----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 02:02:34]------------------------- Compiled with OpenMP support (max 32 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: [4 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: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.078535300000000 -7.297255504999999 0.000000000000000 b 2.078535300000000 7.297255504999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.424563509999999 Atomic positions (fractional): *1 Cu 0.16562662057629 0.83437337942371 0.75000000000000 63.546 2 Cu 0.83437337942371 0.16562662057629 0.25000000000000 63.546 *3 Se 0.42243308770102 0.57756691229898 0.25000000000000 78.960 4 Se 0.57756691229898 0.42243308770102 0.75000000000000 78.960 *5 Se 0.74074236577521 0.25925763422479 0.10965880581023 78.960 6 Se 0.25925763422479 0.74074236577521 0.89034119418977 78.960 *7 Se 0.00000000000000 0.00000000000000 0.50000000000000 78.960 8 Se 0.00000000000000 0.00000000000000 0.00000000000000 78.960 9 Se 0.74074236577521 0.25925763422479 0.39034119418977 78.960 10 Se 0.25925763422479 0.74074236577521 0.60965880581023 78.960 *11 Cs 0.89320739661253 0.10679260338747 0.75000000000000 132.905 12 Cs 0.10679260338747 0.89320739661253 0.25000000000000 132.905 *13 Sm 0.36624437295319 0.63375562704681 0.06136384514616 150.360 14 Sm 0.63375562704681 0.36624437295319 0.93863615485384 150.360 15 Sm 0.36624437295319 0.63375562704681 0.43863615485384 150.360 16 Sm 0.63375562704681 0.36624437295319 0.56136384514616 150.360 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.157070599999999 0.000000000000000 0.000000000000000 b 0.000000000000000 14.594511009999998 0.000000000000000 c 0.000000000000000 0.000000000000000 14.424563509999999 Atomic positions (fractional): *1 Cu 0.50000000000000 0.33437337942371 0.75000000000000 63.546 > 1 2 Cu 0.00000000000000 0.16562662057629 0.25000000000000 63.546 > 2 3 Cu 0.00000000000000 0.83437337942371 0.75000000000000 63.546 > 1 4 Cu 0.50000000000000 0.66562662057629 0.25000000000000 63.546 > 2 *5 Se 0.50000000000000 0.07756691229898 0.25000000000000 78.960 > 3 6 Se 0.00000000000000 0.42243308770102 0.75000000000000 78.960 > 4 *7 Se 0.00000000000000 0.25925763422479 0.10965880581023 78.960 > 5 8 Se 0.50000000000000 0.24074236577521 0.89034119418977 78.960 > 6 *9 Se 0.00000000000000 0.00000000000000 0.50000000000000 78.960 > 7 10 Se 0.00000000000000 0.00000000000000 0.00000000000000 78.960 > 8 11 Se 0.00000000000000 0.25925763422479 0.39034119418977 78.960 > 9 12 Se 0.50000000000000 0.24074236577521 0.60965880581023 78.960 > 10 13 Se 0.00000000000000 0.57756691229898 0.25000000000000 78.960 > 3 14 Se 0.50000000000000 0.92243308770102 0.75000000000000 78.960 > 4 15 Se 0.50000000000000 0.75925763422479 0.10965880581023 78.960 > 5 16 Se 0.00000000000000 0.74074236577521 0.89034119418977 78.960 > 6 17 Se 0.50000000000000 0.50000000000000 0.50000000000000 78.960 > 7 18 Se 0.50000000000000 0.50000000000000 0.00000000000000 78.960 > 8 19 Se 0.50000000000000 0.75925763422479 0.39034119418977 78.960 > 9 20 Se 0.00000000000000 0.74074236577521 0.60965880581023 78.960 > 10 *21 Cs 0.00000000000000 0.10679260338747 0.75000000000000 132.905 > 11 22 Cs 0.50000000000000 0.39320739661253 0.25000000000000 132.905 > 12 23 Cs 0.50000000000000 0.60679260338747 0.75000000000000 132.905 > 11 24 Cs 0.00000000000000 0.89320739661253 0.25000000000000 132.905 > 12 *25 Sm 0.50000000000000 0.13375562704682 0.06136384514616 150.360 > 13 26 Sm 0.00000000000000 0.36624437295319 0.93863615485384 150.360 > 14 27 Sm 0.50000000000000 0.13375562704682 0.43863615485384 150.360 > 15 28 Sm 0.00000000000000 0.36624437295319 0.56136384514616 150.360 > 16 29 Sm 0.00000000000000 0.63375562704681 0.06136384514616 150.360 > 13 30 Sm 0.50000000000000 0.86624437295319 0.93863615485384 150.360 > 14 31 Sm 0.00000000000000 0.63375562704681 0.43863615485384 150.360 > 15 32 Sm 0.50000000000000 0.86624437295319 0.56136384514616 150.360 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.628282399999996 0.000000000000000 0.000000000000000 b 0.000000000000000 14.594511009999998 0.000000000000000 c 0.000000000000000 0.000000000000000 14.424563509999999 Atomic positions (fractional): *1 Cu 0.12500000000000 0.33437337942371 0.75000000000000 63.546 > 1 2 Cu 0.37500000000000 0.33437337942371 0.75000000000000 63.546 > 1 3 Cu 0.62500000000000 0.33437337942371 0.75000000000000 63.546 > 1 4 Cu 0.87500000000000 0.33437337942371 0.75000000000000 63.546 > 1 5 Cu 0.00000000000000 0.16562662057629 0.25000000000000 63.546 > 2 6 Cu 0.25000000000000 0.16562662057629 0.25000000000000 63.546 > 2 7 Cu 0.50000000000000 0.16562662057629 0.25000000000000 63.546 > 2 8 Cu 0.75000000000000 0.16562662057629 0.25000000000000 63.546 > 2 9 Cu 0.00000000000000 0.83437337942371 0.75000000000000 63.546 > 1 10 Cu 0.25000000000000 0.83437337942371 0.75000000000000 63.546 > 1 11 Cu 0.50000000000000 0.83437337942371 0.75000000000000 63.546 > 1 12 Cu 0.75000000000000 0.83437337942371 0.75000000000000 63.546 > 1 13 Cu 0.12500000000000 0.66562662057629 0.25000000000000 63.546 > 2 14 Cu 0.37500000000000 0.66562662057629 0.25000000000000 63.546 > 2 15 Cu 0.62500000000000 0.66562662057629 0.25000000000000 63.546 > 2 16 Cu 0.87500000000000 0.66562662057629 0.25000000000000 63.546 > 2 *17 Se 0.12500000000000 0.07756691229898 0.25000000000000 78.960 > 3 18 Se 0.37500000000000 0.07756691229898 0.25000000000000 78.960 > 3 19 Se 0.62500000000000 0.07756691229898 0.25000000000000 78.960 > 3 20 Se 0.87500000000000 0.07756691229898 0.25000000000000 78.960 > 3 21 Se 0.00000000000000 0.42243308770102 0.75000000000000 78.960 > 4 22 Se 0.25000000000000 0.42243308770102 0.75000000000000 78.960 > 4 23 Se 0.50000000000000 0.42243308770102 0.75000000000000 78.960 > 4 24 Se 0.75000000000000 0.42243308770102 0.75000000000000 78.960 > 4 *25 Se 0.00000000000000 0.25925763422479 0.10965880581023 78.960 > 5 26 Se 0.25000000000000 0.25925763422479 0.10965880581023 78.960 > 5 27 Se 0.50000000000000 0.25925763422479 0.10965880581023 78.960 > 5 28 Se 0.75000000000000 0.25925763422479 0.10965880581023 78.960 > 5 29 Se 0.12500000000000 0.24074236577521 0.89034119418977 78.960 > 6 30 Se 0.37500000000000 0.24074236577521 0.89034119418977 78.960 > 6 31 Se 0.62500000000000 0.24074236577521 0.89034119418977 78.960 > 6 32 Se 0.87500000000000 0.24074236577521 0.89034119418977 78.960 > 6 *33 Se 0.00000000000000 0.00000000000000 0.50000000000000 78.960 > 7 34 Se 0.25000000000000 0.00000000000000 0.50000000000000 78.960 > 7 35 Se 0.50000000000000 0.00000000000000 0.50000000000000 78.960 > 7 36 Se 0.75000000000000 0.00000000000000 0.50000000000000 78.960 > 7 37 Se 0.00000000000000 0.00000000000000 0.00000000000000 78.960 > 8 38 Se 0.25000000000000 0.00000000000000 0.00000000000000 78.960 > 8 39 Se 0.50000000000000 0.00000000000000 0.00000000000000 78.960 > 8 40 Se 0.75000000000000 0.00000000000000 0.00000000000000 78.960 > 8 41 Se 0.00000000000000 0.25925763422479 0.39034119418977 78.960 > 9 42 Se 0.25000000000000 0.25925763422479 0.39034119418977 78.960 > 9 43 Se 0.50000000000000 0.25925763422479 0.39034119418977 78.960 > 9 44 Se 0.75000000000000 0.25925763422479 0.39034119418977 78.960 > 9 45 Se 0.12500000000000 0.24074236577521 0.60965880581023 78.960 > 10 46 Se 0.37500000000000 0.24074236577521 0.60965880581023 78.960 > 10 47 Se 0.62500000000000 0.24074236577521 0.60965880581023 78.960 > 10 48 Se 0.87500000000000 0.24074236577521 0.60965880581023 78.960 > 10 49 Se 0.00000000000000 0.57756691229898 0.25000000000000 78.960 > 3 50 Se 0.25000000000000 0.57756691229898 0.25000000000000 78.960 > 3 51 Se 0.50000000000000 0.57756691229898 0.25000000000000 78.960 > 3 52 Se 0.75000000000000 0.57756691229898 0.25000000000000 78.960 > 3 53 Se 0.12500000000000 0.92243308770102 0.75000000000000 78.960 > 4 54 Se 0.37500000000000 0.92243308770102 0.75000000000000 78.960 > 4 55 Se 0.62500000000000 0.92243308770102 0.75000000000000 78.960 > 4 56 Se 0.87500000000000 0.92243308770102 0.75000000000000 78.960 > 4 57 Se 0.12500000000000 0.75925763422479 0.10965880581023 78.960 > 5 58 Se 0.37500000000000 0.75925763422479 0.10965880581023 78.960 > 5 59 Se 0.62500000000000 0.75925763422479 0.10965880581023 78.960 > 5 60 Se 0.87500000000000 0.75925763422479 0.10965880581023 78.960 > 5 61 Se 0.00000000000000 0.74074236577521 0.89034119418977 78.960 > 6 62 Se 0.25000000000000 0.74074236577521 0.89034119418977 78.960 > 6 63 Se 0.50000000000000 0.74074236577521 0.89034119418977 78.960 > 6 64 Se 0.75000000000000 0.74074236577521 0.89034119418977 78.960 > 6 65 Se 0.12500000000000 0.50000000000000 0.50000000000000 78.960 > 7 66 Se 0.37500000000000 0.50000000000000 0.50000000000000 78.960 > 7 67 Se 0.62500000000000 0.50000000000000 0.50000000000000 78.960 > 7 68 Se 0.87500000000000 0.50000000000000 0.50000000000000 78.960 > 7 69 Se 0.12500000000000 0.50000000000000 0.00000000000000 78.960 > 8 70 Se 0.37500000000000 0.50000000000000 0.00000000000000 78.960 > 8 71 Se 0.62500000000000 0.50000000000000 0.00000000000000 78.960 > 8 72 Se 0.87500000000000 0.50000000000000 0.00000000000000 78.960 > 8 73 Se 0.12500000000000 0.75925763422479 0.39034119418977 78.960 > 9 74 Se 0.37500000000000 0.75925763422479 0.39034119418977 78.960 > 9 75 Se 0.62500000000000 0.75925763422479 0.39034119418977 78.960 > 9 76 Se 0.87500000000000 0.75925763422479 0.39034119418977 78.960 > 9 77 Se 0.00000000000000 0.74074236577521 0.60965880581023 78.960 > 10 78 Se 0.25000000000000 0.74074236577521 0.60965880581023 78.960 > 10 79 Se 0.50000000000000 0.74074236577521 0.60965880581023 78.960 > 10 80 Se 0.75000000000000 0.74074236577521 0.60965880581023 78.960 > 10 *81 Cs 0.00000000000000 0.10679260338747 0.75000000000000 132.905 > 11 82 Cs 0.25000000000000 0.10679260338747 0.75000000000000 132.905 > 11 83 Cs 0.50000000000000 0.10679260338747 0.75000000000000 132.905 > 11 84 Cs 0.75000000000000 0.10679260338747 0.75000000000000 132.905 > 11 85 Cs 0.12500000000000 0.39320739661253 0.25000000000000 132.905 > 12 86 Cs 0.37500000000000 0.39320739661253 0.25000000000000 132.905 > 12 87 Cs 0.62500000000000 0.39320739661253 0.25000000000000 132.905 > 12 88 Cs 0.87500000000000 0.39320739661253 0.25000000000000 132.905 > 12 89 Cs 0.12500000000000 0.60679260338747 0.75000000000000 132.905 > 11 90 Cs 0.37500000000000 0.60679260338747 0.75000000000000 132.905 > 11 91 Cs 0.62500000000000 0.60679260338747 0.75000000000000 132.905 > 11 92 Cs 0.87500000000000 0.60679260338747 0.75000000000000 132.905 > 11 93 Cs 0.00000000000000 0.89320739661253 0.25000000000000 132.905 > 12 94 Cs 0.25000000000000 0.89320739661253 0.25000000000000 132.905 > 12 95 Cs 0.50000000000000 0.89320739661253 0.25000000000000 132.905 > 12 96 Cs 0.75000000000000 0.89320739661253 0.25000000000000 132.905 > 12 *97 Sm 0.12500000000000 0.13375562704682 0.06136384514616 150.360 > 13 98 Sm 0.37500000000000 0.13375562704682 0.06136384514616 150.360 > 13 99 Sm 0.62500000000000 0.13375562704682 0.06136384514616 150.360 > 13 100 Sm 0.87500000000000 0.13375562704682 0.06136384514616 150.360 > 13 101 Sm 0.00000000000000 0.36624437295319 0.93863615485384 150.360 > 14 102 Sm 0.25000000000000 0.36624437295319 0.93863615485384 150.360 > 14 103 Sm 0.50000000000000 0.36624437295319 0.93863615485384 150.360 > 14 104 Sm 0.75000000000000 0.36624437295319 0.93863615485384 150.360 > 14 105 Sm 0.12500000000000 0.13375562704682 0.43863615485384 150.360 > 15 106 Sm 0.37500000000000 0.13375562704682 0.43863615485384 150.360 > 15 107 Sm 0.62500000000000 0.13375562704682 0.43863615485384 150.360 > 15 108 Sm 0.87500000000000 0.13375562704682 0.43863615485384 150.360 > 15 109 Sm 0.00000000000000 0.36624437295319 0.56136384514616 150.360 > 16 110 Sm 0.25000000000000 0.36624437295319 0.56136384514616 150.360 > 16 111 Sm 0.50000000000000 0.36624437295319 0.56136384514616 150.360 > 16 112 Sm 0.75000000000000 0.36624437295319 0.56136384514616 150.360 > 16 113 Sm 0.00000000000000 0.63375562704681 0.06136384514616 150.360 > 13 114 Sm 0.25000000000000 0.63375562704681 0.06136384514616 150.360 > 13 115 Sm 0.50000000000000 0.63375562704681 0.06136384514616 150.360 > 13 116 Sm 0.75000000000000 0.63375562704681 0.06136384514616 150.360 > 13 117 Sm 0.12500000000000 0.86624437295319 0.93863615485384 150.360 > 14 118 Sm 0.37500000000000 0.86624437295319 0.93863615485384 150.360 > 14 119 Sm 0.62500000000000 0.86624437295319 0.93863615485384 150.360 > 14 120 Sm 0.87500000000000 0.86624437295319 0.93863615485384 150.360 > 14 121 Sm 0.00000000000000 0.63375562704681 0.43863615485384 150.360 > 15 122 Sm 0.25000000000000 0.63375562704681 0.43863615485384 150.360 > 15 123 Sm 0.50000000000000 0.63375562704681 0.43863615485384 150.360 > 15 124 Sm 0.75000000000000 0.63375562704681 0.43863615485384 150.360 > 15 125 Sm 0.12500000000000 0.86624437295319 0.56136384514616 150.360 > 16 126 Sm 0.37500000000000 0.86624437295319 0.56136384514616 150.360 > 16 127 Sm 0.62500000000000 0.86624437295319 0.56136384514616 150.360 > 16 128 Sm 0.87500000000000 0.86624437295319 0.56136384514616 150.360 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.9066772 0.0000000 0.0000000 0.0000000 7.0170782 0.0000000 0.0000000 0.0000000 9.0164757 -------------------------- Born effective charges -------------------------- 1 Cu 0.6546108 0.0000000 0.0000000 0.0000000 0.3634844 0.0000000 0.0000000 0.0000000 0.5281318 2 Cu 0.6546108 0.0000000 0.0000000 0.0000000 0.3634844 0.0000000 0.0000000 0.0000000 0.5281318 3 Se -1.6820518 0.0000000 0.0000000 0.0000000 -1.3967115 0.0000000 0.0000000 0.0000000 -3.7344927 4 Se -1.6820518 0.0000000 0.0000000 0.0000000 -1.3967115 0.0000000 0.0000000 0.0000000 -3.7344927 5 Se -2.7786552 0.0000000 0.0000000 0.0000000 -2.3204686 0.4219717 0.0000000 0.7639133 -2.9156290 6 Se -2.7786552 0.0000000 0.0000000 0.0000000 -2.3204686 0.4219717 0.0000000 0.7639133 -2.9156290 7 Se -4.3278461 0.0000000 0.0000000 0.0000000 -3.2633901 0.9743754 0.0000000 0.8524856 -1.5653851 8 Se -4.3278461 0.0000000 0.0000000 0.0000000 -3.2633901 -0.9743754 0.0000000 -0.8524856 -1.5653851 9 Se -2.7786552 0.0000000 0.0000000 0.0000000 -2.3204686 -0.4219717 0.0000000 -0.7639133 -2.9156290 10 Se -2.7786552 0.0000000 0.0000000 0.0000000 -2.3204686 -0.4219717 0.0000000 -0.7639133 -2.9156290 11 Cs 1.1485782 0.0000000 0.0000000 0.0000000 1.7314172 0.0000000 0.0000000 0.0000000 1.2517428 12 Cs 1.1485782 0.0000000 0.0000000 0.0000000 1.7314172 0.0000000 0.0000000 0.0000000 