544 21.156 ( 0.673 -2.109 -25.886) 25.980 21.464 ( -4.540 -1.155 -9.266) 10.383 22.527 ( 1.113 0.452 21.882) 21.915 23.329 ( -0.701 -1.451 0.942) 1.866 ======================= Grid point 91 (37/84) ======================= q-point: (-0.38 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( -16.879 -1.234 1.192) 16.966 1.874 ( -13.629 9.347 3.785) 16.954 2.436 ( -6.048 23.760 3.088) 24.711 2.611 ( -18.543 13.400 -0.053) 22.879 3.132 ( 5.183 -6.525 6.116) 10.336 3.203 ( 2.357 -0.238 6.698) 7.105 3.572 ( 11.573 -1.697 11.160) 16.167 3.907 ( -1.314 -1.733 -11.682) 11.883 3.950 ( -1.383 5.327 -9.095) 10.631 4.204 ( 4.544 4.191 2.500) 6.668 4.261 ( -3.920 9.195 4.058) 10.788 4.462 ( 5.559 24.426 3.996) 25.367 4.518 ( -4.198 -11.030 11.522) 16.494 4.725 ( 10.183 -7.826 -1.009) 12.883 4.811 ( 1.318 -6.126 8.505) 10.564 4.997 ( 0.095 -0.503 -1.318) 1.414 5.096 ( 1.401 -3.993 3.387) 5.420 5.242 ( -1.286 -5.296 7.177) 9.012 5.581 ( -5.933 -13.688 -1.621) 15.006 6.020 ( 0.951 -3.655 -5.468) 6.645 6.433 ( -13.708 1.663 -1.834) 13.929 6.489 ( -4.288 8.289 0.059) 9.333 7.041 ( -1.805 6.566 0.357) 6.819 7.233 ( -1.362 -12.096 1.501) 12.265 7.466 ( -4.826 2.173 6.891) 8.689 7.726 ( 4.524 6.334 -10.579) 13.134 8.204 ( 7.038 -10.192 -6.950) 14.203 8.303 ( 5.774 2.728 -1.593) 6.581 8.449 ( -0.787 4.638 -1.905) 5.075 8.612 ( 0.942 1.585 0.092) 1.846 8.674 ( -4.230 -3.722 -3.310) 6.534 9.024 ( 2.131 -8.622 5.920) 10.674 9.284 ( 3.176 -3.179 5.822) 7.355 9.372 ( 10.722 -2.385 10.891) 15.468 10.044 ( 0.594 -3.962 -0.535) 4.042 10.086 ( -1.997 2.331 -0.068) 3.070 10.227 ( -10.198 -0.716 1.885) 10.396 10.681 ( 5.932 3.924 -5.829) 9.196 10.746 ( -0.847 1.330 -3.574) 3.907 10.870 ( 2.528 0.876 -3.804) 4.651 11.000 ( 9.149 -1.200 4.971) 10.481 11.143 ( 3.639 6.092 -2.954) 7.686 11.205 ( 5.002 5.690 -0.555) 7.596 11.631 ( -10.856 -3.666 7.982) 13.964 11.834 ( 4.084 6.043 12.817) 14.747 12.125 ( -12.412 -2.206 0.424) 12.614 12.737 ( 0.812 -11.853 -2.346) 12.110 13.203 ( 1.381 -8.455 0.441) 8.578 13.341 ( 8.631 -7.242 0.326) 11.271 13.439 ( 0.371 -3.563 -5.137) 6.262 14.112 ( -1.646 2.008 6.621) 7.112 14.735 ( -5.373 5.486 2.567) 8.096 15.156 ( -2.477 2.009 2.832) 4.265 15.526 ( 9.875 -1.878 -8.719) 13.306 15.949 ( -4.640 1.970 -8.744) 10.092 16.123 ( -9.887 2.558 -9.757) 14.124 17.532 ( -2.269 -14.544 9.599) 17.573 18.277 ( 0.099 4.188 11.485) 12.225 18.780 ( -4.565 -13.630 -6.029) 15.587 19.022 ( 1.475 -3.112 10.562) 11.109 20.204 ( -0.552 7.961 6.522) 10.306 20.796 ( 16.652 12.566 -19.066) 28.262 21.168 ( 0.110 1.126 -24.597) 24.623 21.341 ( -9.474 2.442 -9.890) 13.912 22.540 ( 0.887 0.028 22.832) 22.849 23.348 ( -0.024 -2.543 0.966) 2.720 ======================= Grid point 92 (38/84) ======================= q-point: (-0.25 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( -0.000 1.316 2.693) 2.998 1.622 ( -0.000 10.619 7.611) 13.064 2.030 ( -0.000 33.659 8.821) 34.796 2.218 ( -0.000 18.043 1.760) 18.128 3.231 ( 0.000 -1.386 7.881) 8.002 3.385 ( 0.000 -21.672 2.493) 21.815 3.523 ( -0.000 53.642 21.039) 57.620 3.656 ( -0.000 0.704 6.651) 6.688 3.965 ( 0.000 -3.575 -7.683) 8.474 3.983 ( -0.000 0.893 -14.830) 14.857 4.311 ( 0.000 -5.207 -2.447) 5.753 4.342 ( -0.000 12.977 -0.987) 13.014 4.679 ( 0.000 -12.973 12.487) 18.006 4.905 ( 0.000 -2.688 0.267) 2.702 4.916 ( 0.000 -4.251 3.817) 5.714 5.075 ( 0.000 -17.473 12.319) 21.379 5.122 ( -0.000 6.001 5.392) 8.068 5.354 ( 0.000 -16.028 -0.452) 16.035 5.725 ( 0.000 -18.930 -3.291) 19.214 6.045 ( -0.000 6.428 -3.440) 7.290 6.307 ( 0.000 -5.590 -5.108) 7.572 6.350 ( -0.000 6.737 -1.882) 6.995 6.903 ( -0.000 9.675 -1.909) 9.862 7.351 ( 0.000 -7.418 0.684) 7.449 7.398 ( -0.000 2.113 8.021) 8.295 7.654 ( -0.000 10.375 -10.320) 14.634 8.205 ( -0.000 15.879 1.640) 15.963 8.284 ( -0.000 5.733 -11.924) 13.230 8.551 ( 0.000 -9.711 -1.251) 9.791 8.583 ( -0.000 0.719 -7.572) 7.606 8.658 ( 0.000 -3.931 6.373) 7.488 9.123 ( 0.000 -6.101 9.908) 11.636 9.457 ( 0.000 -13.641 4.510) 14.367 9.539 ( 0.000 -6.927 10.013) 12.175 9.971 ( -0.000 5.239 1.881) 5.567 10.119 ( 0.000 -2.896 0.064) 2.896 10.178 ( 0.000 -7.026 -0.646) 7.056 10.604 ( -0.000 13.798 -6.651) 15.317 10.805 ( 0.000 -5.730 0.316) 5.739 10.854 ( -0.000 4.187 -7.971) 9.003 11.042 ( -0.000 3.126 -6.305) 7.037 11.129 ( -0.000 5.937 -4.557) 7.484 11.363 ( -0.000 2.579 10.239) 10.559 11.379 ( -0.000 0.009 5.941) 5.941 11.909 ( 0.000 -5.213 20.340) 20.997 11.996 ( -0.000 0.403 -1.958) 1.999 12.904 ( 0.000 -12.961 -3.227) 13.356 13.367 ( 0.000 -15.079 0.894) 15.106 13.406 ( -0.000 2.647 -4.279) 5.032 13.577 ( 0.000 -12.797 -0.967) 12.834 14.062 ( -0.000 3.427 8.604) 9.261 14.604 ( -0.000 6.237 4.716) 7.820 15.108 ( -0.000 3.470 2.766) 4.438 15.748 ( 0.000 -6.599 -13.300) 14.847 15.805 ( -0.000 8.180 -6.377) 10.372 15.934 ( -0.000 6.118 -9.104) 10.969 17.721 ( 0.000 -19.126 8.688) 21.007 18.235 ( -0.000 2.796 14.400) 14.668 18.917 ( 0.000 -16.890 -7.014) 18.288 19.073 ( 0.000 -2.945 10.336) 10.748 20.078 ( -0.000 11.237 6.652) 13.059 20.911 ( -0.000 8.282 -35.104) 36.068 21.033 ( -0.000 14.463 -5.037) 15.315 21.210 ( 0.000 -1.130 -17.732) 17.768 22.559 ( 0.000 -1.813 24.274) 24.342 23.383 ( 0.000 -2.980 0.746) 3.071 ======================= Grid point 97 (39/84) ======================= q-point: ( 0.38 -0.62 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( -20.573 -0.000 -1.305) 20.614 2.451 ( -9.845 -0.000 -10.225) 14.194 2.452 ( -19.859 -0.000 4.636) 20.393 2.860 ( 14.041 0.000 8.070) 16.195 3.135 ( 12.694 0.000 13.148) 18.276 3.465 ( 6.987 0.000 -9.090) 11.465 3.825 ( -4.299 -0.000 1.381) 4.515 3.878 ( 3.343 0.000 -8.651) 9.274 3.911 ( 2.220 0.000 -3.323) 3.996 4.031 ( 21.605 0.000 4.940) 22.163 4.173 ( 1.713 0.000 7.477) 7.671 4.224 ( -6.589 -0.000 3.845) 7.629 4.359 ( 8.816 0.000 5.018) 10.144 4.561 ( -8.750 -0.000 -5.802) 10.499 4.618 ( -12.747 -0.000 2.144) 12.926 5.000 ( 7.341 0.000 5.032) 8.900 5.200 ( 3.090 0.000 -0.818) 3.196 5.419 ( -5.986 -0.000 19.698) 20.587 5.951 ( -14.838 -0.000 -8.036) 16.875 6.119 ( -14.941 -0.000 4.974) 15.747 6.497 ( -1.112 -0.000 -1.425) 1.808 6.776 ( -3.194 -0.000 2.483) 4.045 6.957 ( -16.065 -0.000 -5.016) 16.830 7.013 ( 21.214 0.000 5.401) 21.891 7.559 ( -2.643 -0.000 -0.426) 2.677 7.675 ( -10.648 -0.000 1.780) 10.796 7.923 ( 10.344 0.000 -7.861) 12.992 8.213 ( 9.386 0.000 -8.556) 12.700 8.438 ( 5.127 0.000 2.268) 5.606 8.473 ( 5.121 0.000 -2.971) 5.920 8.688 ( -0.850 -0.000 0.970) 1.289 8.727 ( -1.440 -0.000 8.452) 8.574 9.218 ( 6.663 0.000 5.306) 8.517 9.502 ( -0.421 -0.000 -1.125) 1.201 9.826 ( -2.606 -0.000 -2.256) 3.447 10.278 ( -1.213 -0.000 -1.451) 1.891 10.458 ( -12.764 -0.000 3.053) 13.124 10.703 ( -4.964 -0.000 8.358) 9.721 10.728 ( 17.779 0.000 -2.399) 17.940 10.758 ( 8.718 0.000 -4.992) 10.046 10.789 ( 0.555 0.000 -4.403) 4.438 11.129 ( 7.950 0.000 -0.188) 7.952 11.183 ( 8.558 0.000 -2.240) 8.847 11.530 ( 0.601 0.000 18.751) 18.761 12.218 ( -13.725 -0.000 0.986) 13.760 12.423 ( -3.592 -0.000 -2.413) 4.327 12.446 ( -14.758 -0.000 1.146) 14.802 13.028 ( 5.944 0.000 -0.041) 5.944 13.082 ( 4.007 0.000 0.953) 4.119 13.320 ( 2.978 0.000 -3.880) 4.891 14.156 ( -0.599 -0.000 3.492) 3.543 14.933 ( -2.006 -0.000 -2.351) 3.091 15.258 ( -0.662 -0.000 0.033) 0.663 15.351 ( -4.099 -0.000 0.088) 4.100 16.079 ( 0.080 0.000 -11.081) 11.081 16.232 ( -6.298 -0.000 -10.372) 12.134 17.358 ( -7.055 -0.000 11.957) 13.883 18.394 ( -1.257 -0.000 7.757) 7.858 18.590 ( -3.953 -0.000 -3.413) 5.223 18.921 ( 2.251 0.000 11.253) 11.476 20.321 ( 2.421 0.000 6.473) 6.911 20.972 ( 6.824 0.000 -12.607) 14.336 21.067 ( 2.619 0.000 -29.304) 29.421 21.445 ( -2.150 -0.000 -8.491) 8.759 22.533 ( 1.205 0.000 21.616) 21.650 23.311 ( -1.180 -0.000 1.140) 1.641 ======================= Grid point 99 (40/84) ======================= q-point: (-0.50 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( -18.176 -1.165 1.142) 18.249 2.035 ( -19.177 4.654 6.757) 20.858 2.334 ( -13.264 -12.349 -3.743) 18.505 2.929 ( 0.291 5.679 9.198) 10.814 3.346 ( 8.760 9.483 1.014) 12.949 3.409 ( 2.292 13.933 -1.118) 14.165 3.673 ( 3.515 13.486 9.524) 16.879 3.831 ( -3.978 -2.481 -6.380) 7.917 4.047 ( -1.893 2.381 -5.147) 5.979 4.065 ( -2.850 -7.602 3.118) 8.697 4.188 ( -0.575 -12.967 4.638) 13.783 4.260 ( -10.301 -5.679 8.126) 14.297 4.500 ( 10.384 -12.884 5.851) 17.551 4.618 ( 10.969 -3.973 -0.230) 11.669 4.734 ( 10.137 0.306 -12.599) 16.173 5.038 ( -2.569 2.632 -1.677) 4.042 5.283 ( 4.088 -2.099 -0.616) 4.637 5.437 ( 7.144 6.730 12.338) 15.766 5.635 ( -10.098 32.356 10.806) 35.575 5.837 ( -3.375 -8.399 -6.457) 11.119 6.484 ( -10.006 -3.096 -2.286) 10.721 6.622 ( -10.519 3.928 0.239) 11.231 6.830 ( -6.213 -17.392 3.752) 18.846 7.237 ( 8.439 10.144 4.715) 14.012 7.514 ( -5.745 1.306 6.020) 8.423 7.644 ( 3.889 -11.731 -4.798) 13.258 8.049 ( 4.755 -0.362 -8.063) 9.368 8.356 ( 7.399 1.540 -6.054) 9.683 8.511 ( 3.227 -0.611 0.231) 3.292 8.582 ( 3.650 -2.479 -0.675) 4.464 8.631 ( -3.363 1.943 -0.828) 3.971 8.772 ( 0.298 -7.973 6.491) 10.286 9.340 ( 6.918 -0.212 10.744) 12.780 9.460 ( 2.803 9.837 1.317) 10.313 9.849 ( -0.333 -8.415 -1.227) 8.511 10.216 ( -3.202 4.306 0.294) 5.374 10.222 ( -12.349 0.529 2.954) 12.709 10.602 ( -6.014 -4.622 1.934) 7.828 10.799 ( 1.458 0.685 -7.266) 7.442 10.892 ( 7.260 1.379 -4.858) 8.843 10.999 ( 10.903 -0.024 -2.719) 11.237 11.270 ( 7.304 3.357 0.042) 8.039 11.295 ( 6.652 1.299 -0.489) 6.795 11.532 ( -3.200 -2.158 16.079) 16.536 12.002 ( -8.267 2.020 1.313) 8.610 12.163 ( -8.042 8.519 3.682) 12.281 12.461 ( -3.113 -11.210 -0.544) 11.647 13.082 ( -0.703 -0.930 -0.536) 1.283 13.159 ( 3.592 -6.017 -0.931) 7.069 13.418 ( 5.656 -0.035 -2.252) 6.088 14.141 ( -0.698 0.504 5.271) 5.340 14.867 ( -2.435 4.328 -1.022) 5.070 15.177 ( -5.288 0.155 2.812) 5.991 15.394 ( 2.987 -5.400 -5.671) 8.381 16.035 ( -2.292 2.719 -10.956) 11.519 16.166 ( -2.599 0.929 -10.412) 10.771 17.294 ( -3.790 -5.043 12.045) 13.597 18.368 ( -0.170 2.471 9.365) 9.687 18.562 ( -2.771 -4.537 -5.161) 7.410 18.961 ( 1.241 -1.642 10.665) 10.862 20.333 ( 0.866 2.751 6.590) 7.194 21.017 ( 6.665 6.327 -18.906) 21.021 21.141 ( 1.200 -2.808 -26.023) 26.202 21.397 ( -3.145 1.583 -7.230) 8.041 22.548 ( 0.751 0.344 21.812) 21.828 23.303 ( -0.520 -1.066 1.438) 1.864 ======================= Grid point 100 (41/84) ======================= q-point: (-0.38 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 0.000 -2.235 2.035) 3.023 1.805 ( -0.000 4.461 6.660) 8.016 2.357 ( 0.000 -11.537 -0.296) 11.541 2.750 ( -0.000 22.612 5.399) 23.248 3.249 ( -0.000 6.956 5.518) 8.879 3.254 ( -0.000 14.609 1.912) 14.733 3.683 ( -0.000 1.448 8.349) 8.473 3.828 ( 0.000 -4.234 -9.637) 10.526 3.948 ( -0.000 2.338 -4.836) 5.371 4.208 ( 0.000 -3.213 -0.163) 3.217 4.243 ( 0.000 -16.883 12.494) 21.003 4.405 ( 0.000 -14.613 5.931) 15.771 4.647 ( -0.000 9.355 3.090) 9.852 4.833 ( 0.000 -14.845 -0.675) 14.860 4.874 ( 0.000 -7.767 -8.433) 11.465 4.899 ( -0.000 19.843 -0.086) 19.844 5.074 ( -0.000 20.286 9.116) 22.240 5.380 ( -0.000 11.336 6.137) 12.891 5.396 ( 0.000 -5.348 -0.457) 5.367 6.037 ( 0.000 -13.628 -2.856) 13.924 6.283 ( -0.000 9.369 -0.435) 9.379 6.489 ( -0.000 2.337 -1.303) 2.676 7.018 ( 0.000 -17.793 5.170) 18.529 7.157 ( -0.000 10.244 2.147) 10.467 7.445 ( -0.000 1.802 7.622) 7.832 7.800 ( 0.000 -2.961 -11.043) 11.433 8.139 ( 0.000 -8.619 -4.445) 9.698 8.408 ( -0.000 2.796 -2.416) 3.695 8.507 ( -0.000 4.111 0.159) 4.114 8.583 ( 0.000 -0.521 -6.583) 6.603 8.638 ( 0.000 -1.859 1.947) 2.692 8.907 ( 0.000 -12.438 5.497) 13.599 9.332 ( -0.000 7.058 4.295) 8.263 9.470 ( 0.000 -0.834 13.540) 13.566 9.973 ( 0.000 -9.943 -0.409) 9.952 10.079 ( -0.000 0.088 1.157) 1.160 10.121 ( -0.000 6.229 0.804) 6.281 10.632 ( 0.000 -7.791 -0.306) 7.797 10.799 ( -0.000 2.368 -9.978) 10.255 10.922 ( -0.000 2.780 -4.735) 5.491 11.112 ( -0.000 1.032 -1.896) 2.159 11.274 ( -0.000 5.062 -5.640) 7.579 11.392 ( -0.000 0.915 6.392) 6.457 11.418 ( -0.000 3.553 11.540) 12.075 11.959 ( 0.000 -2.908 -0.440) 2.941 11.976 ( -0.000 8.459 11.486) 14.265 12.587 ( 0.000 -13.111 -1.384) 13.184 13.112 ( 0.000 -5.778 -0.040) 5.778 13.294 ( 0.000 -10.083 -1.327) 10.170 13.458 ( -0.000 1.585 -2.791) 3.210 14.122 ( -0.000 1.556 6.615) 6.796 14.771 ( -0.000 6.960 0.617) 6.987 15.134 ( 0.000 -0.461 2.853) 2.889 15.523 ( 0.000 -9.716 -7.971) 12.568 15.969 ( -0.000 4.905 -9.169) 10.398 16.093 ( -0.000 5.493 -10.890) 12.197 17.356 ( 0.000 -10.594 11.155) 15.384 18.328 ( -0.000 3.926 10.896) 11.582 18.612 ( 0.000 -8.449 -6.206) 10.483 18.999 ( 0.000 -2.821 10.383) 10.760 20.287 ( -0.000 5.955 6.612) 8.898 21.042 ( -0.000 3.709 -26.318) 26.578 21.175 ( 0.000 -1.804 -21.967) 22.041 21.297 ( -0.000 7.471 -5.329) 9.177 22.550 ( -0.000 0.395 22.302) 22.305 23.318 ( 0.000 -2.145 1.361) 2.540 ======================= Grid point 108 (42/84) ======================= q-point: (-0.50 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 0.000 -0.000 2.281) 2.281 1.868 ( -0.000 0.000 15.908) 15.908 2.134 ( 0.000 -0.000 -7.940) 7.940 2.967 ( 0.000 -0.000 11.385) 11.385 3.492 ( 0.000 -0.000 0.074) 0.074 3.569 ( -0.000 0.000 -9.094) 9.094 3.763 ( 0.000 -0.000 4.605) 4.605 3.777 ( 0.000 -0.000 1.436) 1.436 3.968 ( 0.000 -0.000 3.188) 3.188 4.022 ( 0.000 -0.000 13.613) 13.613 4.067 ( 0.000 -0.000 6.020) 6.020 4.147 ( 0.000 -0.000 -3.497) 3.497 4.450 ( 0.000 -0.000 -0.021) 0.021 4.770 ( 0.000 -0.000 0.236) 0.236 4.849 ( 0.000 -0.000 -12.250) 12.250 4.984 ( 0.000 -0.000 -3.032) 3.032 5.305 ( 0.000 -0.000 -3.090) 3.090 5.686 ( -0.000 0.000 13.454) 13.454 5.701 ( 0.000 -0.000 -10.317) 10.317 5.794 ( -0.000 0.000 14.114) 14.114 6.327 ( 0.000 -0.000 -3.733) 3.733 6.505 ( 0.000 -0.000 -0.762) 0.762 6.665 ( 0.000 -0.000 7.836) 7.836 7.445 ( -0.000 0.000 4.768) 4.768 7.470 ( 0.000 -0.000 6.890) 6.890 7.543 ( 0.000 -0.000 -3.888) 3.888 8.088 ( 0.000 -0.000 -9.819) 9.819 8.431 ( 0.000 -0.000 -4.813) 4.813 8.574 ( 0.000 -0.000 -5.952) 5.952 8.578 ( 0.000 -0.000 3.390) 3.390 8.618 ( 0.000 -0.000 -1.883) 1.883 8.710 ( -0.000 0.000 8.893) 8.893 9.406 ( 0.000 -0.000 12.469) 12.469 9.583 ( 0.000 -0.000 3.761) 3.761 9.770 ( 0.000 -0.000 -0.260) 0.260 10.082 ( 0.000 -0.000 1.802) 1.802 10.232 ( 0.000 -0.000 -0.567) 0.567 10.504 ( 0.000 -0.000 0.137) 0.137 10.813 ( 0.000 -0.000 -7.056) 7.056 10.957 ( 0.000 -0.000 -7.689) 7.689 11.118 ( 0.000 -0.000 -1.711) 1.711 11.340 ( 0.000 -0.000 -6.531) 6.531 11.406 ( 0.000 -0.000 6.939) 6.939 11.473 ( 0.000 -0.000 14.694) 14.694 11.912 ( 0.000 -0.000 0.577) 0.577 12.188 ( 0.000 -0.000 5.650) 5.650 12.332 ( -0.000 0.000 0.629) 0.629 13.068 ( 0.000 -0.000 -0.993) 0.993 13.147 ( 0.000 -0.000 -1.177) 1.177 13.477 ( 0.000 -0.000 -2.306) 2.306 14.140 ( 0.000 -0.000 6.174) 6.174 14.877 ( 0.000 -0.000 -1.568) 1.568 15.123 ( 0.000 -0.000 2.875) 2.875 15.380 ( 0.000 -0.000 -5.906) 5.906 16.028 ( 0.000 -0.000 -10.879) 10.879 16.162 ( 0.000 -0.000 -11.318) 11.318 17.229 ( 0.000 -0.000 12.692) 12.692 18.382 ( 0.000 -0.000 9.881) 9.881 18.512 ( 0.000 -0.000 -5.911) 5.911 18.960 ( 0.000 -0.000 10.514) 10.514 20.358 ( 0.000 -0.000 6.642) 6.642 21.101 ( 0.000 -0.000 -14.381) 14.381 21.135 ( -0.000 0.000 -32.876) 32.876 21.387 ( 0.000 -0.000 -5.434) 5.434 22.557 ( 0.000 -0.000 21.760) 21.760 23.291 ( 0.000 -0.000 1.648) 1.648 ======================= Grid point 138 (43/84) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 0.000 0.000 25.581) 25.581 1.470 ( 0.000 0.000 38.016) 38.016 1.670 ( 0.000 0.000 2.334) 2.334 1.958 ( 0.000 0.000 12.125) 12.125 2.721 ( 0.000 0.000 65.299) 65.299 3.329 ( 0.000 0.000 -17.047) 17.047 3.428 ( 0.000 0.000 -10.877) 10.877 3.498 ( 0.000 0.000 5.606) 5.606 3.873 ( 0.000 0.000 -17.107) 17.107 4.110 ( 0.000 0.000 10.774) 10.774 4.459 ( 0.000 0.000 -0.271) 0.271 4.622 ( 0.000 0.000 2.783) 2.783 4.846 ( 0.000 0.000 1.714) 1.714 4.892 ( 0.000 0.000 19.647) 19.647 5.154 ( 