1.2517428 13 Sm 4.8820096 0.0000000 0.0000000 0.0000000 3.6030686 -0.0456843 0.0000000 -0.3638595 4.6756307 14 Sm 4.8820096 0.0000000 0.0000000 0.0000000 3.6030686 -0.0456843 0.0000000 -0.3638595 4.6756307 15 Sm 4.8820096 0.0000000 0.0000000 0.0000000 3.6030686 0.0456843 0.0000000 0.3638595 4.6756307 16 Sm 4.8820096 0.0000000 0.0000000 0.0000000 3.6030686 0.0456843 0.0000000 0.3638595 4.6756307 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 10992/10992 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1333 Number of blocks in projector: 1333 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: 280 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 225 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 225 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 225 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 216 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 162 Use standard eigh solver. Tree of FC basis block matrices: - (1333, 1309), data: False |-- (162, 162), data: True |-- (216, 216), data: True |-- (225, 219), data: True |-- (225, 219), data: True |-- (225, 219), data: True |-- (280, 274), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 240 - Time: 0.355 Solver_block: 200 / 240 - Time: 0.347 Solver_block: 240 / 240 - Time: 0.168 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.893 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 384/384 Permutation basis: 10992/10992 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1333 Number of blocks in projector: 1333 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: 280 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 225 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 225 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 225 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 216 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 162 Use standard eigh solver. Tree of FC basis block matrices: - (1333, 1309), data: False |-- (162, 162), data: True |-- (216, 216), data: True |-- (225, 219), data: True |-- (225, 219), data: True |-- (225, 219), data: True |-- (280, 274), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 02:02:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:02:48]------------------------- Compiled with OpenMP support (max 32 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): [4 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 2.078535300000000 -7.297255504999999 0.000000000000000 b 2.078535300000000 7.297255504999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.424563509999999 Atomic positions (fractional): 1 Cu 0.16562662057629 0.83437337942371 0.75000000000000 63.546 2 Cu 0.83437337942371 0.16562662057629 0.25000000000000 63.546 3 Se 0.42243308770102 0.57756691229898 0.25000000000000 78.960 4 Se 0.57756691229898 0.42243308770102 0.75000000000000 78.960 5 Se 0.74074236577521 0.25925763422479 0.10965880581023 78.960 6 Se 0.25925763422479 0.74074236577521 0.89034119418977 78.960 7 Se 0.00000000000000 0.00000000000000 0.50000000000000 78.960 8 Se 0.00000000000000 0.00000000000000 0.00000000000000 78.960 9 Se 0.74074236577521 0.25925763422479 0.39034119418977 78.960 10 Se 0.25925763422479 0.74074236577521 0.60965880581023 78.960 11 Cs 0.89320739661253 0.10679260338747 0.75000000000000 132.905 12 Cs 0.10679260338747 0.89320739661253 0.25000000000000 132.905 13 Sm 0.36624437295319 0.63375562704681 0.06136384514616 150.360 14 Sm 0.63375562704681 0.36624437295319 0.93863615485384 150.360 15 Sm 0.36624437295319 0.63375562704681 0.43863615485384 150.360 16 Sm 0.63375562704681 0.36624437295319 0.56136384514616 150.360 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.628282399999996 0.000000000000000 0.000000000000000 b 0.000000000000000 14.594511009999998 0.000000000000000 c 0.000000000000000 0.000000000000000 14.424563509999999 Atomic positions (fractional): 1 Cu 0.12500000000000 0.33437337942371 0.75000000000000 63.546 > 1 2 Cu 0.37500000000000 0.33437337942371 0.75000000000000 63.546 > 1 3 Cu 0.62500000000000 0.33437337942371 0.75000000000000 63.546 > 1 4 Cu 0.87500000000000 0.33437337942371 0.75000000000000 63.546 > 1 5 Cu 0.00000000000000 0.16562662057629 0.25000000000000 63.546 > 5 6 Cu 0.25000000000000 0.16562662057629 0.25000000000000 63.546 > 5 7 Cu 0.50000000000000 0.16562662057629 0.25000000000000 63.546 > 5 8 Cu 0.75000000000000 0.16562662057629 0.25000000000000 63.546 > 5 9 Cu 0.00000000000000 0.83437337942371 0.75000000000000 63.546 > 1 10 Cu 0.25000000000000 0.83437337942371 0.75000000000000 63.546 > 1 11 Cu 0.50000000000000 0.83437337942371 0.75000000000000 63.546 > 1 12 Cu 0.75000000000000 0.83437337942371 0.75000000000000 63.546 > 1 13 Cu 0.12500000000000 0.66562662057629 0.25000000000000 63.546 > 5 14 Cu 0.37500000000000 0.66562662057629 0.25000000000000 63.546 > 5 15 Cu 0.62500000000000 0.66562662057629 0.25000000000000 63.546 > 5 16 Cu 0.87500000000000 0.66562662057629 0.25000000000000 63.546 > 5 17 Se 0.12500000000000 0.07756691229898 0.25000000000000 78.960 > 17 18 Se 0.37500000000000 0.07756691229898 0.25000000000000 78.960 > 17 19 Se 0.62500000000000 0.07756691229898 0.25000000000000 78.960 > 17 20 Se 0.87500000000000 0.07756691229898 0.25000000000000 78.960 > 17 21 Se 0.00000000000000 0.42243308770102 0.75000000000000 78.960 > 21 22 Se 0.25000000000000 0.42243308770102 0.75000000000000 78.960 > 21 23 Se 0.50000000000000 0.42243308770102 0.75000000000000 78.960 > 21 24 Se 0.75000000000000 0.42243308770102 0.75000000000000 78.960 > 21 25 Se 0.00000000000000 0.25925763422479 0.10965880581023 78.960 > 25 26 Se 0.25000000000000 0.25925763422479 0.10965880581023 78.960 > 25 27 Se 0.50000000000000 0.25925763422479 0.10965880581023 78.960 > 25 28 Se 0.75000000000000 0.25925763422479 0.10965880581023 78.960 > 25 29 Se 0.12500000000000 0.24074236577521 0.89034119418977 78.960 > 29 30 Se 0.37500000000000 0.24074236577521 0.89034119418977 78.960 > 29 31 Se 0.62500000000000 0.24074236577521 0.89034119418977 78.960 > 29 32 Se 0.87500000000000 0.24074236577521 0.89034119418977 78.960 > 29 33 Se 0.00000000000000 0.00000000000000 0.50000000000000 78.960 > 33 34 Se 0.25000000000000 0.00000000000000 0.50000000000000 78.960 > 33 35 Se 0.50000000000000 0.00000000000000 0.50000000000000 78.960 > 33 36 Se 0.75000000000000 0.00000000000000 0.50000000000000 78.960 > 33 37 Se 0.00000000000000 0.00000000000000 0.00000000000000 78.960 > 37 38 Se 0.25000000000000 0.00000000000000 0.00000000000000 78.960 > 37 39 Se 0.50000000000000 0.00000000000000 0.00000000000000 78.960 > 37 40 Se 0.75000000000000 0.00000000000000 0.00000000000000 78.960 > 37 41 Se 0.00000000000000 0.25925763422479 0.39034119418977 78.960 > 41 42 Se 0.25000000000000 0.25925763422479 0.39034119418977 78.960 > 41 43 Se 0.50000000000000 0.25925763422479 0.39034119418977 78.960 > 41 44 Se 0.75000000000000 0.25925763422479 0.39034119418977 78.960 > 41 45 Se 0.12500000000000 0.24074236577521 0.60965880581023 78.960 > 45 46 Se 0.37500000000000 0.24074236577521 0.60965880581023 78.960 > 45 47 Se 0.62500000000000 0.24074236577521 0.60965880581023 78.960 > 45 48 Se 0.87500000000000 0.24074236577521 0.60965880581023 78.960 > 45 49 Se 0.00000000000000 0.57756691229898 0.25000000000000 78.960 > 17 50 Se 0.25000000000000 0.57756691229898 0.25000000000000 78.960 > 17 51 Se 0.50000000000000 0.57756691229898 0.25000000000000 78.960 > 17 52 Se 0.75000000000000 0.57756691229898 0.25000000000000 78.960 > 17 53 Se 0.12500000000000 0.92243308770102 0.75000000000000 78.960 > 21 54 Se 0.37500000000000 0.92243308770102 0.75000000000000 78.960 > 21 55 Se 0.62500000000000 0.92243308770102 0.75000000000000 78.960 > 21 56 Se 0.87500000000000 0.92243308770102 0.75000000000000 78.960 > 21 57 Se 0.12500000000000 0.75925763422479 0.10965880581023 78.960 > 25 58 Se 0.37500000000000 0.75925763422479 0.10965880581023 78.960 > 25 59 Se 0.62500000000000 0.75925763422479 0.10965880581023 78.960 > 25 60 Se 0.87500000000000 0.75925763422479 0.10965880581023 78.960 > 25 61 Se 0.00000000000000 0.74074236577521 0.89034119418977 78.960 > 29 62 Se 0.25000000000000 0.74074236577521 0.89034119418977 78.960 > 29 63 Se 0.50000000000000 0.74074236577521 0.89034119418977 78.960 > 29 64 Se 0.75000000000000 0.74074236577521 0.89034119418977 78.960 > 29 65 Se 0.12500000000000 0.50000000000000 0.50000000000000 78.960 > 33 66 Se 0.37500000000000 0.50000000000000 0.50000000000000 78.960 > 33 67 Se 0.62500000000000 0.50000000000000 0.50000000000000 78.960 > 33 68 Se 0.87500000000000 0.50000000000000 0.50000000000000 78.960 > 33 69 Se 0.12500000000000 0.50000000000000 0.00000000000000 78.960 > 37 70 Se 0.37500000000000 0.50000000000000 0.00000000000000 78.960 > 37 71 Se 0.62500000000000 0.50000000000000 0.00000000000000 78.960 > 37 72 Se 0.87500000000000 0.50000000000000 0.00000000000000 78.960 > 37 73 Se 0.12500000000000 0.75925763422479 0.39034119418977 78.960 > 41 74 Se 0.37500000000000 0.75925763422479 0.39034119418977 78.960 > 41 75 Se 0.62500000000000 0.75925763422479 0.39034119418977 78.960 > 41 76 Se 0.87500000000000 0.75925763422479 0.39034119418977 78.960 > 41 77 Se 0.00000000000000 0.74074236577521 0.60965880581023 78.960 > 45 78 Se 0.25000000000000 0.74074236577521 0.60965880581023 78.960 > 45 79 Se 0.50000000000000 0.74074236577521 0.60965880581023 78.960 > 45 80 Se 0.75000000000000 0.74074236577521 0.60965880581023 78.960 > 45 81 Cs 0.00000000000000 0.10679260338747 0.75000000000000 132.905 > 81 82 Cs 0.25000000000000 0.10679260338747 0.75000000000000 132.905 > 81 83 Cs 0.50000000000000 0.10679260338747 0.75000000000000 132.905 > 81 84 Cs 0.75000000000000 0.10679260338747 0.75000000000000 132.905 > 81 85 Cs 0.12500000000000 0.39320739661253 0.25000000000000 132.905 > 85 86 Cs 0.37500000000000 0.39320739661253 0.25000000000000 132.905 > 85 87 Cs 0.62500000000000 0.39320739661253 0.25000000000000 132.905 > 85 88 Cs 0.87500000000000 0.39320739661253 0.25000000000000 132.905 > 85 89 Cs 0.12500000000000 0.60679260338747 0.75000000000000 132.905 > 81 90 Cs 0.37500000000000 0.60679260338747 0.75000000000000 132.905 > 81 91 Cs 0.62500000000000 0.60679260338747 0.75000000000000 132.905 > 81 92 Cs 0.87500000000000 0.60679260338747 0.75000000000000 132.905 > 81 93 Cs 0.00000000000000 0.89320739661253 0.25000000000000 132.905 > 85 94 Cs 0.25000000000000 0.89320739661253 0.25000000000000 132.905 > 85 95 Cs 0.50000000000000 0.89320739661253 0.25000000000000 132.905 > 85 96 Cs 0.75000000000000 0.89320739661253 0.25000000000000 132.905 > 85 97 Sm 0.12500000000000 0.13375562704682 0.06136384514616 150.360 > 97 98 Sm 0.37500000000000 0.13375562704682 0.06136384514616 150.360 > 97 99 Sm 0.62500000000000 0.13375562704682 0.06136384514616 150.360 > 97 100 Sm 0.87500000000000 0.13375562704682 0.06136384514616 150.360 > 97 101 Sm 0.00000000000000 0.36624437295319 0.93863615485384 150.360 > 101 102 Sm 0.25000000000000 0.36624437295319 0.93863615485384 150.360 > 101 103 Sm 0.50000000000000 0.36624437295319 0.93863615485384 150.360 > 101 104 Sm 0.75000000000000 0.36624437295319 0.93863615485384 150.360 > 101 105 Sm 0.12500000000000 0.13375562704682 0.43863615485384 150.360 > 105 106 Sm 0.37500000000000 0.13375562704682 0.43863615485384 150.360 > 105 107 Sm 0.62500000000000 0.13375562704682 0.43863615485384 150.360 > 105 108 Sm 0.87500000000000 0.13375562704682 0.43863615485384 150.360 > 105 109 Sm 0.00000000000000 0.36624437295319 0.56136384514616 150.360 > 109 110 Sm 0.25000000000000 0.36624437295319 0.56136384514616 150.360 > 109 111 Sm 0.50000000000000 0.36624437295319 0.56136384514616 150.360 > 109 112 Sm 0.75000000000000 0.36624437295319 0.56136384514616 150.360 > 109 113 Sm 0.00000000000000 0.63375562704681 0.06136384514616 150.360 > 97 114 Sm 0.25000000000000 0.63375562704681 0.06136384514616 150.360 > 97 115 Sm 0.50000000000000 0.63375562704681 0.06136384514616 150.360 > 97 116 Sm 0.75000000000000 0.63375562704681 0.06136384514616 150.360 > 97 117 Sm 0.12500000000000 0.86624437295319 0.93863615485384 150.360 > 101 118 Sm 0.37500000000000 0.86624437295319 0.93863615485384 150.360 > 101 119 Sm 0.62500000000000 0.86624437295319 0.93863615485384 150.360 > 101 120 Sm 0.87500000000000 0.86624437295319 0.93863615485384 150.360 > 101 121 Sm 0.00000000000000 0.63375562704681 0.43863615485384 150.360 > 105 122 Sm 0.25000000000000 0.63375562704681 0.43863615485384 150.360 > 105 123 Sm 0.50000000000000 0.63375562704681 0.43863615485384 150.360 > 105 124 Sm 0.75000000000000 0.63375562704681 0.43863615485384 150.360 > 105 125 Sm 0.12500000000000 0.86624437295319 0.56136384514616 150.360 > 109 126 Sm 0.37500000000000 0.86624437295319 0.56136384514616 150.360 > 109 127 Sm 0.62500000000000 0.86624437295319 0.56136384514616 150.360 > 109 128 Sm 0.87500000000000 0.86624437295319 0.56136384514616 150.360 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.9066772 0.0000000 0.0000000 0.0000000 7.0170782 0.0000000 0.0000000 0.0000000 9.0164757 -------------------------- Born effective charges -------------------------- 1 Cu 0.6546108 0.0000000 0.0000000 0.0000000 0.3634844 0.0000000 0.0000000 0.0000000 0.5281318 2 Cu 0.6546108 0.0000000 0.0000000 0.0000000 0.3634844 0.0000000 0.0000000 0.0000000 0.5281318 3 Se -1.6820518 0.0000000 0.0000000 0.0000000 -1.3967115 0.0000000 0.0000000 0.0000000 -3.7344927 4 Se -1.6820518 0.0000000 0.0000000 0.0000000 -1.3967115 0.0000000 0.0000000 0.0000000 -3.7344927 5 Se -2.7786552 0.0000000 0.0000000 0.0000000 -2.3204686 0.4219717 0.0000000 0.7639133 -2.9156290 6 Se -2.7786552 0.0000000 0.0000000 0.0000000 -2.3204686 0.4219717 0.0000000 0.7639133 -2.9156290 7 Se -4.3278461 0.0000000 0.0000000 0.0000000 -3.2633901 0.9743754 0.0000000 0.8524856 -1.5653851 8 Se -4.3278461 0.0000000 0.0000000 0.0000000 -3.2633901 -0.9743754 0.0000000 -0.8524856 -1.5653851 9 Se -2.7786552 0.0000000 0.0000000 0.0000000 -2.3204686 -0.4219717 0.0000000 -0.7639133 -2.9156290 10 Se -2.7786552 0.0000000 0.0000000 0.0000000 -2.3204686 -0.4219717 0.0000000 -0.7639133 -2.9156290 11 Cs 1.1485782 0.0000000 0.0000000 0.0000000 1.7314172 0.0000000 0.0000000 0.0000000 1.2517428 12 Cs 1.1485782 0.0000000 0.0000000 0.0000000 1.7314172 0.0000000 0.0000000 0.0000000 1.2517428 13 Sm 4.8820096 0.0000000 0.0000000 0.0000000 3.6030686 -0.0456843 0.0000000 -0.3638595 4.6756307 14 Sm 4.8820096 0.0000000 0.0000000 0.0000000 3.6030686 -0.0456843 0.0000000 -0.3638595 4.6756307 15 Sm 4.8820096 0.0000000 0.0000000 0.0000000 3.6030686 0.0456843 0.0000000 0.3638595 4.6756307 16 Sm 4.8820096 0.0000000 0.0000000 0.0000000 3.6030686 0.0456843 0.0000000 0.3638595 4.6756307 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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[ 81, 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[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xzz) -0.00000000 (xzz) -0.00000000 (xzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 02:03:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:03:11]------------------------- Compiled with OpenMP support (max 32 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): [4 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 2.078535300000000 -7.297255504999999 0.000000000000000 b 2.078535300000000 7.297255504999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.424563509999999 Atomic positions (fractional): 1 Cu 0.16562662057629 0.83437337942371 0.75000000000000 63.546 2 Cu 0.83437337942371 0.16562662057629 0.25000000000000 63.546 3 Se 0.42243308770102 0.57756691229898 0.25000000000000 78.960 4 Se 0.57756691229898 0.42243308770102 0.75000000000000 78.960 5 Se 0.74074236577521 0.25925763422479 0.10965880581023 78.960 6 Se 0.25925763422479 0.74074236577521 0.89034119418977 78.960 7 Se 0.00000000000000 0.00000000000000 0.50000000000000 78.960 8 Se 0.00000000000000 0.00000000000000 0.00000000000000 78.960 9 Se 0.74074236577521 0.25925763422479 0.39034119418977 78.960 10 Se 0.25925763422479 0.74074236577521 0.60965880581023 78.960 11 Cs 0.89320739661253 0.10679260338747 0.75000000000000 132.905 12 Cs 0.10679260338747 0.89320739661253 0.25000000000000 132.905 13 Sm 0.36624437295319 0.63375562704681 0.06136384514616 150.360 14 Sm 0.63375562704681 0.36624437295319 0.93863615485384 150.360 15 Sm 0.36624437295319 0.63375562704681 0.43863615485384 150.360 16 Sm 0.63375562704681 0.36624437295319 0.56136384514616 150.360 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.628282399999996 0.000000000000000 0.000000000000000 b 0.000000000000000 14.594511009999998 0.000000000000000 c 0.000000000000000 0.000000000000000 14.424563509999999 Atomic positions (fractional): 1 Cu 0.12500000000000 0.33437337942371 0.75000000000000 63.546 > 1 2 Cu 0.37500000000000 0.33437337942371 0.75000000000000 63.546 > 1 3 Cu 0.62500000000000 0.33437337942371 0.75000000000000 63.546 > 1 4 Cu 0.87500000000000 0.33437337942371 0.75000000000000 63.546 > 1 5 Cu 0.00000000000000 0.16562662057629 0.25000000000000 63.546 > 5 6 Cu 0.25000000000000 0.16562662057629 0.25000000000000 63.546 > 5 7 Cu 0.50000000000000 0.16562662057629 0.25000000000000 63.546 > 5 8 Cu 0.75000000000000 0.16562662057629 0.25000000000000 63.546 > 5 9 Cu 0.00000000000000 0.83437337942371 0.75000000000000 63.546 > 1 10 Cu 0.25000000000000 0.83437337942371 0.75000000000000 63.546 > 1 11 Cu 0.50000000000000 0.83437337942371 0.75000000000000 63.546 > 1 12 Cu 0.75000000000000 0.83437337942371 0.75000000000000 63.546 > 1 13 Cu 0.12500000000000 0.66562662057629 0.25000000000000 63.546 > 5 14 Cu 0.37500000000000 0.66562662057629 0.25000000000000 63.546 > 5 15 Cu 0.62500000000000 0.66562662057629 0.25000000000000 63.546 > 5 16 Cu 0.87500000000000 0.66562662057629 0.25000000000000 63.546 > 5 17 Se 0.12500000000000 0.07756691229898 0.25000000000000 78.960 > 17 18 Se 0.37500000000000 0.07756691229898 0.25000000000000 78.960 > 17 19 Se 0.62500000000000 0.07756691229898 0.25000000000000 78.960 > 17 20 Se 0.87500000000000 0.07756691229898 0.25000000000000 78.960 > 17 21 Se 0.00000000000000 0.42243308770102 0.75000000000000 78.960 > 21 22 Se 0.25000000000000 0.42243308770102 0.75000000000000 78.960 > 21 23 Se 0.50000000000000 0.42243308770102 0.75000000000000 78.960 > 21 24 Se 0.75000000000000 0.42243308770102 0.75000000000000 78.960 > 21 25 Se 0.00000000000000 0.25925763422479 0.10965880581023 78.960 > 25 26 Se 0.25000000000000 0.25925763422479 0.10965880581023 78.960 > 25 27 Se 0.50000000000000 0.25925763422479 0.10965880581023 78.960 > 25 28 Se 0.75000000000000 0.25925763422479 0.10965880581023 78.960 > 25 29 Se 0.12500000000000 0.24074236577521 0.89034119418977 78.960 > 29 30 Se 0.37500000000000 0.24074236577521 0.89034119418977 78.960 > 29 31 Se 0.62500000000000 0.24074236577521 0.89034119418977 78.960 > 29 32 Se 0.87500000000000 0.24074236577521 0.89034119418977 78.960 > 29 33 Se 0.00000000000000 0.00000000000000 0.50000000000000 78.960 > 33 34 Se 0.25000000000000 0.00000000000000 0.50000000000000 78.960 > 33 35 Se 0.50000000000000 0.00000000000000 0.50000000000000 78.960 > 33 36 Se 0.75000000000000 0.00000000000000 0.50000000000000 78.960 > 33 37 Se 0.00000000000000 0.00000000000000 0.00000000000000 78.960 > 37 38 Se 0.25000000000000 0.00000000000000 0.00000000000000 78.960 > 37 39 Se 0.50000000000000 0.00000000000000 0.00000000000000 78.960 > 37 40 Se 0.75000000000000 0.00000000000000 0.00000000000000 78.960 > 37 41 Se 0.00000000000000 0.25925763422479 0.39034119418977 78.960 > 41 42 Se 0.25000000000000 0.25925763422479 0.39034119418977 78.960 > 41 43 Se 0.50000000000000 0.25925763422479 0.39034119418977 78.960 > 41 44 Se 0.75000000000000 0.25925763422479 0.39034119418977 78.960 > 41 45 Se 0.12500000000000 0.24074236577521 0.60965880581023 78.960 > 45 46 Se 0.37500000000000 0.24074236577521 0.60965880581023 78.960 > 45 47 Se 0.62500000000000 0.24074236577521 0.60965880581023 78.960 > 45 48 Se 0.87500000000000 0.24074236577521 0.60965880581023 78.960 > 45 49 Se 0.00000000000000 0.57756691229898 0.25000000000000 78.960 > 17 50 Se 0.25000000000000 0.57756691229898 0.25000000000000 78.960 > 17 51 Se 0.50000000000000 0.57756691229898 0.25000000000000 78.960 > 17 52 Se 0.75000000000000 0.57756691229898 0.25000000000000 78.960 > 17 53 Se 0.12500000000000 0.92243308770102 0.75000000000000 78.960 > 21 54 Se 0.37500000000000 0.92243308770102 0.75000000000000 78.960 > 21 55 Se 0.62500000000000 0.92243308770102 0.75000000000000 78.960 > 21 56 Se 0.87500000000000 0.92243308770102 0.75000000000000 78.960 > 21 57 Se 0.12500000000000 0.75925763422479 0.10965880581023 78.960 > 25 58 Se 0.37500000000000 0.75925763422479 0.10965880581023 78.960 > 25 59 Se 0.62500000000000 0.75925763422479 0.10965880581023 78.960 > 25 60 Se 0.87500000000000 0.75925763422479 0.10965880581023 78.960 > 25 61 Se 0.00000000000000 0.74074236577521 0.89034119418977 78.960 > 29 62 Se 0.25000000000000 0.74074236577521 0.89034119418977 78.960 > 29 63 Se 0.50000000000000 0.74074236577521 0.89034119418977 78.960 > 29 64 Se 0.75000000000000 0.74074236577521 0.89034119418977 78.960 > 29 65 Se 0.12500000000000 0.50000000000000 0.50000000000000 78.960 > 33 66 Se 0.37500000000000 0.50000000000000 0.50000000000000 78.960 > 33 67 Se 0.62500000000000 0.50000000000000 0.50000000000000 78.960 > 33 68 Se 0.87500000000000 0.50000000000000 0.50000000000000 78.960 > 33 69 Se 0.12500000000000 0.50000000000000 0.00000000000000 78.960 > 37 70 Se 0.37500000000000 0.50000000000000 0.00000000000000 78.960 > 37 71 Se 0.62500000000000 0.50000000000000 0.00000000000000 78.960 > 37 72 Se 0.87500000000000 0.50000000000000 0.00000000000000 78.960 > 37 73 Se 0.12500000000000 0.75925763422479 0.39034119418977 78.960 > 41 74 Se 0.37500000000000 0.75925763422479 0.39034119418977 78.960 > 41 75 Se 0.62500000000000 0.75925763422479 0.39034119418977 78.960 > 41 76 Se 0.87500000000000 0.75925763422479 0.39034119418977 78.960 > 41 77 Se 0.00000000000000 0.74074236577521 0.60965880581023 78.960 > 45 78 Se 0.25000000000000 0.74074236577521 0.60965880581023 78.960 > 45 79 Se 0.50000000000000 0.74074236577521 0.60965880581023 78.960 > 45 80 Se 0.75000000000000 0.74074236577521 0.60965880581023 78.960 > 45 81 Cs 0.00000000000000 0.10679260338747 0.75000000000000 132.905 > 81 82 Cs 0.25000000000000 0.10679260338747 0.75000000000000 132.905 > 81 83 Cs 0.50000000000000 0.10679260338747 0.75000000000000 132.905 > 81 84 Cs 0.75000000000000 0.10679260338747 0.75000000000000 132.905 > 81 85 Cs 0.12500000000000 0.39320739661253 0.25000000000000 132.905 > 85 86 Cs 0.37500000000000 0.39320739661253 0.25000000000000 132.905 > 85 87 Cs 0.62500000000000 0.39320739661253 0.25000000000000 132.905 > 85 88 Cs 0.87500000000000 0.39320739661253 0.25000000000000 132.905 > 85 89 Cs 0.12500000000000 0.60679260338747 0.75000000000000 132.905 > 81 90 Cs 0.37500000000000 0.60679260338747 0.75000000000000 132.905 > 81 91 Cs 0.62500000000000 0.60679260338747 0.75000000000000 132.905 > 81 92 Cs 0.87500000000000 0.60679260338747 0.75000000000000 132.905 > 81 93 Cs 0.00000000000000 0.89320739661253 0.25000000000000 132.905 > 85 94 Cs 0.25000000000000 0.89320739661253 0.25000000000000 132.905 > 85 95 Cs 0.50000000000000 0.89320739661253 0.25000000000000 132.905 > 85 96 Cs 0.75000000000000 0.89320739661253 0.25000000000000 132.905 > 85 97 Sm 0.12500000000000 0.13375562704682 0.06136384514616 150.360 > 97 98 Sm 0.37500000000000 0.13375562704682 0.06136384514616 150.360 > 97 99 Sm 0.62500000000000 0.13375562704682 0.06136384514616 150.360 > 97 100 Sm 0.87500000000000 0.13375562704682 0.06136384514616 150.360 > 97 101 Sm 0.00000000000000 0.36624437295319 0.93863615485384 150.360 > 101 102 Sm 0.25000000000000 0.36624437295319 0.93863615485384 150.360 > 101 103 Sm 0.50000000000000 0.36624437295319 0.93863615485384 150.360 > 101 104 Sm 0.75000000000000 0.36624437295319 0.93863615485384 150.360 > 101 105 Sm 0.12500000000000 0.13375562704682 0.43863615485384 150.360 > 105 106 Sm 0.37500000000000 0.13375562704682 0.43863615485384 150.360 > 105 107 Sm 0.62500000000000 0.13375562704682 0.43863615485384 150.360 > 105 108 Sm 0.87500000000000 0.13375562704682 0.43863615485384 150.360 > 105 109 Sm 0.00000000000000 0.36624437295319 0.56136384514616 150.360 > 109 110 Sm 0.25000000000000 0.36624437295319 0.56136384514616 150.360 > 109 111 Sm 0.50000000000000 0.36624437295319 0.56136384514616 150.360 > 109 112 Sm 0.75000000000000 0.36624437295319 0.56136384514616 150.360 > 109 113 Sm 0.00000000000000 0.63375562704681 0.06136384514616 150.360 > 97 114 Sm 0.25000000000000 0.63375562704681 0.06136384514616 150.360 > 97 115 Sm 0.50000000000000 0.63375562704681 0.06136384514616 150.360 > 97 116 Sm 0.75000000000000 0.63375562704681 0.06136384514616 150.360 > 97 117 Sm 0.12500000000000 0.86624437295319 0.93863615485384 150.360 > 101 118 Sm 0.37500000000000 0.86624437295319 0.93863615485384 150.360 > 101 119 Sm 0.62500000000000 0.86624437295319 0.93863615485384 150.360 > 101 120 Sm 0.87500000000000 0.86624437295319 0.93863615485384 150.360 > 101 121 Sm 0.00000000000000 0.63375562704681 0.43863615485384 150.360 > 105 122 Sm 0.25000000000000 0.63375562704681 0.43863615485384 150.360 > 105 123 Sm 0.50000000000000 0.63375562704681 0.43863615485384 150.360 > 105 124 Sm 0.75000000000000 0.63375562704681 0.43863615485384 150.360 > 105 125 Sm 0.12500000000000 0.86624437295319 0.56136384514616 150.360 > 109 126 Sm 0.37500000000000 0.86624437295319 0.56136384514616 150.360 > 109 127 Sm 0.62500000000000 0.86624437295319 0.56136384514616 150.360 > 109 128 Sm 0.87500000000000 0.86624437295319 0.56136384514616 150.360 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.9066772 0.0000000 0.0000000 0.0000000 7.0170782 0.0000000 0.0000000 0.0000000 9.0164757 -------------------------- Born effective charges -------------------------- 1 Cu 0.6546108 0.0000000 0.0000000 0.0000000 0.3634844 0.0000000 0.0000000 0.0000000 0.5281318 2 Cu 0.6546108 0.0000000 0.0000000 0.0000000 0.3634844 0.0000000 0.0000000 0.0000000 0.5281318 3 Se -1.6820518 0.0000000 0.0000000 0.0000000 -1.3967115 0.0000000 0.0000000 0.0000000 -3.7344927 4 Se -1.6820518 0.0000000 0.0000000 0.0000000 -1.3967115 0.0000000 0.0000000 0.0000000 -3.7344927 5 Se -2.7786552 0.0000000 0.0000000 0.0000000 -2.3204686 0.4219717 0.0000000 0.7639133 -2.9156290 6 Se -2.7786552 0.0000000 0.0000000 0.0000000 -2.3204686 0.4219717 0.0000000 0.7639133 -2.9156290 7 Se -4.3278461 0.0000000 0.0000000 0.0000000 -3.2633901 0.9743754 0.0000000 0.8524856 -1.5653851 8 Se -4.3278461 0.0000000 0.0000000 0.0000000 -3.2633901 -0.9743754 0.0000000 -0.8524856 -1.5653851 9 Se -2.7786552 0.0000000 0.0000000 0.0000000 -2.3204686 -0.4219717 0.0000000 -0.7639133 -2.9156290 10 Se -2.7786552 0.0000000 0.0000000 0.0000000 -2.3204686 -0.4219717 0.0000000 -0.7639133 -2.9156290 11 Cs 1.1485782 0.0000000 0.0000000 0.0000000 1.7314172 0.0000000 0.0000000 0.0000000 1.2517428 12 Cs 1.1485782 0.0000000 0.0000000 0.0000000 1.7314172 0.0000000 0.0000000 0.0000000 1.2517428 13 Sm 4.8820096 0.0000000 0.0000000 0.0000000 3.6030686 -0.0456843 0.0000000 -0.3638595 4.6756307 14 Sm 4.8820096 0.0000000 0.0000000 0.0000000 3.6030686 -0.0456843 0.0000000 -0.3638595 4.6756307 15 Sm 4.8820096 0.0000000 0.0000000 0.0000000 3.6030686 0.0456843 0.0000000 0.3638595 4.6756307 16 Sm 4.8820096 0.0000000 0.0000000 0.0000000 3.6030686 0.0456843 0.0000000 0.3638595 4.6756307 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xzz) -0.00000000 (xzz) -0.00000000 (xzz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- 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 ... [ 13 13 3 ] 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: 0.55, Number of G-points: 303, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/98) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.929 ( 0.000 0.000 0.000) 0.000 1.072 ( 0.000 0.000 0.000) 0.000 1.262 ( 0.000 0.000 0.000) 0.000 1.533 ( 0.000 0.000 0.000) 0.000 1.596 ( 0.000 0.000 0.000) 0.000 1.652 ( 0.000 0.000 0.000) 0.000 1.725 ( 0.000 0.000 0.000) 0.000 1.743 ( 0.000 0.000 0.000) 0.000 1.953 ( 0.000 0.000 0.000) 0.000 2.049 ( 0.000 0.000 0.000) 0.000 2.102 ( 0.000 0.000 0.000) 0.000 2.129 ( 0.000 0.000 0.000) 0.000 2.178 ( 0.000 0.000 0.000) 0.000 2.235 ( 0.000 0.000 0.000) 0.000 2.285 ( 0.000 0.000 0.000) 0.000 2.585 ( 0.000 0.000 0.000) 0.000 2.754 ( 0.000 0.000 0.000) 0.000 2.861 ( 0.000 0.000 0.000) 0.000 2.918 ( 0.000 0.000 0.000) 0.000 3.043 ( 0.000 0.000 0.000) 0.000 3.079 ( 0.000 0.000 0.000) 0.000 3.310 ( 0.000 0.000 0.000) 0.000 3.343 ( 0.000 0.000 0.000) 0.000 3.351 ( 0.000 0.000 0.000) 0.000 3.370 ( 0.000 0.000 0.000) 0.000 4.122 ( 0.000 0.000 0.000) 0.000 4.168 ( 0.000 0.000 0.000) 0.000 4.300 ( 0.000 0.000 0.000) 0.000 4.337 ( 0.000 0.000 0.000) 0.000 4.344 ( 0.000 0.000 0.000) 0.000 4.473 ( 0.000 0.000 0.000) 0.000 4.550 ( 0.000 0.000 0.000) 0.000 4.827 ( 0.000 0.000 0.000) 0.000 4.929 ( 0.000 0.000 0.000) 0.000 5.025 ( 0.000 0.000 0.000) 0.000 