0.000 0.000 6.109) 6.109 5.573 ( 0.000 0.000 20.306) 20.306 5.696 ( 0.000 0.000 -10.383) 10.383 5.781 ( 0.000 0.000 -32.363) 32.363 5.901 ( 0.000 0.000 3.786) 3.786 6.078 ( 0.000 0.000 19.077) 19.077 6.119 ( 0.000 0.000 -10.797) 10.797 6.303 ( 0.000 0.000 -10.510) 10.510 6.514 ( 0.000 0.000 -12.919) 12.919 7.044 ( 0.000 0.000 6.962) 6.962 7.250 ( 0.000 0.000 -20.882) 20.882 7.482 ( 0.000 0.000 11.747) 11.747 7.567 ( 0.000 0.000 15.873) 15.873 7.744 ( 0.000 0.000 -11.726) 11.726 8.324 ( 0.000 0.000 -13.328) 13.328 8.726 ( 0.000 0.000 -18.755) 18.755 9.404 ( 0.000 0.000 5.229) 5.229 9.528 ( 0.000 0.000 9.181) 9.181 9.757 ( 0.000 0.000 7.246) 7.246 9.925 ( 0.000 0.000 -0.352) 0.352 9.927 ( 0.000 0.000 5.299) 5.299 9.976 ( 0.000 0.000 3.770) 3.770 10.196 ( 0.000 0.000 -3.527) 3.527 10.342 ( 0.000 0.000 -1.304) 1.304 10.491 ( 0.000 0.000 4.923) 4.923 10.823 ( 0.000 0.000 1.959) 1.959 10.911 ( 0.000 0.000 -9.607) 9.607 11.060 ( 0.000 0.000 -3.833) 3.833 11.403 ( 0.000 0.000 18.381) 18.381 11.515 ( 0.000 0.000 6.922) 6.922 11.851 ( 0.000 0.000 -3.433) 3.433 12.827 ( 0.000 0.000 -19.952) 19.952 13.011 ( 0.000 0.000 -1.892) 1.892 13.201 ( 0.000 0.000 -4.841) 4.841 13.979 ( 0.000 0.000 0.584) 0.584 14.030 ( 0.000 0.000 -1.193) 1.193 14.309 ( 0.000 0.000 18.410) 18.410 14.892 ( 0.000 0.000 7.292) 7.292 15.081 ( 0.000 0.000 2.044) 2.044 15.151 ( 0.000 0.000 -5.057) 5.057 15.409 ( 0.000 0.000 -8.267) 8.267 15.465 ( 0.000 0.000 -11.625) 11.625 18.705 ( 0.000 0.000 12.907) 12.907 19.166 ( 0.000 0.000 0.290) 0.290 19.204 ( 0.000 0.000 -0.843) 0.843 19.380 ( 0.000 0.000 -6.301) 6.301 19.434 ( 0.000 0.000 18.723) 18.723 19.959 ( 0.000 0.000 -0.320) 0.320 20.085 ( 0.000 0.000 -5.073) 5.073 20.828 ( 0.000 0.000 -24.292) 24.292 23.159 ( 0.000 0.000 9.140) 9.140 23.453 ( 0.000 0.000 -1.367) 1.367 ======================= Grid point 139 (44/84) ======================= q-point: ( 0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 12.480 -6.892 22.661) 26.773 1.632 ( 11.872 -9.913 29.764) 33.543 1.811 ( 14.600 -0.574 3.024) 14.921 2.122 ( 14.662 -1.638 4.633) 15.463 3.020 ( 20.165 -14.112 51.668) 57.231 3.343 ( -0.899 -1.875 -12.296) 12.471 3.376 ( -5.208 0.070 -1.147) 5.333 3.421 ( -12.390 -6.930 1.456) 14.271 3.821 ( -8.340 -3.535 -19.345) 21.360 4.117 ( 1.329 0.972 8.939) 9.090 4.337 ( -8.447 4.919 3.119) 10.261 4.524 ( 4.170 15.033 2.992) 15.885 4.802 ( -6.567 -5.472 6.347) 10.647 4.954 ( -0.817 7.502 7.948) 10.960 5.165 ( 1.359 -2.211 10.923) 11.227 5.469 ( -5.649 6.428 13.440) 15.933 5.700 ( -5.475 -4.145 -6.238) 9.278 5.775 ( 5.119 1.124 -5.754) 7.783 5.839 ( 2.122 4.502 -14.867) 15.678 6.041 ( -1.945 -3.354 0.151) 3.880 6.245 ( 5.608 12.158 -6.526) 14.895 6.369 ( 8.949 -3.064 -6.184) 11.301 6.534 ( 9.113 1.246 -4.861) 10.403 7.168 ( -2.098 -13.873 0.184) 14.032 7.218 ( -2.180 -1.626 -13.988) 14.250 7.542 ( 3.049 -1.216 8.085) 8.726 7.602 ( 4.092 -3.495 6.810) 8.680 7.824 ( 2.792 -7.892 -7.179) 11.028 8.360 ( 3.393 -0.853 -13.523) 13.968 8.672 ( -3.714 4.390 -17.320) 18.250 9.291 ( -0.553 13.782 10.442) 17.300 9.509 ( -3.903 3.172 9.616) 10.852 9.600 ( -12.025 1.763 7.645) 14.358 9.876 ( -7.056 -6.868 0.514) 9.860 9.932 ( -8.534 -7.702 2.387) 11.741 10.066 ( 7.417 -4.339 4.543) 9.720 10.163 ( -7.625 4.484 3.621) 9.558 10.296 ( -4.923 0.322 0.139) 4.936 10.437 ( 1.643 0.067 -2.221) 2.763 10.695 ( -10.731 -1.565 -6.540) 12.664 10.977 ( 3.793 0.959 -2.847) 4.839 11.036 ( -2.816 0.123 -0.591) 2.880 11.351 ( 0.908 -0.092 14.601) 14.629 11.599 ( 2.729 -2.695 12.324) 12.907 11.898 ( 4.244 -1.304 -2.734) 5.214 12.783 ( 1.232 8.244 -11.215) 13.974 12.984 ( 1.040 3.897 -7.092) 8.159 13.199 ( -3.282 -0.166 -4.958) 5.948 13.794 ( -13.855 7.181 2.881) 15.869 13.830 ( -13.474 5.023 0.934) 14.410 14.278 ( -3.017 -1.749 15.309) 15.701 14.902 ( -4.609 3.900 3.156) 6.813 14.999 ( 6.283 -4.261 7.375) 10.584 15.154 ( 2.693 1.613 -1.972) 3.707 15.573 ( 6.278 -7.294 -10.910) 14.548 15.798 ( 23.773 -1.370 -18.972) 30.446 18.488 ( -12.552 10.478 12.117) 20.351 18.843 ( -4.887 17.529 9.323) 20.447 19.240 ( -6.278 -2.058 10.492) 12.399 19.396 ( -10.224 -20.944 -3.077) 23.509 19.611 ( 13.469 8.256 0.027) 15.798 19.991 ( 8.715 4.207 0.172) 9.679 20.345 ( 7.340 -17.223 -14.351) 23.590 20.900 ( 8.041 -1.197 -22.680) 24.093 23.075 ( -5.228 3.573 13.509) 14.919 23.441 ( -1.043 0.672 -1.444) 1.904 ======================= Grid point 140 (45/84) ======================= q-point: ( 0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( 13.750 -4.514 13.883) 20.055 2.064 ( 19.394 -10.144 11.115) 24.547 2.118 ( 18.055 -6.163 7.821) 20.619 2.400 ( 11.836 -6.233 3.635) 13.862 3.107 ( -19.793 -1.235 3.551) 20.147 3.271 ( -13.810 -11.850 1.718) 18.278 3.377 ( -1.698 -3.520 -9.568) 10.336 3.561 ( -0.023 -14.638 10.061) 17.763 3.789 ( 8.807 -2.208 10.482) 13.867 4.079 ( -2.418 5.706 -0.108) 6.198 4.252 ( 7.115 -2.052 6.917) 10.134 4.444 ( 3.972 9.570 6.291) 12.123 4.721 ( -5.826 9.393 6.512) 12.828 4.785 ( -7.621 -5.103 1.696) 9.327 5.059 ( -5.252 9.792 9.839) 14.842 5.258 ( -6.417 8.731 10.954) 15.407 5.766 ( 4.526 10.346 -13.601) 17.678 5.822 ( 4.604 6.347 7.536) 10.875 5.925 ( 9.277 -12.609 -0.581) 15.665 6.131 ( 4.662 -1.207 -11.206) 12.197 6.134 ( 10.572 15.395 -4.283) 19.160 6.562 ( 6.426 -0.515 -5.812) 8.680 6.712 ( 3.688 -10.450 -2.124) 11.283 7.188 ( -8.762 -9.036 3.642) 13.103 7.258 ( 0.118 -4.812 -18.134) 18.761 7.563 ( -3.622 -2.901 3.667) 5.915 7.765 ( 5.386 -5.013 -5.149) 8.981 8.010 ( 6.311 -9.828 -1.130) 11.735 8.443 ( 3.747 1.353 -13.075) 13.668 8.482 ( -7.060 7.121 -12.003) 15.640 9.123 ( -2.632 8.269 12.442) 15.169 9.292 ( -8.736 6.730 7.015) 13.070 9.421 ( -8.627 1.856 12.831) 15.573 9.800 ( -12.864 -9.054 4.518) 16.367 9.867 ( -12.249 9.271 5.969) 16.481 9.976 ( 1.600 -7.497 -5.882) 9.662 10.153 ( -6.989 1.030 0.272) 7.070 10.269 ( 1.615 -6.935 4.299) 8.318 10.543 ( 4.635 -2.420 -6.110) 8.042 10.598 ( -0.389 -4.246 -9.002) 9.961 10.981 ( -1.588 -0.725 3.676) 4.069 11.011 ( -0.576 0.470 -1.089) 1.319 11.435 ( 9.505 3.148 13.173) 16.546 11.657 ( -2.022 -6.926 14.845) 16.505 12.001 ( 6.179 0.148 -0.041) 6.181 12.703 ( 3.238 10.506 -3.212) 11.453 12.923 ( -1.926 7.112 -9.035) 11.658 13.108 ( -5.187 -0.897 -5.997) 7.980 13.482 ( -17.043 7.112 1.621) 18.539 13.507 ( -11.659 6.078 -0.683) 13.166 14.270 ( -1.259 -3.110 11.384) 11.868 14.870 ( -1.295 -5.573 -2.349) 6.185 15.139 ( 4.796 0.124 3.871) 6.164 15.193 ( 7.789 5.162 4.402) 10.329 15.793 ( 8.444 -7.032 -10.121) 14.940 16.091 ( 11.574 1.761 -18.619) 21.994 18.187 ( -9.091 7.552 12.783) 17.409 18.601 ( -3.738 10.655 7.635) 13.631 19.189 ( -2.593 -0.957 15.978) 16.215 19.432 ( -11.443 -17.342 -3.213) 21.025 19.634 ( 9.463 18.161 -8.371) 22.124 20.150 ( 7.620 -4.535 7.292) 11.480 20.563 ( 1.749 -7.536 -22.968) 24.236 21.101 ( 9.624 -4.123 -19.255) 21.917 22.958 ( -3.714 2.230 17.208) 17.745 23.407 ( -1.416 1.110 -1.432) 2.300 ======================= Grid point 141 (46/84) ======================= q-point: ( 0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( 5.916 1.881 5.408) 8.233 2.322 ( 6.191 -0.909 -0.749) 6.302 2.619 ( 11.811 -10.919 10.384) 19.146 2.646 ( 8.076 -13.638 8.891) 18.173 2.822 ( -8.801 -5.566 10.576) 14.842 3.246 ( -5.822 -9.937 -5.229) 12.648 3.341 ( -6.068 0.651 -0.765) 6.151 3.581 ( -0.090 -1.333 -3.420) 3.671 3.831 ( -7.530 -0.183 6.384) 9.873 3.981 ( 0.206 7.049 -7.677) 10.424 4.334 ( 1.929 7.950 4.208) 9.199 4.476 ( -10.719 2.769 0.925) 11.110 4.650 ( 6.614 -9.108 4.038) 11.959 4.857 ( 12.068 1.170 15.287) 19.512 4.924 ( 3.398 -1.788 7.091) 8.064 5.093 ( -2.345 4.954 14.052) 15.083 5.666 ( -0.379 8.523 -6.176) 10.532 5.807 ( 6.019 10.762 12.137) 17.302 6.094 ( 7.904 10.554 -6.071) 14.516 6.204 ( 8.418 -4.775 -1.717) 9.829 6.336 ( 5.882 -4.631 -2.612) 7.929 6.575 ( -3.671 0.815 0.372) 3.779 6.867 ( 0.459 -10.265 -4.067) 11.051 7.135 ( -5.969 -2.610 -1.267) 6.637 7.308 ( 0.076 -4.067 -17.098) 17.575 7.499 ( -7.514 -2.597 -4.580) 9.175 7.861 ( 2.327 -1.055 -5.226) 5.817 8.136 ( -2.857 2.543 -2.300) 4.463 8.327 ( 2.809 -3.668 -5.071) 6.860 8.550 ( 4.021 -1.103 -15.804) 16.345 9.026 ( -2.288 0.684 7.882) 8.236 9.115 ( -4.557 4.062 5.958) 8.530 9.272 ( -5.117 2.340 14.571) 15.619 9.555 ( -7.930 12.124 6.924) 16.057 9.714 ( -8.592 -7.147 4.012) 11.875 10.024 ( -3.149 -0.489 -2.287) 3.922 10.096 ( 1.221 -0.346 -4.744) 4.911 10.282 ( -5.720 -6.422 -5.921) 10.441 10.689 ( 6.277 -3.503 -0.758) 7.228 10.729 ( 6.751 -4.184 -2.613) 8.361 10.971 ( -3.155 -1.873 2.125) 4.240 10.978 ( -0.631 1.007 1.673) 2.052 11.568 ( 10.992 4.299 14.333) 18.567 11.708 ( -4.980 -11.310 14.299) 18.899 12.074 ( 5.394 4.643 3.930) 8.131 12.653 ( 3.402 6.993 -1.629) 7.946 12.792 ( -1.758 6.645 -6.579) 9.515 13.058 ( -4.076 -0.011 -4.820) 6.313 13.138 ( -11.624 4.015 -3.459) 12.776 13.255 ( -10.626 3.662 -4.323) 12.042 14.300 ( 0.332 -2.322 9.100) 9.398 14.949 ( -0.116 -7.740 -7.037) 10.461 15.148 ( 3.510 7.185 3.497) 8.728 15.283 ( 4.407 0.006 6.122) 7.543 15.997 ( 7.196 -3.988 -9.939) 12.902 16.182 ( 2.599 1.679 -14.130) 14.465 18.005 ( -4.387 3.836 12.528) 13.817 18.462 ( -1.767 4.949 6.232) 8.152 19.165 ( -1.001 -0.168 17.914) 17.943 19.444 ( -12.041 -18.420 -5.028) 22.573 19.552 ( 9.567 21.059 -8.302) 24.575 20.301 ( 4.058 -3.225 8.023) 9.552 20.636 ( 0.609 -2.646 -24.506) 24.655 21.269 ( 4.792 -2.806 -17.318) 18.186 22.900 ( -1.421 0.664 17.746) 17.815 23.374 ( -0.945 0.803 -1.283) 1.784 ======================= Grid point 142 (47/84) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( 0.000 -0.000 3.678) 3.678 2.336 ( 0.000 -0.000 3.556) 3.556 2.641 ( 0.000 -0.000 5.687) 5.687 2.877 ( 0.000 -0.000 9.316) 9.316 3.066 ( -0.000 0.000 8.268) 8.268 3.145 ( 0.000 -0.000 10.354) 10.354 3.250 ( 0.000 -0.000 -9.002) 9.002 3.608 ( 0.000 -0.000 -1.048) 1.048 3.732 ( 0.000 0.000 0.055) 0.055 3.936 ( 0.000 -0.000 -10.742) 10.742 4.316 ( 0.000 0.000 3.587) 3.587 4.325 ( -0.000 -0.000 1.037) 1.037 4.714 ( 0.000 0.000 -6.299) 6.299 4.862 ( -0.000 -0.000 4.638) 4.638 5.052 ( 0.000 -0.000 17.105) 17.105 5.182 ( 0.000 0.000 15.158) 15.158 5.606 ( 0.000 -0.000 6.196) 6.196 5.789 ( -0.000 -0.000 8.413) 8.413 6.117 ( 0.000 -0.000 -7.191) 7.191 6.267 ( 0.000 -0.000 7.468) 7.468 6.423 ( -0.000 -0.000 5.647) 5.647 6.497 ( 0.000 -0.000 -9.024) 9.024 6.988 ( -0.000 0.000 0.838) 0.838 7.052 ( 0.000 -0.000 -5.060) 5.060 7.369 ( -0.000 0.000 -21.764) 21.764 7.406 ( 0.000 -0.000 -6.609) 6.609 7.886 ( 0.000 0.000 -3.246) 3.246 8.076 ( 0.000 -0.000 -3.379) 3.379 8.412 ( 0.000 -0.000 -6.097) 6.097 8.590 ( 0.000 -0.000 -16.046) 16.046 9.011 ( 0.000 -0.000 6.259) 6.259 9.053 ( 0.000 -0.000 5.258) 5.258 9.218 ( 0.000 -0.000 14.779) 14.779 9.383 ( 0.000 -0.000 8.603) 8.603 9.685 ( 0.000 -0.000 4.374) 4.374 10.003 ( 0.000 -0.000 -0.622) 0.622 10.090 ( 0.000 -0.000 -7.829) 7.829 10.283 ( 0.000 -0.000 -8.121) 8.121 10.756 ( 0.000 -0.000 2.436) 2.436 10.881 ( 0.000 -0.000 -0.275) 0.275 10.897 ( -0.000 -0.000 0.434) 0.434 10.978 ( 0.000 -0.000 3.448) 3.448 11.656 ( 0.000 -0.000 15.968) 15.968 11.737 ( 0.000 0.000 12.122) 12.122 12.085 ( 0.000 -0.000 5.279) 5.279 12.648 ( -0.000 0.000 -2.074) 2.074 12.728 ( 0.000 -0.000 -4.949) 4.949 12.950 ( 0.000 -0.000 3.118) 3.118 13.102 ( -0.000 -0.000 -0.483) 0.483 13.103 ( 0.000 0.000 -18.354) 18.354 14.319 ( 0.000 -0.000 8.353) 8.353 15.007 ( 0.000 -0.000 -12.039) 12.039 15.124 ( 0.000 0.000 8.227) 8.227 15.321 ( 0.000 -0.000 5.066) 5.066 16.101 ( 0.000 -0.000 -10.377) 10.377 16.174 ( 0.000 -0.000 -11.695) 11.695 17.945 ( 0.000 -0.000 12.458) 12.458 18.419 ( 0.000 0.000 5.759) 5.759 19.158 ( 0.000 -0.000 18.494) 18.494 19.469 ( 0.000 0.000 -10.290) 10.290 19.485 ( -0.000 -0.000 -3.332) 3.332 20.355 ( 0.000 -0.000 7.512) 7.512 20.657 ( 0.000 -0.000 -24.352) 24.352 21.327 ( 0.000 -0.000 -16.735) 16.735 22.885 ( 0.000 -0.000 17.651) 17.651 23.361 ( 0.000 -0.000 -1.183) 1.183 ======================= Grid point 148 (48/84) ======================= q-point: ( 0.12 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( 19.127 0.000 18.293) 26.467 1.856 ( 21.158 0.000 24.854) 32.640 2.091 ( 17.064 0.000 0.304) 17.067 2.373 ( 13.045 0.000 -3.723) 13.566 3.078 ( -24.932 -0.000 5.730) 25.582 3.078 ( -18.753 -0.000 4.735) 19.341 3.341 ( -0.846 -0.000 -12.767) 12.795 3.356 ( 18.971 0.000 31.928) 37.139 3.791 ( 10.588 0.000 -11.479) 15.616 4.149 ( 1.460 0.000 7.032) 7.182 4.229 ( -5.039 -0.000 9.495) 10.750 4.606 ( -8.090 -0.000 2.117) 8.363 4.614 ( -4.429 -0.000 1.081) 4.560 4.982 ( -7.564 -0.000 10.117) 12.632 5.266 ( 2.442 0.000 12.289) 12.529 5.407 ( -12.306 -0.000 2.452) 12.548 5.512 ( 11.997 0.000 10.245) 15.776 5.903 ( -0.570 -0.000 -8.912) 8.931 6.007 ( 7.030 0.000 6.170) 9.354 6.045 ( 12.792 0.000 -29.383) 32.046 6.444 ( 8.505 0.000 -5.799) 10.294 6.486 ( 5.916 0.000 -1.520) 6.108 6.666 ( 5.329 0.000 -11.461) 12.639 6.950 ( -12.431 -0.000 9.319) 15.537 7.199 ( 0.888 0.000 -18.739) 18.760 7.527 ( -3.571 -0.000 -0.229) 3.578 7.714 ( 10.824 0.000 9.155) 14.177 7.863 ( 5.543 0.000 -6.805) 8.777 8.434 ( 5.586 0.000 -14.110) 15.176 8.611 ( -7.019 -0.000 -15.320) 16.851 9.295 ( -18.919 -0.000 13.713) 23.366 9.389 ( -13.615 -0.000 5.936) 14.853 9.490 ( 6.203 0.000 3.341) 7.045 9.542 ( -16.891 -0.000 20.095) 26.251 9.812 ( 2.599 0.000 -4.718) 5.386 10.035 ( -8.852 -0.000 4.561) 9.957 10.151 ( -0.856 -0.000 1.107) 1.399 10.210 ( -3.755 -0.000 5.542) 6.694 10.508 ( 4.225 0.000 -4.453) 6.138 10.546 ( -1.851 -0.000 -10.813) 10.971 10.982 ( -0.973 -0.000 3.749) 3.873 11.017 ( -0.256 -0.000 -1.822) 1.840 11.473 ( 9.844 0.000 12.137) 15.628 11.571 ( -3.111 -0.000 15.379) 15.691 11.999 ( 8.169 0.000 -0.712) 8.200 12.826 ( -0.511 -0.000 -16.495) 16.502 13.032 ( 1.041 0.000 -5.664) 5.759 13.110 ( -7.692 -0.000 -0.705) 7.724 13.577 ( -18.948 -0.000 2.044) 19.058 13.582 ( -14.120 -0.000 2.300) 14.306 14.208 ( -1.851 -0.000 11.395) 11.545 14.802 ( -3.768 -0.000 -5.116) 6.354 15.111 ( 7.922 0.000 8.452) 11.585 15.361 ( 10.886 0.000 3.934) 11.575 15.632 ( 6.765 0.000 -9.530) 11.687 16.117 ( 12.918 0.000 -22.514) 25.957 18.297 ( -14.743 -0.000 11.202) 18.516 18.808 ( -12.063 -0.000 -4.379) 12.833 19.126 ( 0.074 0.000 20.199) 20.199 19.138 ( -7.258 -0.000 13.731) 15.532 19.911 ( 13.762 0.000 1.881) 13.890 20.251 ( 7.680 0.000 -4.006) 8.662 20.302 ( 6.556 0.000 -25.600) 26.426 21.043 ( 9.144 0.000 -20.280) 22.246 22.994 ( -5.577 -0.000 16.490) 17.407 23.421 ( -1.683 -0.000 -1.552) 2.289 ======================= Grid point 149 (49/84) ======================= q-point: ( 0.25 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( 16.102 0.836 7.860) 17.937 2.280 ( 12.838 -4.424 7.857) 15.688 2.352 ( 16.944 -4.907 5.376) 18.441 2.502 ( 2.642 -0.018 0.560) 2.701 2.683 ( -15.136 -2.646 11.964) 19.474 2.932 ( -4.119 -12.108 -1.083) 12.836 3.332 ( -0.323 -0.528 -7.384) 7.410 3.533 ( 3.290 -1.704 -0.059) 3.706 3.973 ( 4.408 8.249 4.025) 10.182 4.107 ( -0.735 4.361 -2.238) 4.956 4.328 ( 2.738 -10.658 12.556) 16.696 4.451 ( -0.072 3.979 5.330) 6.652 4.593 ( -4.791 -4.465 5.954) 8.851 4.820 ( -1.853 3.593 13.024) 13.637 5.144 ( -1.652 9.866 6.731) 12.057 5.216 ( -6.013 4.214 9.428) 11.950 5.762 ( -7.829 -3.205 2.654) 8.866 5.929 ( 12.921 -0.817 6.835) 14.640 6.124 ( 11.769 3.901 -3.192) 12.803 6.247 ( 6.933 1.294 -21.543) 22.668 6.504 ( 9.536 13.562 -0.878) 16.602 6.586 ( -1.399 -3.550 -2.977) 4.840 6.610 ( -6.634 -3.154 1.121) 7.430 6.931 ( 0.651 -13.613 -3.804) 14.149 7.240 ( 1.972 -1.574 -21.062) 21.212 7.439 ( -6.992 -1.353 -2.908) 7.693 7.864 ( 5.371 2.617 -1.909) 6.272 8.006 ( 6.337 -8.683 0.148) 10.750 8.424 ( -9.502 6.420 -7.997) 13.981 8.530 ( 4.751 -0.465 -14.798) 15.549 8.972 ( -15.233 -2.705 13.289) 20.395 9.158 ( -12.751 -1.036 6.378) 14.295 9.320 ( -9.553 -0.135 14.631) 17.474 9.629 ( 8.855 4.099 2.809) 10.154 9.816 ( -7.096 3.404 2.556) 8.275 9.977 ( 1.518 -0.677 -3.838) 