5.059 ( 0.000 0.000 0.000) 0.000 5.094 ( 0.000 0.000 0.000) 0.000 5.266 ( 0.000 0.000 0.000) 0.000 5.431 ( 0.000 0.000 0.000) 0.000 5.466 ( 0.000 0.000 0.000) 0.000 5.620 ( 0.000 0.000 0.000) 0.000 5.714 ( 0.000 0.000 0.000) 0.000 5.901 ( 0.000 0.000 0.000) 0.000 5.973 ( 0.000 0.000 0.000) 0.000 6.054 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/98) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.369 ( 18.166 -4.578 0.000) 18.734 0.449 ( 24.201 1.385 0.000) 24.240 0.765 ( 36.327 -12.705 0.000) 38.485 1.021 ( 8.525 -2.313 0.000) 8.834 1.187 ( 9.404 -1.093 0.000) 9.467 1.369 ( 9.785 -0.764 0.000) 9.815 1.524 ( 1.777 2.031 0.000) 2.699 1.689 ( 3.681 0.413 0.000) 3.704 1.724 ( 0.028 0.796 0.000) 0.796 1.741 ( 0.559 0.041 0.000) 0.560 1.779 ( 14.179 3.337 0.000) 14.566 1.955 ( -0.222 -0.733 0.000) 0.766 2.037 ( 3.643 8.703 0.000) 9.435 2.136 ( 1.366 -1.040 0.000) 1.717 2.153 ( 0.942 -7.800 0.000) 7.856 2.177 ( 1.564 0.472 0.000) 1.634 2.217 ( -1.560 0.266 0.000) 1.583 2.370 ( 7.740 0.116 0.000) 7.741 2.575 ( 0.129 2.454 0.000) 2.457 2.744 ( -1.360 -0.946 0.000) 1.657 2.856 ( -0.120 0.142 0.000) 0.186 2.926 ( 0.675 0.063 0.000) 0.678 2.997 ( -4.213 1.333 0.000) 4.419 3.088 ( 0.248 -1.460 0.000) 1.481 3.256 ( -4.587 2.531 0.000) 5.239 3.342 ( -0.451 -1.412 0.000) 1.482 3.558 ( 17.068 0.094 0.000) 17.068 3.911 ( 3.311 2.752 0.000) 4.306 4.200 ( 3.622 0.984 0.000) 3.753 4.258 ( -2.541 -2.067 0.000) 3.276 4.309 ( -2.205 2.356 0.000) 3.227 4.397 ( 4.174 -0.329 0.000) 4.187 4.474 ( 3.831 5.731 0.000) 6.894 4.539 ( -1.418 -1.167 0.000) 1.837 4.812 ( 1.304 4.620 0.000) 4.800 4.935 ( 0.693 0.621 0.000) 0.931 4.967 ( -5.067 -1.236 0.000) 5.215 5.010 ( -4.897 0.320 0.000) 4.907 5.045 ( -2.314 5.017 0.000) 5.525 5.217 ( -5.588 -5.235 0.000) 7.657 5.291 ( 3.745 -3.652 0.000) 5.231 5.489 ( 2.142 -0.117 0.000) 2.145 5.617 ( -0.110 0.109 0.000) 0.155 5.713 ( -0.236 0.098 0.000) 0.256 5.779 ( -0.000 7.348 0.000) 7.348 5.881 ( -1.077 2.621 0.000) 2.833 5.973 ( -0.979 -3.010 0.000) 3.165 6.028 ( -5.475 -5.704 0.000) 7.907 ======================= Grid point 2 (3/98) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( 16.742 -3.509 0.000) 17.106 0.873 ( 22.786 3.458 0.000) 23.047 1.235 ( 12.397 -2.334 0.000) 12.615 1.344 ( 6.504 -0.864 0.000) 6.561 1.455 ( 30.734 -11.576 0.000) 32.842 1.551 ( 7.184 -2.926 0.000) 7.757 1.609 ( 8.340 3.163 0.000) 8.920 1.703 ( -0.485 2.519 0.000) 2.566 1.749 ( 0.977 -0.354 0.000) 1.039 1.785 ( 4.547 1.978 0.000) 4.959 1.938 ( -0.297 1.303 0.000) 1.336 2.004 ( 6.540 1.599 0.000) 6.733 2.087 ( 0.833 3.141 0.000) 3.250 2.186 ( 5.603 3.398 0.000) 6.553 2.216 ( 9.734 1.810 0.000) 9.901 2.250 ( 7.634 -0.227 0.000) 7.637 2.295 ( 8.039 -4.530 0.000) 9.227 2.530 ( 8.687 -0.088 0.000) 8.688 2.584 ( 1.506 -1.321 0.000) 2.003 2.715 ( -2.255 -1.432 0.000) 2.671 2.850 ( -1.965 1.352 0.000) 2.385 2.887 ( -3.203 1.885 0.000) 3.716 2.951 ( 0.621 -0.774 0.000) 0.992 3.078 ( -3.252 1.188 0.000) 3.462 3.146 ( -4.186 1.121 0.000) 4.333 3.345 ( 0.008 -1.268 0.000) 1.269 3.853 ( 12.101 0.527 0.000) 12.113 3.968 ( 3.748 1.244 0.000) 3.949 4.197 ( -2.669 -0.613 0.000) 2.739 4.254 ( -2.859 0.617 0.000) 2.925 4.349 ( 10.080 -1.291 0.000) 10.162 4.462 ( 0.737 -1.076 0.000) 1.304 4.509 ( 1.289 -0.568 0.000) 1.409 4.528 ( 1.295 -0.747 0.000) 1.495 4.815 ( 1.063 2.601 0.000) 2.809 4.875 ( -6.971 2.211 0.000) 7.313 4.883 ( -3.900 0.028 0.000) 3.900 4.966 ( 1.321 -0.734 0.000) 1.511 4.967 ( -2.968 3.539 0.000) 4.619 5.106 ( -8.371 -3.692 0.000) 9.149 5.373 ( 3.116 0.143 0.000) 3.119 5.529 ( 1.633 -0.298 0.000) 1.660 5.622 ( 0.902 0.225 0.000) 0.929 5.695 ( -1.963 0.072 0.000) 1.964 5.717 ( -2.203 8.313 0.000) 8.600 5.850 ( -0.149 4.026 0.000) 4.029 5.948 ( -5.572 -4.403 0.000) 7.102 5.967 ( -1.617 -3.839 0.000) 4.166 ======================= Grid point 3 (4/98) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 14.681 -2.355 0.000) 14.869 1.247 ( 20.072 5.964 0.000) 20.939 1.454 ( 5.241 -1.068 0.000) 5.349 1.474 ( 11.720 -0.780 0.000) 11.746 1.664 ( 3.600 -3.388 0.000) 4.944 1.687 ( 0.407 2.434 0.000) 2.467 1.745 ( -0.946 -1.159 0.000) 1.497 1.773 ( 10.835 4.317 0.000) 11.663 1.814 ( 2.882 6.245 0.000) 6.877 1.894 ( -2.458 2.977 0.000) 3.860 2.010 ( 14.183 -10.021 0.000) 17.366 2.042 ( -3.682 -0.106 0.000) 3.684 2.073 ( 8.162 -4.848 0.000) 9.493 2.295 ( 5.179 5.350 0.000) 7.446 2.387 ( 7.198 2.096 0.000) 7.497 2.470 ( 15.036 2.722 0.000) 15.281 2.497 ( 8.504 -1.808 0.000) 8.695 2.615 ( 1.881 -2.987 0.000) 3.530 2.665 ( 1.692 -0.171 0.000) 1.701 2.729 ( 5.432 -4.134 0.000) 6.826 2.768 ( -0.363 2.445 0.000) 2.472 2.887 ( 1.230 0.012 0.000) 1.230 2.946 ( -7.655 1.308 0.000) 7.766 2.966 ( 0.597 0.088 0.000) 0.603 3.117 ( -0.464 -0.614 0.000) 0.770 3.357 ( 0.837 -0.453 0.000) 0.951 3.995 ( 4.973 0.300 0.000) 4.982 4.030 ( 3.523 0.685 0.000) 3.589 4.148 ( -3.131 -1.273 0.000) 3.380 4.192 ( -3.808 -0.166 0.000) 3.811 4.427 ( -3.523 -1.535 0.000) 3.843 4.527 ( -0.294 -2.933 0.000) 2.948 4.533 ( 6.311 1.427 0.000) 6.470 4.608 ( 5.177 -1.299 0.000) 5.337 4.750 ( -3.467 1.311 0.000) 3.707 4.812 ( -1.336 1.705 0.000) 2.166 4.843 ( 0.697 0.583 0.000) 0.909 4.915 ( -1.320 1.582 0.000) 2.060 4.975 ( -5.819 -1.451 0.000) 5.998 5.008 ( 2.882 -0.344 0.000) 2.902 5.392 ( -0.260 1.902 0.000) 1.920 5.542 ( -0.632 -0.210 0.000) 0.666 5.622 ( -2.973 7.714 0.000) 8.267 5.638 ( -3.948 0.198 0.000) 3.953 5.645 ( 1.512 0.754 0.000) 1.690 5.832 ( 0.325 4.460 0.000) 4.472 5.873 ( -4.899 -3.277 0.000) 5.894 5.953 ( -1.883 -2.947 0.000) 3.497 ======================= Grid point 4 (5/98) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( 12.247 -1.208 0.000) 12.306 1.535 ( 13.852 7.830 0.000) 15.912 1.543 ( 3.604 -0.539 0.000) 3.644 1.640 ( 5.404 -0.090 0.000) 5.404 1.679 ( -0.690 1.961 0.000) 2.079 1.721 ( 2.062 1.558 0.000) 2.584 1.783 ( 5.020 -2.044 0.000) 5.421 1.812 ( 1.557 5.778 0.000) 5.984 1.839 ( -0.265 -0.077 0.000) 0.276 1.957 ( 9.449 5.079 0.000) 10.728 1.970 ( -3.909 -1.035 0.000) 4.044 2.071 ( 0.065 -2.274 0.000) 2.275 2.264 ( -1.484 6.049 0.000) 6.229 2.398 ( -3.799 5.717 0.000) 6.864 2.403 ( 9.545 -6.518 0.000) 11.558 2.575 ( 2.377 -2.131 0.000) 3.192 2.631 ( -1.289 -2.645 0.000) 2.942 2.660 ( 3.372 -3.327 0.000) 4.737 2.766 ( 3.554 -0.606 0.000) 3.606 2.843 ( 3.895 0.186 0.000) 3.900 2.869 ( 5.361 -0.908 0.000) 5.437 2.887 ( 7.089 -5.473 0.000) 8.956 2.934 ( 5.747 -0.378 0.000) 5.759 2.970 ( 0.386 0.634 0.000) 0.742 3.129 ( 1.745 -1.676 0.000) 2.419 3.376 ( 0.920 0.194 0.000) 0.940 4.069 ( 2.881 -0.127 0.000) 2.884 4.092 ( 3.323 0.241 0.000) 3.332 4.104 ( -1.474 -0.918 0.000) 1.736 4.122 ( -3.363 -0.039 0.000) 3.363 4.364 ( -3.157 -0.221 0.000) 3.165 4.532 ( -0.443 -2.085 0.000) 2.131 4.582 ( 1.619 2.755 0.000) 3.196 4.622 ( -1.405 1.529 0.000) 2.076 4.761 ( -3.084 0.458 0.000) 3.117 4.794 ( 3.768 -2.872 0.000) 4.738 4.841 ( -1.390 1.085 0.000) 1.763 4.907 ( 2.454 0.200 0.000) 2.462 4.962 ( 2.886 0.233 0.000) 2.895 5.074 ( 3.863 -0.463 0.000) 3.891 5.357 ( -1.780 2.985 0.000) 3.475 5.495 ( -3.445 3.208 0.000) 4.707 5.546 ( -2.576 2.000 0.000) 3.261 5.552 ( -5.074 0.489 0.000) 5.097 5.656 ( -0.053 0.845 0.000) 0.846 5.796 ( -4.954 -1.832 0.000) 5.282 5.809 ( -0.358 3.644 0.000) 3.661 5.922 ( -2.739 -1.217 0.000) 2.997 ======================= Grid point 5 (6/98) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 9.625 -0.138 0.000) 9.626 1.588 ( 1.433 0.642 0.000) 1.570 1.624 ( 1.417 7.886 0.000) 8.012 1.650 ( -1.204 -0.090 0.000) 1.208 1.712 ( 2.063 -1.313 0.000) 2.445 1.746 ( 1.753 1.980 0.000) 2.645 1.799 ( -0.580 1.604 0.000) 1.705 1.844 ( -1.704 -0.457 0.000) 1.764 1.922 ( 8.717 4.088 0.000) 9.628 1.966 ( 4.225 -1.148 0.000) 4.378 2.048 ( 3.184 5.137 0.000) 6.043 2.091 ( 0.907 -1.547 0.000) 1.794 2.196 ( -1.320 2.628 0.000) 2.941 2.275 ( -4.985 5.087 0.000) 7.123 2.520 ( 2.168 -2.508 0.000) 3.315 2.584 ( -2.948 -0.694 0.000) 3.029 2.618 ( 1.072 -0.858 0.000) 1.373 2.749 ( -1.212 -7.403 0.000) 7.501 2.777 ( 1.301 -5.388 0.000) 5.543 2.867 ( 0.717 4.192 0.000) 4.252 2.913 ( 1.015 -0.587 0.000) 1.172 2.957 ( -0.430 0.776 0.000) 0.887 3.082 ( 5.878 -3.402 0.000) 6.791 3.089 ( 6.367 -2.450 0.000) 6.822 3.230 ( 6.249 -2.684 0.000) 6.800 3.395 ( 2.316 -0.323 0.000) 2.339 4.066 ( -1.035 -0.284 0.000) 1.073 4.078 ( -1.286 -0.063 0.000) 1.288 4.139 ( 2.258 0.134 0.000) 2.262 4.147 ( 2.432 0.118 0.000) 2.435 4.341 ( 1.023 -0.531 0.000) 1.153 4.542 ( 0.667 -0.978 0.000) 1.184 4.565 ( -1.655 5.431 0.000) 5.677 4.616 ( 2.154 0.228 0.000) 2.166 4.717 ( -0.567 1.081 0.000) 1.221 4.817 ( -0.438 1.333 0.000) 1.403 4.841 ( -0.684 -3.628 0.000) 3.692 4.959 ( 2.159 -0.538 0.000) 2.225 5.043 ( 5.655 0.224 0.000) 5.659 5.153 ( 4.318 -0.462 0.000) 4.343 5.306 ( -1.836 2.526 0.000) 3.123 5.408 ( -3.753 2.816 0.000) 4.693 5.447 ( -5.855 0.599 0.000) 5.886 5.480 ( -4.089 0.222 0.000) 4.095 5.638 ( -1.158 0.574 0.000) 1.293 5.711 ( -4.667 -0.818 0.000) 4.739 5.784 ( -0.493 2.352 0.000) 2.403 5.868 ( -3.190 -0.163 0.000) 3.194 ======================= Grid point 6 (7/98) ======================= q-point: ( 0.46 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( -0.596 3.872 0.000) 3.918 1.595 ( 0.055 0.683 0.000) 0.685 1.632 ( 5.405 0.480 0.000) 5.426 1.645 ( 0.437 -0.661 0.000) 0.792 1.729 ( -0.492 -0.920 0.000) 1.043 1.765 ( 0.684 -0.826 0.000) 1.072 1.784 ( -0.017 2.017 0.000) 2.017 1.791 ( -3.029 -0.405 0.000) 3.056 2.020 ( 2.621 1.697 0.000) 3.122 2.058 ( 3.821 -0.695 0.000) 3.884 2.069 ( 1.389 1.781 0.000) 2.259 2.078 ( -1.827 -1.535 0.000) 2.386 2.179 ( -2.958 2.460 0.000) 3.847 2.227 ( 4.082 2.521 0.000) 4.797 2.531 ( -1.166 -1.724 0.000) 2.081 2.558 ( -0.777 0.266 0.000) 0.822 2.628 ( 0.078 -0.176 0.000) 0.193 2.739 ( -0.944 -5.566 0.000) 5.646 2.790 ( -2.157 0.227 0.000) 2.169 2.876 ( 1.606 1.371 0.000) 2.112 2.930 ( 0.602 -0.576 0.000) 0.833 2.944 ( -0.480 0.661 0.000) 0.817 3.174 ( 1.827 -1.169 0.000) 2.169 3.182 ( 3.901 -3.004 0.000) 4.924 3.258 ( -2.009 2.103 0.000) 2.909 3.484 ( 3.611 -1.795 0.000) 4.033 4.055 ( -0.280 -0.086 0.000) 0.293 4.068 ( -0.114 -0.025 0.000) 0.117 4.162 ( 0.641 0.363 0.000) 0.737 4.176 ( 0.787 0.100 0.000) 0.793 4.396 ( 3.117 -2.360 0.000) 3.910 4.495 ( -2.647 4.207 0.000) 4.970 4.552 ( -0.026 -0.136 0.000) 0.139 4.671 ( 3.293 0.898 0.000) 3.414 4.741 ( 2.610 0.333 0.000) 2.631 4.808 ( -0.099 0.419 0.000) 0.430 4.817 ( -2.850 -2.335 0.000) 3.684 4.973 ( -0.708 -0.024 0.000) 0.708 5.156 ( 6.199 0.047 0.000) 6.199 5.238 ( 4.767 -0.236 0.000) 4.773 5.256 ( -3.806 0.340 0.000) 3.821 5.336 ( -5.604 0.347 0.000) 5.615 5.350 ( -0.072 1.789 0.000) 1.791 5.400 ( -3.989 -0.101 0.000) 3.990 5.620 ( -0.388 0.246 0.000) 0.459 5.646 ( -2.317 -0.301 0.000) 2.336 5.770 ( -0.088 0.846 0.000) 0.850 5.820 ( -1.590 0.054 0.000) 1.590 ======================= Grid point 14 (8/98) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( 17.560 0.000 0.000) 17.560 0.897 ( 23.235 0.000 0.000) 23.235 1.222 ( 12.962 0.000 0.000) 12.962 1.339 ( 6.643 0.000 0.000) 6.643 1.388 ( 32.687 0.000 0.000) 32.687 1.535 ( 6.840 0.000 0.000) 6.840 1.627 ( 8.177 0.000 0.000) 8.177 1.719 ( -0.737 -0.000 0.000) 0.737 1.745 ( 1.001 0.000 0.000) 1.001 1.795 ( 5.413 0.000 0.000) 5.413 1.945 ( -0.478 -0.000 0.000) 0.478 2.014 ( 4.682 0.000 0.000) 4.682 2.106 ( -2.669 -0.000 0.000) 2.669 2.209 ( 6.419 0.000 0.000) 6.419 2.230 ( 13.814 0.000 0.000) 13.814 2.243 ( 8.908 0.000 0.000) 8.908 2.264 ( 7.055 0.000 0.000) 7.055 2.527 ( 8.779 0.000 0.000) 8.779 2.579 ( 0.051 0.000 0.000) 0.051 2.707 ( -2.329 -0.000 0.000) 2.329 2.856 ( -0.774 -0.000 0.000) 0.774 2.900 ( -5.062 -0.000 0.000) 5.062 2.945 ( 1.210 0.000 0.000) 1.210 3.084 ( -1.780 -0.000 0.000) 1.780 3.152 ( -5.837 -0.000 0.000) 5.837 3.338 ( 0.394 0.000 0.000) 0.394 3.856 ( 12.088 0.000 0.000) 12.088 3.975 ( 3.368 0.000 0.000) 3.368 4.194 ( -3.210 -0.000 0.000) 3.210 4.257 ( -3.423 -0.000 0.000) 3.423 4.342 ( 10.953 0.000 0.000) 10.953 4.455 ( 0.021 0.000 0.000) 0.021 4.505 ( 0.200 0.000 0.000) 0.200 4.524 ( 2.082 0.000 0.000) 2.082 4.832 ( 0.547 0.000 0.000) 0.547 4.880 ( -3.674 -0.000 0.000) 3.674 4.888 ( -7.646 -0.000 0.000) 7.646 4.961 ( 1.860 0.000 0.000) 1.860 4.994 ( -3.574 -0.000 0.000) 3.574 5.079 ( -7.820 -0.000 0.000) 7.820 5.373 ( 3.771 0.000 0.000) 3.771 5.527 ( 1.631 0.000 0.000) 1.631 5.623 ( 0.902 0.000 0.000) 0.902 5.695 ( -1.977 -0.000 0.000) 1.977 5.772 ( -2.215 -0.000 0.000) 2.215 5.878 ( 0.193 0.000 0.000) 0.193 5.915 ( -5.472 -0.000 0.000) 5.472 5.940 ( -1.655 -0.000 0.000) 1.655 ======================= Grid point 15 (9/98) ======================= q-point: ( 0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 15.425 -0.817 0.000) 15.446 1.298 ( 20.647 2.957 0.000) 20.858 1.446 ( 5.218 -0.379 0.000) 5.231 1.468 ( 12.655 -0.347 0.000) 12.660 1.638 ( 4.822 -1.320 0.000) 4.999 1.705 ( -0.028 0.931 0.000) 0.931 1.735 ( -1.526 -0.586 0.000) 1.634 1.805 ( 10.838 1.625 0.000) 10.959 1.858 ( 1.172 2.042 0.000) 2.354 1.924 ( 14.291 -3.573 0.000) 14.731 1.943 ( 4.704 4.332 0.000) 6.394 2.014 ( 3.575 -5.866 0.000) 6.870 2.042 ( -4.121 -0.002 0.000) 4.121 2.339 ( 6.609 2.412 0.000) 7.036 2.404 ( 7.651 0.960 0.000) 7.711 2.482 ( 9.035 -0.888 0.000) 9.079 2.496 ( 13.553 1.749 0.000) 13.666 2.590 ( 1.001 -1.494 0.000) 1.798 2.666 ( 0.588 0.369 0.000) 0.695 2.693 ( 7.315 -2.292 0.000) 7.665 2.788 ( -1.422 1.070 0.000) 1.780 2.887 ( 1.192 0.024 0.000) 1.193 2.952 ( -9.792 0.032 0.000) 9.792 2.966 ( 0.910 -0.005 0.000) 0.910 3.115 ( -0.315 0.089 0.000) 0.327 3.354 ( 1.155 -0.188 0.000) 1.170 3.998 ( 4.767 0.154 0.000) 4.769 4.036 ( 3.318 0.315 0.000) 3.333 4.137 ( -2.945 -0.535 0.000) 2.993 4.190 ( -3.865 -0.156 0.000) 3.868 4.415 ( -3.163 -0.633 0.000) 3.226 4.505 ( -0.202 -1.076 0.000) 1.095 4.545 ( 8.112 0.682 0.000) 8.140 4.597 ( 4.309 -0.642 0.000) 4.356 4.760 ( -4.473 0.514 0.000) 4.503 4.825 ( -2.262 0.754 0.000) 2.385 4.846 ( 0.625 0.039 0.000) 0.626 4.934 ( -2.674 2.039 0.000) 3.363 4.956 ( -4.012 -2.031 0.000) 4.497 5.006 ( 2.938 -0.135 0.000) 2.941 5.404 ( -0.164 0.484 0.000) 0.511 5.540 ( -0.402 -0.115 0.000) 0.419 5.639 ( -3.882 0.064 0.000) 3.883 5.644 ( 0.424 0.107 0.000) 0.437 5.705 ( -2.661 5.641 0.000) 6.237 5.833 ( -4.533 -3.548 0.000) 5.757 5.877 ( 0.157 3.979 0.000) 3.982 5.919 ( -1.338 -3.415 0.000) 3.668 ======================= Grid point 16 (10/98) ======================= q-point: ( 0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 12.880 -0.600 0.000) 12.894 1.538 ( 4.167 -0.396 0.000) 4.185 1.610 ( 14.288 5.801 0.000) 15.421 1.638 ( 4.090 -0.159 0.000) 4.093 1.696 ( -1.256 1.212 0.000) 1.746 1.726 ( 3.804 0.042 0.000) 3.804 1.764 ( 6.413 -1.285 0.000) 6.540 1.840 ( -1.652 0.507 0.000) 1.728 1.861 ( -0.351 2.406 0.000) 2.431 1.962 ( -4.210 -0.532 0.000) 4.243 2.002 ( 9.559 3.294 0.000) 10.111 2.041 ( 2.188 -2.082 0.000) 3.020 2.334 ( 12.822 -3.702 0.000) 13.346 2.355 ( -1.696 7.450 0.000) 7.640 2.453 ( -3.823 4.546 0.000) 5.940 2.550 ( 3.152 -2.543 0.000) 4.049 2.596 ( -0.226 -4.043 0.000) 4.049 2.623 ( 1.148 -3.219 0.000) 3.417 2.753 ( -4.076 -1.751 0.000) 4.436 2.840 ( 7.373 -0.503 0.000) 7.390 2.850 ( 8.643 -1.343 0.000) 8.746 2.863 ( 4.937 -0.413 0.000) 4.954 2.932 ( 4.994 -0.125 0.000) 4.995 2.975 ( 0.225 0.366 0.000) 0.430 3.118 ( 1.028 -0.555 0.000) 1.168 3.377 ( 1.152 0.024 0.000) 1.152 4.070 ( 3.198 0.197 0.000) 3.204 4.095 ( -1.530 -0.758 0.000) 1.707 4.095 ( 3.164 0.287 0.000) 3.177 4.121 ( -3.292 -0.134 0.000) 3.294 4.362 ( -2.537 -0.163 0.000) 2.542 4.514 ( 0.418 -1.207 0.000) 1.278 4.598 ( 0.362 0.684 0.000) 0.774 4.643 ( 0.922 2.120 0.000) 2.312 4.765 ( -3.338 0.183 0.000) 3.343 4.767 ( 2.553 -2.144 0.000) 3.334 4.847 ( -0.680 0.329 0.000) 0.756 4.910 ( 1.638 0.261 0.000) 1.659 4.964 ( 2.983 0.131 0.000) 2.986 5.070 ( 3.839 -0.247 0.000) 3.846 5.376 ( -2.096 0.953 0.000) 2.302 5.513 ( -2.365 0.634 0.000) 2.448 5.555 ( -5.007 0.238 0.000) 5.013 5.580 ( -4.736 3.356 0.000) 5.805 5.671 ( -0.168 2.148 0.000) 2.155 5.770 ( -4.411 -2.954 0.000) 5.308 5.845 ( -1.230 2.965 0.000) 3.210 5.907 ( -1.874 -1.553 0.000) 2.434 ======================= Grid point 17 (11/98) ======================= q-point: ( 0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 10.163 0.009 0.000) 10.163 1.592 ( 1.701 0.190 0.000) 1.712 1.652 ( -1.349 0.343 0.000) 1.392 1.700 ( 1.499 -1.036 0.000) 1.822 1.706 ( 1.324 7.127 0.000) 7.249 1.762 ( 0.435 1.533 0.000) 1.593 1.812 ( -0.219 0.889 0.000) 0.915 1.839 ( -1.980 -0.433 0.000) 2.026 1.940 ( 5.960 -1.426 0.000) 6.128 1.956 ( 4.948 -0.693 0.000) 4.996 2.084 ( 2.573 2.508 0.000) 3.593 2.103 ( 2.435 3.610 0.000) 4.354 2.250 ( -2.125 6.865 0.000) 7.186 2.323 ( -6.201 3.855 0.000) 7.302 2.489 ( 2.859 -3.196 0.000) 4.288 2.563 ( -3.632 -3.988 0.000) 5.394 2.608 ( 1.659 -0.853 0.000) 1.866 2.658 ( -2.905 -8.041 0.000) 8.550 2.734 ( 3.032 -2.840 0.000) 4.154 2.907 ( 1.071 -0.528 0.000) 1.194 2.914 ( 2.809 4.279 0.000) 5.119 2.965 ( -0.428 0.813 0.000) 0.919 3.058 ( 7.224 -1.456 0.000) 7.369 3.065 ( 6.245 -2.039 0.000) 6.569 3.197 ( 6.981 -3.241 0.000) 7.696 3.393 ( 0.958 -0.054 0.000) 0.960 4.064 ( -0.840 0.029 0.000) 0.841 4.078 ( -1.239 -0.018 0.000) 1.239 4.139 ( 2.829 0.013 0.000) 2.829 4.149 ( 2.478 0.196 0.000) 2.486 4.336 ( 0.071 -0.328 0.000) 0.335 4.532 ( 0.981 -0.738 0.000) 1.228 4.612 ( -0.183 1.440 0.000) 1.451 4.626 ( 1.244 3.807 0.000) 4.005 4.725 ( -0.405 0.571 0.000) 0.701 4.800 ( -0.900 -3.998 0.000) 4.099 4.828 ( -0.919 0.726 0.000) 1.171 4.956 ( 2.359 -0.168 0.000) 2.365 5.045 ( 5.567 0.156 0.000) 5.569 5.148 ( 4.426 -0.316 0.000) 4.437 5.324 ( -2.864 0.944 0.000) 3.015 5.441 ( -4.066 3.023 0.000) 5.066 5.452 ( -5.926 0.389 0.000) 5.939 5.483 ( -4.524 0.329 0.000) 4.536 5.646 ( -1.390 0.957 0.000) 1.688 5.699 ( -4.258 -1.458 0.000) 4.501 5.807 ( -1.364 1.865 0.000) 2.310 5.866 ( -2.827 -0.293 0.000) 2.842 ======================= Grid point 18 (12/98) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( -0.070 1.199 0.000) 1.201 1.635 ( 2.149 0.104 0.000) 2.152 1.642 ( 4.149 0.162 0.000) 4.152 1.648 ( -2.762 7.270 0.000) 7.777 1.715 ( -0.425 -1.635 0.000) 1.690 1.756 ( -0.131 -0.674 0.000) 0.687 1.787 ( -2.580 -0.355 0.000) 2.604 1.803 ( -0.544 1.470 0.000) 1.568 2.005 ( -0.046 -3.452 0.000) 3.452 2.051 ( 3.801 -0.589 0.000) 3.846 2.078 ( -1.192 0.528 0.000) 1.304 2.098 ( 0.216 3.632 0.000) 3.638 2.204 ( -4.807 2.069 0.000) 5.234 2.247 ( 0.876 0.887 0.000) 1.247 2.503 ( -0.479 -4.079 0.000) 4.107 2.552 ( -0.785 -0.688 0.000) 1.044 2.626 ( 0.266 -0.269 0.000) 0.379 2.672 ( 1.024 -5.907 0.000) 5.995 2.785 ( 1.333 -0.580 0.000) 1.454 2.924 ( 1.562 6.000 0.000) 6.200 2.925 ( 0.643 -0.490 0.000) 0.809 2.951 ( -0.583 0.682 0.000) 0.897 3.158 ( 4.062 -1.708 0.000) 4.407 3.161 ( 2.977 -1.254 0.000) 3.230 3.281 ( -0.044 2.234 0.000) 2.235 3.455 ( 4.024 -3.478 0.000) 5.318 4.056 ( -0.078 0.244 0.000) 0.256 4.069 ( -0.005 0.130 0.000) 0.131 4.169 ( 0.667 0.855 0.000) 1.085 4.178 ( 0.764 0.257 0.000) 0.806 4.369 ( 2.206 -2.566 0.000) 3.383 4.541 ( -3.805 4.348 0.000) 5.778 4.549 ( 0.221 -0.426 0.000) 0.480 4.677 ( 2.292 0.242 0.000) 2.305 4.744 ( 1.965 0.247 0.000) 1.980 4.791 ( -0.649 -2.402 0.000) 2.488 4.810 ( -0.755 0.022 0.000) 0.755 4.975 ( -0.285 0.368 0.000) 0.466 5.156 ( 6.106 0.032 0.000) 6.106 5.236 ( 4.848 -0.201 0.000) 4.852 5.258 ( -4.353 0.154 0.000) 4.356 5.339 ( -5.772 0.286 0.000) 5.779 5.369 ( -1.428 1.732 0.000) 2.245 5.399 ( -4.225 -0.089 0.000) 4.226 5.622 ( -0.643 0.268 0.000) 0.697 5.642 ( -1.985 -0.430 0.000) 2.031 5.778 ( -1.059 0.592 0.000) 1.214 5.822 ( -1.526 0.166 0.000) 1.535 ======================= Grid point 19 (13/98) ======================= q-point: (-0.54 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( -2.760 0.255 0.000) 2.771 1.591 ( -0.768 -0.145 0.000) 0.782 1.626 ( -5.616 -0.498 0.000) 5.638 1.655 ( 0.883 1.205 0.000) 1.494 1.734 ( 0.533 0.051 0.000) 0.535 1.761 ( -1.629 -2.128 0.000) 2.680 1.775 ( -0.396 0.824 0.000) 0.914 1.795 ( 3.514 0.366 0.000) 3.533 1.985 ( -4.754 -4.112 0.000) 6.285 2.042 ( -3.555 -3.067 0.000) 4.695 2.065 ( -3.406 0.666 0.000) 3.470 2.113 ( 3.219 3.790 0.000) 4.973 2.153 ( 0.670 -2.355 0.000) 2.448 2.199 ( -4.768 -2.590 0.000) 5.426 2.541 ( 0.874 -1.148 0.000) 1.443 2.553 ( 1.838 1.159 0.000) 2.173 2.630 ( 0.129 0.055 0.000) 0.140 2.724 ( 1.416 -6.175 0.000) 6.335 2.821 ( 3.619 4.535 0.000) 5.802 2.906 ( -0.510 5.409 0.000) 5.433 2.936 ( -0.469 0.449 0.000) 0.649 2.938 ( 0.280 -0.424 0.000) 0.508 3.185 ( -0.716 0.781 0.000) 1.060 3.217 ( -1.676 2.245 0.000) 2.802 3.243 ( 1.473 0.561 0.000) 1.576 3.491 ( -2.281 -0.502 0.000) 2.336 4.058 ( 0.479 0.424 0.000) 0.640 4.069 ( 0.160 0.196 0.000) 0.253 4.162 ( -0.860 0.384 0.000) 0.942 4.176 ( -0.784 0.140 0.000) 0.797 4.410 ( -1.616 -0.575 0.000) 1.716 4.461 ( -0.894 -1.340 0.000) 1.611 4.551 ( 0.134 -0.209 0.000) 0.248 4.660 ( -3.212 -1.163 0.000) 3.416 4.737 ( -3.066 -0.389 0.000) 3.091 4.801 ( -0.505 -0.868 0.000) 1.004 4.839 ( 4.152 1.814 0.000) 4.531 4.976 ( 0.977 0.580 0.000) 1.136 5.155 ( -6.293 -0.048 0.000) 6.294 5.240 ( -4.703 0.216 0.000) 4.708 5.251 ( 2.742 -0.569 0.000) 2.801 5.332 ( 5.427 -0.327 0.000) 5.436 5.333 ( -0.603 -1.352 0.000) 1.480 5.401 ( 3.539 0.093 0.000) 3.540 5.617 ( 0.265 -0.217 0.000) 0.343 5.648 ( 2.423 0.160 0.000) 2.428 5.761 ( -0.808 -0.878 0.000) 1.193 5.820 ( 1.513 0.044 0.000) 1.514 ======================= Grid point 20 (14/98) ======================= q-point: (-0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( -8.927 0.375 0.000) 8.935 1.546 ( -2.500 -6.711 0.000) 7.161 1.578 ( -1.275 -1.231 0.000) 1.772 1.656 ( 0.237 0.939 0.000) 0.969 1.714 ( -4.512 -4.325 0.000) 6.250 1.725 ( -2.057 1.031 0.000) 2.301 1.782 ( -0.365 -1.258 0.000) 1.310 1.848 ( 1.422 0.382 0.000) 1.472 1.880 ( -6.482 -3.116 0.000) 7.192 1.980 ( -3.269 1.650 0.000) 3.662 1.991 ( -4.903 -5.585 0.000) 7.432 2.088 ( -3.776 -2.219 0.000) 4.380 2.213 ( 5.163 5.277 0.000) 7.382 2.219 ( 3.774 -5.422 0.000) 6.606 2.529 ( -1.825 -1.027 0.000) 2.095 2.597 ( 3.467 2.215 0.000) 4.114 2.626 ( -0.573 0.698 0.000) 0.903 2.782 ( -0.527 -2.375 0.000) 2.433 2.825 ( -0.893 3.479 0.000) 3.592 2.862 ( -0.400 4.336 0.000) 4.354 2.919 ( -0.995 0.484 0.000) 1.106 2.949 ( 0.438 -0.601 0.000) 0.744 3.115 ( -6.296 2.271 0.000) 6.693 3.131 ( -4.081 5.698 0.000) 7.009 3.251 ( -3.726 1.237 0.000) 3.925 3.401 ( -4.312 0.683 0.000) 4.366 4.071 ( 1.276 0.661 0.000) 1.437 4.079 ( 1.233 0.057 0.000) 1.235 4.137 ( -1.862 -0.090 0.000) 1.864 4.147 ( -2.294 0.242 0.000) 2.307 4.347 ( -1.935 0.665 0.000) 2.047 4.508 ( 1.466 -5.406 0.000) 5.601 4.551 ( -0.062 0.769 0.000) 0.772 4.613 ( -1.693 -0.178 0.000) 1.702 4.703 ( 0.358 -1.519 0.000) 1.560 4.800 ( -0.200 -1.745 0.000) 1.756 4.876 ( 0.657 2.927 0.000) 3.000 4.968 ( -1.879 1.008 0.000) 2.133 5.041 ( -5.752 -0.236 0.000) 5.757 5.158 ( -4.146 0.519 0.000) 4.179 5.271 ( 0.022 -4.056 0.000) 4.057 5.387 ( 3.727 -1.279 0.000) 3.940 5.440 ( 5.715 -0.712 0.000) 5.759 5.478 ( 4.075 -0.175 0.000) 4.078 5.634 ( 1.085 -0.366 0.000) 1.145 5.717 ( 4.741 0.231 0.000) 4.746 5.759 ( -0.317 -2.327 0.000) 2.348 5.869 ( 3.434 0.047 0.000) 3.435 ======================= Grid point 21 (15/98) ======================= q-point: (-0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( -11.300 1.776 0.000) 11.438 1.453 ( -13.074 -7.316 0.000) 14.982 1.547 ( -2.735 0.030 0.000) 2.735 1.640 ( -6.386 -0.138 0.000) 6.388 1.658 ( -0.660 -1.787 0.000) 1.905 1.677 ( -1.425 -6.904 0.000) 7.049 1.763 ( -1.658 -2.869 0.000) 3.314 1.804 ( -3.918 1.758 0.000) 4.294 1.841 ( -1.105 -0.310 0.000) 1.148 1.902 ( -7.288 -4.903 0.000) 8.784 1.984 ( 3.531 1.675 0.000) 3.908 2.055 ( -1.383 -4.892 0.000) 5.084 2.258 ( 1.778 4.631 0.000) 4.960 2.335 ( 4.418 -6.008 0.000) 7.458 2.463 ( -6.917 4.424 0.000) 8.211 2.595 ( -2.092 1.600 0.000) 2.634 2.653 ( 3.288 1.920 0.000) 3.807 2.691 ( -4.789 2.233 0.000) 5.284 2.771 ( -8.025 0.637 0.000) 8.051 2.838 ( -1.493 -0.476 0.000) 1.567 2.881 ( -4.873 1.251 0.000) 5.031 2.941 ( -7.096 0.863 0.000) 7.148 2.952 ( -9.438 6.469 0.000) 11.442 2.963 ( -0.809 -0.732 0.000) 1.091 3.154 ( -1.937 2.990 0.000) 3.562 3.373 ( -0.572 -0.467 0.000) 0.739 4.073 ( -2.958 0.596 0.000) 3.018 4.091 ( -3.480 0.090 0.000) 3.481 4.113 ( 1.893 0.806 0.000) 2.057 4.122 ( 3.336 -0.091 0.000) 3.337 4.366 ( 3.777 0.177 0.000) 3.781 4.542 ( -0.949 -4.442 0.000) 4.542 4.556 ( 1.476 2.331 0.000) 2.760 4.611 ( 1.343 -0.678 0.000) 1.505 4.754 ( 3.011 -0.871 0.000) 3.134 4.823 ( 2.187 -2.314 0.000) 3.184 4.825 ( -4.485 2.893 0.000) 5.338 4.907 ( -3.668 0.248 0.000) 3.676 4.959 ( -2.804 -0.258 0.000) 2.816 5.079 ( -3.918 0.616 0.000) 3.966 5.309 ( 1.079 -5.894 0.000) 5.992 5.460 ( 3.161 -2.503 0.000) 4.032 5.537 ( 2.020 -0.161 0.000) 2.026 5.545 ( 5.151 -0.741 0.000) 5.204 5.650 ( 0.223 -0.391 0.000) 0.450 5.771 ( -0.271 -3.614 0.000) 3.624 5.808 ( 5.137 0.588 0.000) 5.170 5.933 ( 3.411 0.851 0.000) 3.516 ======================= Grid point 22 (16/98) ======================= q-point: (-0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -13.369 3.617 0.000) 13.849 1.188 ( -18.051 -4.694 0.000) 18.651 1.468 ( -5.199 1.491 0.000) 5.409 1.483 ( -10.234 0.785 0.000) 10.264 1.654 ( -0.945 -3.677 0.000) 3.796 1.691 ( -0.651 -1.146 0.000) 1.318 1.720 ( -10.880 -5.173 0.000) 12.047 1.748 ( -2.928 -3.621 0.000) 4.656 1.757 ( -0.408 0.852 0.000) 0.944 1.873 ( 1.290 -0.995 0.000) 1.629 2.045 ( 2.983 0.425 0.000) 3.013 2.070 ( -0.601 -3.039 0.000) 3.098 2.142 ( -16.449 10.136 0.000) 19.322 2.259 ( -7.548 0.434 0.000) 7.560 2.362 ( -6.071 -2.619 0.000) 6.612 2.448 ( -17.479 -1.041 0.000) 17.510 2.518 ( -7.613 1.993 0.000) 7.869 2.642 ( -5.336 1.023 0.000) 5.433 2.673 ( 0.091 1.850 0.000) 1.852 2.743 ( -1.643 -2.135 0.000) 2.694 2.775 ( -3.745 4.239 0.000) 5.657 2.887 ( -1.252 0.032 0.000) 1.252 2.924 ( 5.384 -2.673 0.000) 6.011 2.964 ( -0.182 -0.266 0.000) 0.322 3.129 ( -0.089 1.477 0.000) 1.480 3.362 ( -0.354 0.456 0.000) 0.577 3.993 ( -5.381 -0.165 0.000) 5.384 4.024 ( -3.822 -0.466 0.000) 3.850 4.162 ( 3.266 1.348 0.000) 3.533 4.191 ( 3.539 -0.341 0.000) 3.556 4.444 ( 3.698 1.490 0.000) 3.987 4.517 ( -3.562 -1.442 0.000) 3.842 4.564 ( 0.541 3.974 0.000) 4.011 4.622 ( -4.777 1.115 0.000) 4.906 4.735 ( 0.921 -1.348 0.000) 1.632 4.791 ( 0.413 -2.104 0.000) 2.144 4.833 ( -2.070 -1.224 0.000) 2.405 4.901 ( 1.403 -1.117 0.000) 1.794 4.985 ( 7.062 0.324 0.000) 7.070 5.013 ( -2.862 0.422 0.000) 2.893 5.359 ( 0.762 -4.593 0.000) 4.656 5.533 ( 2.638 -3.843 0.000) 4.662 5.556 ( -0.081 -1.821 0.000) 1.823 5.635 ( 4.097 -0.361 0.000) 4.113 5.642 ( -1.085 -0.175 0.000) 1.099 5.785 ( -0.476 -4.353 0.000) 4.379 5.897 ( 5.148 1.462 0.000) 5.352 5.981 ( 2.692 2.379 0.000) 3.592 ======================= Grid point 23 (17/98) ======================= q-point: (-0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( -14.697 6.176 0.000) 15.942 0.850 ( -19.418 0.147 0.000) 19.419 1.268 ( -10.914 3.680 0.000) 11.517 1.357 ( -6.191 1.453 0.000) 6.359 1.557 ( -9.058 -4.500 0.000) 10.114 1.593 ( -18.537 8.655 0.000) 20.458 1.607 ( -13.451 9.142 0.000) 16.264 1.670 ( 0.297 -3.863 0.000) 3.874 1.747 ( -1.417 -0.690 0.000) 1.576 1.759 ( -5.845 -1.309 0.000) 5.990 1.918 ( 0.809 -2.602 0.000) 2.725 1.989 ( -10.466 -1.103 0.000) 10.523 2.051 ( -5.937 -3.420 0.000) 6.852 2.142 ( -3.849 -5.104 0.000) 6.393 2.195 ( -7.430 -2.215 0.000) 7.753 2.241 ( -5.870 -1.650 0.000) 6.098 2.348 ( -6.357 5.264 0.000) 8.253 2.516 ( -8.710 -2.893 0.000) 9.178 2.616 ( -3.846 4.431 0.000) 5.867 2.737 ( 1.820 2.769 0.000) 3.314 2.822 ( 4.321 -3.719 0.000) 5.701 2.874 ( 0.224 -0.615 0.000) 0.655 2.958 ( -0.142 0.662 0.000) 0.677 3.058 ( 6.003 -2.586 0.000) 6.537 3.132 ( 0.747 -1.313 0.000) 1.510 3.361 ( 0.754 1.604 0.000) 1.772 3.845 ( -12.183 -0.886 0.000) 12.216 3.951 ( -4.807 -1.804 0.000) 5.134 4.204 ( 1.280 0.427 0.000) 1.349 4.243 ( 1.335 -1.636 0.000) 2.111 4.370 ( -7.747 2.634 0.000) 8.182 4.475 ( -2.875 1.348 0.000) 3.175 4.516 ( -4.270 0.682 0.000) 4.325 4.541 ( 0.982 1.766 0.000) 2.021 4.788 ( -0.965 -1.977 0.000) 2.199 4.845 ( 6.171 -3.406 0.000) 7.048 4.867 ( 3.545 -3.044 0.000) 4.672 4.941 ( 2.666 -1.193 0.000) 2.921 4.973 ( -0.895 0.622 0.000) 1.090 5.142 ( 9.272 2.921 0.000) 9.722 5.369 ( -1.275 -0.688 0.000) 1.449 5.533 ( -1.627 0.462 0.000) 1.692 5.612 ( 0.429 -3.943 0.000) 3.966 5.631 ( 0.748 -4.806 0.000) 4.864 5.693 ( 1.918 -0.125 0.000) 1.922 5.805 ( 0.524 -4.196 0.000) 4.229 5.987 ( 5.769 2.690 0.000) 6.366 6.009 ( 2.108 3.958 0.000) 4.484 ======================= Grid point 24 (18/98) ======================= q-point: (-0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.453 ( -13.963 10.559 0.000) 17.506 0.485 ( -16.247 9.649 0.000) 18.896 0.964 ( -30.251 22.572 0.000) 37.744 1.066 ( -7.446 5.877 0.000) 9.486 1.209 ( -8.446 2.813 0.000) 8.902 1.383 ( -10.648 1.950 0.000) 10.825 1.485 ( -1.833 -5.066 0.000) 5.388 1.680 ( -2.949 -1.404 0.000) 3.266 1.708 ( -0.842 -2.179 0.000) 2.336 1.713 ( -8.956 -5.483 0.000) 10.500 1.758 ( -5.731 0.426 