4.183 10.060 ( -1.426 -3.224 -0.263) 3.536 10.185 ( -0.812 -1.459 -2.746) 3.214 10.585 ( 3.598 -2.842 -1.163) 4.730 10.655 ( 10.224 -1.883 -4.478) 11.320 10.968 ( -3.066 1.074 0.706) 3.324 10.992 ( -0.226 -0.088 2.050) 2.064 11.515 ( -6.161 -4.279 15.767) 17.460 11.635 ( 9.693 1.407 14.762) 17.716 12.146 ( 8.974 1.207 0.335) 9.061 12.798 ( -0.313 3.231 -11.709) 12.150 12.945 ( -5.139 5.069 -0.170) 7.220 13.048 ( -1.155 -0.449 -6.243) 6.364 13.231 ( -17.628 2.830 0.932) 17.878 13.324 ( -15.308 1.547 -0.987) 15.418 14.221 ( 0.682 -2.870 8.731) 9.216 14.807 ( 1.307 -3.377 -6.877) 7.772 15.219 ( 4.144 0.104 6.827) 7.987 15.434 ( 6.286 9.963 3.829) 12.387 15.811 ( 5.541 -9.686 -8.538) 14.051 16.229 ( 2.223 1.488 -19.008) 19.195 18.062 ( -10.741 1.577 11.985) 16.171 18.607 ( -6.982 4.076 -1.967) 8.321 19.051 ( -8.048 -6.266 12.610) 16.218 19.164 ( -0.352 -3.998 18.663) 19.090 20.042 ( 10.453 14.190 -9.376) 19.963 20.271 ( 6.696 3.764 -0.590) 7.704 20.506 ( 3.108 -9.044 -21.995) 23.984 21.190 ( 5.793 -2.670 -17.403) 18.535 22.918 ( -2.565 0.622 17.803) 17.997 23.388 ( -1.700 0.335 -1.469) 2.271 ======================= Grid point 150 (50/84) ======================= q-point: ( 0.38 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( 2.421 7.294 0.953) 7.744 2.344 ( 3.342 1.216 1.534) 3.874 2.557 ( 1.713 -5.912 3.518) 7.090 2.685 ( 2.516 -11.191 6.981) 13.427 2.842 ( 19.314 -7.998 9.728) 23.057 3.160 ( 11.368 -8.182 -4.632) 14.753 3.327 ( 1.047 4.384 0.565) 4.542 3.615 ( 5.345 -3.230 -2.623) 6.773 3.783 ( -6.842 12.372 7.024) 15.787 4.057 ( -1.012 5.406 -9.925) 11.347 4.273 ( -7.180 -2.602 3.143) 8.258 4.419 ( -5.829 7.453 7.469) 12.054 4.550 ( -2.269 -9.736 -0.325) 10.003 4.946 ( -1.188 -5.649 7.155) 9.193 5.054 ( 0.504 5.303 8.338) 9.895 5.162 ( 8.361 1.972 20.178) 21.930 5.591 ( -12.718 -3.395 1.313) 13.229 5.932 ( -6.178 11.956 9.751) 16.619 6.178 ( -6.841 4.829 -5.569) 10.057 6.307 ( 11.498 1.726 3.337) 12.097 6.403 ( -9.002 -0.723 2.270) 9.312 6.592 ( 7.846 6.462 -6.045) 11.826 6.774 ( 5.611 -12.936 -0.060) 14.101 7.100 ( 3.604 -0.437 -8.198) 8.966 7.297 ( 4.310 -4.656 -11.805) 13.402 7.382 ( -0.650 -1.532 -15.945) 16.032 7.871 ( -1.360 0.266 -1.951) 2.393 8.136 ( -1.050 2.671 -2.353) 3.712 8.302 ( 1.206 -6.243 -3.190) 7.114 8.585 ( 0.979 -0.456 -14.724) 14.764 8.856 ( -8.991 -9.635 9.381) 16.176 9.004 ( -6.878 -2.355 5.388) 9.049 9.224 ( -1.368 0.285 13.969) 14.039 9.536 ( -6.352 8.571 4.269) 11.491 9.797 ( 9.542 7.749 0.557) 12.305 9.949 ( -0.983 -3.564 -1.565) 4.014 10.117 ( 2.228 2.092 -6.101) 6.824 10.302 ( 10.125 -0.447 -6.185) 11.873 10.697 ( 3.739 -4.193 1.866) 5.920 10.860 ( 9.399 -2.059 -0.803) 9.656 10.877 ( -5.697 0.181 0.335) 5.710 10.989 ( 0.009 0.522 4.256) 4.288 11.465 ( -9.196 -8.839 13.593) 18.640 11.768 ( 8.392 1.277 17.733) 19.660 12.231 ( 4.191 5.874 0.071) 7.216 12.693 ( -8.186 4.523 -4.060) 10.196 12.812 ( -4.572 5.391 -2.377) 7.458 12.944 ( -4.490 -0.642 3.528) 5.746 13.078 ( -8.778 -1.669 -7.178) 11.461 13.113 ( 1.501 0.518 -8.683) 8.827 14.274 ( 0.849 -2.965 8.003) 8.577 14.893 ( 2.012 -5.104 -7.101) 8.974 15.235 ( 0.036 3.393 3.643) 4.978 15.390 ( 1.635 7.235 4.514) 8.683 15.988 ( 0.985 -8.714 -9.578) 12.986 16.194 ( -3.169 1.236 -14.135) 14.538 17.910 ( -7.132 -1.661 12.592) 14.567 18.484 ( -2.606 3.173 0.574) 4.146 19.006 ( -8.808 -9.902 9.110) 16.082 19.203 ( 0.073 -3.272 17.161) 17.471 19.985 ( 9.525 20.174 -15.929) 27.413 20.355 ( 4.066 0.186 5.836) 7.115 20.617 ( 1.572 -3.639 -22.947) 23.287 21.288 ( 1.563 -2.737 -15.855) 16.165 22.890 ( -0.347 0.323 17.658) 17.665 23.361 ( -1.078 0.047 -1.167) 1.589 ======================= Grid point 151 (51/84) ======================= q-point: (-0.50 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( -1.271 6.877 1.177) 7.092 2.328 ( -7.618 -0.250 -2.817) 8.126 2.745 ( 11.744 -0.137 3.964) 12.396 2.810 ( 2.197 -3.376 7.688) 8.679 3.065 ( -4.515 7.102 4.805) 9.691 3.254 ( 3.110 2.121 3.667) 5.256 3.376 ( 11.980 4.113 4.193) 13.342 3.651 ( 5.096 3.027 2.357) 6.378 3.807 ( 8.114 -4.244 -6.296) 11.113 3.951 ( -0.091 4.796 -5.358) 7.192 4.150 ( -7.309 -3.492 7.637) 11.133 4.429 ( 7.672 -2.553 -1.798) 8.283 4.591 ( -4.889 -8.058 -1.521) 9.547 4.931 ( 0.600 1.884 -2.252) 2.997 4.997 ( -3.899 -0.396 17.354) 17.791 5.196 ( -5.024 6.363 13.473) 15.724 5.519 ( -4.278 -7.417 8.196) 11.853 5.547 ( -19.280 3.097 7.000) 20.744 5.939 ( -15.766 -0.873 -1.285) 15.842 6.230 ( -12.015 -1.546 -5.171) 13.172 6.528 ( 13.522 6.924 10.654) 18.555 6.597 ( 0.345 4.525 -3.679) 5.842 6.966 ( 1.070 -3.740 0.166) 3.894 7.126 ( 6.402 -1.670 -6.970) 9.610 7.393 ( 1.480 1.699 -14.736) 14.907 7.524 ( 13.303 -0.122 -8.810) 15.956 7.838 ( -2.625 -2.201 -1.687) 3.819 8.084 ( -0.224 0.122 -2.318) 2.332 8.392 ( 0.108 -1.311 -8.184) 8.289 8.579 ( -2.170 0.797 -14.338) 14.523 8.840 ( -6.477 -10.609 9.819) 15.840 9.026 ( 1.879 -6.928 4.692) 8.576 9.263 ( 5.379 0.376 14.323) 15.304 9.387 ( -0.451 2.142 7.781) 8.083 9.861 ( 6.168 1.948 -4.661) 7.972 10.035 ( 8.951 2.880 2.602) 9.756 10.130 ( 2.666 3.140 -6.116) 7.374 10.443 ( 10.679 5.789 -6.812) 13.927 10.728 ( -5.945 0.585 0.404) 5.987 10.793 ( -2.604 -0.067 -1.467) 2.990 10.965 ( 1.937 0.419 4.090) 4.545 11.027 ( 5.741 1.592 2.470) 6.450 11.402 ( -11.437 -9.575 12.383) 19.386 11.900 ( 7.260 -0.470 16.440) 17.977 12.094 ( -6.111 11.515 4.357) 13.745 12.522 ( -9.955 -4.210 -2.619) 11.121 12.688 ( -4.502 -0.944 -6.064) 7.611 13.009 ( 8.548 -3.326 3.319) 9.755 13.070 ( 2.978 -2.287 -5.325) 6.516 13.184 ( 4.769 -2.057 -10.770) 11.957 14.308 ( -0.106 -1.374 8.952) 9.058 14.977 ( -0.412 -5.631 -3.605) 6.698 15.154 ( -0.765 7.466 -1.115) 7.588 15.326 ( -1.955 3.194 4.481) 5.839 15.999 ( -7.687 -2.922 -10.386) 13.247 16.146 ( -3.222 -1.959 -12.180) 12.750 17.866 ( -3.727 -6.467 12.923) 14.924 18.439 ( 0.466 1.489 3.779) 4.089 18.990 ( -9.075 -12.757 5.203) 16.497 19.250 ( 0.686 -3.482 15.940) 16.330 19.922 ( 11.555 19.441 -16.866) 28.212 20.379 ( 0.671 2.890 7.367) 7.942 20.660 ( 0.795 -0.518 -23.683) 23.702 21.299 ( -2.721 -0.348 -15.762) 15.999 22.892 ( 0.792 0.022 17.456) 17.474 23.354 ( -0.164 -0.736 -0.936) 1.202 ======================= Grid point 152 (52/84) ======================= q-point: (-0.38 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( -7.755 5.351 3.633) 10.098 2.108 ( -16.794 0.149 0.003) 16.795 2.513 ( -14.982 16.513 9.932) 24.409 2.698 ( -11.437 17.719 7.421) 22.357 3.102 ( 13.371 -1.167 -0.032) 13.421 3.361 ( 3.535 -5.163 -0.679) 6.293 3.553 ( 12.619 4.980 -0.642) 13.581 3.696 ( 6.489 4.373 -1.757) 8.020 3.856 ( -3.379 -8.701 2.292) 9.611 4.049 ( 10.393 7.352 -1.634) 12.835 4.168 ( -0.098 -4.751 6.054) 7.696 4.532 ( -9.074 10.910 12.821) 19.124 4.672 ( 7.426 -5.535 0.378) 9.270 4.770 ( -1.339 10.020 12.657) 16.199 4.970 ( 4.572 -1.219 2.099) 5.176 5.029 ( -0.828 -6.355 13.294) 14.758 5.412 ( -8.847 -16.238 -4.658) 19.069 5.613 ( -2.443 -11.878 13.288) 17.989 5.747 ( -12.795 -9.773 -5.129) 16.898 6.032 ( -11.981 0.335 -10.650) 16.034 6.435 ( -3.955 13.811 1.263) 14.421 6.541 ( -5.691 0.232 -0.929) 5.771 6.963 ( -0.802 7.312 -2.599) 7.802 7.281 ( 6.999 -1.254 -0.053) 7.111 7.383 ( 2.260 5.221 -12.323) 13.573 7.639 ( 2.338 3.243 7.369) 8.383 7.879 ( 5.019 1.639 -12.647) 13.705 8.164 ( 4.948 -3.696 -2.824) 6.791 8.321 ( -3.223 4.438 -7.143) 9.006 8.492 ( -4.078 1.828 -14.284) 14.967 8.910 ( -1.710 -10.209 10.904) 15.034 9.159 ( 4.948 -5.499 4.834) 8.837 9.377 ( 8.948 -1.598 13.693) 16.435 9.526 ( 7.251 -10.952 9.717) 16.338 9.973 ( 7.559 -0.343 -4.833) 8.979 10.083 ( -1.590 1.725 -2.812) 3.662 10.188 ( 12.713 6.642 2.804) 14.615 10.498 ( 0.074 9.484 -1.386) 9.585 10.587 ( -2.729 1.336 -7.582) 8.169 10.719 ( -1.601 4.100 -5.753) 7.244 10.998 ( 2.828 1.076 2.710) 4.062 11.059 ( 1.838 4.444 0.231) 4.814 11.322 ( -8.051 -6.476 14.499) 17.804 11.870 ( -3.790 9.215 10.288) 14.322 11.983 ( 0.468 -0.390 6.677) 6.704 12.441 ( -8.433 -9.073 4.088) 13.044 12.726 ( 1.165 -8.470 -9.492) 12.775 13.145 ( 5.422 1.194 -7.223) 9.111 13.282 ( 12.039 -8.825 1.052) 14.964 13.328 ( 6.005 -7.484 -5.033) 10.835 14.309 ( -0.266 0.244 11.542) 11.548 14.951 ( -8.594 -2.046 8.342) 12.150 15.117 ( 7.083 5.582 -11.897) 14.929 15.245 ( -3.092 3.325 4.553) 6.430 15.866 ( -9.348 -0.473 -11.118) 14.533 16.063 ( -9.389 -0.666 -13.591) 16.532 17.942 ( -0.122 -11.840 12.933) 17.535 18.464 ( 2.818 -1.155 8.454) 8.985 19.001 ( -9.495 -15.301 0.694) 18.021 19.308 ( 0.884 -3.856 15.293) 15.797 19.917 ( 14.065 18.004 -18.812) 29.595 20.305 ( -2.478 6.860 8.944) 11.541 20.666 ( 1.197 1.954 -23.755) 23.866 21.196 ( -7.653 3.172 -16.524) 18.484 22.917 ( 1.669 -0.945 17.436) 17.541 23.373 ( 0.600 -1.582 -0.963) 1.947 ======================= Grid point 153 (53/84) ======================= q-point: (-0.25 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( -9.471 6.177 7.854) 13.768 1.817 ( -14.450 1.545 3.393) 14.923 2.037 ( -11.101 21.007 18.057) 29.842 2.294 ( -12.601 13.683 10.892) 21.556 3.243 ( 2.618 -2.047 -9.109) 9.696 3.420 ( -0.360 2.090 -11.051) 11.253 3.593 ( 5.653 12.175 13.233) 18.849 3.790 ( -4.943 23.581 19.880) 31.236 3.898 ( 5.474 2.647 1.415) 6.243 3.985 ( 0.894 -14.456 9.122) 17.116 4.119 ( -1.712 2.981 -3.228) 4.715 4.290 ( -0.071 -2.673 5.620) 6.223 4.833 ( 8.031 1.707 7.830) 11.345 4.931 ( 8.234 -4.260 2.037) 9.492 5.096 ( 6.219 -1.231 6.973) 9.424 5.206 ( 3.911 -14.943 12.448) 19.838 5.509 ( -3.716 -14.396 -4.602) 15.563 5.678 ( -8.310 -19.121 8.899) 22.669 5.795 ( 3.747 -8.423 -6.289) 11.160 5.845 ( -7.967 -0.478 -15.492) 17.427 6.210 ( -2.008 12.431 -0.733) 12.613 6.399 ( -11.191 -1.842 -6.102) 12.879 6.760 ( -6.015 14.207 -1.010) 15.461 7.327 ( 0.457 6.477 -13.197) 14.708 7.379 ( 4.678 2.573 3.124) 6.186 7.593 ( -2.491 2.677 11.314) 11.890 7.849 ( 0.179 13.629 -11.821) 18.042 8.063 ( -1.793 10.801 -2.467) 11.224 8.382 ( -1.457 -0.439 -12.543) 12.635 8.494 ( 4.262 -8.336 -12.655) 15.741 9.004 ( -0.304 -9.347 15.307) 17.938 9.338 ( 5.475 -8.202 6.442) 11.779 9.579 ( 10.685 -1.921 11.355) 15.710 9.797 ( 5.335 -13.508 7.622) 16.402 10.003 ( -1.101 3.093 1.266) 3.519 10.122 ( 4.667 -1.660 -2.285) 5.455 10.262 ( -3.648 2.318 0.064) 4.323 10.325 ( 1.127 8.671 -3.713) 9.500 10.528 ( 3.701 7.373 -4.922) 9.606 10.752 ( 8.283 3.027 -7.762) 11.748 10.985 ( -5.262 1.775 -1.862) 5.858 11.013 ( -1.022 -0.593 -2.214) 2.510 11.345 ( 6.438 -0.707 16.174) 17.423 11.715 ( -5.477 5.896 12.148) 14.571 11.942 ( -2.685 2.034 -2.236) 4.043 12.464 ( -5.104 -13.769 9.663) 17.578 12.863 ( 1.422 -8.037 -11.968) 14.486 13.207 ( 4.097 1.678 -8.097) 9.229 13.538 ( 5.491 -13.169 0.622) 14.282 13.615 ( 10.297 -11.448 -0.536) 15.407 14.301 ( -0.081 0.547 15.508) 15.518 14.820 ( -7.689 -1.594 11.294) 13.755 15.143 ( -2.244 5.743 5.567) 8.307 15.216 ( 12.182 5.636 -12.382) 18.262 15.713 ( -6.801 2.531 -13.448) 15.281 15.831 ( -17.378 1.831 -14.606) 22.774 18.141 ( 2.818 -17.049 12.791) 21.500 18.562 ( 4.106 -5.100 15.330) 16.670 19.039 ( -8.578 -17.496 -5.764) 20.320 19.367 ( 0.867 -3.394 15.691) 16.077 19.941 ( 12.992 18.244 -22.735) 31.914 20.140 ( -4.015 10.608 8.756) 14.329 20.650 ( 2.611 7.544 -19.162) 20.758 20.970 ( -11.838 4.998 -18.665) 22.661 22.976 ( 2.229 -3.396 16.684) 17.171 23.407 ( 0.744 -1.968 -1.149) 2.397 ======================= Grid point 154 (54/84) ======================= q-point: (-0.12 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( -0.000 10.250 16.111) 19.095 1.673 ( -0.000 0.194 2.847) 2.853 1.704 ( -0.000 17.429 27.817) 32.826 2.038 ( -0.000 7.737 13.802) 15.823 3.121 ( -0.000 27.271 43.340) 51.207 3.368 ( -0.000 2.988 -16.592) 16.859 3.389 ( -0.000 1.158 -0.838) 1.429 3.645 ( -0.000 9.717 1.388) 9.816 3.994 ( -0.000 9.315 -9.591) 13.370 4.078 ( 0.000 -4.324 7.331) 8.511 4.184 ( 0.000 -23.386 6.557) 24.288 4.368 ( 0.000 -6.600 -1.446) 6.757 4.894 ( -0.000 0.649 15.832) 15.845 4.994 ( -0.000 4.780 -1.333) 4.962 5.159 ( 0.000 -1.635 8.740) 8.891 5.419 ( 0.000 -11.958 16.830) 20.645 5.591 ( 0.000 -7.932 -7.040) 10.606 5.724 ( 0.000 -2.063 -14.721) 14.865 5.941 ( 0.000 -17.512 6.974) 18.850 6.012 ( 0.000 -14.663 -13.766) 20.112 6.048 ( -0.000 10.513 0.755) 10.540 6.294 ( 0.000 -1.306 -8.802) 8.899 6.499 ( -0.000 15.551 -1.472) 15.621 7.260 ( -0.000 4.845 -16.351) 17.054 7.361 ( -0.000 9.297 3.455) 9.918 7.525 ( -0.000 3.063 11.809) 12.200 7.653 ( -0.000 12.114 -1.526) 12.210 7.931 ( -0.000 10.904 -5.293) 12.121 8.347 ( -0.000 1.664 -13.073) 13.178 8.635 ( 0.000 -7.244 -16.447) 17.972 9.135 ( 0.000 -12.587 15.203) 19.738 9.482 ( 0.000 -6.835 7.591) 10.215 9.712 ( 0.000 -0.977 9.554) 9.604 9.950 ( -0.000 1.914 4.626) 5.006 9.966 ( 0.000 -5.789 3.333) 6.680 10.165 ( 0.000 -2.158 -2.408) 3.234 10.166 ( -0.000 11.248 -4.223) 12.014 10.280 ( 0.000 -3.297 -1.791) 3.752 10.526 ( -0.000 6.021 -0.561) 6.047 10.860 ( -0.000 2.133 0.864) 2.302 10.876 ( 0.000 -1.416 -9.335) 9.442 11.012 ( 0.000 -3.031 -3.636) 4.733 11.505 ( -0.000 6.775 18.168) 19.390 11.513 ( 0.000 -0.088 7.350) 7.350 11.887 ( -0.000 2.438 -4.157) 4.819 12.600 ( 0.000 -16.143 5.369) 17.013 12.937 ( 0.000 -3.302 -12.975) 13.388 13.234 ( -0.000 0.406 -7.270) 7.282 13.785 ( 0.000 -15.387 1.051) 15.423 13.853 ( 0.000 -10.970 -0.771) 10.997 14.295 ( 0.000 -0.302 18.781) 18.784 14.790 ( 0.000 -6.701 13.963) 15.488 15.034 ( -0.000 8.465 5.820) 10.273 15.372 ( -0.000 5.792 -17.680) 18.604 15.491 ( -0.000 6.051 -8.033) 10.057 15.601 ( -0.000 5.927 -14.160) 15.351 18.406 ( 0.000 -19.569 12.408) 23.171 18.701 ( 0.000 -11.312 19.407) 22.464 19.171 ( 0.000 -17.893 -11.729) 21.394 19.406 ( 0.000 -1.722 17.114) 17.200 19.842 ( -0.000 22.405 -25.703) 34.098 19.956 ( -0.000 10.526 8.945) 13.814 20.493 ( -0.000 19.162 -7.911) 20.731 20.825 ( 0.000 -0.416 -24.340) 24.343 23.059 ( 0.000 -5.830 14.132) 15.287 23.437 ( 0.000 -1.547 -1.344) 2.049 ======================= Grid point 157 (55/84) ======================= q-point: ( 0.25 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( 6.791 0.000 2.598) 7.271 2.365 ( -0.743 -0.000 -3.323) 3.405 2.424 ( 5.170 0.000 3.917) 6.486 2.522 ( 5.906 0.000 0.865) 5.969 2.828 ( 15.668 0.000 4.409) 16.277 2.950 ( 18.303 0.000 3.559) 18.646 3.395 ( 8.847 0.000 -3.208) 9.411 3.557 ( 0.722 0.000 3.446) 3.521 4.072 ( -3.224 -0.000 -6.713) 7.447 4.105 ( -7.021 -0.000 0.636) 7.050 4.206 ( 1.259 0.000 0.787) 1.485 4.361 ( -5.614 -0.000 5.043) 7.547 4.663 ( 0.518 0.000 13.156) 13.167 4.693 ( -9.434 -0.000 13.495) 16.465 5.185 ( -2.388 -0.000 1.873) 3.035 5.202 ( 4.300 0.000 19.961) 20.419 5.507 ( -19.566 -0.000 1.765) 19.646 6.211 ( 5.906 0.000 14.063) 15.253 6.260 ( -7.570 -0.000 -13.127) 15.153 6.283 ( 2.376 0.000 5.195) 5.713 6.411 ( 4.691 0.000 1.064) 4.810 6.509 ( -4.751 -0.000 -3.915) 6.156 6.716 ( 6.007 0.000 -1.725) 6.250 7.053 ( 16.246 0.000 -14.956) 22.082 7.236 ( -3.355 -0.000 -9.023) 9.626 7.359 ( 2.901 0.000 -17.715) 17.951 7.894 ( -2.911 -0.000 -1.539) 3.292 8.105 ( 10.543 0.000 -0.316) 10.548 8.280 ( -11.728 -0.000 -2.538) 11.999 8.576 ( 0.303 0.000 -12.709) 12.713 8.701 ( -10.351 -0.000 11.837) 15.724 8.974 ( -7.378 -0.000 4.601) 8.695 9.225 ( -1.037 -0.000 14.771) 14.807 9.676 ( -8.286 -0.000 1.456) 8.412 9.868 ( -5.864 -0.000 -3.257) 6.708 9.937 ( 14.443 0.000 -5.917) 15.608 10.195 ( 13.366 0.000 -2.262) 13.556 10.218 ( 5.676 0.000 -2.261) 6.110 10.640 ( 5.200 0.000 1.699) 5.470 10.826 ( 9.657 0.000 -2.552) 9.988 10.889 ( -5.089 -0.000 0.377) 5.103 10.995 ( -0.153 -0.000 5.536) 5.538 11.352 ( -9.857 -0.000 14.068) 17.178 11.787 ( 7.228 0.000 18.594) 19.950 12.288 ( 5.803 0.000 -3.806) 6.940 12.788 ( -9.959 -0.000 -7.485) 12.458 12.910 ( -4.822 -0.000 0.882) 4.902 12.914 ( -1.686 -0.000 1.330) 2.147 13.042 ( -17.396 -0.000 -0.366) 17.400 13.122 ( 0.553 0.000 -9.119) 9.136 14.229 ( 1.787 0.000 7.603) 7.810 14.826 ( 2.619 0.000 -7.466) 7.912 15.264 ( 0.832 0.000 5.485) 5.548 15.569 ( 0.069 