0.000) 5.747 1.935 ( -5.479 -10.022 0.000) 11.422 1.956 ( 0.512 -1.012 0.000) 1.134 2.141 ( 0.583 -1.131 0.000) 1.273 2.162 ( -0.763 -1.924 0.000) 2.070 2.214 ( 1.270 -0.478 0.000) 1.357 2.242 ( -1.243 8.141 0.000) 8.235 2.363 ( -8.413 -1.738 0.000) 8.591 2.544 ( -2.271 -1.725 0.000) 2.852 2.761 ( 1.601 2.156 0.000) 2.686 2.853 ( 0.080 -0.461 0.000) 0.468 2.919 ( 0.624 -1.602 0.000) 1.719 2.977 ( 2.754 -1.551 0.000) 3.160 3.114 ( 1.120 3.040 0.000) 3.239 3.206 ( 3.501 -6.790 0.000) 7.639 3.366 ( 0.698 2.605 0.000) 2.697 3.556 ( -16.699 -0.258 0.000) 16.701 3.857 ( -8.679 -6.925 0.000) 11.103 4.189 ( -2.379 -0.974 0.000) 2.570 4.254 ( -3.736 -7.343 0.000) 8.238 4.289 ( 0.555 3.233 0.000) 3.280 4.406 ( -3.204 1.399 0.000) 3.496 4.409 ( -8.010 -4.098 0.000) 8.997 4.562 ( 1.655 3.011 0.000) 3.436 4.778 ( -1.264 -0.904 0.000) 1.554 4.922 ( 0.182 -1.785 0.000) 1.794 4.960 ( 3.726 -3.445 0.000) 5.074 5.003 ( 3.872 -0.894 0.000) 3.974 5.005 ( 3.084 -1.390 0.000) 3.383 5.264 ( 4.846 3.671 0.000) 6.080 5.346 ( 2.087 5.122 0.000) 5.531 5.492 ( -2.233 0.392 0.000) 2.267 5.615 ( 0.099 -0.326 0.000) 0.341 5.687 ( -0.803 -8.551 0.000) 8.589 5.711 ( 0.174 -0.287 0.000) 0.335 5.846 ( 1.242 -3.603 0.000) 3.811 6.017 ( 1.226 4.782 0.000) 4.937 6.086 ( 6.989 3.955 0.000) 8.030 ======================= Grid point 25 (19/98) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.199 ( 0.000 18.507 0.000) 18.507 0.272 ( 0.000 25.587 0.000) 25.587 0.364 ( 0.000 34.306 0.000) 34.306 0.960 ( 0.000 5.551 0.000) 5.551 1.089 ( 0.000 3.118 0.000) 3.118 1.265 ( 0.000 0.462 0.000) 0.462 1.530 ( -0.000 -0.646 0.000) 0.646 1.558 ( -0.000 -6.486 0.000) 6.486 1.647 ( -0.000 -0.984 0.000) 0.984 1.717 ( -0.000 -1.549 0.000) 1.549 1.743 ( -0.000 -0.109 0.000) 0.109 1.953 ( -0.000 -11.624 0.000) 11.624 1.969 ( -0.000 -0.388 0.000) 0.388 2.157 ( 0.000 3.188 0.000) 3.188 2.157 ( 0.000 0.639 0.000) 0.639 2.197 ( 0.000 6.998 0.000) 6.998 2.232 ( -0.000 -0.525 0.000) 0.525 2.274 ( -0.000 -2.024 0.000) 2.024 2.567 ( -0.000 -6.080 0.000) 6.080 2.766 ( 0.000 1.950 0.000) 1.950 2.858 ( -0.000 -0.441 0.000) 0.441 2.921 ( 0.000 0.454 0.000) 0.454 3.025 ( -0.000 -3.038 0.000) 3.038 3.108 ( 0.000 4.802 0.000) 4.802 3.278 ( -0.000 -5.844 0.000) 5.844 3.353 ( 0.000 0.370 0.000) 0.370 3.371 ( 0.000 0.255 0.000) 0.255 3.583 ( -0.000 -0.833 0.000) 0.833 4.120 ( -0.000 -0.414 0.000) 0.414 4.166 ( -0.000 -0.242 0.000) 0.242 4.301 ( 0.000 0.040 0.000) 0.040 4.344 ( -0.000 -0.139 0.000) 0.139 4.354 ( 0.000 3.123 0.000) 3.123 4.563 ( 0.000 2.399 0.000) 2.399 4.753 ( 0.000 1.443 0.000) 1.443 4.925 ( -0.000 -0.708 0.000) 0.708 5.010 ( -0.000 -3.009 0.000) 3.009 5.048 ( -0.000 -0.854 0.000) 0.854 5.052 ( -0.000 -1.280 0.000) 1.280 5.284 ( 0.000 3.180 0.000) 3.180 5.432 ( 0.000 0.083 0.000) 0.083 5.466 ( 0.000 0.080 0.000) 0.080 5.618 ( -0.000 -0.246 0.000) 0.246 5.660 ( -0.000 -1.986 0.000) 1.986 5.713 ( -0.000 -0.243 0.000) 0.243 5.877 ( -0.000 -3.403 0.000) 3.403 6.003 ( 0.000 4.551 0.000) 4.551 6.200 ( -0.000 -0.808 0.000) 0.808 ======================= Grid point 28 (20/98) ======================= q-point: ( 0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 13.103 0.000 0.000) 13.103 1.536 ( 4.369 0.000 0.000) 4.369 1.637 ( 3.496 0.000 0.000) 3.496 1.643 ( 14.652 0.000 0.000) 14.652 1.703 ( -1.427 -0.000 0.000) 1.427 1.726 ( 4.635 0.000 0.000) 4.635 1.757 ( 7.065 0.000 0.000) 7.065 1.845 ( -0.731 -0.000 0.000) 0.731 1.868 ( -3.974 -0.000 0.000) 3.974 1.959 ( -4.330 -0.000 0.000) 4.330 2.021 ( 9.375 0.000 0.000) 9.375 2.033 ( 4.029 0.000 0.000) 4.029 2.305 ( 13.912 0.000 0.000) 13.912 2.416 ( 0.679 0.000 0.000) 0.679 2.483 ( -5.731 -0.000 0.000) 5.731 2.530 ( 5.367 0.000 0.000) 5.367 2.561 ( -3.022 -0.000 0.000) 3.022 2.605 ( 0.769 0.000 0.000) 0.769 2.741 ( -6.489 -0.000 0.000) 6.489 2.839 ( 7.757 0.000 0.000) 7.757 2.844 ( 10.567 0.000 0.000) 10.567 2.860 ( 4.638 0.000 0.000) 4.638 2.931 ( 4.763 0.000 0.000) 4.763 2.977 ( 0.175 0.000 0.000) 0.175 3.116 ( 0.581 0.000 0.000) 0.581 3.377 ( 1.228 0.000 0.000) 1.228 4.072 ( 3.726 0.000 0.000) 3.726 4.090 ( -1.961 -0.000 0.000) 1.961 4.097 ( 3.152 0.000 0.000) 3.152 4.120 ( -3.299 -0.000 0.000) 3.299 4.361 ( -2.274 -0.000 0.000) 2.274 4.507 ( 0.753 0.000 0.000) 0.753 4.601 ( -0.235 -0.000 0.000) 0.235 4.656 ( 2.348 0.000 0.000) 2.348 4.754 ( 1.657 0.000 0.000) 1.657 4.766 ( -3.460 -0.000 0.000) 3.460 4.849 ( -0.456 -0.000 0.000) 0.456 4.912 ( 1.395 0.000 0.000) 1.395 4.965 ( 3.026 0.000 0.000) 3.026 5.069 ( 3.832 0.000 0.000) 3.832 5.381 ( -2.179 -0.000 0.000) 2.179 5.516 ( -2.048 -0.000 0.000) 2.048 5.557 ( -4.982 -0.000 0.000) 4.982 5.598 ( -5.100 -0.000 0.000) 5.100 5.691 ( -0.960 -0.000 0.000) 0.960 5.746 ( -3.853 -0.000 0.000) 3.853 5.865 ( -2.217 -0.000 0.000) 2.217 5.895 ( -0.895 -0.000 0.000) 0.895 ======================= Grid point 29 (21/98) ======================= q-point: ( 0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 10.465 0.024 0.000) 10.465 1.593 ( 1.762 0.050 0.000) 1.762 1.655 ( -0.440 0.121 0.000) 0.456 1.692 ( 0.340 -0.333 0.000) 0.476 1.753 ( 0.266 1.320 0.000) 1.347 1.793 ( 1.156 4.000 0.000) 4.164 1.817 ( -0.103 -0.011 0.000) 0.104 1.835 ( -2.155 -0.190 0.000) 2.163 1.907 ( 4.451 -3.259 0.000) 5.516 1.951 ( 5.352 -0.233 0.000) 5.357 2.117 ( 3.396 2.663 0.000) 4.316 2.128 ( 3.445 0.820 0.000) 3.541 2.336 ( -5.791 9.139 0.000) 10.819 2.352 ( -7.080 1.493 0.000) 7.236 2.439 ( -1.850 -7.522 0.000) 7.746 2.512 ( 1.326 -3.145 0.000) 3.413 2.601 ( 2.156 -0.397 0.000) 2.192 2.605 ( -1.340 -2.220 0.000) 2.593 2.715 ( 3.195 -0.802 0.000) 3.294 2.903 ( 1.134 -0.219 0.000) 1.155 2.950 ( 4.313 2.099 0.000) 4.797 2.972 ( -0.517 0.412 0.000) 0.661 3.048 ( 8.009 -0.551 0.000) 8.028 3.049 ( 6.188 -0.859 0.000) 6.247 3.170 ( 6.350 -1.597 0.000) 6.548 3.393 ( 0.449 -0.001 0.000) 0.449 4.065 ( -0.740 0.062 0.000) 0.743 4.078 ( -1.191 0.001 0.000) 1.191 4.139 ( 3.250 -0.025 0.000) 3.250 4.150 ( 2.500 0.085 0.000) 2.502 4.334 ( -0.537 -0.107 0.000) 0.548 4.527 ( 1.085 -0.269 0.000) 1.118 4.616 ( 1.832 0.073 0.000) 1.833 4.671 ( 0.037 3.222 0.000) 3.222 4.729 ( -0.226 0.172 0.000) 0.285 4.761 ( -1.464 -2.876 0.000) 3.227 4.833 ( -1.134 0.215 0.000) 1.154 4.955 ( 2.445 -0.021 0.000) 2.445 5.047 ( 5.516 0.056 0.000) 5.517 5.146 ( 4.475 -0.112 0.000) 4.476 5.329 ( -3.190 0.224 0.000) 3.198 5.455 ( -5.952 0.134 0.000) 5.954 5.464 ( -3.542 1.023 0.000) 3.687 5.487 ( -5.842 0.401 0.000) 5.856 5.659 ( -1.861 1.226 0.000) 2.229 5.682 ( -3.586 -1.499 0.000) 3.887 5.822 ( -2.074 0.781 0.000) 2.216 5.863 ( -2.416 -0.211 0.000) 2.425 ======================= Grid point 30 (22/98) ======================= q-point: ( 0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 0.901 1.027 0.000) 1.366 1.635 ( -0.311 -0.111 0.000) 0.330 1.648 ( 6.118 0.948 0.000) 6.191 1.696 ( -0.617 -1.889 0.000) 1.987 1.731 ( -2.884 7.305 0.000) 7.853 1.752 ( -1.342 0.242 0.000) 1.364 1.784 ( -2.270 -0.215 0.000) 2.280 1.815 ( -0.960 0.680 0.000) 1.176 1.962 ( -0.331 -4.473 0.000) 4.486 2.046 ( 3.662 -0.338 0.000) 3.677 2.078 ( -3.110 -0.222 0.000) 3.118 2.143 ( -1.613 4.611 0.000) 4.885 2.221 ( -6.091 1.197 0.000) 6.208 2.238 ( -3.303 -2.820 0.000) 4.343 2.459 ( 3.347 -3.074 0.000) 4.545 2.554 ( 0.146 1.129 0.000) 1.139 2.617 ( 0.883 -4.631 0.000) 4.715 2.623 ( 0.424 -0.215 0.000) 0.475 2.783 ( 3.954 0.079 0.000) 3.955 2.921 ( 0.720 -0.282 0.000) 0.773 2.958 ( -0.735 0.459 0.000) 0.866 2.982 ( 1.288 4.287 0.000) 4.477 3.145 ( 3.843 -0.732 0.000) 3.912 3.150 ( 3.882 -0.835 0.000) 3.971 3.305 ( 3.895 2.257 0.000) 4.502 3.415 ( 2.469 -3.709 0.000) 4.455 4.059 ( 0.046 0.257 0.000) 0.261 4.070 ( 0.101 0.132 0.000) 0.166 4.178 ( 0.987 0.806 0.000) 1.275 4.181 ( 0.763 0.216 0.000) 0.793 4.346 ( 1.212 -1.747 0.000) 2.126 4.544 ( 0.432 -0.384 0.000) 0.578 4.583 ( -4.661 3.404 0.000) 5.771 4.675 ( 0.065 -0.676 0.000) 0.679 4.746 ( 1.399 0.136 0.000) 1.405 4.769 ( 2.532 -1.579 0.000) 2.984 4.809 ( -1.238 -0.075 0.000) 1.240 4.979 ( 0.101 0.325 0.000) 0.340 5.156 ( 6.036 0.014 0.000) 6.036 5.234 ( 4.915 -0.116 0.000) 4.916 5.259 ( -4.580 0.054 0.000) 4.580 5.342 ( -5.889 0.161 0.000) 5.891 5.384 ( -3.218 1.087 0.000) 3.396 5.398 ( -3.808 -0.063 0.000) 3.809 5.625 ( -1.139 0.281 0.000) 1.174 5.637 ( -1.352 -0.431 0.000) 1.419 5.783 ( -1.810 0.275 0.000) 1.831 5.823 ( -1.416 0.157 0.000) 1.424 ======================= Grid point 31 (23/98) ======================= q-point: (-0.62 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( -6.744 3.332 0.000) 7.522 1.591 ( -1.763 0.113 0.000) 1.766 1.622 ( -5.303 -0.396 0.000) 5.318 1.670 ( 2.150 1.589 0.000) 2.674 1.730 ( 0.361 -0.722 0.000) 0.807 1.739 ( -2.610 -2.015 0.000) 3.297 1.783 ( -0.855 0.728 0.000) 1.123 1.798 ( 3.895 0.237 0.000) 3.902 1.939 ( -4.842 -4.371 0.000) 6.523 2.009 ( -5.239 -2.966 0.000) 6.020 2.072 ( -2.180 0.559 0.000) 2.250 2.131 ( -2.064 -1.790 0.000) 2.732 2.139 ( -1.970 0.289 0.000) 1.991 2.187 ( 2.333 1.068 0.000) 2.566 2.529 ( 0.085 -0.306 0.000) 0.317 2.570 ( 3.399 1.584 0.000) 3.750 2.630 ( 0.332 -0.010 0.000) 0.333 2.653 ( 1.458 -6.700 0.000) 6.857 2.858 ( 4.047 2.586 0.000) 4.803 2.933 ( 0.524 -0.302 0.000) 0.605 2.941 ( -0.795 0.368 0.000) 0.876 2.962 ( -0.877 4.446 0.000) 4.532 3.191 ( 0.135 0.373 0.000) 0.397 3.211 ( 2.260 -1.356 0.000) 2.636 3.289 ( -1.010 6.101 0.000) 6.184 3.473 ( -0.642 -2.850 0.000) 2.921 4.062 ( 0.577 0.429 0.000) 0.719 4.072 ( 0.130 0.225 0.000) 0.260 4.170 ( -1.118 0.999 0.000) 1.499 4.179 ( -0.715 0.269 0.000) 0.764 4.386 ( 1.084 -3.006 0.000) 3.195 4.466 ( -5.409 1.275 0.000) 5.557 4.548 ( 0.057 -0.345 0.000) 0.350 4.648 ( -2.541 -1.024 0.000) 2.740 4.733 ( -3.238 -0.359 0.000) 3.258 4.791 ( -0.967 -0.864 0.000) 1.297 4.854 ( 4.906 1.119 0.000) 5.032 4.983 ( 1.107 0.746 0.000) 1.335 5.155 ( -6.371 -0.035 0.000) 6.371 5.242 ( -4.671 0.150 0.000) 4.673 5.244 ( 1.333 -0.610 0.000) 1.466 5.322 ( -0.557 -0.737 0.000) 0.924 5.329 ( 5.282 -0.232 0.000) 5.287 5.401 ( 3.101 0.066 0.000) 3.102 5.615 ( 0.216 -0.156 0.000) 0.267 5.649 ( 2.409 0.063 0.000) 2.410 5.753 ( -1.467 -0.652 0.000) 1.605 5.821 ( 1.361 0.069 0.000) 1.363 ======================= Grid point 32 (24/98) ======================= q-point: (-0.54 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( -4.792 -4.498 0.000) 6.572 1.494 ( -8.146 0.590 0.000) 8.167 1.563 ( -1.643 -1.404 0.000) 2.161 1.659 ( -7.491 -5.485 0.000) 9.284 1.668 ( -0.784 1.323 0.000) 1.538 1.733 ( -1.819 0.482 0.000) 1.882 1.776 ( -0.951 0.161 0.000) 0.965 1.852 ( 1.154 0.275 0.000) 1.186 1.858 ( -3.496 -1.355 0.000) 3.749 1.934 ( -5.803 -5.101 0.000) 7.727 2.001 ( -2.120 2.283 0.000) 3.115 2.062 ( -4.515 -2.295 0.000) 5.065 2.162 ( 2.681 -5.182 0.000) 5.834 2.283 ( 7.259 7.368 0.000) 10.343 2.509 ( -1.828 -2.273 0.000) 2.917 2.619 ( 3.142 1.121 0.000) 3.336 2.632 ( -0.193 0.502 0.000) 0.538 2.739 ( 2.657 -4.044 0.000) 4.839 2.865 ( -2.185 3.461 0.000) 4.093 2.906 ( -3.011 3.207 0.000) 4.399 2.923 ( -0.983 0.345 0.000) 1.042 2.944 ( 0.397 -0.420 0.000) 0.578 3.136 ( -5.955 1.682 0.000) 6.188 3.191 ( -3.362 4.631 0.000) 5.722 3.263 ( -1.183 1.736 0.000) 2.100 3.407 ( -5.310 0.400 0.000) 5.325 4.078 ( 1.501 0.680 0.000) 1.648 4.079 ( 1.010 -0.030 0.000) 1.011 4.138 ( -1.795 0.322 0.000) 1.823 4.152 ( -1.945 0.708 0.000) 2.070 4.355 ( -2.478 0.748 0.000) 2.588 4.453 ( 1.093 -4.824 0.000) 4.946 4.556 ( 0.616 -0.035 0.000) 0.617 4.612 ( -1.406 -0.140 0.000) 1.413 4.687 ( -0.360 -1.293 0.000) 1.342 4.782 ( -0.714 -1.666 0.000) 1.813 4.902 ( 0.718 2.049 0.000) 2.171 4.980 ( -1.611 1.269 0.000) 2.051 5.039 ( -5.817 -0.182 0.000) 5.820 5.163 ( -3.930 0.460 0.000) 3.957 5.227 ( -1.698 -3.898 0.000) 4.252 5.379 ( 3.801 -0.433 0.000) 3.826 5.432 ( 5.510 -0.662 0.000) 5.550 5.476 ( 4.182 -0.120 0.000) 4.184 5.630 ( 1.074 -0.238 0.000) 1.100 5.717 ( 4.621 -0.091 0.000) 4.622 5.737 ( -0.941 -1.837 0.000) 2.064 5.869 ( 3.583 -0.011 0.000) 3.583 ======================= Grid point 33 (25/98) ======================= q-point: (-0.46 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( -10.186 2.167 0.000) 10.414 1.386 ( -11.142 -5.215 0.000) 12.302 1.541 ( -1.830 -1.258 0.000) 2.221 1.592 ( -1.781 -8.595 0.000) 8.778 1.637 ( -4.963 -0.324 0.000) 4.974 1.645 ( -4.300 -0.637 0.000) 4.347 1.742 ( -1.925 -1.598 0.000) 2.502 1.817 ( -7.859 -4.184 0.000) 8.904 1.817 ( -3.642 0.676 0.000) 3.704 1.866 ( 0.494 -2.146 0.000) 2.202 2.006 ( 3.061 2.408 0.000) 3.895 2.006 ( -3.205 -3.167 0.000) 4.506 2.274 ( 5.255 -5.516 0.000) 7.618 2.328 ( 1.338 7.546 0.000) 7.664 2.491 ( -3.392 0.872 0.000) 3.502 2.609 ( -1.946 1.118 0.000) 2.245 2.676 ( 3.988 1.916 0.000) 4.424 2.703 ( -5.879 0.642 0.000) 5.914 2.782 ( -9.641 1.310 0.000) 9.729 2.834 ( -0.236 -0.371 0.000) 0.439 2.894 ( -3.197 1.086 0.000) 3.376 2.952 ( -2.940 0.492 0.000) 2.981 2.957 ( -7.313 0.344 0.000) 7.321 3.018 ( -11.951 5.915 0.000) 13.335 3.189 ( -2.381 3.217 0.000) 4.003 3.367 ( -0.274 -0.590 0.000) 0.650 4.082 ( -3.227 0.996 0.000) 3.377 4.094 ( -2.977 0.444 0.000) 3.009 4.120 ( 2.452 0.564 0.000) 2.516 4.121 ( 2.591 0.023 0.000) 2.591 4.368 ( 4.128 0.150 0.000) 4.131 4.493 ( 0.017 -4.782 0.000) 4.782 4.578 ( 2.340 1.675 0.000) 2.878 4.605 ( 0.687 -0.495 0.000) 0.847 4.743 ( 3.573 -1.358 0.000) 3.822 4.794 ( 2.080 -3.004 0.000) 3.654 4.853 ( -4.767 2.435 0.000) 5.353 4.912 ( -4.772 0.588 0.000) 4.808 4.957 ( -2.824 -0.143 0.000) 2.828 5.086 ( -4.006 0.660 0.000) 4.060 5.243 ( 0.378 -6.181 0.000) 6.192 5.443 ( 2.803 -0.931 0.000) 2.954 5.536 ( 5.187 -0.907 0.000) 5.265 5.537 ( 2.160 0.144 0.000) 2.164 5.647 ( 0.340 -0.212 0.000) 0.401 5.736 ( -0.655 -2.941 0.000) 3.013 5.810 ( 5.096 -0.185 0.000) 5.100 5.940 ( 3.940 0.561 0.000) 3.980 ======================= Grid point 34 (26/98) ======================= q-point: (-0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( -11.765 4.406 0.000) 12.563 1.157 ( -14.240 -0.737 0.000) 14.259 1.483 ( -5.280 1.276 0.000) 5.432 1.491 ( -8.381 0.756 0.000) 8.415 1.611 ( -1.868 -4.388 0.000) 4.769 1.627 ( -0.805 -7.917 0.000) 7.958 1.660 ( -10.682 -5.798 0.000) 12.154 1.746 ( 0.996 -0.804 0.000) 1.279 1.760 ( -1.910 -0.246 0.000) 1.926 1.881 ( -0.503 2.805 0.000) 2.849 1.992 ( -1.169 -9.270 0.000) 9.344 2.051 ( 2.170 0.851 0.000) 2.330 2.235 ( -10.088 6.992 0.000) 12.274 2.300 ( -11.536 5.340 0.000) 12.712 2.333 ( -4.559 -2.838 0.000) 5.370 2.458 ( -19.177 3.516 0.000) 19.496 2.538 ( -6.322 1.840 0.000) 6.585 2.630 ( -7.968 -2.616 0.000) 8.386 2.706 ( 0.125 3.828 0.000) 3.830 2.728 ( -4.284 -0.532 0.000) 4.317 2.812 ( -1.602 2.542 0.000) 3.005 2.888 ( -1.255 0.036 0.000) 1.256 2.900 ( 3.389 -1.460 0.000) 3.690 2.961 ( 0.195 -0.372 0.000) 0.420 3.143 ( -1.577 1.105 0.000) 1.926 3.366 ( 0.107 0.193 0.000) 0.220 3.992 ( -5.955 0.142 0.000) 5.957 4.023 ( -4.081 0.348 0.000) 4.096 4.174 ( 3.086 0.836 0.000) 3.197 4.184 ( 2.901 -1.145 0.000) 3.119 4.454 ( 2.381 0.310 0.000) 2.401 4.505 ( 1.196 -0.600 0.000) 1.338 4.607 ( 1.101 3.956 0.000) 4.106 4.628 ( -2.104 -0.075 0.000) 2.105 4.726 ( -3.778 -0.211 0.000) 3.784 4.769 ( -0.693 -2.005 0.000) 2.122 4.817 ( -3.847 -1.747 0.000) 4.225 4.890 ( 2.590 -0.993 0.000) 2.774 4.981 ( 7.482 -1.079 0.000) 7.559 5.017 ( -2.952 0.383 0.000) 2.977 5.299 ( 1.901 -6.035 0.000) 6.328 5.495 ( 1.862 -2.446 0.000) 3.074 5.555 ( 0.005 0.317 0.000) 0.317 5.630 ( 4.340 -0.573 0.000) 4.378 5.641 ( -1.021 -0.098 0.000) 1.025 5.742 ( -0.491 -3.620 0.000) 3.654 5.905 ( 5.262 0.139 0.000) 5.263 6.003 ( 3.478 1.826 0.000) 3.929 ======================= Grid point 35 (27/98) ======================= q-point: (-0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( -12.221 7.633 0.000) 14.409 0.886 ( -12.902 6.737 0.000) 14.555 1.308 ( -9.089 3.679 0.000) 9.805 1.373 ( -5.989 1.457 0.000) 6.164 1.499 ( -8.825 -5.622 0.000) 10.464 1.623 ( 0.124 -4.984 0.000) 4.985 1.629 ( -6.587 -3.645 0.000) 7.528 1.676 ( -6.861 5.882 0.000) 9.037 1.734 ( -2.082 -1.704 0.000) 2.691 1.837 ( -19.577 13.530 0.000) 23.798 1.886 ( -0.382 -2.518 0.000) 2.546 1.978 ( -12.078 -1.289 0.000) 12.147 2.021 ( -9.809 -2.127 0.000) 10.037 2.077 ( -3.160 -6.693 0.000) 7.402 2.168 ( -6.790 -2.778 0.000) 7.336 2.229 ( -5.707 -0.033 0.000) 5.707 2.403 ( -4.640 4.983 0.000) 6.809 2.471 ( -10.354 -5.471 0.000) 11.711 2.665 ( -3.132 4.442 0.000) 5.435 2.772 ( 0.723 3.825 0.000) 3.892 2.782 ( 4.577 -3.565 0.000) 5.801 2.870 ( -0.503 -0.149 0.000) 0.525 2.965 ( 0.316 0.494 0.000) 0.586 3.022 ( 5.485 -4.369 0.000) 7.012 3.122 ( -0.271 -0.444 0.000) 0.521 3.376 ( 1.330 1.098 0.000) 1.724 3.835 ( -12.389 -1.012 0.000) 12.430 3.933 ( -6.418 -1.595 0.000) 6.613 4.205 ( -0.007 -0.144 0.000) 0.144 4.220 ( -0.455 -2.689 0.000) 2.727 4.403 ( -5.113 3.456 0.000) 6.172 4.488 ( -5.048 0.959 0.000) 5.138 4.521 ( -7.851 0.340 0.000) 7.858 4.565 ( 3.206 2.553 0.000) 4.098 4.778 ( 1.341 0.148 0.000) 1.349 4.806 ( 5.768 -3.895 0.000) 6.960 4.828 ( 2.351 -3.884 0.000) 4.540 4.935 ( 2.958 -0.237 0.000) 2.967 4.978 ( -0.972 0.246 0.000) 1.003 5.164 ( 10.125 1.104 0.000) 10.185 5.356 ( 1.526 -1.767 0.000) 2.335 5.535 ( -1.061 -1.502 0.000) 1.839 5.548 ( 0.909 -3.772 0.000) 3.880 5.619 ( -1.050 -0.319 0.000) 1.098 5.692 ( 1.830 -0.150 0.000) 1.836 5.764 ( 1.064 -3.636 0.000) 3.789 6.005 ( 5.846 0.928 0.000) 5.919 6.048 ( 2.847 3.514 0.000) 4.523 ======================= Grid point 36 (28/98) ======================= q-point: (-0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( -9.920 12.434 0.000) 15.906 0.639 ( -5.176 18.359 0.000) 19.075 1.135 ( -5.927 6.888 0.000) 9.088 1.212 ( -24.851 23.468 0.000) 34.180 1.242 ( -6.903 3.271 0.000) 7.639 1.406 ( -11.638 1.547 0.000) 11.741 1.429 ( -2.876 -4.129 0.000) 5.032 1.655 ( -9.024 -5.102 0.000) 10.366 1.656 ( -0.220 -3.327 0.000) 3.334 1.682 ( -3.593 -2.598 0.000) 4.434 1.765 ( -4.863 0.396 0.000) 4.879 1.832 ( -8.179 -9.170 0.000) 12.288 1.935 ( 0.757 -2.793 0.000) 2.893 2.105 ( 1.287 -5.554 0.000) 5.702 2.137 ( -1.102 -2.758 0.000) 2.970 2.202 ( 1.135 -1.982 0.000) 2.284 2.322 ( -8.609 -5.609 0.000) 10.275 2.322 ( -0.777 6.952 0.000) 6.995 2.564 ( -3.758 5.122 0.000) 6.353 2.786 ( 1.643 2.418 0.000) 2.923 2.845 ( 0.419 -1.216 0.000) 1.286 2.892 ( 1.823 -2.849 0.000) 3.382 2.973 ( 1.143 0.569 0.000) 1.277 3.115 ( 0.572 -8.915 0.000) 8.933 3.148 ( 3.628 2.032 0.000) 4.159 3.391 ( 0.640 2.101 0.000) 2.196 3.553 ( -16.053 -0.361 0.000) 16.057 3.779 ( -13.587 -7.185 0.000) 15.370 4.181 ( -1.869 -0.462 0.000) 1.925 4.186 ( -5.585 -4.875 0.000) 7.413 4.318 ( -1.840 1.945 0.000) 2.678 4.385 ( -5.777 -1.255 0.000) 5.911 4.430 ( -1.039 3.241 0.000) 3.404 4.598 ( 1.924 3.533 0.000) 4.023 4.787 ( 0.387 2.231 0.000) 2.265 4.898 ( 1.495 -2.600 0.000) 2.999 4.911 ( 2.962 -4.971 0.000) 5.787 4.992 ( 2.342 -1.253 0.000) 2.656 4.999 ( 3.417 -0.240 0.000) 3.425 5.300 ( 5.046 3.224 0.000) 5.988 5.387 ( 3.191 2.672 0.000) 4.162 5.497 ( -2.301 0.539 0.000) 2.364 5.601 ( 0.611 -6.455 0.000) 6.484 5.613 ( -0.182 -1.490 0.000) 1.501 5.707 ( 0.078 -0.447 0.000) 0.454 5.810 ( 1.573 -2.978 0.000) 3.368 6.068 ( 1.641 4.893 0.000) 5.161 6.111 ( 6.052 1.138 0.000) 6.158 ======================= Grid point 37 (29/98) ======================= q-point: (-0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.387 ( 0.000 17.188 0.000) 17.188 0.537 ( 0.000 24.458 0.000) 24.458 0.721 ( 0.000 33.275 0.000) 33.275 1.036 ( 0.000 8.333 0.000) 8.333 1.134 ( 0.000 5.001 0.000) 5.001 1.271 ( 0.000 0.815 0.000) 0.815 1.478 ( -0.000 -7.750 0.000) 7.750 1.519 ( -0.000 -1.437 0.000) 1.437 1.631 ( -0.000 -2.168 0.000) 2.168 1.695 ( -0.000 -2.543 0.000) 2.543 1.741 ( -0.000 -0.301 0.000) 0.301 1.825 ( -0.000 -12.546 0.000) 12.546 1.956 ( -0.000 -2.096 0.000) 2.096 2.140 ( -0.000 -2.568 0.000) 2.568 2.169 ( -0.000 -2.902 0.000) 2.902 2.224 ( -0.000 -1.064 0.000) 1.064 2.244 ( -0.000 -3.547 0.000) 3.547 2.282 ( 0.000 7.770 0.000) 7.770 2.520 ( -0.000 -0.801 0.000) 0.801 2.790 ( 0.000 2.499 0.000) 2.499 2.852 ( -0.000 -0.700 0.000) 0.700 2.920 ( -0.000 -1.229 0.000) 1.229 2.994 ( -0.000 -1.981 0.000) 1.981 3.154 ( 0.000 0.492 0.000) 0.492 3.200 ( -0.000 -5.632 0.000) 5.632 3.359 ( 0.000 0.634 0.000) 0.634 3.375 ( 0.000 0.446 0.000) 0.446 3.570 ( -0.000 -1.539 0.000) 1.539 4.115 ( -0.000 -0.547 0.000) 0.547 4.164 ( -0.000 -0.256 0.000) 0.256 4.300 ( -0.000 -0.105 0.000) 0.105 4.341 ( -0.000 -0.423 0.000) 0.423 4.398 ( 0.000 4.979 0.000) 4.979 4.597 ( 0.000 3.689 0.000) 3.689 4.775 ( 0.000 2.716 0.000) 2.716 4.915 ( -0.000 -1.282 0.000) 1.282 4.966 ( -0.000 -4.853 0.000) 4.853 5.033 ( -0.000 -2.292 0.000) 2.292 5.039 ( -0.000 -0.710 0.000) 0.710 5.326 ( 0.000 4.445 0.000) 4.445 5.433 ( 0.000 0.147 0.000) 0.147 5.467 ( 0.000 0.139 0.000) 0.139 5.615 ( -0.000 -0.427 0.000) 0.427 5.628 ( -0.000 -4.114 0.000) 4.114 5.709 ( -0.000 -0.434 0.000) 0.434 5.842 ( -0.000 -3.097 0.000) 3.097 6.056 ( 0.000 5.316 0.000) 5.316 6.189 ( -0.000 -1.161 0.000) 1.161 ======================= Grid point 42 (30/98) ======================= q-point: ( 0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 2.264 0.000 0.000) 2.264 1.634 ( -0.896 -0.000 0.000) 0.896 1.657 ( 6.529 0.000 0.000) 6.529 1.682 ( -1.701 -0.000 0.000) 1.701 1.747 ( -0.490 -0.000 0.000) 0.490 1.783 ( -2.159 -0.000 0.000) 2.159 1.787 ( -3.866 -0.000 0.000) 3.866 1.817 ( -1.045 -0.000 0.000) 1.045 1.929 ( -0.843 -0.000 0.000) 0.843 2.044 ( 3.594 0.000 0.000) 3.594 2.077 ( -3.754 -0.000 0.000) 3.754 2.192 ( -6.967 -0.000 0.000) 6.967 2.195 ( -0.829 -0.000 0.000) 0.829 2.228 ( -6.564 -0.000 0.000) 6.564 2.445 ( 6.108 0.000 0.000) 6.108 2.572 ( -1.124 -0.000 0.000) 1.124 2.579 ( 1.855 0.000 0.000) 1.855 2.622 ( 0.491 0.000 0.000) 0.491 2.784 ( 4.742 0.000 0.000) 4.742 2.919 ( 0.757 0.000 0.000) 0.757 2.960 ( -0.816 -0.000 0.000) 0.816 3.006 ( 0.959 0.000 0.000) 0.959 3.141 ( 3.713 0.000 0.000) 3.713 3.145 ( 4.235 0.000 0.000) 4.235 3.321 ( 8.178 0.000 0.000) 8.178 3.391 ( -0.639 -0.000 0.000) 0.639 4.060 ( 0.080 0.000 0.000) 0.080 4.071 ( 0.143 0.000 0.000) 0.143 4.182 ( 0.770 0.000 0.000) 0.770 4.183 ( 1.225 0.000 0.000) 1.225 4.336 ( 0.749 0.000 0.000) 0.749 4.542 ( 0.505 0.000 0.000) 0.505 4.604 ( -5.114 -0.000 0.000) 5.114 4.669 ( -1.297 -0.000 0.000) 1.297 4.747 ( 1.176 0.000 0.000) 1.176 4.761 ( 4.375 0.000 0.000) 4.375 4.809 ( -1.408 -0.000 0.000) 1.408 4.981 ( 0.254 0.000 0.000) 0.254 5.157 ( 6.009 0.000 0.000) 6.009 5.233 ( 4.941 0.000 0.000) 4.941 5.259 ( -4.640 -0.000 0.000) 4.640 5.343 ( -5.930 -0.000 0.000) 5.930 5.390 ( -4.842 -0.000 0.000) 4.842 5.397 ( -2.725 -0.000 0.000) 2.725 5.627 ( -1.759 -0.000 0.000) 1.759 5.634 ( -0.661 -0.000 0.000) 0.661 5.784 ( -2.084 -0.000 0.000) 2.084 5.824 ( -1.371 -0.000 0.000) 1.371 ======================= Grid point 43 (31/98) ======================= q-point: (-0.69 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( -2.525 0.081 0.000) 2.526 1.618 ( -4.970 -0.160 0.000) 4.973 1.626 ( -10.288 2.762 0.000) 10.652 1.686 ( 3.712 1.118 0.000) 3.877 1.720 ( -4.120 -1.352 0.000) 4.336 1.721 ( -0.500 -0.794 0.000) 0.938 1.789 ( -0.798 0.240 0.000) 0.833 1.800 ( 4.088 0.077 0.000) 4.089 1.901 ( -2.699 -2.304 0.000) 3.548 1.986 ( -6.491 -1.211 0.000) 6.603 2.076 ( -0.311 0.275 0.000) 0.415 2.117 ( -4.777 -0.728 0.000) 4.833 2.132 ( -4.924 -0.613 0.000) 4.962 2.205 ( 7.307 1.285 0.000) 7.419 2.541 ( -0.628 2.612 0.000) 2.687 2.577 ( -0.079 -1.937 0.000) 1.938 2.594 ( 5.598 -2.716 0.000) 6.222 2.630 ( 0.466 -0.012 0.000) 0.466 2.876 ( 4.280 0.837 0.000) 4.361 2.931 ( 0.544 -0.100 0.000) 0.553 2.944 ( -0.876 0.132 0.000) 0.886 2.993 ( -1.660 1.505 0.000) 2.241 3.193 ( 0.591 0.098 0.000) 0.599 3.200 ( 2.374 -0.554 0.000) 2.437 3.353 ( -1.019 5.253 0.000) 5.351 3.434 ( 1.171 -3.912 0.000) 4.084 4.066 ( 0.578 0.162 0.000) 0.601 4.073 ( 0.081 0.095 0.000) 0.125 4.180 ( -1.280 0.633 0.000) 1.428 4.181 ( -0.631 0.139 0.000) 0.646 4.361 ( 1.345 -1.400 0.000) 1.942 4.477 ( -6.840 0.602 0.000) 6.866 4.545 ( -0.064 -0.168 0.000) 0.180 4.640 ( -1.868 -0.425 0.000) 1.916 4.730 ( -3.234 -0.157 0.000) 3.238 4.784 ( -1.254 -0.348 0.000) 1.301 4.862 ( 5.261 0.376 0.000) 5.274 4.990 ( 1.183 0.336 0.000) 1.230 5.155 ( -6.416 -0.012 0.000) 6.416 5.239 ( 0.324 -0.270 0.000) 0.422 5.243 ( -4.663 0.053 0.000) 4.663 5.317 ( -0.314 -0.220 0.000) 0.383 5.328 ( 5.203 -0.083 0.000) 5.204 5.402 ( 2.835 0.024 0.000) 2.835 5.614 ( 0.201 -0.058 0.000) 0.209 5.650 ( 2.374 0.015 0.000) 2.374 5.748 ( -1.815 -0.239 0.000) 1.831 5.822 ( 1.249 0.031 0.000) 1.249 ======================= Grid point 44 (32/98) ======================= q-point: (-0.62 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( -7.465 -2.047 0.000) 7.740 1.501 ( -7.441 0.581 0.000) 7.464 1.550 ( -2.238 -1.049 0.000) 2.471 1.609 ( -8.399 -3.663 0.000) 9.163 1.681 ( -1.700 0.983 0.000) 1.964 1.736 ( -1.455 0.060 0.000) 1.456 1.783 ( -0.646 0.936 0.000) 1.138 1.849 ( -3.161 -0.237 0.000) 3.170 1.854 ( 0.925 0.141 0.000) 0.936 1.886 ( -5.736 -3.832 0.000) 6.898 2.029 ( -0.893 3.047 0.000) 3.175 2.043 ( -4.379 -1.142 0.000) 4.526 2.111 ( 1.695 -4.605 0.000) 4.907 2.357 ( 9.255 5.914 0.000) 10.983 2.490 ( -2.823 -1.018 0.000) 3.001 2.607 ( 1.947 -3.139 0.000) 3.694 2.636 ( 0.047 0.270 0.000) 0.274 2.715 ( 5.185 -0.551 0.000) 5.214 2.894 ( -2.369 1.932 0.000) 3.056 2.926 ( -0.968 0.204 0.000) 0.989 2.929 ( -4.520 1.410 0.000) 4.735 2.940 ( 0.337 -0.242 0.000) 0.415 3.149 ( -5.541 0.878 0.000) 5.610 3.215 ( -2.090 0.422 0.000) 2.132 3.296 ( -2.173 3.831 0.000) 4.404 3.407 ( -4.430 -0.447 0.000) 4.452 4.079 ( 0.737 -0.068 0.000) 0.740 4.083 ( 1.591 0.304 0.000) 1.620 4.144 ( -1.889 0.617 0.000) 1.987 4.161 ( -1.468 0.718 0.000) 1.635 4.364 ( -2.448 0.998 0.000) 2.644 4.408 ( 0.478 -3.549 0.000) 3.581 4.551 ( 0.771 -0.652 0.000) 1.010 4.611 ( -1.241 -0.078 0.000) 1.244 4.678 ( -0.913 -0.443 0.000) 1.015 4.767 ( -1.006 -1.065 0.000) 1.465 4.919 ( 0.785 1.054 0.000) 1.314 4.992 ( -1.419 0.969 0.000) 1.718 5.037 ( -5.796 -0.079 0.000) 5.797 5.167 ( -3.735 0.275 0.000) 3.745 5.193 ( -2.873 -2.396 0.000) 3.741 5.376 ( 3.832 -0.128 0.000) 3.834 5.426 ( 5.310 -0.408 0.000) 5.326 5.475 ( 4.293 -0.059 0.000) 4.293 5.629 ( 1.084 -0.122 0.000) 1.090 5.716 ( 4.466 -0.132 0.000) 4.468 5.722 ( -1.314 -1.004 0.000) 1.654 5.869 ( 3.662 -0.020 0.000) 3.662 ======================= Grid point 45 (33/98) ======================= q-point: (-0.54 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( -9.123 2.080 0.000) 9.357 1.346 ( -7.670 -2.287 0.000) 8.004 1.506 ( -3.296 -7.263 0.000) 7.976 1.523 ( -1.599 -1.989 0.000) 2.552 1.636 ( -3.717 0.100 0.000) 3.718 1.642 ( -6.827 -0.192 0.000) 6.829 1.726 ( -4.150 -1.242 0.000) 4.332 1.772 ( -8.884 -3.778 0.000) 9.654 1.819 ( -3.994 -0.150 0.000) 3.997 1.842 ( 0.986 -2.388 0.000) 2.584 1.994 ( -1.733 0.447 0.000) 1.789 2.033 ( 2.275 2.634 0.000) 3.481 2.221 ( 6.389 -4.320 0.000) 7.713 2.400 ( -1.043 5.004 0.000) 5.112 2.497 ( 0.611 1.542 0.000) 1.659 2.618 ( -1.884 0.668 0.000) 1.998 2.664 ( 0.459 -3.546 0.000) 3.575 2.731 ( -3.056 4.007 0.000) 5.040 2.795 ( -9.647 0.951 0.000) 9.694 2.829 ( -0.395 -0.670 0.000) 0.777 2.903 ( -1.745 0.638 0.000) 1.857 2.947 ( 0.096 -0.503 0.000) 0.512 2.972 ( -11.860 1.619 0.000) 11.970 3.074 ( -11.604 4.504 0.000) 12.448 3.217 ( -3.785 1.999 0.000) 4.281 3.361 ( -0.322 -0.354 0.000) 0.478 4.093 ( -3.467 1.081 0.000) 3.632 4.098 ( -0.722 0.322 0.000) 0.790 4.124 ( 0.091 0.517 0.000) 0.525 4.125 ( 2.795 0.266 0.000) 2.808 4.370 ( 4.158 0.302 0.000) 4.169 4.445 ( 0.809 -4.055 0.000) 4.135 4.587 ( 2.975 0.095 0.000) 2.976 4.601 ( 0.173 -0.346 0.000) 0.387 4.728 ( 4.664 -1.129 0.000) 4.799 4.765 ( 0.927 -2.304 0.000) 2.483 4.875 ( -4.813 1.603 0.000) 5.073 4.918 ( -5.516 0.500 0.000) 5.539 4.957 ( -3.087 0.079 0.000) 3.088 5.093 ( -4.105 0.532 0.000) 4.139 5.187 ( 0.297 -4.193 0.000) 4.203 5.437 ( 2.667 -0.307 0.000) 2.684 5.527 ( 5.154 -0.805 0.000) 5.217 5.539 ( 2.291 0.149 0.000) 2.296 5.645 ( 0.430 -0.096 0.000) 0.441 5.710 ( -0.798 -1.841 0.000) 2.006 5.806 ( 4.977 -0.404 0.000) 4.993 5.945 ( 4.316 0.321 0.000) 4.328 ======================= Grid point 46 (34/98) ======================= q-point: (-0.46 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( -10.189 4.419 0.000) 11.106 1.176 ( -9.113 4.231 0.000) 10.048 1.491 ( -5.440 0.233 0.000) 5.445 1.500 ( -5.988 0.701 0.000) 6.029 1.543 ( -0.025 -8.115 0.000) 8.115 1.566 ( -3.801 -3.823 0.000) 5.391 1.605 ( -10.550 -4.372 0.000) 11.420 1.705 ( 0.584 -6.666 0.000) 6.691 1.752 ( -2.957 -1.164 0.000) 3.178 1.890 ( 1.956 -4.783 0.000) 5.167 1.943 ( -3.363 3.956 0.000) 5.193 2.062 ( 1.374 1.075 0.000) 1.744 2.297 ( -12.482 4.984 0.000) 13.440 2.304 ( -3.268 -2.563 0.000) 4.153 2.337 ( -10.226 1.528 0.000) 10.340 2.513 ( -15.606 4.502 0.000) 16.243 2.555 ( -4.950 1.317 0.000) 5.122 2.601 ( -10.211 -1.317 0.000) 10.295 2.731 ( -6.783 1.016 0.000) 6.858 2.748 ( -1.111 4.164 0.000) 4.309 2.825 ( 1.642 0.250 0.000) 1.661 2.888 ( -1.238 -0.012 0.000) 1.238 2.896 ( -1.002 0.282 0.000) 1.041 2.957 ( 0.475 -0.336 0.000) 0.581 3.150 ( -2.843 0.217 0.000) 2.851 3.366 ( 