0.000 5.141) 5.141 15.799 ( 2.555 0.000 -11.144) 11.433 16.212 ( -4.529 -0.000 -16.560) 17.168 17.893 ( -9.646 -0.000 12.388) 15.701 18.509 ( -5.636 -0.000 -6.011) 8.240 18.897 ( -6.438 -0.000 15.828) 17.087 19.164 ( 1.672 0.000 20.889) 20.955 20.283 ( 8.272 0.000 0.523) 8.289 20.403 ( 1.212 0.000 -31.330) 31.353 20.493 ( 5.939 0.000 -5.970) 8.421 21.243 ( 2.498 0.000 -14.759) 14.969 22.895 ( -0.590 -0.000 17.663) 17.673 23.362 ( -1.515 -0.000 -1.150) 1.902 ======================= Grid point 158 (56/84) ======================= q-point: ( 0.38 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( -7.192 2.190 -3.278) 8.202 2.351 ( -4.725 2.755 -6.132) 8.217 2.623 ( 2.850 -6.709 -1.947) 7.544 2.691 ( 20.947 -3.083 6.864) 22.257 3.082 ( 13.828 3.811 4.062) 14.908 3.318 ( 11.178 -6.774 -0.401) 13.077 3.507 ( 9.084 7.095 4.051) 12.218 3.709 ( 16.198 -4.392 -0.761) 16.800 3.862 ( -4.227 12.659 3.558) 13.812 3.948 ( -11.634 -1.560 -2.446) 11.990 4.280 ( 3.264 7.000 2.318) 8.064 4.357 ( -3.860 -4.391 3.553) 6.841 4.445 ( -1.455 1.555 2.162) 3.034 4.738 ( -6.692 -15.059 9.685) 19.114 5.055 ( -12.696 4.691 0.644) 13.550 5.207 ( -9.463 -1.415 8.400) 12.732 5.266 ( -3.928 -7.419 12.527) 15.080 5.904 ( -15.000 10.304 7.530) 19.694 6.112 ( -13.301 -3.550 4.028) 14.344 6.171 ( -9.008 17.344 -1.520) 19.603 6.612 ( 3.250 -6.706 -2.786) 7.956 6.692 ( 17.592 -0.201 9.700) 20.090 6.809 ( 7.677 -0.821 -0.349) 7.729 7.050 ( -7.562 -3.356 -10.184) 13.121 7.373 ( 6.599 -1.867 -15.363) 16.824 7.529 ( 16.998 0.423 -13.708) 21.840 7.828 ( -4.033 0.793 1.907) 4.531 8.099 ( -5.890 0.629 1.405) 6.087 8.296 ( 7.214 -4.201 -4.753) 9.606 8.554 ( -2.959 -3.126 -5.531) 7.008 8.636 ( -2.955 -3.738 3.475) 5.897 8.901 ( -2.670 -2.308 3.914) 5.270 9.272 ( 6.192 0.298 13.719) 15.055 9.520 ( -5.154 5.382 2.293) 7.797 9.815 ( -1.930 -3.159 -4.987) 6.211 10.121 ( 7.646 1.875 -8.886) 11.872 10.288 ( 12.213 9.701 0.265) 15.599 10.485 ( 12.372 -3.961 -5.208) 13.995 10.718 ( 0.574 -1.071 3.053) 3.286 10.775 ( -5.343 0.137 -0.971) 5.432 10.991 ( 6.470 1.341 2.625) 7.110 11.031 ( 6.832 -0.872 4.260) 8.098 11.190 ( -12.640 -5.843 12.558) 18.752 11.885 ( 4.599 -0.021 20.558) 21.066 12.320 ( -0.274 3.335 -6.441) 7.258 12.485 ( -17.395 2.291 -0.839) 17.565 12.714 ( -14.028 1.333 -1.742) 14.198 12.958 ( 5.251 -0.417 2.680) 5.911 13.010 ( 5.876 -2.435 -1.601) 6.558 13.146 ( 1.528 -1.040 -10.661) 10.820 14.266 ( 1.255 -1.362 8.248) 8.454 14.875 ( 0.916 -2.441 -6.001) 6.543 15.252 ( -0.961 1.077 1.817) 2.320 15.469 ( -3.733 7.189 4.062) 9.062 15.868 ( -2.287 -6.640 -12.460) 14.302 16.113 ( -6.302 -0.508 -13.419) 14.834 17.757 ( -7.478 -2.221 13.537) 15.624 18.443 ( -2.861 -1.169 -6.003) 6.752 18.809 ( -5.802 -2.173 15.306) 16.513 19.200 ( 1.614 -1.176 19.570) 19.671 20.313 ( 5.751 11.831 -21.489) 25.196 20.426 ( 3.094 0.682 -0.481) 3.204 20.611 ( 3.123 -3.349 -17.375) 17.968 21.272 ( -0.213 -1.156 -13.306) 13.357 22.896 ( 0.635 0.137 17.227) 17.239 23.342 ( -0.945 -0.282 -0.647) 1.179 ======================= Grid point 159 (57/84) ======================= q-point: (-0.50 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( -16.060 -0.545 -0.738) 16.086 2.168 ( -9.915 5.795 -4.350) 12.280 2.711 ( -3.327 -4.584 3.255) 6.533 3.004 ( -2.591 2.254 6.469) 7.324 3.115 ( 10.697 7.122 -1.200) 12.908 3.325 ( -0.374 8.906 8.122) 12.059 3.607 ( 7.604 4.942 4.466) 10.109 3.826 ( -3.635 0.616 -0.654) 3.744 3.836 ( 3.825 2.950 -8.846) 10.079 4.010 ( 14.735 -2.162 0.964) 14.924 4.194 ( 4.097 2.362 2.200) 5.216 4.395 ( 3.185 -6.959 2.312) 7.995 4.561 ( 7.521 -4.441 0.870) 8.778 4.836 ( -1.998 -11.755 6.698) 13.676 4.857 ( -10.734 -9.242 5.607) 15.234 5.081 ( -7.197 -2.662 3.959) 8.635 5.338 ( -0.644 -6.257 9.931) 11.755 5.514 ( -9.587 18.900 4.916) 21.756 5.713 ( -14.770 15.267 4.974) 21.816 5.980 ( -10.159 -5.599 1.349) 11.678 6.590 ( -5.616 3.588 -3.886) 7.714 6.704 ( -6.900 6.847 0.913) 9.764 7.009 ( 7.353 -4.969 0.898) 8.920 7.167 ( 7.305 -5.137 2.163) 9.189 7.450 ( 3.831 -0.058 -13.461) 13.996 7.719 ( -1.118 2.985 7.295) 7.961 7.825 ( 10.009 -3.339 -8.275) 13.410 8.091 ( 4.310 -0.821 -2.729) 5.167 8.406 ( 1.611 0.018 -9.891) 10.022 8.543 ( -3.132 1.117 -11.709) 12.172 8.666 ( 0.527 -8.059 9.954) 12.819 8.960 ( 1.592 -8.748 3.836) 9.683 9.402 ( 5.511 3.918 10.446) 12.444 9.426 ( 5.734 0.379 10.211) 11.717 9.873 ( 2.111 -5.904 -4.503) 7.719 10.156 ( 0.836 3.393 -5.205) 6.270 10.367 ( 7.506 7.675 1.656) 10.862 10.608 ( -6.564 1.682 -3.748) 7.743 10.672 ( 7.099 3.780 -4.392) 9.164 10.748 ( -1.157 -1.038 -2.140) 2.645 11.052 ( -0.813 -1.580 5.884) 6.146 11.091 ( -1.318 -2.129 -0.910) 2.664 11.191 ( 7.796 -0.231 11.536) 13.925 11.921 ( -2.804 -0.507 13.229) 13.532 12.148 ( -6.631 8.967 6.647) 12.983 12.292 ( -6.957 -3.417 -0.524) 7.768 12.568 ( -4.966 -4.551 -5.333) 8.591 13.092 ( 4.880 -5.084 0.213) 7.051 13.135 ( 6.242 -3.163 0.829) 7.047 13.213 ( 4.137 -1.701 -11.375) 12.222 14.297 ( 0.842 -0.856 10.632) 10.700 14.890 ( -3.176 -2.053 -0.273) 3.792 15.236 ( 2.105 1.531 -5.824) 6.379 15.326 ( -3.910 4.751 4.032) 7.357 15.834 ( -6.706 -1.728 -12.853) 14.600 16.028 ( -6.732 -2.066 -12.936) 14.729 17.706 ( -4.704 -6.872 14.275) 16.526 18.439 ( -0.206 -2.585 -4.018) 4.782 18.747 ( -6.148 -4.092 12.775) 14.756 19.246 ( 1.546 -2.036 18.337) 18.514 20.277 ( 7.209 11.645 -26.642) 29.956 20.439 ( 1.320 3.919 7.801) 8.830 20.678 ( 2.414 -0.767 -21.954) 22.099 21.246 ( -3.326 1.168 -13.092) 13.559 22.909 ( 1.046 0.048 17.000) 17.033 23.340 ( -0.247 -1.063 -0.326) 1.139 ======================= Grid point 160 (58/84) ======================= q-point: (-0.38 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( -14.771 -1.104 2.116) 14.962 1.916 ( -10.359 5.154 -0.107) 11.571 2.552 ( -5.163 16.792 9.005) 19.741 2.680 ( -12.886 14.430 8.257) 21.035 3.219 ( 3.004 1.954 -5.508) 6.571 3.290 ( 0.891 -5.890 6.419) 8.758 3.667 ( -5.456 2.239 -10.213) 11.794 3.783 ( 1.603 0.428 1.631) 2.327 3.830 ( 6.857 -1.978 1.963) 7.401 4.215 ( 4.746 -1.523 4.427) 6.667 4.310 ( 10.529 7.291 -1.295) 12.872 4.634 ( 6.058 6.249 8.193) 11.954 4.718 ( 4.398 -1.199 8.308) 9.477 4.817 ( -2.698 -12.324 11.665) 17.183 4.976 ( 0.268 -15.788 0.150) 15.791 5.028 ( 2.292 19.743 13.855) 24.228 5.101 ( -5.198 -12.605 -0.416) 13.641 5.395 ( -8.071 1.648 4.611) 9.441 5.518 ( -4.095 -12.332 -4.170) 13.647 5.941 ( 3.880 2.042 -1.526) 4.643 6.386 ( -12.485 3.480 -3.757) 13.495 6.472 ( -8.359 7.340 -2.045) 11.310 7.058 ( 0.592 9.580 1.304) 9.686 7.284 ( 0.770 -7.849 3.774) 8.743 7.503 ( 3.734 4.717 -9.707) 11.420 7.649 ( -2.505 1.797 11.145) 11.564 8.028 ( 7.502 -0.778 -11.177) 13.484 8.224 ( 7.550 -3.588 -4.942) 9.711 8.340 ( -2.852 8.534 -7.947) 12.005 8.451 ( -3.694 1.132 -12.613) 13.191 8.803 ( 1.992 -8.219 10.851) 13.757 9.122 ( 2.454 -10.884 3.108) 11.582 9.449 ( 3.984 -4.097 11.237) 12.607 9.625 ( 11.987 -1.068 13.713) 18.244 10.008 ( 3.820 -6.917 -2.802) 8.384 10.095 ( -1.481 4.532 0.071) 4.769 10.277 ( -10.988 0.756 3.040) 11.426 10.516 ( 0.220 5.305 -10.179) 11.480 10.682 ( 4.090 3.887 -2.708) 6.259 10.792 ( 2.809 -0.057 -3.958) 4.854 11.030 ( -4.180 0.734 -1.778) 4.601 11.072 ( 1.096 4.548 -4.477) 6.475 11.342 ( 11.916 1.650 14.130) 18.558 11.798 ( -9.329 0.818 9.509) 13.347 11.994 ( -5.074 1.730 -0.389) 5.375 12.267 ( -0.943 -1.949 17.109) 17.245 12.630 ( 0.523 -9.973 -9.492) 13.778 13.215 ( 2.485 -7.514 0.377) 7.923 13.286 ( 2.232 -0.682 -9.547) 9.828 13.339 ( 6.164 -10.705 -1.445) 12.437 14.314 ( 0.767 0.412 14.112) 14.139 14.816 ( -5.233 0.825 5.864) 7.902 15.234 ( -2.209 2.080 4.981) 5.832 15.311 ( 7.887 0.442 -12.615) 14.884 15.731 ( -4.757 1.247 -13.177) 14.065 15.886 ( -10.701 1.784 -13.747) 17.513 17.768 ( -1.707 -12.606 14.181) 19.051 18.503 ( 3.526 -3.389 2.282) 5.397 18.697 ( -7.545 -7.344 6.807) 12.538 19.300 ( 1.258 -2.778 17.584) 17.847 20.273 ( 6.823 9.927 -30.525) 32.815 20.374 ( -0.447 8.029 10.223) 13.007 20.730 ( 4.079 0.412 -22.674) 23.041 21.118 ( -6.723 6.279 -12.590) 15.593 22.930 ( 0.944 -0.729 16.998) 17.040 23.358 ( 0.194 -1.927 -0.391) 1.976 ======================= Grid point 161 (59/84) ======================= q-point: (-0.25 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( 0.000 -0.824 3.007) 3.118 1.755 ( -0.000 5.613 3.560) 6.647 2.235 ( -0.000 25.636 12.553) 28.544 2.360 ( -0.000 16.658 14.215) 21.898 3.235 ( 0.000 -1.723 -12.147) 12.269 3.408 ( 0.000 -5.516 -4.460) 7.094 3.628 ( 0.000 -11.464 -4.487) 12.311 3.783 ( -0.000 3.447 6.378) 7.250 3.970 ( 0.000 -6.518 1.915) 6.793 4.141 ( -0.000 36.075 29.998) 46.918 4.263 ( 0.000 -1.561 3.652) 3.972 4.307 ( -0.000 19.057 -0.276) 19.059 4.952 ( 0.000 -7.408 1.115) 7.491 4.952 ( -0.000 4.766 9.133) 10.302 5.020 ( 0.000 -20.431 13.762) 24.634 5.159 ( 0.000 -1.034 -0.044) 1.035 5.270 ( 0.000 -27.347 5.204) 27.838 5.351 ( 0.000 -8.730 -0.303) 8.735 5.625 ( 0.000 -14.139 -7.185) 15.860 5.965 ( -0.000 11.964 -6.177) 13.465 6.212 ( 0.000 -5.123 -3.519) 6.216 6.304 ( -0.000 8.540 -2.914) 9.024 6.893 ( -0.000 15.290 1.532) 15.366 7.365 ( 0.000 -2.702 -2.371) 3.595 7.463 ( -0.000 6.225 -4.928) 7.939 7.597 ( -0.000 2.496 12.232) 12.484 8.021 ( -0.000 11.677 -13.656) 17.968 8.179 ( -0.000 10.600 -3.527) 11.171 8.387 ( -0.000 1.389 -12.356) 12.434 8.410 ( 0.000 -10.090 -9.990) 14.199 8.909 ( 0.000 -7.230 14.557) 16.253 9.274 ( 0.000 -9.919 4.502) 10.893 9.595 ( 0.000 -11.197 9.976) 14.997 9.775 ( 0.000 -2.261 13.353) 13.543 10.019 ( -0.000 3.833 2.965) 4.846 10.121 ( 0.000 -1.008 0.023) 1.008 10.158 ( 0.000 -6.541 -1.698) 6.758 10.428 ( -0.000 8.554 -11.105) 14.018 10.727 ( -0.000 7.471 -4.385) 8.663 10.814 ( 0.000 -5.990 0.779) 6.041 10.922 ( -0.000 6.211 -6.711) 9.144 11.026 ( -0.000 4.056 -5.895) 7.155 11.518 ( -0.000 0.679 8.210) 8.238 11.628 ( -0.000 1.880 17.344) 17.445 11.936 ( -0.000 1.164 -4.397) 4.549 12.297 ( 0.000 -6.164 18.713) 19.703 12.767 ( 0.000 -10.391 -11.081) 15.191 13.273 ( -0.000 2.882 -9.787) 10.203 13.396 ( 0.000 -15.250 2.067) 15.389 13.549 ( 0.000 -13.445 -2.005) 13.594 14.310 ( -0.000 1.149 16.689) 16.729 14.746 ( -0.000 1.245 9.933) 10.010 15.186 ( -0.000 3.563 5.337) 6.417 15.442 ( 0.000 -1.436 -17.315) 17.374 15.650 ( -0.000 6.294 -9.174) 11.126 15.690 ( -0.000 3.954 -15.710) 16.200 17.940 ( 0.000 -17.538 13.443) 22.098 18.586 ( 0.000 -0.126 21.205) 21.206 18.736 ( 0.000 -16.118 -11.431) 19.760 19.348 ( 0.000 -2.961 17.350) 17.601 20.225 ( -0.000 10.721 -33.390) 35.069 20.247 ( -0.000 11.410 10.516) 15.516 20.803 ( 0.000 -1.455 -24.278) 24.321 20.896 ( -0.000 13.995 -9.098) 16.692 22.958 ( 0.000 -2.371 16.864) 17.030 23.387 ( 0.000 -2.336 -0.742) 2.451 ======================= Grid point 166 (60/84) ======================= q-point: ( 0.38 -0.62 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( -17.223 -0.000 -0.544) 17.232 2.256 ( -10.126 -0.000 -9.232) 13.703 2.565 ( -6.140 -0.000 7.129) 9.408 3.021 ( 16.474 0.000 6.534) 17.723 3.365 ( 2.581 0.000 -0.886) 2.729 3.387 ( 10.674 0.000 9.299) 14.157 3.637 ( 7.173 0.000 -10.507) 12.722 3.828 ( 0.660 0.000 -5.102) 5.144 3.846 ( -5.848 -0.000 -0.637) 5.883 4.035 ( 13.867 0.000 -2.674) 14.123 4.346 ( -8.228 -0.000 9.369) 12.469 4.347 ( 7.942 0.000 7.662) 11.035 4.484 ( -0.472 -0.000 7.380) 7.395 4.508 ( 4.269 0.000 0.103) 4.270 4.702 ( -18.478 -0.000 5.456) 19.266 5.154 ( 0.229 0.000 -4.612) 4.618 5.157 ( -5.985 -0.000 9.979) 11.636 5.762 ( -16.211 -0.000 -10.826) 19.493 5.807 ( -5.639 -0.000 20.353) 21.120 6.248 ( -7.108 -0.000 7.791) 10.546 6.502 ( -1.429 -0.000 2.293) 2.702 6.816 ( -13.766 -0.000 -9.306) 16.616 6.821 ( 0.558 0.000 1.737) 1.824 7.151 ( 22.596 0.000 9.082) 24.353 7.426 ( 1.022 0.000 -14.720) 14.755 7.754 ( -4.989 -0.000 6.940) 8.547 7.789 ( 10.224 0.000 -6.041) 11.876 8.089 ( 6.652 0.000 -2.459) 7.092 8.386 ( 3.983 0.000 -7.594) 8.575 8.500 ( 1.165 0.000 -0.108) 1.170 8.613 ( 0.207 0.000 -2.294) 2.303 8.849 ( -1.404 -0.000 3.273) 3.562 9.420 ( 10.361 0.000 13.479) 17.001 9.506 ( 0.287 0.000 2.738) 2.753 9.771 ( -0.437 -0.000 -3.299) 3.328 10.203 ( 2.130 0.000 -7.142) 7.452 10.493 ( -4.553 -0.000 -0.068) 4.553 10.647 ( 7.746 0.000 -5.970) 9.779 10.707 ( 0.840 0.000 0.303) 0.893 10.719 ( 4.584 0.000 -1.683) 4.883 10.921 ( -12.312 -0.000 11.169) 16.623 11.131 ( 5.903 0.000 -2.856) 6.558 11.194 ( 13.120 0.000 9.191) 16.020 11.917 ( -1.240 -0.000 19.978) 20.016 12.206 ( -14.115 -0.000 -4.998) 14.974 12.341 ( -2.114 -0.000 -4.496) 4.968 12.489 ( -9.757 -0.000 4.010) 10.548 13.031 ( 4.437 0.000 0.465) 4.461 13.089 ( 0.192 0.000 -0.646) 0.674 13.198 ( 7.796 0.000 -8.977) 11.890 14.284 ( 1.777 0.000 10.081) 10.236 14.864 ( -0.665 -0.000 -4.945) 4.989 15.238 ( -0.832 -0.000 -0.938) 1.254 15.406 ( -7.792 -0.000 5.471) 9.521 15.802 ( -1.550 -0.000 -16.701) 16.773 15.998 ( -6.038 -0.000 -13.111) 14.435 17.625 ( -5.975 -0.000 14.934) 16.085 18.390 ( -2.079 -0.000 -8.793) 9.036 18.724 ( -3.607 -0.000 17.914) 18.273 19.218 ( 1.268 0.000 18.821) 18.864 20.439 ( 1.184 0.000 -33.673) 33.694 20.480 ( 3.445 0.000 7.211) 7.992 20.655 ( 3.822 0.000 -17.062) 17.485 21.259 ( -0.756 -0.000 -11.322) 11.348 22.911 ( 0.975 0.000 16.774) 16.802 23.326 ( -0.599 -0.000 -0.025) 0.599 ======================= Grid point 168 (61/84) ======================= q-point: (-0.50 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( -15.451 -1.120 2.411) 15.678 2.034 ( -11.183 4.364 -6.299) 13.557 2.458 ( -11.138 -10.531 16.294) 22.371 3.102 ( 1.080 14.596 7.210) 16.315 3.366 ( 6.286 7.229 -0.315) 9.585 3.461 ( 3.084 8.129 7.769) 11.660 3.695 ( -3.027 2.423 -10.973) 11.637 3.732 ( -2.860 -0.878 -3.458) 4.573 3.948 ( 3.450 5.310 -5.213) 8.202 4.130 ( 1.915 -11.484 0.247) 11.645 4.207 ( 5.024 -0.362 5.472) 7.437 4.489 ( -7.857 -8.018 11.819) 16.300 4.579 ( 0.828 -12.225 -0.639) 12.270 4.621 ( 12.804 0.019 3.850) 13.370 4.671 ( 2.594 -8.457 4.757) 10.044 5.008 ( -5.035 4.246 -0.554) 6.609 5.230 ( -1.109 -7.365 -4.531) 8.719 5.494 ( -7.630 6.175 -8.529) 13.004 5.864 ( 4.602 0.786 12.366) 13.218 5.909 ( -2.553 26.043 16.040) 30.693 6.487 ( -7.896 -0.990 1.862) 8.173 6.574 ( -11.733 1.801 -5.049) 12.899 6.902 ( -0.342 -14.680 3.402) 15.073 7.339 ( 3.706 8.776 2.459) 9.838 7.517 ( 7.258 -4.046 -5.110) 9.756 7.677 ( -3.122 0.589 10.639) 11.103 7.915 ( 4.443 -3.788 -4.793) 7.554 8.235 ( 8.539 1.715 -6.098) 10.632 8.415 ( -0.141 -0.770 -9.851) 9.882 8.521 ( -1.270 2.446 -8.575) 9.007 8.648 ( 3.223 -3.124 5.708) 7.261 8.878 ( 0.218 -6.860 3.179) 7.564 9.496 ( 2.983 4.721 6.347) 8.454 9.629 ( 12.729 1.250 13.871) 18.868 9.824 ( 1.864 -7.375 -1.164) 7.696 10.198 ( -0.406 3.156 -2.274) 3.911 10.299 ( -14.205 0.732 4.033) 14.784 10.606 ( -1.470 2.751 -7.738) 8.343 10.669 ( -6.988 -2.828 0.162) 7.540 10.833 ( 4.900 2.490 -0.761) 5.549 10.962 ( 8.561 -3.974 -1.250) 9.521 11.174 ( 0.708 2.551 -6.166) 6.710 11.408 ( 12.511 2.049 9.292) 15.718 11.827 ( -8.374 1.605 13.136) 15.661 12.001 ( -9.227 -0.438 -2.133) 9.480 12.297 ( 0.974 2.604 7.492) 7.991 12.438 ( -2.316 -5.521 1.199) 6.106 13.072 ( -0.959 -2.150 -0.374) 2.384 13.133 ( 2.569 -5.732 -1.780) 6.528 13.317 ( 5.259 0.912 -8.799) 10.291 14.318 ( 1.877 0.008 12.934) 13.069 14.841 ( -1.775 0.815 -1.792) 2.651 15.239 ( -1.157 -1.352 -0.552) 1.863 15.286 ( -3.401 -0.503 0.045) 3.438 15.775 ( -0.589 1.385 -15.580) 15.653 15.907 ( -5.444 0.249 -15.227) 16.173 17.570 ( -3.133 -3.996 15.718) 16.518 18.383 ( -0.922 -3.493 -9.841) 10.483 18.670 ( -2.188 1.058 18.654) 18.811 19.244 ( 0.737 -1.482 17.989) 18.065 20.436 ( 1.728 3.671 -33.871) 34.113 20.505 ( 1.226 2.760 10.322) 10.755 20.715 ( 2.518 -0.936 -22.206) 22.368 21.229 ( -1.415 2.548 -10.477) 10.875 22.925 ( 0.693 0.060 16.571) 16.586 23.324 ( -0.194 -0.775 0.301) 0.854 ======================= Grid point 169 (62/84) ======================= q-point: (-0.38 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 0.000 -1.821 3.680) 4.106 1.867 ( -0.000 4.630 -1.424) 4.844 2.489 ( 0.000 -9.904 15.077) 18.039 2.854 ( -0.000 24.119 5.270) 24.688 3.305 ( -0.000 8.600 -3.007) 9.110 3.343 ( -0.000 11.229 7.101) 13.286 3.635 ( -0.000 1.858 -12.721) 12.856 3.749 ( 0.000 -4.947 4.519) 6.700 3.903 ( -0.000 3.531 -5.086) 6.192 4.253 ( 0.000 -0.167 8.682) 8.683 4.425 ( 0.000 -15.475 -2.590) 15.690 4.548 ( 0.000 -13.746 12.803) 18.785 4.701 ( 0.000 -2.240 4.554) 5.075 4.748 ( 0.000 -9.812 -4.129) 10.645 4.861 ( 0.000 -16.518 3.079) 16.802 4.905 ( -0.000 6.268 2.321) 6.684 5.245 ( -0.000 2.344 1.017) 2.555 5.374 ( -0.000 4.824 -6.925) 8.439 5.484 ( -0.000 24.313 15.357) 28.757 6.052 ( 0.000 -7.080 5.026) 8.683 6.296 ( -0.000 11.943 0.748) 11.967 6.437 ( -0.000 2.594 -4.155) 4.898 7.090 ( 0.000 -12.591 1.122) 12.641 7.248 ( -0.000 7.951 6.586) 10.325 7.588 ( -0.000 2.230 -8.261) 8.557 7.639 ( -0.000 1.094 12.106) 12.155 8.037 ( 0.000 -7.335 -6.053) 9.510 8.300 ( -0.000 1.109 -6.952) 7.040 8.406 ( -0.000 0.314 -11.433) 11.437 8.430 ( -0.000 8.159 -8.282) 11.626 8.742 ( 0.000 -6.361 7.943) 10.176 9.000 ( 0.000 -11.727 2.952) 12.093 9.474 ( -0.000 2.622 10.275) 10.605 9.763 ( -0.000 0.091 14.100) 14.100 9.971 ( 0.000 -8.725 0.906) 8.772 10.106 ( -0.000 1.622 1.555) 2.247 10.143 ( -0.000 3.948 1.160) 4.115 10.570 ( -0.000 3.950 -13.163) 13.743 10.650 ( 0.000 -6.800 2.774) 7.343 10.849 ( -0.000 3.109 -2.048) 3.723 11.065 ( -0.000 2.646 -3.779) 4.613 11.124 ( -0.000 3.315 -9.586) 10.143 11.546 ( -0.000 1.461 8.974) 9.092 11.654 ( -0.000 3.209 13.886) 14.252 11.934 ( 0.000 -1.108 -2.502) 2.736 12.287 ( -0.000 2.292 19.603) 19.737 12.512 ( 0.000 -9.436 -7.009) 11.754 13.118 ( 0.000 -7.194 0.905) 7.251 13.257 ( 0.000 -10.102 -2.477) 10.401 13.340 ( -0.000 2.280 -9.804) 10.065 14.332 ( -0.000 0.599 14.810) 14.822 14.798 ( -0.000 2.463 2.301) 3.371 15.216 ( 0.000 -0.311 5.732) 5.740 15.332 ( 0.000 -5.696 -10.665) 12.091 15.760 ( -0.000 2.712 -11.763) 12.071 15.805 ( -0.000 4.418 -18.338) 18.863 17.620 ( 0.000 -8.785 15.399) 17.728 18.446 ( 0.000 -7.967 -10.815) 13.432 18.626 ( -0.000 2.440 19.848) 19.997 19.276 ( 0.000 -2.655 17.581) 17.781 20.405 ( -0.000 4.922 -34.391) 34.741 20.460 ( -0.000 6.095 11.004) 12.579 20.759 ( 0.000 -1.968 -23.846) 23.927 21.151 ( -0.000 7.232 -9.673) 12.078 22.932 ( 0.000 -0.204 16.674) 16.676 23.337 ( 0.000 -1.594 0.134) 1.600 ======================= Grid point 177 (63/84) ======================= q-point: (-0.50 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 0.000 -0.000 4.053) 4.053 1.962 ( -0.000 0.000 -9.020) 9.020 2.269 ( 0.000 -0.000 24.591) 24.591 3.242 ( -0.000 0.000 15.759) 15.759 3.431 ( 0.000 -0.000 -4.143) 4.143 3.548 ( 0.000 -0.000 3.618) 3.618 3.672 ( 0.000 -0.000 -11.611) 11.611 3.759 ( -0.000 0.000 -3.523) 3.523 3.982 ( 0.000 -0.000 -2.276) 2.276 4.048 ( 0.000 -0.000 -6.711) 6.711 4.272 ( -0.000 0.000 11.479) 11.479 4.337 ( 0.000 -0.000 16.880) 16.880 4.447 ( 0.000 -0.000 -0.337) 0.337 4.693 ( 0.000 -0.000 -1.271) 1.271 4.767 ( 0.000 -0.000 -0.610) 0.610 4.938 ( 0.000 -0.000 -0.670) 0.670 5.218 ( 0.000 -0.000 -5.840) 5.840 5.449 ( -0.000 0.000 -15.153) 15.153 5.947 ( 0.000 -0.000 13.023) 13.023 6.123 ( -0.000 0.000 18.166) 18.166 6.354 ( 0.000 -0.000 6.371) 6.371 6.460 ( 0.000 -0.000 -4.077) 4.077 6.788 ( 0.000 -0.000 5.080) 5.080 7.418 ( 0.000 -0.000 -9.951) 9.951 7.573 ( -0.000 0.000 8.396) 8.396 7.652 ( 0.000 -0.000 11.629) 11.629 7.922 ( 0.000 -0.000 -5.743) 5.743 8.325 ( 0.000 -0.000 -6.035) 6.035 8.409 ( 0.000 -0.000 -10.974) 10.974 8.532 ( 0.000 -0.000 -7.503) 7.503 8.658 ( 0.000 -0.000 4.773) 4.773 8.832 ( 0.000 -0.000 3.159) 3.159 9.574 ( 0.000 -0.000 6.681) 6.681 9.770 ( 0.000 -0.000 0.348) 0.348 9.809 ( 0.000 -0.000 16.162) 16.162 10.123 ( 0.000 -0.000 2.220) 2.220 10.217 ( 0.000 -0.000 -1.033) 1.033 10.548 ( 0.000 -0.000 5.026) 5.026 10.623 ( 0.000 -0.000 -12.338) 12.338 10.881 ( 0.000 -0.000 0.012) 0.012 11.075 ( 0.000 -0.000 -2.654) 2.654 11.165 ( 0.000 -0.000 -11.231) 11.231 11.569 ( 0.000 -0.000 9.268) 9.268 11.732 ( 0.000 -0.000 11.959) 11.959 11.912 ( 0.000 -0.000 -0.933) 0.933 12.312 ( 0.000 -0.000 -3.545) 3.545 12.390 ( 0.000 -0.000 15.631) 15.631 13.049 ( 0.000 -0.000 -0.757) 0.757 13.115 ( 0.000 -0.000 -2.013) 2.013 13.369 ( 0.000 -0.000 -9.357) 9.357 14.339 ( 0.000 -0.000 14.105) 14.105 14.835 ( 0.000 -0.000 -2.729) 2.729 15.207 ( 0.000 -0.000 5.908) 5.908 15.250 ( 0.000 -0.000 -6.306) 6.306 15.789 ( 0.000 -0.000 -13.041) 13.041 15.862 ( 0.000 -0.000 -19.125) 19.125 17.518 ( 0.000 -0.000 16.309) 16.309 18.352 ( 0.000 -0.000 -10.501) 10.501 18.662 ( 0.000 -0.000 19.129) 19.129 19.240 ( 0.000 -0.000 17.786) 17.786 20.466 ( 0.000 -0.000 -34.926) 34.926 20.533 ( 0.000 -0.000 11.165) 11.165 20.730 ( 0.000 -0.000 -23.212) 23.212 21.238 ( 0.000 -0.000 -9.871) 9.871 22.932 ( 0.000 -0.000 16.402) 16.402 23.317 ( 0.000 -0.000 0.567) 0.567 ======================= Grid point 207 (64/84) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 0.000 0.000 4.973) 4.973 1.696 ( 0.000 0.000 0.112) 0.112 2.193 ( 0.000 0.000 37.190) 37.190 2.376 ( 0.000 0.000 27.916) 27.916 2.884 ( 0.000 0.000 -33.832) 33.832 2.906 ( 0.000 0.000 -25.825) 25.825 3.615 ( 0.000 0.000 6.196) 6.196 3.719 ( 0.000 0.000 -3.573) 3.573 3.963 ( 0.000 0.000 57.105) 57.105 4.332 ( 0.000 0.000 9.304) 9.304 4.436 ( 0.000 0.000 -2.523) 2.523 4.720 ( 0.000 0.000 7.517) 7.517 4.842 ( 0.000 0.000 -3.219) 3.219 4.991 ( 0.000 0.000 -48.294) 48.294 5.266 ( 0.000 0.000 6.618) 6.618 5.355 ( 0.000 0.000 26.613) 26.613 5.454 ( 0.000 0.000 -12.955) 12.955 5.831 ( 0.000 0.000 -20.978) 20.978 5.974 ( 0.000 0.000 19.393) 19.393 5.995 ( 0.000 0.000 5.861) 5.861 6.125 ( 0.000 0.000 -7.864) 7.864 6.269 ( 0.000 0.000 -12.464) 12.464 6.408 ( 0.000 0.000 17.384) 17.384 6.806 ( 0.000 0.000 -23.590) 23.590 7.248 ( 0.000 0.000 13.129) 13.129 7.507 ( 0.000 0.000 -13.176) 13.176 7.742 ( 0.000 0.000 14.976) 14.976 7.915 ( 0.000 0.000 20.274) 20.274 8.041 ( 0.000 0.000 -15.652) 15.652 8.327 ( 0.000 0.000 -21.956) 21.956 9.518 ( 0.000 0.000 6.288) 6.288 9.610 ( 0.000 0.000 -1.592) 1.592 9.856 ( 0.000 0.000 2.942) 2.942 9.884 ( 0.000 0.000 -1.010) 1.010 10.031 ( 0.000 0.000 5.255) 5.255 10.123 ( 0.000 0.000 -4.230) 4.230 10.131 ( 0.000 0.000 9.431) 9.431 10.283 ( 0.000 0.000 -5.465) 5.465 10.589 ( 0.000 0.000 5.623) 5.623 10.726 ( 0.000 0.000 -8.864) 8.864 10.880 ( 0.000 0.000 3.959) 3.959 10.970 ( 0.000 0.000 -5.111) 5.111 11.651 ( 0.000 0.000 6.803) 6.803 11.768 ( 0.000 0.000 -5.254) 5.254 11.840 ( 0.000 0.000 26.052) 26.052 12.358 ( 0.000 0.000 -26.819) 26.819 13.034 ( 0.000 0.000 2.765) 2.765 13.107 ( 0.000 0.000 -4.653) 4.653 13.992 ( 0.000 0.000 0.759) 0.759 14.008 ( 0.000 0.000 -1.000) 1.000 14.668 ( 0.000 0.000 18.475) 18.475 14.984 ( 0.000 0.000 -13.164) 13.164 15.053 ( 0.000 0.000 9.196) 9.196 15.142 ( 0.000 0.000 4.328) 4.328 15.235 ( 0.000 0.000 -9.557) 9.557 15.258 ( 0.000 0.000 -8.435) 8.435 18.969 ( 0.000 0.000 13.885) 13.885 19.174 ( 0.000 0.000 0.581) 0.581 19.188 ( 0.000 0.000 -0.838) 0.838 19.213 ( 0.000 0.000 -11.053) 11.053 19.850 ( 0.000 0.000 24.105) 24.105 19.962 ( 0.000 0.000 0.930) 0.930 20.002 ( 0.000 0.000 -3.293) 3.293 20.337 ( 0.000 0.000 -26.153) 26.153 23.312 ( 0.000 0.000 6.564) 6.564 23.408 ( 0.000 0.000 -3.557) 3.557 ======================= Grid point 208 (65/84) ======================= q-point: ( 0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( 12.294 -1.779 3.814) 12.994 1.816 ( 12.505 -0.998 0.063) 12.545 2.265 ( 6.087 -3.221 32.675) 33.393 2.446 ( 5.385 -4.104 24.440) 25.360 2.904 ( 3.355 1.503 -29.169) 29.400 2.961 ( 4.154 -3.019 -24.579) 25.110 3.524 ( -14.408 -6.624 6.069) 16.979 3.631 ( -15.121 -6.756 -5.157) 17.346 4.125 ( 9.238 -7.412 47.431) 48.887 4.287 ( -1.427 5.618 5.596) 8.057 4.379 ( 1.821 6.892 5.117) 8.775 4.656 ( 0.733 6.466 10.001) 11.932 4.818 ( -4.926 -3.655 -4.296) 7.489 5.113 ( 10.775 -3.347 -42.343) 43.821 5.187 ( -5.674 6.685 12.164) 14.995 5.433 ( 4.276 2.885 16.608) 17.390 5.441 ( -0.949 3.447 -13.772) 14.229 5.670 ( -11.566 5.769 -3.977) 13.522 5.866 ( -5.351 -6.812 5.599) 10.315 6.006 ( 6.838 2.717 -7.995) 10.866 6.190 ( 3.819 1.285 6.035) 7.257 6.336 ( 9.101 8.624 -3.007) 12.894 6.528 ( 5.964 -8.447 7.109) 12.548 6.813 ( -0.556 -4.581 -20.735) 21.242 7.307 ( -2.108 -8.849 9.480) 13.138 7.505 ( -2.278 -3.009 -9.775) 10.478 7.800 ( 4.694 -0.942 13.128) 13.974 7.937 ( 0.626 -3.757 15.758) 16.212 8.081 ( 3.676 -1.019 -14.509) 15.002 8.305 ( -1.473 1.698 -20.094) 20.219 9.462 ( -0.918 7.848 7.824) 11.120 9.573 ( -2.947 6.403 -2.563) 7.500 9.743 ( -10.047 -4.402 5.762) 12.390 9.819 ( -8.383 -7.125 -3.241) 11.469 10.064 ( -6.908 -0.203 8.019) 10.586 10.137 ( 3.352 0.521 1.340) 3.647 10.206 ( 4.952 1.860 1.780) 5.582 10.270 ( 3.480 -1.020 -3.487) 5.031 10.443 ( -11.215 1.646 2.920) 11.705 10.547 ( -14.941 0.232 -7.611) 16.769 10.956 ( 4.530 0.134 0.778) 4.598 10.995 ( 2.078 0.509 -2.797) 3.521 11.639 ( 1.440 -0.107 12.194) 12.279 11.810 ( 4.655 -0.631 -6.327) 7.880 11.912 ( 3.314 -3.367 21.732) 22.240 12.384 ( 1.494 -1.523 -25.125) 25.216 12.992 ( -0.505 5.765 3.871) 6.962 13.090 ( -1.489 2.279 -5.902) 6.500 13.830 ( -12.106 6.960 1.082) 14.006 13.840 ( -12.257 6.088 0.001) 13.685 14.578 ( -8.060 -2.067 15.278) 17.397 14.830 ( -11.767 -3.169 -9.872) 15.684 15.150 ( 6.663 -0.185 7.598) 10.107 15.210 ( 9.622 5.171 5.564) 12.259 15.380 ( 10.074 -6.032 -6.614) 13.476 15.492 ( 17.673 -2.452 -13.279) 22.241 18.719 ( -13.811 7.390 11.381) 19.362 18.887 ( -13.361 6.659 -4.561) 15.610 19.326 ( 9.874 3.784 1.453) 10.674 19.366 ( 7.714 4.096 -1.831) 8.924 19.763 ( -6.193 0.257 14.380) 15.659 20.010 ( -2.525 -10.436 -6.707) 12.660 20.178 ( 9.310 -6.682 4.361) 12.261 20.466 ( 11.934 -3.231 -21.038) 24.402 23.278 ( -2.357 1.611 7.954) 8.451 23.390 ( -1.328 0.852 -4.013) 4.312 ======================= Grid point 209 (66/84) ======================= q-point: ( 0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( 12.185 -0.600 3.604) 12.721 2.077 ( 14.354 -1.086 -1.513) 14.475 2.487 ( 12.971 -7.575 21.974) 26.618 2.638 ( 7.197 -8.780 16.574) 20.090 2.964 ( 3.994 0.560 -16.517) 17.002 3.078 ( 2.293 -4.539 -18.408) 19.098 3.337 ( -17.851 -11.323 4.069) 21.527 3.423 ( -18.780 -11.454 -6.003) 22.802 4.118 ( -5.260 6.380 5.759) 10.077 4.156 ( -3.367 8.304 1.635) 9.109 4.538 ( 6.041 0.628 21.093) 21.950 4.645 ( -0.943 -3.941 9.583) 10.404 4.816 ( -0.667 -3.877 8.342) 9.223 4.970 ( 1.450 9.583 18.464) 20.853 5.198 ( -8.223 12.529 -1.386) 15.051 5.332 ( 4.144 4.483 -9.432) 11.235 5.426 ( 4.101 5.468 -14.127) 15.694 5.531 ( 7.237 0.267 -20.607) 21.842 6.018 ( 8.213 2.468 8.766) 12.263 6.111 ( 11.805 4.649 1.529) 12.779 6.227 ( 3.860 -1.379 9.430) 10.282 6.440 ( 9.814 -2.850 -8.294) 13.161 6.709 ( 0.479 -10.286 2.580) 10.615 6.887 ( -2.713 -9.588 -16.998) 19.704 7.305 ( -9.045 -5.821 8.451) 13.679 7.483 ( -6.963 -4.142 -9.056) 12.151 7.872 ( 2.718 -0.507 12.562) 12.863 8.045 ( 3.695 -6.306 3.554) 8.127 8.170 ( 4.853 -0.376 -12.959) 13.843 8.243 ( -1.089 3.390 -11.752) 12.280 9.304 ( -5.982 7.768 6.314) 11.661 9.363 ( -8.894 6.809 0.295) 11.205 9.661 ( -5.914 -2.307 10.868) 12.586 9.837 ( -1.721 -7.284 -8.091) 11.023 9.898 ( -9.811 1.249 5.374) 11.256 9.950 ( -10.450 8.718 1.264) 13.668 10.182 ( -10.700 -1.835 3.731) 11.480 10.297 ( -13.329 -3.516 -4.888) 14.626 10.433 ( 12.080 -3.021 -0.777) 12.476 10.484 ( 9.823 -4.000 -3.837) 11.279 10.999 ( 0.300 -0.466 0.369) 0.666 11.012 ( -0.052 -0.553 -0.424) 0.699 11.723 ( 8.615 1.572 14.237) 16.714 11.929 ( 8.321 0.114 -6.636) 10.644 11.992 ( -0.362 -5.692 20.209) 20.998 12.428 ( 1.092 -1.912 -22.358) 22.466 12.881 ( -1.764 9.481 4.013) 10.445 12.991 ( -4.363 4.820 -6.456) 9.162 13.511 ( -15.508 7.613 0.962) 17.302 13.514 ( -13.583 7.667 0.533) 15.607 14.505 ( -4.604 -3.867 12.684) 14.037 14.735 ( -5.783 -5.654 -10.566) 13.306 15.238 ( 7.020 4.760 6.611) 10.754 15.305 ( 6.995 2.963 2.680) 8.056 15.645 ( 11.153 -5.381 -2.018) 12.546 15.779 ( 11.960 -2.160 -13.335) 18.042 18.435 ( -9.571 6.018 12.437) 16.807 18.622 ( -8.755 5.524 -5.564) 11.752 19.385 ( 1.894 2.369 -0.017) 3.033 19.401 ( 7.036 9.159 0.499) 11.561 19.670 ( -5.338 -1.313 16.366) 17.265 20.063 ( -2.706 -6.156 -20.647) 21.714 20.421 ( 9.047 -6.023 12.128) 16.286 20.730 ( 10.601 -5.629 -18.584) 22.123 23.215 ( -2.363 1.486 9.900) 10.286 23.351 ( -1.619 1.071 -4.679) 5.066 ======================= Grid point 210 (67/84) ======================= q-point: ( 0.38 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( 4.382 1.683 5.440) 7.186 2.264 ( 6.284 0.403 -4.724) 7.872 2.834 ( -2.902 -9.783 12.467) 16.111 2.858 ( 16.265 -9.436 11.249) 21.911 2.973 ( 0.742 -4.245 2.163) 4.822 3.083 ( -6.680 -5.617 -11.039) 14.073 3.289 ( -3.731 -6.735 -1.086) 7.776 3.388 ( -0.127 -8.778 -11.450) 14.428 3.933 ( -7.091 6.415 3.809) 10.293 3.986 ( -5.413 6.620 0.324) 8.557 4.483 ( -5.058 2.550 7.796) 9.636 4.589 ( -5.237 2.468 3.522) 6.776 4.635 ( -4.700 7.423 8.180) 12.004 4.918 ( -5.265 9.178 -7.933) 13.225 5.298 ( 4.774 -2.948 12.409) 13.618 5.317 ( 12.270 0.262 17.594) 21.451 5.465 ( 11.593 1.274 -8.095) 14.197 5.793 ( 11.314 -2.098 -21.492) 24.378 6.027 ( 5.925 10.533 10.010) 15.693 6.165 ( 12.077 9.512 -3.653) 15.801 6.470 ( 3.918 -11.669 13.275) 18.104 6.656 ( 6.187 -3.277 3.435) 7.799 6.773 ( -2.197 -8.100 -4.654) 9.597 6.909 ( -6.361 -7.251 -17.952) 20.379 7.177 ( -9.653 -1.833 5.026) 11.036 7.346 ( -11.500 -0.712 -10.608) 15.662 7.918 ( 1.672 -0.778 9.096) 9.281 8.086 ( -2.841 0.821 -4.728) 5.577 8.238 ( 4.625 -1.163 -3.386) 5.848 8.277 ( 3.867 -0.332 -9.668) 10.418 9.140 ( -4.674 2.092 3.925) 6.452 9.175 ( -5.487 3.265 0.432) 6.400 9.562 ( -5.700 1.150 14.233) 15.375 9.673 ( -7.262 8.709 3.817) 11.964 9.776 ( -4.508 -1.203 2.102) 5.117 9.889 ( -0.728 -2.293 -10.455) 10.728 10.060 ( -5.163 -0.332 1.742) 5.459 10.152 ( -8.276 -4.764 -6.940) 11.805 10.698 ( 12.144 -3.672 1.051) 12.730 10.711 ( 9.001 -5.112 -0.091) 10.351 10.982 ( -3.301 -1.094 1.055) 3.634 11.006 ( -1.886 -1.002 -0.669) 2.238 11.863 ( 10.156 2.631 13.902) 17.417 12.036 ( -3.423 -6.738 18.795) 20.258 12.061 ( 7.291 1.159 -3.653) 8.237 12.467 ( 0.911 -1.638 -20.407) 20.493 12.729 ( -1.214 9.872 4.017) 10.727 12.862 ( -3.526 4.395 -9.148) 10.744 13.182 ( -12.799 4.838 2.944) 13.996 13.220 ( -11.015 4.821 -1.191) 12.083 14.502 ( -1.222 -2.861 11.840) 12.242 14.741 ( -1.653 -4.378 -12.580) 13.422 15.281 ( 4.330 3.870 7.879) 9.788 15.368 ( 3.751 1.875 0.653) 4.244 15.853 ( 6.975 -3.061 -2.641) 8.061 15.939 ( 4.731 -1.123 -10.167) 11.270 18.260 ( -4.577 3.180 13.195) 14.324 18.464 ( -4.116 2.789 -6.429) 8.127 19.368 ( -1.672 -0.331 -0.919) 1.936 19.395 ( 5.076 8.457 -1.487) 9.975 19.615 ( -3.121 -1.484 20.973) 21.256 20.078 ( -1.193 -2.294 -24.997) 25.130 20.598 ( 4.802 -3.435 14.336) 15.504 20.920 ( 5.253 -3.299 -18.266) 19.290 23.171 ( -1.189 0.667 10.668) 10.755 23.318 ( -0.976 0.651 -4.925) 5.063 ======================= Grid point 211 (68/84) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( 0.000 -0.000 6.139) 6.139 2.301 ( 0.000 -0.000 -5.543) 5.543 2.818 ( 0.000 -0.000 11.483) 11.483 3.040 ( -0.000 -0.000 -11.267) 11.267 3.063 ( 0.000 0.000 9.060) 9.060 3.192 ( -0.000 0.000 -3.884) 3.884 3.232 ( 0.000 -0.000 10.086) 10.086 3.471 ( 0.000 -0.000 -13.465) 13.465 3.803 ( 0.000 -0.000 5.494) 5.494 3.873 ( 0.000 -0.000 -0.412) 0.412 4.411 ( -0.000 -0.000 7.268) 7.268 4.494 ( 0.000 0.000 14.918) 14.918 4.575 ( 0.000 -0.000 -7.034) 7.034 4.808 ( 0.000 -0.000 -11.372) 11.372 5.340 ( 0.000 -0.000 10.485) 10.485 5.388 ( 0.000 0.000 5.270) 5.270 5.703 ( -0.000 0.000 4.564) 4.564 5.821 ( 0.000 -0.000 -7.055) 7.055 6.064 ( -0.000 -0.000 7.981) 7.981 6.272 ( 0.000 -0.000 -11.025) 11.025 6.506 ( 0.000 -0.000 14.750) 14.750 6.653 ( -0.000 -0.000 13.546) 13.546 6.899 ( 0.000 -0.000 -19.015) 19.015 6.920 ( -0.000 -0.000 -8.980) 8.980 7.068 ( 0.000 -0.000 2.181) 2.181 7.214 ( 0.000 -0.000 -11.345) 11.345 7.938 ( 0.000 0.000 7.368) 7.368 8.048 ( 0.000 -0.000 -1.448) 1.448 8.291 ( 0.000 -0.000 -5.312) 5.312 8.314 ( 0.000 -0.000 -10.181) 10.181 9.094 ( 0.000 -0.000 2.602) 2.602 9.112 ( 0.000 0.000 0.884) 0.884 9.502 ( 0.000 0.000 12.540) 12.540 9.544 ( 0.000 -0.000 6.599) 6.599 9.746 ( 0.000 -0.000 2.139) 2.139 9.891 ( 0.000 -0.000 -11.917) 11.917 10.011 ( 0.000 -0.000 2.832) 2.832 10.123 ( 0.000 0.000 -7.929) 7.929 10.830 ( 0.000 -0.000 4.237) 4.237 10.888 ( 0.000 -0.000 -1.610) 1.610 10.912 ( -0.000 -0.000 3.504) 3.504 10.986 ( 0.000 -0.000 -2.720) 2.720 11.960 ( -0.000 -0.000 10.586) 10.586 12.034 ( 0.000 -0.000 20.478) 20.478 12.121 ( 0.000 0.000 -0.743) 0.743 12.488 ( 0.000 -0.000 -20.147) 20.147 12.651 ( -0.000 -0.000 3.756) 3.756 12.797 ( -0.000 -0.000 -11.493) 11.493 13.031 ( 0.000 -0.000 4.050) 4.050 13.085 ( 0.000 -0.000 -1.568) 1.568 14.511 ( 0.000 0.000 11.652) 11.652 14.757 ( 0.000 -0.000 -13.474) 13.474 15.294 ( 0.000 0.000 8.540) 8.540 15.388 ( 0.000 -0.000 0.099) 0.099 15.938 ( 0.000 -0.000 -4.435) 4.435 15.978 ( 0.000 -0.000 -7.637) 7.637 18.202 ( 0.000 -0.000 13.478) 13.478 18.413 ( 0.000 0.000 -6.786) 6.786 19.353 ( 0.000 0.000 -1.199) 1.199 19.386 ( -0.000 -0.000 -2.436) 2.436 19.598 ( -0.000 -0.000 22.767) 22.767 20.081 ( 0.000 -0.000 -26.046) 26.046 20.660 ( 0.000 -0.000 14.774) 14.774 20.984 ( 0.000 -0.000 -18.155) 18.155 23.158 ( 0.000 -0.000 10.774) 10.774 23.306 ( 0.000 -0.000 -4.934) 4.934 ======================= Grid point 217 (69/84) ======================= q-point: ( 0.12 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( 13.982 0.000 4.350) 14.644 2.057 ( 14.986 0.000 -1.322) 15.044 2.396 ( 11.381 0.000 27.471) 29.735 2.528 ( 6.664 0.000 16.475) 17.772 2.999 ( 3.112 0.000 -19.496) 19.742 3.000 ( 1.439 0.000 -18.975) 19.030 3.177 ( -17.449 -0.000 4.009) 17.903 3.261 ( -18.608 -0.000 -7.507) 20.065 4.182 ( -1.957 -0.000 17.566) 17.675 4.280 ( -3.159 -0.000 3.064) 4.401 4.557 ( 8.395 0.000 24.094) 25.514 4.638 ( -6.856 -0.000 1.012) 6.930 4.674 ( 2.550 0.000 10.851) 11.147 5.187 ( -3.028 -0.000 9.855) 10.310 5.371 ( 15.065 0.000 -33.875) 37.074 5.439 ( -5.388 -0.000 -2.640) 6.000 5.484 ( -5.674 -0.000 2.024) 6.024 5.578 ( 5.736 0.000 -8.395) 10.168 5.804 ( 10.053 0.000 14.883) 17.960 6.191 ( 13.003 0.000 -20.024) 23.876 6.268 ( 3.860 0.000 18.389) 18.789 6.518 ( 3.431 0.000 -5.081) 6.131 6.525 ( 1.335 0.000 4.155) 4.364 6.772 ( -0.911 -0.000 -22.940) 22.958 7.183 ( -7.077 -0.000 13.733) 15.449 7.425 ( -5.264 -0.000 -10.374) 11.633 7.890 ( 4.809 0.000 8.368) 9.652 7.934 ( 2.501 0.000 12.239) 12.492 8.164 ( 6.357 0.000 -11.761) 13.369 8.291 ( -1.161 -0.000 -16.996) 17.036 9.457 ( -16.238 -0.000 4.027) 16.730 9.471 ( -14.589 -0.000 2.152) 14.746 9.574 ( 3.255 0.000 5.317) 6.234 9.685 ( -0.498 -0.000 -5.494) 5.517 9.908 ( -8.933 -0.000 15.021) 17.477 10.119 ( -4.151 -0.000 -5.307) 6.738 10.133 ( -11.470 -0.000 5.433) 12.692 10.253 ( -17.597 -0.000 -5.593) 18.464 10.392 ( 11.544 0.000 -0.123) 11.545 10.443 ( 7.239 0.000 -2.976) 7.827 10.998 ( 0.322 0.000 -0.085) 0.333 11.008 ( -0.049 -0.000 -0.523) 0.526 11.741 ( 9.194 0.000 12.925) 15.862 11.917 ( -0.217 -0.000 22.392) 22.393 11.929 ( 9.068 0.000 -6.722) 11.288 12.395 ( 0.962 0.000 -25.499) 25.517 13.009 ( -1.633 -0.000 1.579) 2.272 13.063 ( -3.861 -0.000 -3.346) 5.109 13.612 ( -17.525 -0.000 1.214) 17.567 13.616 ( -16.438 -0.000 0.899) 16.463 14.440 ( -5.061 -0.000 12.341) 13.339 14.658 ( -5.702 -0.000 -9.793) 11.333 15.279 ( 7.213 0.000 8.675) 11.282 15.448 ( 7.177 0.000 -9.197) 11.665 15.492 ( 12.216 0.000 10.127) 15.868 15.748 ( 12.847 0.000 -16.276) 20.736 18.502 ( -14.216 -0.000 10.169) 17.479 18.681 ( -13.234 -0.000 -8.263) 15.602 19.451 ( -2.502 -0.000 17.095) 17.277 19.477 ( 6.032 0.000 15.607) 16.733 19.809 ( 5.608 0.000 -10.786) 12.157 19.871 ( -2.525 -0.000 -19.286) 19.450 20.336 ( 11.628 0.000 12.291) 16.920 20.652 ( 11.895 0.000 -19.430) 22.782 23.237 ( -3.149 -0.000 9.312) 9.830 23.366 ( -1.994 -0.000 -4.482) 4.906 ======================= Grid point 218 (70/84) ======================= q-point: ( 0.25 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( 7.894 0.985 2.899) 8.467 2.263 ( 7.495 -0.236 -3.014) 8.082 2.611 ( -2.915 -5.047 8.948) 10.679 2.627 ( 7.011 -7.688 13.327) 16.908 2.866 ( -6.350 -2.901 3.922) 8.007 2.920 ( -2.848 -6.175 0.967) 6.869 3.166 ( 6.283 -2.495 -6.564) 9.423 3.265 ( 9.971 -1.774 -18.122) 20.760 4.079 ( -5.904 4.361 7.239) 10.309 4.165 ( -5.680 6.614 -0.312) 8.723 4.468 ( -9.417 -2.601 4.564) 10.783 4.524 ( -6.675 -3.443 -0.619) 7.536 4.890 ( 1.798 7.481 21.140) 22.497 5.088 ( -3.759 1.773 7.257) 8.363 5.282 ( 1.742 5.506 12.064) 13.375 5.399 ( 6.178 2.600 9.291) 11.456 5.565 ( -0.998 3.945 -16.398) 16.895 5.767 ( 18.248 -0.497 -25.859) 31.653 6.127 ( 13.555 -6.201 14.626) 20.883 6.306 ( 6.268 4.218 15.916) 17.618 6.393 ( 8.652 7.073 -10.157) 15.101 6.528 ( 4.862 -5.463 -3.755) 8.221 6.595 ( -0.813 -6.831 -2.175) 7.215 6.774 ( -0.322 -1.678 -22.393) 22.458 7.058 ( -10.888 -5.948 13.098) 18.041 7.310 ( -9.758 -1.360 -10.894) 14.689 7.922 ( 1.953 1.556 7.309) 7.724 8.029 ( 2.699 -4.408 -0.175) 5.172 8.258 ( 2.588 2.002 -7.456) 8.143 8.282 ( 3.091 0.126 -8.559) 9.101 9.154 ( -15.050 0.529 5.918) 16.181 9.214 ( -13.906 -0.312 -0.314) 13.913 9.586 ( -5.576 1.020 11.239) 12.588 9.696 ( 2.281 -3.773 1.437) 4.637 9.830 ( -5.619 1.832 1.183) 6.027 9.920 ( -5.628 6.219 -3.355) 9.033 10.050 ( -3.949 -2.281 -0.507) 4.589 10.090 ( -0.336 -0.963 -4.991) 5.094 10.594 ( 8.137 -2.994 1.287) 8.765 10.612 ( 12.161 -2.499 -0.731) 12.436 10.974 ( -2.676 0.253 1.039) 2.882 11.005 ( -0.158 0.317 -1.336) 1.382 11.839 ( -2.053 -2.359 15.897) 16.202 11.973 ( 8.715 0.256 21.093) 22.824 12.074 ( 6.581 -0.176 -7.790) 10.199 12.430 ( 2.962 -1.004 -23.846) 24.050 12.938 ( -2.869 5.894 0.652) 6.588 12.973 ( -3.407 2.944 -2.497) 5.149 13.284 ( -17.789 2.933 2.641) 18.221 13.314 ( -16.530 2.353 -0.620) 16.709 14.416 ( -0.499 -2.917 11.294) 11.676 14.634 ( -0.050 -3.116 -10.778) 11.219 15.362 ( 3.407 1.782 7.792) 8.689 15.483 ( 4.575 7.153 -2.271) 8.790 15.717 ( 6.162 -7.301 2.720) 9.933 15.906 ( 4.949 -1.121 -14.352) 15.222 18.288 ( -10.321 0.197 11.362) 15.351 18.488 ( -9.312 -0.418 -9.094) 13.022 19.362 ( -4.324 2.086 18.773) 19.377 19.561 ( 1.885 -1.614 21.691) 21.833 19.734 ( 2.923 12.621 -19.172) 23.139 19.985 ( 2.358 -5.972 -22.381) 23.284 20.526 ( 8.463 -1.983 13.953) 16.439 20.842 ( 8.050 -2.380 -18.066) 19.921 23.187 ( -2.014 0.474 10.447) 10.650 23.331 ( -1.644 0.336 -4.879) 5.160 ======================= Grid point 219 (71/84) ======================= q-point: ( 0.38 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( 0.203 3.603 3.034) 4.714 2.306 ( -0.706 0.360 -3.919) 3.998 2.653 ( 0.361 -9.950 5.971) 11.610 2.744 ( -2.855 -14.302 -2.007) 14.722 3.033 ( 10.330 -5.379 8.311) 14.307 3.119 ( 12.865 -4.373 -0.924) 13.619 3.317 ( 10.581 2.760 2.317) 11.178 3.473 ( 11.581 0.115 -11.280) 16.167 3.894 ( -6.279 7.497 5.238) 11.094 3.975 ( -5.443 6.471 -2.259) 8.752 4.372 ( -5.081 -3.143 6.639) 8.932 4.494 ( -3.668 -5.439 -5.252) 8.404 4.653 ( -8.490 10.970 15.789) 21.017 4.913 ( -7.417 6.480 -8.669) 13.121 5.293 ( -1.541 -3.669 12.243) 12.873 5.456 ( -3.359 2.261 -0.086) 4.050 5.618 ( 5.736 -3.266 11.406) 13.178 5.902 ( -1.202 4.164 -13.958) 14.615 6.151 ( -5.724 7.643 9.301) 13.330 6.341 ( -3.892 5.288 -8.773) 10.958 6.500 ( 14.401 -0.617 14.067) 20.141 6.670 ( 3.903 1.082 9.937) 10.731 6.770 ( 10.402 -10.270 -1.047) 14.655 6.861 ( 7.502 -2.587 -20.855) 22.314 7.020 ( -1.384 -5.300 -2.387) 5.975 7.156 ( -7.606 -3.008 -11.750) 14.317 7.933 ( 0.437 0.231 7.444) 7.461 8.081 ( 1.062 0.889 -5.277) 5.455 8.253 ( -1.079 -1.035 -0.374) 1.541 8.336 ( 1.994 0.699 -9.345) 9.581 8.996 ( -7.772 -6.261 4.961) 11.145 9.048 ( -7.452 -3.561 -0.456) 8.271 9.504 ( -1.284 0.768 14.088) 14.167 9.642 ( -6.149 5.158 5.031) 9.472 9.750 ( -0.102 0.791 -4.295) 4.369 9.849 ( -0.226 -2.780 -9.362) 9.769 10.073 ( 6.194 4.497 3.144) 8.275 10.176 ( 9.254 2.393 -6.542) 11.582 10.762 ( 4.526 -4.370 4.080) 7.498 10.830 ( 5.151 -3.792 -2.617) 6.911 10.920 ( -0.227 0.690 4.061) 4.126 11.000 ( 0.951 0.759 -2.942) 3.184 11.798 ( -8.109 -6.551 19.275) 21.913 12.081 ( 1.692 1.076 1.721) 2.642 12.170 ( 7.180 0.621 5.790) 9.244 12.498 ( 3.087 1.771 -16.791) 17.164 12.776 ( -6.599 7.462 1.085) 10.020 12.858 ( -5.638 4.365 -7.526) 10.367 13.034 ( -5.916 0.230 3.956) 7.120 13.084 ( -5.901 -0.350 -1.322) 6.057 14.465 ( 1.264 -3.111 11.599) 12.075 14.699 ( 2.096 -3.696 -12.086) 12.811 15.350 ( -1.094 3.264 7.288) 8.060 15.447 ( 0.130 5.165 -0.747) 5.220 15.855 ( 0.004 -6.467 -1.717) 6.691 15.952 ( -0.972 -1.805 -10.202) 10.406 18.158 ( -6.513 -2.437 12.814) 14.579 18.382 ( -5.285 -2.431 -9.733) 11.339 19.270 ( -4.749 0.133 17.426) 18.062 19.575 ( -1.285 0.920 9.560) 9.689 19.662 ( 6.041 10.500 -5.968) 13.504 20.065 ( 2.302 -1.484 -24.568) 24.720 20.650 ( 4.005 -0.638 14.438) 14.997 20.962 ( 3.145 -1.493 -17.318) 17.665 23.161 ( -0.564 0.239 10.671) 10.688 23.307 ( -0.754 0.111 -4.852) 4.912 ======================= Grid point 220 (72/84) ======================= q-point: (-0.50 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( -3.745 2.283 3.597) 5.672 2.251 ( -6.362 -0.314 -4.575) 7.842 2.829 ( 3.939 -6.512 4.758) 8.975 2.891 ( 2.958 -7.895 -0.341) 8.438 3.148 ( -0.366 3.881 4.867) 6.236 3.240 ( 1.012 7.421 -3.947) 8.466 3.451 ( 12.316 7.756 4.642) 15.277 3.572 ( 5.555 6.681 -7.727) 11.628 3.835 ( 5.354 -1.305 4.654) 7.213 3.902 ( 2.513 -0.555 -1.898) 3.198 4.365 ( -1.629 -3.680 10.755) 11.483 4.496 ( -0.399 -3.339 8.203) 8.866 4.518 ( 0.585 -3.860 -2.192) 4.477 4.793 ( -0.798 -1.346 -12.904) 12.998 5.289 ( -5.334 -2.162 10.116) 11.638 5.348 ( -7.107 -1.199 2.444) 7.610 5.608 ( -9.502 4.819 7.188) 12.852 5.767 ( -7.638 -3.862 0.636) 8.582 5.868 ( -13.481 4.594 5.008) 15.097 6.100 ( -14.282 5.870 -10.314) 18.569 6.641 ( -6.162 0.883 8.385) 10.443 6.736 ( 3.389 4.673 7.380) 9.370 6.904 ( 4.416 2.041 -4.652) 6.731 7.039 ( 11.923 1.815 -11.233) 16.481 7.122 ( 10.158 -5.115 1.287) 11.446 7.308 ( 14.332 -3.676 -13.040) 19.722 7.930 ( -0.585 0.171 9.404) 9.423 8.084 ( 2.267 1.657 -1.317) 3.101 8.228 ( -3.841 -1.509 -5.305) 6.721 8.322 ( -1.967 2.072 -10.983) 11.349 8.993 ( -3.223 -8.569 5.976) 10.933 9.063 ( 0.135 -7.250 -1.031) 7.324 9.536 ( 5.043 -1.062 10.742) 11.915 9.561 ( 1.446 0.601 10.623) 10.737 9.759 ( 2.337 -1.539 -4.079) 4.947 9.906 ( 2.659 -0.791 -13.216) 13.504 10.153 ( 11.089 6.710 6.394) 14.452 10.295 ( 10.990 6.093 -7.997) 14.895 10.755 ( -8.768 1.290 1.933) 9.071 10.781 ( -5.706 0.669 -0.540) 5.770 11.010 ( 4.365 0.730 1.913) 4.821 11.045 ( 4.315 0.969 -1.125) 4.563 11.730 ( -9.461 -7.193 19.394) 22.746 12.028 ( -6.203 -0.604 -8.233) 10.326 12.243 ( 3.835 8.072 13.105) 15.862 12.456 ( -3.724 -3.687 -7.396) 9.064 12.600 ( -5.332 2.036 3.320) 6.603 12.815 ( 4.145 0.113 -15.473) 16.019 13.075 ( 6.449 -3.814 2.827) 8.008 13.113 ( 4.726 -3.700 -1.300) 6.141 14.519 ( 1.856 -1.338 12.762) 12.966 14.777 ( 3.126 -1.773 -13.468) 13.939 15.260 ( -4.869 2.490 8.279) 9.922 15.374 ( -3.185 2.392 -1.466) 4.244 15.853 ( -6.909 -2.990 -2.523) 7.939 15.931 ( -4.533 -1.991 -9.143) 10.397 18.128 ( -3.089 -6.356 13.850) 15.548 18.367 ( -1.767 -5.141 -9.845) 11.246 19.201 ( -5.060 -2.521 16.002) 16.971 19.522 ( 0.158 4.627 -9.827) 10.863 19.679 ( 6.154 5.246 13.396) 15.647 20.113 ( 3.012 0.704 -24.673) 24.866 20.671 ( -0.354 2.449 14.234) 14.447 20.978 ( -1.528 1.430 -16.994) 17.123 23.161 ( 0.484 -0.206 10.543) 10.556 23.304 ( 0.157 -0.448 -4.696) 4.720 ======================= Grid point 221 (73/84) ======================= q-point: (-0.38 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( -9.931 0.695 2.947) 10.382 2.087 ( -13.081 -0.205 -2.007) 13.236 2.717 ( -10.945 9.249 12.069) 18.735 2.918 ( -7.929 13.739 9.077) 18.277 2.980 ( -1.435 1.880 -6.672) 7.078 3.211 ( 0.835 5.608 -12.970) 14.155 3.560 ( 13.412 4.736 2.608) 14.461 3.620 ( 8.257 1.634 -3.548) 9.134 3.948 ( 2.934 -3.816 3.803) 6.134 4.011 ( 5.324 -1.314 -2.652) 6.091 4.450 ( 2.569 -6.606 17.271) 18.669 4.627 ( 4.897 -8.409 -2.306) 10.000 4.712 ( 13.958 -6.010 6.826) 16.660 4.927 ( 8.683 -8.461 -8.786) 14.973 5.154 ( -12.013 8.425 15.500) 21.343 5.240 ( -8.283 6.525 8.314) 13.428 5.276 ( -4.810 -2.847 0.718) 5.635 5.684 ( -6.854 6.224 -14.436) 17.150 5.750 ( -11.214 -11.798 0.146) 16.278 5.818 ( -12.440 -8.673 -0.027) 15.165 6.456 ( -9.866 6.210 3.618) 12.206 6.539 ( -11.448 4.878 -2.680) 12.729 6.968 ( 4.548 9.483 4.059) 11.273 7.122 ( 5.358 7.629 -11.619) 14.897 7.362 ( 11.074 -0.691 7.560) 13.426 7.567 ( 12.543 1.925 -12.335) 17.697 7.903 ( -1.638 1.400 12.428) 12.613 8.136 ( 3.082 -1.003 -0.930) 3.372 8.170 ( -2.494 0.547 -9.877) 10.202 8.224 ( -4.703 3.489 -9.230) 10.930 9.095 ( 1.472 -9.963 7.657) 12.651 9.189 ( 3.847 -8.160 -1.840) 9.207 9.654 ( 6.692 -2.414 14.114) 15.805 9.706 ( 8.994 -6.723 8.156) 13.878 9.872 ( 7.397 -2.969 -5.417) 9.637 9.943 ( 2.739 1.808 -10.869) 11.354 10.276 ( 11.454 5.633 6.112) 14.152 10.413 ( 10.035 4.848 -7.833) 13.622 10.533 ( -11.582 5.368 2.759) 13.061 10.614 ( -7.529 5.599 -5.127) 10.692 11.025 ( -0.344 1.765 1.364) 2.257 11.053 ( -1.064 2.558 -1.180) 3.011 11.661 ( -5.763 -3.686 17.830) 19.097 11.921 ( -6.399 -0.382 -7.807) 10.101 12.144 ( -2.656 5.768 13.815) 15.205 12.446 ( -2.582 -0.873 -15.263) 15.505 12.638 ( 2.949 -8.638 12.174) 15.216 12.913 ( 5.785 -0.726 -14.621) 15.741 13.297 ( 8.489 -9.331 0.595) 12.629 13.304 ( 9.478 -8.715 0.081) 12.876 14.564 ( 3.394 0.659 14.659) 15.061 14.851 ( 5.675 1.577 -14.658) 15.798 15.145 ( -6.605 -0.218 10.446) 12.361 15.293 ( -3.794 0.935 -2.352) 4.561 15.712 ( -11.108 0.311 -1.852) 11.266 15.820 ( -10.095 0.481 -10.801) 14.792 18.209 ( 0.278 -11.181 14.151) 18.037 18.448 ( 1.746 -8.668 -9.156) 12.728 19.154 ( -6.108 -5.045 14.990) 16.954 19.481 ( 1.134 4.217 -14.661) 15.297 19.733 ( 6.438 3.603 16.933) 18.471 20.158 ( 4.644 2.249 -23.185) 23.752 20.578 ( -4.220 6.462 13.194) 15.286 20.872 ( -6.143 5.553 -16.601) 18.552 23.182 ( 1.209 -1.020 10.311) 10.431 23.323 ( 0.828 -1.171 -4.623) 4.840 ======================= Grid point 222 (74/84) ======================= q-point: (-0.25 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( -11.856 1.024 2.199) 12.102 1.853 ( -12.010 1.572 -0.119) 12.113 2.423 ( -6.635 10.413 22.150) 25.359 2.637 ( -6.503 11.536 20.881) 24.726 2.886 ( -3.787 1.109 -22.040) 22.390 3.081 ( -4.446 7.181 -21.197) 22.818 3.740 ( 13.044 6.079 6.247) 15.689 3.829 ( 13.559 1.030 -2.720) 13.867 4.030 ( -2.265 -9.407 1.614) 9.809 4.081 ( -0.378 -6.387 -2.877) 7.016 4.501 ( -0.655 5.097 25.846) 26.352 4.612 ( -8.138 14.059 29.053) 33.286 4.856 ( -0.526 0.051 -7.355) 7.374 5.037 ( 13.740 -5.539 12.809) 19.584 5.204 ( 4.767 -4.858 -5.312) 8.634 5.290 ( 4.216 -3.636 -6.339) 8.436 5.343 ( 4.657 -7.774 -12.646) 15.558 5.452 ( -3.256 -1.626 -14.381) 14.835 5.730 ( -9.575 -15.115 7.751) 19.499 5.844 ( -5.539 -14.172 -0.813) 15.238 6.224 ( -5.484 7.666 2.278) 9.698 6.294 ( -11.272 3.208 -4.771) 12.653 6.830 ( -2.163 14.860 8.157) 17.089 7.052 ( 1.034 12.114 -14.126) 18.638 7.483 ( 5.233 3.297 7.239) 9.522 7.642 ( 3.443 7.503 -9.274) 12.416 7.844 ( -2.467 2.387 14.143) 14.554 8.072 ( -1.323 6.199 4.287) 7.652 8.121 ( -2.561 2.192 -14.268) 14.661 8.239 ( 2.326 -3.257 -12.397) 13.027 9.249 ( 2.011 -9.636 9.906) 13.965 9.373 ( 4.090 -9.613 -2.663) 10.781 9.806 ( 8.541 -0.462 11.287) 14.162 9.940 ( 5.938 -3.882 5.161) 8.773 9.980 ( 6.644 -1.088 -3.149) 7.432 10.058 ( 7.130 -4.516 -4.720) 9.670 10.251 ( -12.365 4.306 1.214) 13.150 10.295 ( -7.906 1.312 -1.675) 8.188 10.488 ( 10.472 6.335 1.653) 12.351 10.591 ( 11.162 4.856 -8.027) 14.581 10.965 ( -5.202 0.987 -0.265) 5.301 10.977 ( -4.771 -0.654 -1.396) 5.014 11.641 ( 0.729 -0.036 13.013) 13.034 11.833 ( -3.347 1.051 -7.052) 7.876 12.029 ( -3.750 4.738 18.961) 19.900 12.415 ( -1.606 0.178 -17.682) 17.755 12.794 ( 1.680 -9.200 8.881) 12.897 13.011 ( 3.158 -2.528 -11.755) 12.431 13.566 ( 7.054 -13.417 1.871) 15.274 13.599 ( 8.452 -12.544 -1.328) 15.184 14.624 ( 4.679 1.070 17.447) 18.095 14.945 ( 9.432 3.648 -15.494) 18.503 15.058 ( -5.020 -2.403 12.693) 13.859 15.229 ( -1.200 2.575 -0.376) 2.866 15.488 ( -12.185 2.813 -5.721) 13.751 15.580 ( -14.492 3.919 -10.980) 18.599 18.404 ( 2.903 -16.442 13.967) 21.768 18.640 ( 5.624 -13.158 -8.458) 16.623 19.104 ( -7.855 -5.922 14.556) 17.568 19.447 ( 0.621 4.716 -17.942) 18.562 19.805 ( 5.856 2.268 19.052) 20.060 20.218 ( 6.922 4.650 -18.546) 20.334 20.384 ( -6.065 9.983 8.456) 14.420 20.638 ( -10.001 10.140 -15.423) 20.993 23.225 ( 1.343 -2.226 9.567) 9.914 23.356 ( 0.893 -1.751 -4.458) 4.872 ======================= Grid point 223 (75/84) ======================= q-point: (-0.12 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( -0.000 2.159 2.621) 3.396 1.714 ( -0.000 1.584 0.721) 1.741 2.272 ( -0.000 6.290 30.762) 31.398 2.461 ( -0.000 7.419 26.572) 27.588 2.861 ( 0.000 -1.354 -29.726) 29.757 2.962 ( -0.000 4.820 -24.534) 25.003 3.757 ( -0.000 10.302 6.918) 12.409 3.876 ( -0.000 11.575 -5.312) 12.736 4.163 ( 0.000 -16.077 3.582) 16.471 4.213 ( -0.000 20.671 51.027) 55.055 4.231 ( 0.000 -15.062 -3.051) 15.368 4.553 ( 0.000 -4.557 17.938) 18.508 4.867 ( 0.000 -0.265 -12.458) 12.461 5.104 ( -0.000 9.918 -40.036) 41.246 5.270 ( 0.000 -6.104 21.396) 22.249 5.313 ( 0.000 -0.086 7.188) 7.188 5.446 ( 0.000 -2.141 -7.264) 7.573 5.664 ( 0.000 -13.262 -15.703) 20.554 5.816 ( 0.000 -13.682 12.782) 18.724 6.022 ( 0.000 -17.989 -4.154) 18.462 6.077 ( -0.000 6.429 2.525) 6.907 6.153 ( -0.000 2.054 -5.573) 5.940 6.608 ( -0.000 15.317 12.119) 19.532 6.910 ( -0.000 11.069 -18.266) 21.358 7.451 ( -0.000 9.699 5.637) 11.218 7.575 ( -0.000 5.733 -6.532) 8.691 7.782 ( -0.000 2.888 14.586) 14.870 7.991 ( -0.000 5.728 11.484) 12.834 8.071 ( -0.000 2.249 -15.159) 15.325 8.294 ( 0.000 -2.587 -18.164) 18.348 9.376 ( 0.000 -8.550 10.151) 13.272 9.516 ( 0.000 -7.836 -3.716) 8.672 9.903 ( -0.000 2.643 8.759) 9.149 10.008 ( -0.000 5.667 -1.429) 5.845 10.040 ( -0.000 0.792 4.415) 4.485 10.113 ( 0.000 -0.556 -3.185) 3.234 10.128 ( 0.000 -1.824 2.732) 3.285 10.223 ( 0.000 -4.564 -4.520) 6.423 10.566 ( -0.000 1.326 4.407) 4.602 10.695 ( 0.000 -0.324 -8.790) 8.796 10.886 ( -0.000 0.213 2.037) 2.048 10.941 ( 0.000 -2.142 -3.529) 4.128 11.658 ( -0.000 0.584 7.392) 7.415 11.788 ( -0.000 1.516 -6.060) 6.247 11.922 ( -0.000 5.486 24.350) 24.961 12.388 ( -0.000 1.551 -22.407) 22.460 12.909 ( 0.000 -8.165 6.928) 10.708 13.071 ( 0.000 -3.066 -9.113) 9.615 13.809 ( 0.000 -13.798 1.352) 13.864 13.834 ( 0.000 -12.164 -1.203) 12.223 14.669 ( -0.000 0.107 19.709) 19.709 15.032 ( 0.000 -0.679 -14.820) 14.836 15.055 ( 0.000 -0.027 10.368) 10.368 15.166 ( -0.000 7.276 7.831) 10.690 15.322 ( -0.000 2.382 -14.498) 14.692 15.327 ( -0.000 6.346 -8.716) 10.781 18.664 ( 0.000 -19.416 13.986) 23.929 18.929 ( 0.000 -18.854 -13.414) 23.139 19.045 ( 0.000 -3.016 17.067) 17.332 19.377 ( -0.000 7.296 -17.846) 19.280 19.853 ( -0.000 0.451 22.770) 22.775 20.136 ( -0.000 13.999 9.685) 17.023 20.323 ( -0.000 17.124 -9.584) 19.623 20.333 ( 0.000 -0.433 -26.100) 26.104 23.270 ( 0.000 -2.796 8.257) 8.718 23.386 ( 0.000 -1.664 -4.109) 4.433 ======================= Grid point 226 (76/84) ======================= q-point: ( 0.25 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( 1.633 0.000 -1.144) 1.994 2.310 ( -1.265 -0.000 -1.990) 2.358 2.505 ( 1.264 0.000 2.346) 2.665 2.531 ( -1.871 -0.000 -0.339) 1.902 2.977 ( 11.396 0.000 7.641) 13.721 3.029 ( 14.739 0.000 2.680) 14.981 3.347 ( 16.425 0.000 0.712) 16.440 3.472 ( 13.269 0.000 -10.009) 16.621 4.027 ( -4.061 -0.000 3.778) 5.547 4.098 ( -8.332 -0.000 -2.132) 8.600 4.303 ( -6.060 -0.000 5.602) 8.253 4.386 ( -4.880 -0.000 -2.232) 5.366 4.900 ( -8.624 -0.000 9.614) 12.915 4.939 ( -10.386 -0.000 7.906) 13.053 5.243 ( -5.905 -0.000 6.108) 8.496 5.428 ( -14.639 -0.000 -9.189) 17.284 5.609 ( 7.485 0.000 20.295) 21.631 5.966 ( 1.510 0.000 -16.962) 17.029 6.352 ( 8.585 0.000 8.948) 12.401 6.449 ( -4.422 -0.000 -2.527) 5.094 6.459 ( -0.039 -0.000 4.421) 4.421 6.539 ( 17.661 0.000 14.291) 22.719 6.711 ( 13.223 0.000 -19.372) 23.454 6.845 ( -6.851 -0.000 14.180) 15.748 6.880 ( 14.564 0.000 -20.633) 25.256 7.120 ( -10.923 -0.000 -12.581) 16.661 7.946 ( -0.007 -0.000 6.116) 6.116 8.067 ( 4.286 0.000 -4.496) 6.212 8.260 ( -2.568 -0.000 0.851) 2.705 8.343 ( 2.359 0.000 -8.885) 9.192 8.902 ( -12.014 -0.000 7.945) 14.403 8.999 ( -9.562 -0.000 -2.022) 9.773 9.517 ( -1.082 -0.000 14.793) 14.832 9.721 ( -7.346 -0.000 3.409) 8.099 9.768 ( -1.288 -0.000 -10.411) 10.490 9.801 ( -0.620 -0.000 -4.995) 5.033 10.167 ( 12.005 0.000 -0.520) 12.016 10.177 ( 9.596 0.000 -1.523) 9.716 10.699 ( 6.374 0.000 3.887) 7.466 10.772 ( 7.198 0.000 -3.372) 7.948 10.932 ( -1.172 -0.000 3.953) 4.123 11.010 ( 0.411 0.000 -2.979) 3.007 11.715 ( -8.263 -0.000 21.766) 23.281 12.098 ( -2.352 -0.000 -16.105) 16.276 12.160 ( 10.054 0.000 19.774) 22.183 12.527 ( 6.799 0.000 -17.841) 19.093 12.903 ( -9.352 -0.000 -0.618) 9.373 12.912 ( -6.978 -0.000 -1.047) 7.057 13.054 ( -11.558 -0.000 1.031) 11.604 13.060 ( -6.200 -0.000 0.294) 6.207 14.416 ( 2.137 0.000 11.552) 11.748 14.643 ( 2.703 0.000 -11.260) 11.580 15.395 ( -0.890 -0.000 8.241) 8.289 15.580 ( -0.053 -0.000 -10.953) 10.953 15.706 ( -0.094 -0.000 9.245) 9.245 15.923 ( -1.606 -0.000 -13.297) 13.394 18.126 ( -8.334 -0.000 11.846) 14.484 18.342 ( -6.971 -0.000 -10.409) 12.527 19.290 ( -4.980 -0.000 23.852) 24.366 19.571 ( 0.184 0.000 17.876) 17.877 19.838 ( 0.663 0.000 -24.149) 24.158 20.025 ( 5.646 0.000 -19.883) 20.669 20.640 ( 5.880 0.000 14.074) 15.253 20.938 ( 4.803 0.000 -16.315) 17.007 23.165 ( -0.847 -0.000 10.560) 10.594 23.309 ( -1.075 -0.000 -4.767) 4.886 ======================= Grid point 227 (77/84) ======================= q-point: ( 0.38 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( -6.353 1.638 -0.268) 6.566 2.260 ( -6.168 1.010 -3.210) 7.026 2.623 ( 6.801 -7.149 2.381) 10.151 2.700 ( 14.718 -5.419 -4.245) 16.249 3.177 ( 10.002 1.222 6.005) 11.730 3.274 ( 11.249 -2.495 -3.605) 12.073 3.626 ( 11.668 4.657 5.049) 13.539 3.685 ( 14.364 -0.135 -1.695) 14.464 3.903 ( -4.374 6.157 0.750) 7.590 3.917 ( -8.461 1.586 -0.671) 8.635 4.310 ( 4.595 -1.804 2.979) 5.766 4.374 ( -1.388 -3.898 -2.390) 4.779 4.617 ( -9.334 9.711 12.544) 18.406 4.808 ( -9.483 -0.756 -4.835) 10.671 5.119 ( -11.290 -5.812 6.585) 14.304 5.224 ( -13.192 -9.601 -2.887) 16.570 5.577 ( -8.790 0.312 14.985) 17.375 5.819 ( -13.747 2.904 -10.372) 17.464 6.216 ( -3.847 15.583 6.326) 17.252 6.280 ( -7.882 7.048 3.496) 11.136 6.613 ( -0.616 -4.052 5.144) 6.577 6.782 ( -0.759 -0.326 -7.591) 7.636 6.862 ( 0.291 -5.624 2.243) 6.061 6.945 ( 24.379 -1.450 11.690) 27.075 7.046 ( 3.974 -3.995 -14.900) 15.930 7.244 ( 23.081 -0.688 -15.955) 28.067 7.940 ( -0.232 0.542 8.955) 8.975 8.130 ( 2.858 0.878 -7.850) 8.401 8.199 ( -3.589 -0.073 4.315) 5.613 8.354 ( -0.421 0.640 -9.926) 9.956 8.797 ( -4.963 -5.892 8.046) 11.139 8.908 ( -3.575 -3.905 -3.060) 6.115 9.543 ( 3.543 0.626 11.717) 12.257 9.613 ( -1.521 2.798 8.048) 8.656 9.712 ( -1.193 -2.330 -4.612) 5.303 9.893 ( 5.650 -0.151 -14.136) 15.224 10.316 ( 11.843 5.928 2.711) 13.518 10.389 ( 11.447 0.681 -4.663) 12.379 10.768 ( -1.294 -0.342 1.717) 2.177 10.777 ( -4.453 -0.034 0.517) 4.483 11.003 ( 6.383 -0.817 1.005) 6.513 11.037 ( 2.848 -0.895 -2.009) 3.598 11.594 ( -7.421 -3.174 24.457) 25.754 12.029 ( -5.020 0.279 -18.387) 19.062 12.293 ( 4.063 -1.650 16.136) 16.721 12.479 ( -11.339 3.575 -2.096) 12.072 12.694 ( -9.954 3.119 0.804) 10.462 12.830 ( 4.746 0.519 -13.046) 13.892 13.014 ( 2.413 -1.163 2.667) 3.780 13.053 ( 1.854 -1.195 -1.514) 2.675 14.471 ( 2.829 -1.636 12.504) 12.924 14.708 ( 2.883 -2.436 -11.177) 11.797 15.336 ( -4.094 2.257 7.033) 8.445 15.490 ( -3.423 6.719 -5.892) 9.570 15.720 ( -5.355 -7.114 1.903) 9.106 15.873 ( -5.221 -1.944 -11.169) 12.482 18.018 ( -6.004 -2.411 13.353) 14.838 18.260 ( -4.577 -2.735 -11.670) 12.830 19.205 ( -4.090 1.085 24.195) 24.562 19.561 ( -1.180 0.142 7.969) 8.058 19.831 ( 2.976 4.771 -13.713) 14.821 20.115 ( 4.351 -0.318 -22.496) 22.915 20.711 ( 2.741 0.844 13.796) 14.091 20.994 ( 1.596 0.185 -15.144) 15.229 23.159 ( 0.147 0.014 10.280) 10.281 23.297 ( -0.355 -0.134 -4.397) 4.414 ======================= Grid point 228 (78/84) ======================= q-point: (-0.50 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( -12.877 -0.142 0.900) 12.909 2.094 ( -11.059 1.307 -3.073) 11.552 2.818 ( 4.763 -2.834 7.924) 9.669 2.995 ( 11.285 -0.029 -9.163) 14.537 3.172 ( -4.874 7.263 9.980) 13.271 3.362 ( 1.502 7.856 -7.242) 10.790 3.619 ( -2.435 3.969 4.247) 6.302 3.725 ( 0.458 8.132 -5.036) 9.576 3.883 ( 1.462 -5.801 5.705) 8.266 3.995 ( 11.377 -2.978 -4.223) 12.495 4.344 ( 0.056 -0.302 9.124) 9.129 4.421 ( 6.604 -3.115 -0.096) 7.302 4.595 ( 9.561 -2.909 4.746) 11.064 4.748 ( 0.399 -6.121 -8.125) 10.180 5.075 ( -8.347 -12.696 7.416) 16.907 5.131 ( -10.140 -5.170 0.858) 11.414 5.433 ( -10.500 -8.033 3.480) 13.671 5.530 ( -15.948 0.198 -4.382) 16.540 5.895 ( -4.090 25.348 13.982) 29.236 6.063 ( -4.371 11.211 0.588) 12.048 6.526 ( -7.673 3.127 -0.166) 8.287 6.628 ( -11.752 1.244 -7.507) 14.001 7.038 ( 5.564 -6.031 3.544) 8.938 7.172 ( 4.642 -2.769 -9.761) 11.158 7.345 ( 18.309 0.757 10.875) 21.309 7.595 ( 17.382 1.040 -13.256) 21.884 7.925 ( -0.748 0.670 12.069) 12.111 8.131 ( 0.422 1.070 5.991) 6.100 8.176 ( 0.131 0.049 -12.932) 12.933 8.310 ( -2.439 2.972 -11.509) 12.135 8.849 ( -0.070 -9.445 8.487) 12.698 8.968 ( 0.565 -9.169 -3.248) 9.743 9.583 ( 3.213 -0.823 9.495) 10.058 9.666 ( 8.329 0.421 9.145) 12.376 9.786 ( 5.039 -3.718 -1.566) 6.455 9.979 ( 5.325 1.305 -12.593) 13.735 10.412 ( 6.330 5.362 3.450) 8.985 10.504 ( 1.925 2.851 -5.821) 6.762 10.655 ( -2.666 4.114 1.951) 5.276 10.706 ( -3.402 1.907 -2.642) 4.711 11.069 ( 0.772 1.335 0.145) 1.549 11.080 ( -1.778 -1.269 -0.727) 2.302 11.568 ( -0.035 -3.151 22.063) 22.287 11.930 ( -5.059 1.221 -12.898) 13.908 12.230 ( -11.551 1.364 5.531) 12.880 12.343 ( -2.369 -5.346 -3.777) 6.961 12.598 ( 2.696 3.197 14.737) 15.319 12.933 ( 6.983 1.285 -16.893) 18.324 13.112 ( 3.675 -5.461 1.153) 6.682 13.134 ( 3.857 -4.856 -0.869) 6.262 14.545 ( 3.416 -1.671 14.189) 14.689 14.794 ( 2.572 -4.084 -10.328) 11.400 15.223 ( -3.836 4.146 5.429) 7.835 15.357 ( -3.154 4.816 -4.180) 7.114 15.664 ( -9.286 -4.275 -0.727) 10.249 15.791 ( -8.063 -2.347 -10.933) 13.786 17.987 ( -3.643 -6.432 14.631) 16.392 18.253 ( -2.570 -6.324 -12.704) 14.422 19.130 ( -3.164 1.250 24.118) 24.357 19.536 ( -0.962 0.634 -3.449) 3.637 19.838 ( 4.283 4.330 -2.318) 6.516 20.185 ( 4.188 0.259 -23.616) 23.986 20.706 ( -0.123 3.852 13.363) 13.907 20.978 ( -1.413 3.138 -14.484) 14.887 23.168 ( 0.641 -0.266 10.004) 10.028 23.301 ( 0.202 -0.626 -4.123) 4.176 ======================= Grid point 229 (79/84) ======================= q-point: (-0.38 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( -12.271 -0.581 2.700) 12.578 1.885 ( -10.501 1.217 -2.511) 10.866 2.746 ( -2.523 15.096 11.371) 19.067 2.936 ( -8.050 9.828 15.107) 19.738 3.000 ( -1.539 8.405 -11.744) 14.524 3.272 ( -2.444 7.055 -14.036) 15.898 3.549 ( -3.615 -6.428 5.252) 9.054 3.705 ( 3.350 -4.019 -8.452) 9.940 3.987 ( 3.434 -0.804 11.589) 12.114 4.192 ( 8.820 3.572 -8.631) 12.847 4.452 ( 4.934 -4.269 14.081) 15.519 4.651 ( 9.548 -8.566 -5.089) 13.799 4.841 ( 9.406 -8.353 4.673) 13.419 4.938 ( 5.531 -14.956 -4.518) 16.574 5.036 ( -3.879 -3.553 8.392) 9.904 5.115 ( -2.370 -8.367 0.568) 8.715 5.288 ( -9.814 2.440 5.947) 11.732 5.402 ( -11.834 -10.906 -3.595) 16.489 5.558 ( -1.921 15.446 15.884) 22.239 5.879 ( 3.913 18.181 -10.143) 21.183 6.325 ( -10.510 2.464 0.412) 10.803 6.401 ( -10.427 3.913 -5.126) 12.260 7.107 ( 1.364 5.122 4.721) 7.098 7.239 ( 2.022 1.303 -7.955) 8.311 7.526 ( 6.713 2.679 11.352) 13.458 7.783 ( 7.718 3.848 -13.919) 16.374 7.893 ( -1.430 1.449 13.766) 13.916 8.144 ( 0.524 0.427 -7.002) 7.034 8.186 ( 1.392 -0.310 -6.624) 6.776 8.218 ( -1.853 4.758 -7.097) 8.743 8.999 ( 2.136 -10.994 8.745) 14.209 9.119 ( 2.127 -11.404 -3.449) 12.102 9.694 ( 4.710 -5.182 13.037) 14.798 9.837 ( 9.372 -2.530 5.047) 10.941 9.943 ( 7.324 -3.679 -1.935) 8.421 10.045 ( 5.472 2.866 -6.117) 8.694 10.324 ( -12.119 1.968 1.466) 12.365 10.361 ( -7.597 3.786 -4.308) 9.519 10.662 ( 8.851 6.624 1.190) 11.119 10.718 ( 7.149 3.281 -3.825) 8.747 10.991 ( -7.693 1.805 -1.334) 8.014 11.000 ( -5.241 1.919 -2.426) 6.086 11.638 ( 4.693 -0.095 14.586) 15.323 11.856 ( -1.950 0.950 -7.364) 7.677 12.070 ( -7.476 -1.076 13.552) 15.515 12.373 ( -1.595 -4.884 -15.942) 16.749 12.648 ( 3.772 -0.606 20.249) 20.606 13.012 ( 4.210 1.942 -16.846) 17.472 13.259 ( 2.423 -11.085 2.197) 11.557 13.304 ( 4.096 -11.038 -2.278) 11.992 14.622 ( 3.370 -1.117 16.712) 17.085 14.880 ( 0.426 -5.052 -5.709) 7.635 15.145 ( 2.100 4.798 1.732) 5.517 15.290 ( 1.278 3.093 -3.873) 5.119 15.520 ( -10.407 -0.210 -3.093) 10.859 15.640 ( -10.750 0.813 -11.088) 15.465 18.053 ( -1.256 -11.557 15.029) 19.000 18.329 ( -0.584 -10.966 -13.312) 17.257 19.068 ( -2.312 1.240 24.567) 24.707 19.517 ( -0.157 1.128 -12.265) 12.318 19.866 ( 3.651 2.754 5.934) 7.492 20.256 ( 4.161 -0.197 -24.309) 24.663 20.615 ( -1.901 8.150 12.605) 15.130 20.868 ( -3.455 8.089 -13.332) 15.973 23.186 ( 0.650 -0.947 9.871) 9.938 23.318 ( 0.396 -1.310 -4.136) 4.357 ======================= Grid point 230 (80/84) ======================= q-point: (-0.25 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( -0.000 0.061 2.944) 2.945 1.765 ( -0.000 1.887 -1.509) 2.416 2.521 ( -0.000 15.128 17.303) 22.984 2.722 ( -0.000 12.875 21.592) 25.139 2.888 ( -0.000 5.231 -20.253) 20.918 3.133 ( -0.000 8.890 -20.029) 21.913 3.690 ( 0.000 -18.517 7.754) 20.075 3.862 ( 0.000 -13.789 -9.265) 16.613 3.982 ( -0.000 6.246 11.388) 12.989 4.171 ( -0.000 10.993 -7.916) 13.546 4.513 ( 0.000 -0.536 17.367) 17.375 4.824 ( 0.000 -3.823 -13.419) 13.953 4.830 ( -0.000 22.636 32.010) 39.205 5.102 ( 0.000 -7.764 8.911) 11.818 5.219 ( 0.000 -7.411 5.452) 9.201 5.231 ( 0.000 -20.559 -6.165) 21.464 5.286 ( 0.000 -5.959 -2.329) 6.398 5.314 ( 0.000 -7.708 -3.749) 8.572 5.498 ( 0.000 -5.760 2.816) 6.412 5.754 ( -0.000 8.402 -15.234) 17.398 6.193 ( -0.000 0.841 1.331) 1.575 6.242 ( -0.000 5.855 -3.285) 6.714 6.992 ( -0.000 13.791 8.852) 16.388 7.194 ( -0.000 8.903 -10.996) 14.148 7.555 ( -0.000 1.497 9.510) 9.627 7.769 ( -0.000 7.773 -12.373) 14.612 7.853 ( -0.000 2.538 14.103) 14.329 8.128 ( -0.000 2.080 -14.252) 14.402 8.139 ( -0.000 5.752 0.536) 5.777 8.224 ( 0.000 -2.608 -8.077) 8.487 9.149 ( 0.000 -10.418 9.995) 14.437 9.281 ( 0.000 -11.341 -3.517) 11.874 9.826 ( 0.000 -8.164 13.124) 15.456 9.990 ( 0.000 -4.681 4.821) 6.720 10.076 ( -0.000 2.290 2.655) 3.507 10.098 ( 0.000 -1.145 -2.596) 2.837 10.113 ( -0.000 0.806 -1.112) 1.373 10.214 ( -0.000 4.451 -9.680) 10.654 10.700 ( -0.000 7.699 1.811) 7.909 10.788 ( -0.000 7.674 -6.634) 10.144 10.844 ( 0.000 -3.727 2.586) 4.536 10.918 ( -0.000 0.348 -5.018) 5.030 11.680 ( -0.000 1.305 8.322) 8.424 11.827 ( -0.000 1.544 -6.821) 6.993 12.008 ( -0.000 0.061 21.317) 21.317 12.395 ( 0.000 -1.268 -16.227) 16.276 12.720 ( 0.000 -5.889 14.768) 15.899 13.029 ( -0.000 0.619 -15.259) 15.271 13.445 ( 0.000 -15.002 2.925) 15.285 13.502 ( 0.000 -14.295 -2.841) 14.575 14.666 ( 0.000 -0.636 19.211) 19.221 14.929 ( 0.000 -4.483 1.849) 4.849 15.153 ( -0.000 3.662 -5.632) 6.718 15.311 ( -0.000 3.926 7.542) 8.502 15.363 ( -0.000 2.010 -17.159) 17.277 15.472 ( -0.000 4.791 -9.075) 10.262 18.214 ( 0.000 -16.409 14.717) 22.042 18.491 ( 0.000 -15.940 -13.859) 21.122 19.028 ( -0.000 1.163 24.664) 24.691 19.496 ( -0.000 2.563 -18.545) 18.721 19.877 ( -0.000 1.565 13.236) 13.328 20.313 ( 0.000 -1.261 -25.828) 25.859 20.466 ( -0.000 12.232 11.998) 17.133 20.695 ( -0.000 13.212 -11.506) 17.520 23.210 ( 0.000 -1.874 9.702) 9.881 23.341 ( 0.000 -1.832 -4.299) 4.673 ======================= Grid point 235 (81/84) ======================= q-point: ( 0.38 -0.62 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( -14.086 -0.000 1.706) 14.189 2.115 ( -11.672 -0.000 -5.341) 12.836 2.739 ( 8.923 0.000 11.389) 14.468 2.982 ( 18.450 0.000 -11.378) 21.676 3.395 ( 10.439 0.000 0.914) 10.479 3.398 ( 3.766 0.000 2.291) 4.408 3.699 ( -2.482 -0.000 5.717) 6.233 3.737 ( -4.451 -0.000 -3.249) 5.511 3.815 ( -6.874 -0.000 1.419) 7.018 3.942 ( 5.982 0.000 -7.010) 9.215 4.450 ( 11.658 0.000 3.471) 12.164 4.483 ( 9.844 0.000 0.651) 9.865 4.566 ( -5.712 -0.000 6.378) 8.562 4.597 ( -8.018 -0.000 3.169) 8.622 4.826 ( -12.716 -0.000 8.189) 15.125 5.013 ( -4.276 -0.000 -9.727) 10.625 5.357 ( -15.295 -0.000 10.513) 18.560 5.557 ( -17.371 -0.000 -10.447) 20.270 6.175 ( -4.496 -0.000 16.835) 17.425 6.359 ( -0.206 -0.000 0.495) 0.536 6.566 ( -1.174 -0.000 2.989) 3.212 6.635 ( -10.686 -0.000 -7.488) 13.048 6.868 ( 2.736 0.000 5.474) 6.119 7.094 ( 4.479 0.000 -16.918) 17.501 7.362 ( 21.938 0.000 12.616) 25.307 7.610 ( 17.871 0.000 -12.241) 21.662 7.935 ( -0.739 -0.000 11.456) 11.480 8.158 ( -0.529 -0.000 8.352) 8.369 8.176 ( 1.383 0.000 -12.931) 13.004 8.351 ( -0.397 -0.000 -10.568) 10.575 8.718 ( -0.320 -0.000 7.766) 7.773 8.839 ( -1.381 -0.000 -4.050) 4.279 9.586 ( 2.598 0.000 6.298) 6.813 9.696 ( 2.108 0.000 -4.739) 5.187 9.712 ( 8.988 0.000 15.081) 17.556 9.997 ( 6.348 0.000 -13.723) 15.120 10.492 ( 1.169 0.000 0.875) 1.460 10.542 ( 3.304 0.000 -4.349) 5.462 10.712 ( 0.483 0.000 0.510) 0.703 10.719 ( -3.377 -0.000 0.192) 3.383 11.039 ( -2.463 -0.000 2.764) 3.702 11.082 ( 2.739 0.000 -2.212) 3.520 11.532 ( 3.035 0.000 22.775) 22.977 11.954 ( -4.274 -0.000 -19.336) 19.803 12.216 ( -9.231 -0.000 9.285) 13.093 12.302 ( -9.790 -0.000 -1.552) 9.912 12.648 ( 2.361 0.000 13.456) 13.661 12.946 ( 6.266 0.000 -15.018) 16.273 13.049 ( 2.339 0.000 1.389) 2.720 13.081 ( 2.047 0.000 -1.923) 2.809 14.519 ( 3.821 0.000 13.037) 13.585 14.735 ( 2.087 0.000 -8.870) 9.112 15.276 ( -4.154 -0.000 5.967) 7.271 15.483 ( -3.469 -0.000 -15.027) 15.423 15.548 ( -7.658 -0.000 9.189) 11.962 15.753 ( -7.051 -0.000 -12.025) 13.940 17.911 ( -4.523 -0.000 14.579) 15.264 18.176 ( -3.273 -0.000 -12.777) 13.189 19.153 ( -2.925 -0.000 25.567) 25.734 19.539 ( -1.351 -0.000 2.644) 2.970 19.897 ( 2.183 0.000 -10.857) 11.074 20.185 ( 3.777 0.000 -23.243) 23.547 20.753 ( 1.365 0.000 13.317) 13.387 21.016 ( 0.567 0.000 -13.607) 13.618 23.165 ( 0.507 0.000 9.771) 9.784 23.293 ( -0.020 -0.000 -3.836) 3.836 ======================= Grid point 237 (82/84) ======================= q-point: (-0.50 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( -12.584 -0.746 3.944) 13.208 1.907 ( -10.837 0.513 -5.958) 12.377 2.834 ( -1.025 -4.408 21.222) 21.699 3.199 ( 5.893 7.124 -6.613) 11.367 3.257 ( 1.305 14.442 -2.325) 14.686 3.419 ( -5.457 8.877 -12.145) 16.002 3.639 ( 0.415 7.227 9.014) 11.560 3.795 ( 1.865 -7.591 4.617) 9.078 3.817 ( 0.936 1.006 -3.077) 3.370 4.010 ( 3.006 -12.897 -9.694) 16.412 4.402 ( 2.111 2.771 9.108) 9.751 4.520 ( 0.179 -3.839 -3.692) 5.329 4.670 ( 0.006 -7.605 4.329) 8.751 4.684 ( 5.329 -4.989 1.988) 7.566 4.826 ( 2.128 -8.831 10.444) 13.842 5.003 ( 0.167 0.355 -4.168) 4.187 5.150 ( -10.345 -6.592 0.693) 12.286 5.287 ( -12.621 0.670 -10.573) 16.478 6.138 ( 2.351 2.797 12.875) 13.384 6.197 ( 1.384 23.470 11.200) 26.042 6.447 ( -9.639 1.755 -5.379) 11.177 6.492 ( -5.308 7.856 -4.054) 10.311 6.983 ( 1.679 -11.456 6.502) 13.279 7.177 ( 1.684 -4.237 -12.784) 13.573 7.628 ( 10.536 3.494 11.022) 15.643 7.817 ( 7.341 -0.336 -6.818) 10.024 7.915 ( -1.251 0.418 12.909) 12.976 8.168 ( 1.049 1.574 -6.988) 7.239 8.194 ( 2.022 0.340 -4.232) 4.703 8.325 ( -0.495 3.557 -10.491) 11.089 8.774 ( 1.885 -6.201 6.608) 9.256 8.875 ( 0.441 -7.107 -3.272) 7.836 9.649 ( 4.488 0.587 8.290) 9.445 9.763 ( 3.872 -2.792 -2.815) 5.542 9.899 ( 11.731 -0.632 11.076) 16.146 10.100 ( 6.545 1.397 -8.495) 10.815 10.363 ( -12.731 1.061 3.016) 13.126 10.444 ( -7.960 2.598 -6.393) 10.535 10.715 ( 0.723 -1.060 3.703) 3.919 10.799 ( 8.503 3.617 -4.042) 10.085 10.983 ( -4.374 -1.722 3.558) 5.895 11.066 ( -3.474 1.935 -4.861) 6.281 11.642 ( 7.850 0.339 14.150) 16.186 11.883 ( -2.666 1.000 -9.222) 9.652 12.049 ( -9.150 0.077 9.421) 13.133 12.229 ( -2.416 -4.765 -8.926) 10.403 12.700 ( 3.912 2.191 19.359) 19.872 13.036 ( 4.097 -1.412 -10.867) 11.699 13.091 ( 0.758 -2.549 -1.172) 2.906 13.120 ( 0.503 -2.942 -5.168) 5.968 14.591 ( 3.483 -0.954 13.511) 13.985 14.778 ( 0.941 -2.683 -5.780) 6.441 15.217 ( -1.187 1.370 4.242) 4.613 15.383 ( -1.852 4.079 -0.266) 4.487 15.480 ( -4.964 -2.780 -7.218) 9.191 15.635 ( -7.558 -0.582 -12.493) 14.613 17.873 ( -2.354 -3.591 15.516) 16.099 18.154 ( -1.715 -3.586 -13.562) 14.132 19.107 ( -1.539 1.236 25.868) 25.943 19.521 ( -0.767 -0.226 -2.619) 2.738 19.920 ( 1.744 1.410 -5.981) 6.388 20.241 ( 2.421 -0.614 -24.417) 24.545 20.749 ( 0.164 2.892 13.070) 13.387 21.002 ( -0.362 2.909 -12.870) 13.199 23.175 ( 0.427 -0.164 9.479) 9.490 23.297 ( 0.124 -0.442 -3.539) 3.569 ======================= Grid point 238 (83/84) ======================= q-point: (-0.38 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 0.000 -1.052 4.589) 4.708 1.796 ( -0.000 0.814 -4.735) 4.804 2.868 ( 0.000 -3.970 22.378) 22.727 2.974 ( -0.000 21.470 7.787) 22.839 3.153 ( -0.000 16.689 -10.179) 19.548 3.293 ( -0.000 1.171 -20.683) 20.716 3.520 ( -0.000 7.460 9.931) 12.421 3.726 ( -0.000 5.332 -10.974) 12.201 3.963 ( 0.000 -9.142 14.699) 17.310 4.242 ( 0.000 -10.408 -13.370) 16.943 4.477 ( 0.000 -3.338 11.675) 12.143 4.654 ( 0.000 -10.490 -6.641) 12.415 4.754 ( 0.000 -11.853 6.109) 13.335 4.782 ( 0.000 -9.416 2.253) 9.682 4.974 ( 0.000 -10.650 8.608) 13.693 5.002 ( 0.000 -1.378 7.624) 7.747 5.159 ( 0.000 -6.712 -7.501) 10.065 5.177 ( 0.000 -3.276 -11.755) 12.203 5.883 ( -0.000 30.047 22.050) 37.270 6.188 ( 0.000 -0.843 7.966) 8.011 6.220 ( -0.000 20.950 -10.958) 23.643 6.332 ( -0.000 1.766 -6.680) 6.909 7.119 ( 0.000 -6.104 3.722) 7.149 7.237 ( 0.000 -3.223 -6.938) 7.650 7.643 ( -0.000 6.318 12.209) 13.747 7.885 ( -0.000 1.083 -10.759) 10.813 7.892 ( -0.000 0.813 13.909) 13.933 8.161 ( -0.000 0.709 -13.765) 13.784 8.202 ( -0.000 1.444 -1.468) 2.059 8.264 ( -0.000 4.977 -7.235) 8.781 8.894 ( 0.000 -9.893 7.193) 12.232 8.998 ( 0.000 -11.337 -3.126) 11.760 9.696 ( 0.000 -1.622 11.556) 11.670 9.857 ( 0.000 -5.295 -3.905) 6.579 10.093 ( 0.000 -0.088 10.539) 10.540 10.136 ( -0.000 2.042 1.423) 2.489 10.154 ( -0.000 2.495 -0.221) 2.504 10.315 ( -0.000 3.390 -12.814) 13.254 10.750 ( 0.000 -3.605 7.548) 8.365 10.864 ( -0.000 5.482 3.657) 6.590 10.927 ( -0.000 0.254 -10.353) 10.356 10.966 ( -0.000 5.215 -6.046) 7.985 11.717 ( -0.000 1.558 8.377) 8.520 11.855 ( -0.000 0.683 -5.770) 5.810 11.961 ( 0.000 -1.755 17.565) 17.652 12.286 ( 0.000 -6.854 -15.012) 16.503 12.703 ( -0.000 2.959 21.390) 21.593 13.080 ( -0.000 2.645 -17.106) 17.309 13.150 ( 0.000 -8.773 2.359) 9.085 13.203 ( 0.000 -9.771 -2.993) 10.219 14.638 ( 0.000 -1.365 15.014) 15.075 14.825 ( 0.000 -3.955 -2.575) 4.720 15.204 ( -0.000 1.012 1.505) 1.814 15.353 ( -0.000 0.176 8.518) 8.520 15.433 ( -0.000 3.094 -18.649) 18.904 15.540 ( -0.000 1.149 -10.823) 10.884 17.922 ( 0.000 -7.862 15.611) 17.479 18.207 ( 0.000 -7.675 -13.881) 15.862 19.073 ( -0.000 2.041 26.125) 26.205 19.518 ( 0.000 -0.157 -7.612) 7.613 19.919 ( -0.000 1.652 -0.857) 1.861 20.277 ( 0.000 -1.499 -25.218) 25.263 20.692 ( -0.000 6.442 12.822) 14.350 20.937 ( -0.000 6.865 -12.304) 14.090 23.183 ( 0.000 -0.533 9.545) 9.560 23.307 ( 0.000 -0.986 -3.688) 3.818 ======================= Grid point 246 (84/84) ======================= q-point: (-0.50 0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 0.000 -0.000 5.380) 5.380 1.806 ( 0.000 -0.000 -7.056) 7.056 2.771 ( 0.000 -0.000 26.885) 26.885 3.268 ( 0.000 -0.000 -23.917) 23.917 3.426 ( -0.000 0.000 3.179) 3.179 3.474 ( 0.000 -0.000 3.585) 3.585 3.710 ( 0.000 -0.000 3.520) 3.520 3.720 ( 0.000 -0.000 8.828) 8.828 3.874 ( 0.000 -0.000 -8.720) 8.720 3.895 ( 0.000 -0.000 -8.927) 8.927 4.402 ( -0.000 0.000 2.860) 2.860 4.434 ( 0.000 -0.000 -1.007) 1.007 4.608 ( 0.000 -0.000 10.499) 10.499 4.735 ( 0.000 -0.000 -3.364) 3.364 4.838 ( 0.000 -0.000 14.087) 14.087 4.976 ( 0.000 -0.000 4.376) 4.376 5.091 ( 0.000 -0.000 -6.985) 6.985 5.142 ( -0.000 0.000 -16.484) 16.484 6.174 ( 0.000 -0.000 10.536) 10.536 6.348 ( 0.000 -0.000 -7.525) 7.525 6.419 ( -0.000 0.000 11.148) 11.148 6.494 ( 0.000 -0.000 4.178) 4.178 6.899 ( 0.000 -0.000 8.885) 8.885 7.158 ( 0.000 -0.000 -15.786) 15.786 7.749 ( -0.000 0.000 9.010) 9.010 7.867 ( 0.000 -0.000 -2.526) 2.526 7.900 ( 0.000 -0.000 13.809) 13.809 8.168 ( 0.000 -0.000 -13.690) 13.690 8.241 ( 0.000 -0.000 -0.478) 0.478 8.350 ( 0.000 -0.000 -9.938) 9.938 8.754 ( 0.000 -0.000 4.909) 4.909 8.832 ( 0.000 -0.000 -2.675) 2.675 9.707 ( 0.000 -0.000 5.978) 5.978 9.771 ( 0.000 -0.000 -0.921) 0.921 10.090 ( 0.000 -0.000 13.513) 13.513 10.162 ( 0.000 -0.000 1.828) 1.828 10.193 ( 0.000 -0.000 -1.437) 1.437 10.359 ( 0.000 -0.000 -14.498) 14.498 10.700 ( 0.000 -0.000 10.485) 10.485 10.929 ( 0.000 -0.000 -12.758) 12.758 10.938 ( 0.000 -0.000 4.609) 4.609 11.018 ( 0.000 -0.000 -3.463) 3.463 11.739 ( 0.000 -0.000 7.999) 7.999 11.862 ( 0.000 -0.000 -4.545) 4.545 11.955 ( 0.000 -0.000 11.976) 11.976 12.178 ( 0.000 -0.000 -10.186) 10.186 12.752 ( 0.000 -0.000 20.447) 20.447 13.047 ( 0.000 -0.000 0.744) 0.744 13.075 ( 0.000 -0.000 -1.979) 1.979 13.118 ( 0.000 -0.000 -16.667) 16.667 14.619 ( 0.000 -0.000 12.545) 12.545 14.770 ( 0.000 -0.000 -4.393) 4.393 15.216 ( 0.000 -0.000 5.222) 5.222 15.350 ( 0.000 -0.000 8.982) 8.982 15.475 ( 0.000 -0.000 -19.436) 19.436 15.549 ( 0.000 -0.000 -11.645) 11.645 17.831 ( 0.000 -0.000 15.911) 15.911 18.117 ( 0.000 -0.000 -13.780) 13.780 19.102 ( 0.000 -0.000 25.985) 25.985 19.512 ( 0.000 -0.000 -2.441) 2.441 19.942 ( 0.000 -0.000 -6.609) 6.609 20.256 ( 0.000 -0.000 -24.772) 24.772 20.770 ( 0.000 -0.000 13.078) 13.078 21.019 ( 0.000 -0.000 -12.562) 12.562 23.177 ( 0.000 -0.000 9.261) 9.261 23.295 ( 0.000 -0.000 -3.290) 3.290 =================== 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 3/29568 10.0 1481.468 1362.711 2597.375 0.000 0.000 -0.000 3/29568 20.0 126.273 185.856 209.965 0.000 0.000 -0.000 3/29568 30.0 39.359 65.395 69.518 0.000 0.000 -0.000 3/29568 40.0 20.547 34.331 36.340 0.000 0.000 -0.000 3/29568 50.0 13.430 22.058 23.387 0.000 0.000 -0.000 3/29568 60.0 9.892 15.927 16.929 0.000 0.000 -0.000 3/29568 70.0 7.834 12.371 13.193 0.000 0.000 -0.000 3/29568 80.0 6.505 10.089 10.805 0.000 0.000 -0.000 3/29568 90.0 5.583 8.515 9.163 0.000 0.000 -0.000 3/29568 100.0 4.908 7.370 7.972 0.000 0.000 -0.000 3/29568 110.0 4.391 6.502 7.071 0.000 0.000 -0.000 3/29568 120.0 3.983 5.823 6.368 0.000 0.000 -0.000 3/29568 130.0 3.652 5.278 5.805 0.000 0.000 -0.000 3/29568 140.0 3.377 4.831 5.343 0.000 0.000 -0.000 3/29568 150.0 3.145 4.457 4.959 0.000 0.000 -0.000 3/29568 160.0 2.946 4.140 4.633 0.000 0.000 -0.000 3/29568 170.0 2.772 3.868 4.353 0.000 0.000 -0.000 3/29568 180.0 2.620 3.631 4.109 0.000 0.000 -0.000 3/29568 190.0 2.485 3.424 3.896 0.000 0.000 -0.000 3/29568 200.0 2.364 3.240 3.707 0.000 0.000 -0.000 3/29568 210.0 2.255 3.076 3.538 0.000 0.000 -0.000 3/29568 220.0 2.156 2.929 3.385 0.000 0.000 -0.000 3/29568 230.0 2.066 2.796 3.247 0.000 0.000 -0.000 3/29568 240.0 1.983 2.675 3.121 0.000 0.000 -0.000 3/29568 250.0 1.907 2.565 3.006 0.000 0.000 -0.000 3/29568 260.0 1.837 2.464 2.900 0.000 0.000 -0.000 3/29568 270.0 1.772 2.371 2.802 0.000 0.000 -0.000 3/29568 280.0 1.711 2.285 2.710 0.000 0.000 -0.000 3/29568 290.0 1.654 2.205 2.625 0.000 0.000 -0.000 3/29568 300.0 1.602 2.131 2.546 0.000 0.000 -0.000 3/29568 310.0 1.552 2.061 2.471 0.000 0.000 -0.000 3/29568 320.0 1.506 1.996 2.401 0.000 0.000 -0.000 3/29568 330.0 1.462 1.936 2.335 0.000 0.000 -0.000 3/29568 340.0 1.421 1.879 2.273 0.000 0.000 -0.000 3/29568 350.0 1.382 1.825 2.214 0.000 0.000 -0.000 3/29568 360.0 1.345 1.774 2.158 0.000 0.000 -0.000 3/29568 370.0 1.310 1.726 2.105 0.000 0.000 -0.000 3/29568 380.0 1.276 1.681 2.054 0.000 0.000 -0.000 3/29568 390.0 1.245 1.638 2.006 0.000 0.000 -0.000 3/29568 400.0 1.215 1.597 1.960 0.000 0.000 -0.000 3/29568 410.0 1.186 1.559 1.916 0.000 0.000 -0.000 3/29568 420.0 1.159 1.522 1.874 0.000 0.000 -0.000 3/29568 430.0 1.133 1.486 1.834 0.000 0.000 -0.000 3/29568 440.0 1.108 1.453 1.796 0.000 0.000 -0.000 3/29568 450.0 1.084 1.421 1.759 0.000 0.000 -0.000 3/29568 460.0 1.061 1.390 1.724 0.000 0.000 -0.000 3/29568 470.0 1.039 1.361 1.690 0.000 0.000 -0.000 3/29568 480.0 1.018 1.332 1.657 0.000 0.000 -0.000 3/29568 490.0 0.998 1.305 1.625 0.000 0.000 -0.000 3/29568 500.0 0.978 1.280 1.595 0.000 0.000 -0.000 3/29568 510.0 0.960 1.255 1.566 0.000 0.000 -0.000 3/29568 520.0 0.942 1.231 1.538 0.000 0.000 -0.000 3/29568 530.0 0.924 1.208 1.511 0.000 0.000 -0.000 3/29568 540.0 0.908 1.185 1.484 0.000 0.000 -0.000 3/29568 550.0 0.892 1.164 1.459 0.000 0.000 -0.000 3/29568 560.0 0.876 1.143 1.434 0.000 0.000 -0.000 3/29568 570.0 0.861 1.123 1.411 0.000 0.000 -0.000 3/29568 580.0 0.846 1.104 1.388 0.000 0.000 -0.000 3/29568 590.0 0.832 1.086 1.366 0.000 0.000 -0.000 3/29568 600.0 0.819 1.068 1.344 0.000 0.000 -0.000 3/29568 610.0 0.806 1.050 1.323 0.000 0.000 -0.000 3/29568 620.0 0.793 1.033 1.303 0.000 0.000 -0.000 3/29568 630.0 0.781 1.017 1.283 0.000 0.000 -0.000 3/29568 640.0 0.769 1.001 1.264 0.000 0.000 -0.000 3/29568 650.0 0.757 0.986 1.246 0.000 0.000 -0.000 3/29568 660.0 0.746 0.971 1.228 0.000 0.000 -0.000 3/29568 670.0 0.735 0.957 1.210 0.000 0.000 -0.000 3/29568 680.0 0.724 0.943 1.193 0.000 0.000 -0.000 3/29568 690.0 0.714 0.929 1.177 0.000 0.000 -0.000 3/29568 700.0 0.704 0.916 1.160 0.000 0.000 -0.000 3/29568 710.0 0.694 0.903 1.145 0.000 0.000 -0.000 3/29568 720.0 0.684 0.891 1.130 0.000 0.000 -0.000 3/29568 730.0 0.675 0.878 1.115 0.000 0.000 -0.000 3/29568 740.0 0.666 0.867 1.100 0.000 0.000 -0.000 3/29568 750.0 0.657 0.855 1.086 0.000 0.000 -0.000 3/29568 760.0 0.649 0.844 1.072 0.000 0.000 -0.000 3/29568 770.0 0.641 0.833 1.059 0.000 0.000 -0.000 3/29568 780.0 0.632 0.822 1.046 0.000 0.000 -0.000 3/29568 790.0 0.625 0.812 1.033 0.000 0.000 -0.000 3/29568 800.0 0.617 0.802 1.021 0.000 0.000 -0.000 3/29568 810.0 0.609 0.792 1.008 0.000 0.000 -0.000 3/29568 820.0 0.602 0.782 0.996 0.000 0.000 -0.000 3/29568 830.0 0.595 0.773 0.985 0.000 0.000 -0.000 3/29568 840.0 0.588 0.764 0.974 0.000 0.000 -0.000 3/29568 850.0 0.581 0.755 0.962 0.000 0.000 -0.000 3/29568 860.0 0.574 0.746 0.952 0.000 0.000 -0.000 3/29568 870.0 0.568 0.738 0.941 0.000 0.000 -0.000 3/29568 880.0 0.561 0.729 0.931 0.000 0.000 -0.000 3/29568 890.0 0.555 0.721 0.920 0.000 0.000 -0.000 3/29568 900.0 0.549 0.713 0.910 0.000 0.000 -0.000 3/29568 910.0 0.543 0.705 0.901 0.000 0.000 -0.000 3/29568 920.0 0.537 0.698 0.891 0.000 0.000 -0.000 3/29568 930.0 0.532 0.690 0.882 0.000 0.000 -0.000 3/29568 940.0 0.526 0.683 0.873 0.000 0.000 -0.000 3/29568 950.0 0.520 0.676 0.864 0.000 0.000 -0.000 3/29568 960.0 0.515 0.669 0.855 0.000 0.000 -0.000 3/29568 970.0 0.510 0.662 0.846 0.000 0.000 -0.000 3/29568 980.0 0.505 0.655 0.838 0.000 0.000 -0.000 3/29568 990.0 0.500 0.649 0.830 0.000 0.000 -0.000 3/29568 1000.0 0.495 0.642 0.822 0.000 0.000 -0.000 3/29568 Thermal conductivity related properties were written into "kappa-m887.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:49:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|