0.453 -0.141 0.000) 0.474 3.996 ( -6.635 0.426 0.000) 6.649 4.032 ( -4.286 1.446 0.000) 4.523 4.167 ( 1.943 -1.961 0.000) 2.761 4.179 ( 2.593 0.066 0.000) 2.594 4.451 ( 1.204 -0.698 0.000) 1.392 4.504 ( 5.998 0.258 0.000) 6.004 4.620 ( 0.367 -1.128 0.000) 1.186 4.644 ( 2.334 2.987 0.000) 3.791 4.731 ( -8.012 0.871 0.000) 8.059 4.751 ( -2.081 -1.372 0.000) 2.492 4.796 ( -4.806 -2.333 0.000) 5.342 4.880 ( 4.152 -0.950 0.000) 4.259 4.965 ( 6.590 -1.743 0.000) 6.817 5.020 ( -3.140 0.276 0.000) 3.152 5.244 ( 3.226 -4.166 0.000) 5.269 5.479 ( 1.484 -0.818 0.000) 1.694 5.558 ( -0.011 0.209 0.000) 0.210 5.623 ( 4.608 -0.754 0.000) 4.669 5.641 ( -0.967 0.005 0.000) 0.967 5.710 ( -0.411 -2.368 0.000) 2.404 5.903 ( 5.321 -0.444 0.000) 5.340 6.020 ( 4.126 1.257 0.000) 4.314 ======================= Grid point 47 (35/98) ======================= q-point: (-0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( -9.930 7.779 0.000) 12.614 0.989 ( -5.869 12.373 0.000) 13.695 1.341 ( -7.787 2.621 0.000) 8.216 1.385 ( -6.099 0.788 0.000) 6.149 1.445 ( -8.498 -4.360 0.000) 9.551 1.562 ( -1.889 -7.397 0.000) 7.635 1.567 ( 0.056 -5.348 0.000) 5.348 1.714 ( -2.551 -1.968 0.000) 3.222 1.747 ( -7.872 5.892 0.000) 9.832 1.825 ( -2.355 -6.330 0.000) 6.754 1.936 ( -4.276 -3.514 0.000) 5.535 1.987 ( -14.206 3.532 0.000) 14.638 2.007 ( -12.763 -0.519 0.000) 12.773 2.052 ( -14.368 7.081 0.000) 16.018 2.137 ( -6.389 -3.087 0.000) 7.096 2.248 ( -7.541 4.150 0.000) 8.608 2.404 ( -11.687 -6.965 0.000) 13.605 2.450 ( -3.684 3.817 0.000) 5.305 2.700 ( -2.231 1.885 0.000) 2.921 2.753 ( 4.541 -1.888 0.000) 4.918 2.813 ( -0.490 3.339 0.000) 3.375 2.869 ( -0.711 -0.086 0.000) 0.716 2.969 ( 0.845 0.369 0.000) 0.922 2.971 ( 2.976 -4.771 0.000) 5.623 3.122 ( 0.586 0.275 0.000) 0.647 3.383 ( 1.542 0.365 0.000) 1.584 3.825 ( -12.702 -0.909 0.000) 12.734 3.919 ( -8.492 -1.004 0.000) 8.551 4.188 ( -1.401 -3.035 0.000) 3.343 4.201 ( -0.483 -0.495 0.000) 0.692 4.439 ( -3.337 3.376 0.000) 4.747 4.496 ( -5.781 0.600 0.000) 5.812 4.523 ( -10.290 0.012 0.000) 10.290 4.591 ( 3.758 2.327 0.000) 4.421 4.765 ( 5.839 -3.619 0.000) 6.869 4.781 ( 4.290 -1.655 0.000) 4.598 4.799 ( 1.405 0.475 0.000) 1.483 4.933 ( 3.023 -0.291 0.000) 3.037 4.979 ( -1.277 -0.054 0.000) 1.279 5.163 ( 10.845 -1.383 0.000) 10.933 5.334 ( 4.245 -2.088 0.000) 4.730 5.501 ( 0.048 -2.320 0.000) 2.321 5.543 ( -1.389 0.025 0.000) 1.389 5.617 ( -1.212 -0.118 0.000) 1.218 5.690 ( 1.652 -0.150 0.000) 1.659 5.730 ( 1.775 -2.718 0.000) 3.246 6.009 ( 5.957 -0.006 0.000) 5.957 6.082 ( 3.616 2.782 0.000) 4.562 ======================= Grid point 48 (36/98) ======================= q-point: (-0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( -7.133 12.098 0.000) 14.045 0.850 ( 0.952 20.851 0.000) 20.873 1.200 ( -4.892 4.845 0.000) 6.886 1.273 ( -5.299 2.419 0.000) 5.825 1.352 ( -5.244 -2.338 0.000) 5.741 1.438 ( -13.267 4.372 0.000) 13.969 1.465 ( -14.655 13.632 0.000) 20.015 1.609 ( 1.348 -5.418 0.000) 5.583 1.619 ( -10.103 1.028 0.000) 10.155 1.656 ( -5.844 -2.317 0.000) 6.286 1.749 ( -10.450 -6.351 0.000) 12.228 1.761 ( -5.591 -1.446 0.000) 5.775 1.900 ( 0.824 -3.838 0.000) 3.925 2.032 ( -0.695 -7.633 0.000) 7.665 2.107 ( -1.242 -2.747 0.000) 3.015 2.174 ( -0.004 -2.890 0.000) 2.890 2.262 ( -7.094 -5.192 0.000) 8.791 2.386 ( -0.780 5.013 0.000) 5.073 2.627 ( -3.334 5.268 0.000) 6.235 2.807 ( 0.958 1.131 0.000) 1.483 2.828 ( 1.652 -1.595 0.000) 2.296 2.871 ( 1.011 -1.091 0.000) 1.487 2.984 ( 1.106 1.219 0.000) 1.646 3.017 ( -0.527 -8.145 0.000) 8.162 3.168 ( 3.763 1.180 0.000) 3.944 3.407 ( 0.540 0.908 0.000) 1.056 3.549 ( -15.282 -0.382 0.000) 15.287 3.713 ( -14.983 -5.382 0.000) 15.920 4.150 ( -3.786 -2.289 0.000) 4.424 4.179 ( -1.538 -0.078 0.000) 1.539 4.330 ( -3.865 0.547 0.000) 3.904 4.375 ( -5.221 -0.843 0.000) 5.288 4.471 ( 0.853 4.223 0.000) 4.309 4.631 ( 1.882 2.363 0.000) 3.020 4.814 ( 0.751 1.745 0.000) 1.900 4.867 ( 3.273 -2.236 0.000) 3.963 4.870 ( 2.820 -2.493 0.000) 3.764 4.978 ( 0.939 -1.297 0.000) 1.601 4.996 ( 3.202 -0.342 0.000) 3.220 5.328 ( 6.214 1.632 0.000) 6.425 5.408 ( 3.231 1.462 0.000) 3.546 5.500 ( -2.029 -0.316 0.000) 2.054 5.530 ( 0.239 -5.819 0.000) 5.824 5.607 ( -0.123 -0.454 0.000) 0.470 5.701 ( 0.017 -0.526 0.000) 0.526 5.784 ( 1.946 -2.038 0.000) 2.818 6.116 ( 5.271 0.103 0.000) 5.272 6.118 ( 2.160 4.382 0.000) 4.886 ======================= Grid point 49 (37/98) ======================= q-point: (-0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( 0.000 15.422 0.000) 15.422 0.786 ( 0.000 22.640 0.000) 22.640 1.061 ( 0.000 30.739 0.000) 30.739 1.121 ( 0.000 7.143 0.000) 7.143 1.188 ( 0.000 5.015 0.000) 5.015 1.281 ( 0.000 0.988 0.000) 0.988 1.409 ( -0.000 -4.664 0.000) 4.664 1.500 ( -0.000 -2.089 0.000) 2.089 1.599 ( -0.000 -4.191 0.000) 4.191 1.667 ( -0.000 -2.538 0.000) 2.538 1.696 ( -0.000 -11.294 0.000) 11.294 1.734 ( -0.000 -1.190 0.000) 1.190 1.926 ( -0.000 -3.514 0.000) 3.514 2.085 ( -0.000 -11.646 0.000) 11.646 2.110 ( -0.000 -2.972 0.000) 2.972 2.200 ( -0.000 -4.048 0.000) 4.048 2.213 ( -0.000 -1.565 0.000) 1.565 2.354 ( 0.000 5.886 0.000) 5.886 2.557 ( 0.000 6.431 0.000) 6.431 2.813 ( 0.000 1.526 0.000) 1.526 2.843 ( -0.000 -0.923 0.000) 0.923 2.898 ( -0.000 -2.246 0.000) 2.246 2.990 ( 0.000 0.932 0.000) 0.932 3.064 ( -0.000 -11.051 0.000) 11.051 3.215 ( 0.000 2.501 0.000) 2.501 3.366 ( 0.000 0.725 0.000) 0.725 3.380 ( 0.000 0.527 0.000) 0.527 3.552 ( -0.000 -1.889 0.000) 1.889 4.110 ( -0.000 -0.334 0.000) 0.334 4.162 ( -0.000 -0.013 0.000) 0.013 4.298 ( -0.000 -0.426 0.000) 0.426 4.334 ( -0.000 -0.817 0.000) 0.817 4.454 ( 0.000 5.420 0.000) 5.420 4.634 ( 0.000 3.083 0.000) 3.083 4.808 ( 0.000 3.119 0.000) 3.119 4.900 ( -0.000 -1.422 0.000) 1.422 4.916 ( -0.000 -4.165 0.000) 4.165 5.006 ( -0.000 -2.668 0.000) 2.668 5.033 ( -0.000 -0.572 0.000) 0.572 5.373 ( 0.000 4.193 0.000) 4.193 5.435 ( 0.000 0.179 0.000) 0.179 5.469 ( 0.000 0.165 0.000) 0.165 5.574 ( -0.000 -6.065 0.000) 6.065 5.610 ( -0.000 -0.502 0.000) 0.502 5.704 ( -0.000 -0.512 0.000) 0.512 5.814 ( -0.000 -2.230 0.000) 2.230 6.112 ( 0.000 5.192 0.000) 5.192 6.177 ( -0.000 -0.975 0.000) 0.975 ======================= Grid point 56 (38/98) ======================= q-point: (-0.69 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( -8.768 -0.000 0.000) 8.768 1.504 ( -7.141 -0.000 0.000) 7.141 1.544 ( -2.524 -0.000 0.000) 2.524 1.588 ( -8.326 -0.000 0.000) 8.326 1.687 ( -2.145 -0.000 0.000) 2.145 1.736 ( -1.225 -0.000 0.000) 1.225 1.789 ( 0.130 0.000 0.000) 0.130 1.853 ( -7.161 -0.000 0.000) 7.161 1.855 ( 0.831 0.000 0.000) 0.831 1.859 ( -2.390 -0.000 0.000) 2.390 2.038 ( -4.229 -0.000 0.000) 4.229 2.062 ( -1.058 -0.000 0.000) 1.058 2.069 ( 1.993 0.000 0.000) 1.993 2.391 ( 10.682 0.000 0.000) 10.682 2.488 ( -3.753 -0.000 0.000) 3.753 2.582 ( 1.544 0.000 0.000) 1.544 2.638 ( 0.130 0.000 0.000) 0.130 2.714 ( 5.839 0.000 0.000) 5.839 2.904 ( -2.373 -0.000 0.000) 2.373 2.927 ( -0.968 -0.000 0.000) 0.968 2.937 ( -4.993 -0.000 0.000) 4.993 2.939 ( 0.316 0.000 0.000) 0.316 3.154 ( -5.355 -0.000 0.000) 5.355 3.215 ( -1.385 -0.000 0.000) 1.385 3.320 ( -3.798 -0.000 0.000) 3.798 3.403 ( -3.181 -0.000 0.000) 3.181 4.078 ( 0.619 0.000 0.000) 0.619 4.085 ( 1.584 0.000 0.000) 1.584 4.148 ( -1.940 -0.000 0.000) 1.940 4.165 ( -1.228 -0.000 0.000) 1.228 4.376 ( -3.488 -0.000 0.000) 3.488 4.382 ( 1.331 0.000 0.000) 1.331 4.547 ( 0.620 0.000 0.000) 0.620 4.610 ( -1.188 -0.000 0.000) 1.188 4.676 ( -0.991 -0.000 0.000) 0.991 4.761 ( -1.116 -0.000 0.000) 1.116 4.924 ( 0.813 0.000 0.000) 0.813 4.998 ( -1.357 -0.000 0.000) 1.357 5.037 ( -5.740 -0.000 0.000) 5.740 5.169 ( -3.654 -0.000 0.000) 3.654 5.180 ( -3.315 -0.000 0.000) 3.315 5.375 ( 3.839 0.000 0.000) 3.839 5.424 ( 5.225 0.000 0.000) 5.225 5.475 ( 4.338 0.000 0.000) 4.338 5.628 ( 1.090 0.000 0.000) 1.090 5.715 ( 4.399 0.000 0.000) 4.399 5.716 ( -1.435 -0.000 0.000) 1.435 5.869 ( 3.686 0.000 0.000) 3.686 ======================= Grid point 58 (39/98) ======================= q-point: (-0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( -3.367 -0.143 0.000) 3.370 1.357 ( -8.433 0.973 0.000) 8.489 1.448 ( -6.367 -3.258 0.000) 7.153 1.505 ( -1.808 -1.024 0.000) 2.078 1.637 ( -3.514 0.115 0.000) 3.516 1.640 ( -7.444 -0.058 0.000) 7.444 1.717 ( -7.062 -0.459 0.000) 7.077 1.743 ( -7.752 -1.482 0.000) 7.892 1.817 ( -4.395 -0.178 0.000) 4.398 1.823 ( 0.325 -0.969 0.000) 1.022 2.002 ( 0.035 0.606 0.000) 0.607 2.056 ( 1.096 1.404 0.000) 1.781 2.187 ( 7.771 -1.918 0.000) 8.004 2.423 ( -3.145 0.342 0.000) 3.164 2.537 ( 3.052 4.901 0.000) 5.774 2.617 ( 0.023 -4.649 0.000) 4.649 2.623 ( -1.867 0.223 0.000) 1.880 2.772 ( -3.345 3.263 0.000) 4.673 2.797 ( -7.586 -0.944 0.000) 7.644 2.821 ( -2.184 -0.528 0.000) 2.247 2.908 ( -1.161 0.212 0.000) 1.180 2.944 ( -0.110 -0.199 0.000) 0.227 2.985 ( -12.079 0.705 0.000) 12.099 3.108 ( -9.998 1.761 0.000) 10.152 3.230 ( -5.195 0.535 0.000) 5.223 3.359 ( -0.703 -0.063 0.000) 0.705 4.100 ( 1.387 0.049 0.000) 1.387 4.102 ( -3.515 0.529 0.000) 3.554 4.126 ( 2.777 0.035 0.000) 2.778 4.130 ( -2.197 0.424 0.000) 2.237 4.374 ( 4.070 0.469 0.000) 4.097 4.412 ( 1.342 -1.953 0.000) 2.370 4.583 ( 3.410 -0.514 0.000) 3.449 4.598 ( -0.103 -0.126 0.000) 0.163 4.723 ( 5.541 -0.014 0.000) 5.541 4.747 ( -0.263 -1.046 0.000) 1.078 4.886 ( -4.793 0.555 0.000) 4.825 4.922 ( -5.778 0.167 0.000) 5.780 4.958 ( -3.527 0.106 0.000) 3.529 5.097 ( -4.173 0.208 0.000) 4.178 5.157 ( 0.600 -1.452 0.000) 1.571 5.436 ( 2.627 -0.070 0.000) 2.628 5.521 ( 5.102 -0.329 0.000) 5.113 5.540 ( 2.350 0.057 0.000) 2.351 5.645 ( 0.488 -0.024 0.000) 0.489 5.697 ( -0.807 -0.614 0.000) 1.014 5.803 ( 4.888 -0.190 0.000) 4.891 5.947 ( 4.514 0.105 0.000) 4.515 ======================= Grid point 59 (40/98) ======================= q-point: (-0.54 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( -8.988 3.083 0.000) 9.502 1.244 ( -3.841 8.482 0.000) 9.312 1.453 ( 1.334 -9.284 0.000) 9.379 1.487 ( -1.969 -1.093 0.000) 2.252 1.502 ( -6.382 -0.035 0.000) 6.382 1.539 ( -7.036 -1.151 0.000) 7.130 1.572 ( -9.788 -1.641 0.000) 9.925 1.626 ( -4.176 -7.024 0.000) 8.171 1.740 ( -3.407 -1.021 0.000) 3.557 1.850 ( 1.158 -2.296 0.000) 2.571 1.994 ( -0.438 4.146 0.000) 4.169 2.072 ( 0.808 0.803 0.000) 1.139 2.281 ( -2.544 -1.599 0.000) 3.005 2.336 ( -18.604 1.237 0.000) 18.645 2.349 ( -6.121 2.457 0.000) 6.596 2.508 ( -12.962 -3.501 0.000) 13.427 2.565 ( -4.096 0.625 0.000) 4.143 2.630 ( -8.665 4.236 0.000) 9.645 2.744 ( -8.335 1.204 0.000) 8.421 2.793 ( -0.880 4.096 0.000) 4.189 2.825 ( 2.945 -0.068 0.000) 2.946 2.887 ( -1.191 -0.052 0.000) 1.193 2.894 ( -7.331 -0.825 0.000) 7.378 2.954 ( 0.637 -0.186 0.000) 0.663 3.150 ( -3.038 -0.234 0.000) 3.047 3.364 ( 0.702 -0.226 0.000) 0.737 4.000 ( -7.286 0.417 0.000) 7.298 4.051 ( -4.617 2.023 0.000) 5.040 4.144 ( 1.157 -2.232 0.000) 2.513 4.177 ( 2.146 -0.330 0.000) 2.171 4.444 ( 1.982 -0.534 0.000) 2.053 4.508 ( 8.203 0.270 0.000) 8.207 4.609 ( 0.793 -0.926 0.000) 1.220 4.668 ( 4.493 1.418 0.000) 4.711 4.740 ( -9.783 0.758 0.000) 9.812 4.742 ( -3.605 -0.113 0.000) 3.606 4.770 ( -4.762 -2.395 0.000) 5.331 4.871 ( 5.046 -0.575 0.000) 5.079 4.949 ( 5.002 -1.076 0.000) 5.117 5.023 ( -3.333 0.142 0.000) 3.336 5.213 ( 4.259 -1.786 0.000) 4.619 5.474 ( 1.412 -0.218 0.000) 1.428 5.559 ( -0.140 0.059 0.000) 0.152 5.615 ( 4.760 -0.594 0.000) 4.796 5.641 ( -0.913 0.049 0.000) 0.914 5.692 ( -0.258 -1.063 0.000) 1.094 5.898 ( 5.367 -0.399 0.000) 5.382 6.030 ( 4.552 0.645 0.000) 4.598 ======================= Grid point 60 (41/98) ======================= q-point: (-0.46 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( -8.176 6.308 0.000) 10.327 1.138 ( -0.523 15.329 0.000) 15.338 1.360 ( -8.326 0.741 0.000) 8.359 1.390 ( -5.639 0.434 0.000) 5.656 1.413 ( -7.679 -1.631 0.000) 7.850 1.486 ( -1.485 -6.660 0.000) 6.823 1.515 ( 0.161 -4.394 0.000) 4.397 1.693 ( 2.843 -13.300 0.000) 13.601 1.696 ( -2.454 -1.290 0.000) 2.772 1.833 ( -12.157 4.629 0.000) 13.008 1.903 ( -5.542 -1.269 0.000) 5.686 1.994 ( -9.600 0.218 0.000) 9.602 2.008 ( -15.808 0.658 0.000) 15.822 2.105 ( -5.010 -2.864 0.000) 5.770 2.143 ( -14.335 6.065 0.000) 15.566 2.313 ( -7.722 -0.315 0.000) 7.729 2.347 ( -15.595 4.816 0.000) 16.322 2.481 ( -3.475 2.060 0.000) 4.040 2.697 ( -5.153 -3.105 0.000) 6.017 2.742 ( 4.680 -0.197 0.000) 4.685 2.831 ( -1.408 -0.147 0.000) 1.416 2.868 ( -0.845 -0.114 0.000) 0.853 2.937 ( 3.976 -1.003 0.000) 4.101 2.972 ( 1.358 0.265 0.000) 1.384 3.126 ( 0.742 0.424 0.000) 0.855 3.384 ( 1.456 -0.087 0.000) 1.459 3.817 ( -13.026 -0.622 0.000) 13.041 3.911 ( -10.728 -0.446 0.000) 10.738 4.159 ( -1.077 -2.376 0.000) 2.609 4.196 ( -0.351 -0.488 0.000) 0.601 4.471 ( -2.979 2.541 0.000) 3.915 4.500 ( -5.091 0.274 0.000) 5.098 4.522 ( -11.354 -0.079 0.000) 11.355 4.611 ( 2.700 1.258 0.000) 2.979 4.733 ( 6.698 -2.404 0.000) 7.117 4.756 ( 2.221 -2.176 0.000) 3.109 4.823 ( 5.345 2.776 0.000) 6.023 4.929 ( 2.957 -0.410 0.000) 2.986 4.977 ( -1.591 -0.159 0.000) 1.599 5.138 ( 10.811 -2.939 0.000) 11.203 5.317 ( 5.720 -1.013 0.000) 5.809 5.488 ( -0.252 -0.444 0.000) 0.511 5.541 ( -1.641 -0.296 0.000) 1.667 5.617 ( -1.338 0.018 0.000) 1.338 5.689 ( 1.231 -0.152 0.000) 1.240 5.707 ( 2.672 -1.604 0.000) 3.116 6.007 ( 6.133 -0.253 0.000) 6.138 6.106 ( 4.244 1.797 0.000) 4.609 ======================= Grid point 61 (42/98) ======================= q-point: (-0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( -5.342 10.204 0.000) 11.517 1.069 ( 3.205 20.382 0.000) 20.633 1.226 ( -5.223 -0.104 0.000) 5.224 1.296 ( -4.060 2.182 0.000) 4.609 1.326 ( -2.389 -1.302 0.000) 2.721 1.472 ( -15.889 2.748 0.000) 16.125 1.497 ( -2.181 -4.216 0.000) 4.747 1.550 ( 0.666 -5.374 0.000) 5.415 1.636 ( -7.434 -1.248 0.000) 7.538 1.698 ( -10.345 -3.610 0.000) 10.957 1.725 ( -7.405 -3.985 0.000) 8.410 1.745 ( -13.644 13.401 0.000) 19.125 1.857 ( -1.195 -3.303 0.000) 3.513 1.968 ( -3.603 -2.756 0.000) 4.536 2.082 ( -1.122 -1.964 0.000) 2.262 2.148 ( -2.419 -1.842 0.000) 3.040 2.219 ( -4.186 -2.833 0.000) 5.055 2.426 ( -1.130 2.593 0.000) 2.829 2.633 ( -4.194 -5.835 0.000) 7.186 2.811 ( -0.419 0.646 0.000) 0.770 2.819 ( 2.536 0.071 0.000) 2.537 2.864 ( 0.529 -0.545 0.000) 0.759 2.974 ( 0.553 0.591 0.000) 0.809 2.997 ( 1.550 1.339 0.000) 2.048 3.171 ( 3.423 -0.587 0.000) 3.473 3.411 ( 0.452 -0.257 0.000) 0.520 3.545 ( -14.566 -0.314 0.000) 14.569 3.666 ( -14.937 -3.445 0.000) 15.329 4.133 ( -2.259 -0.953 0.000) 2.451 4.179 ( -1.191 0.128 0.000) 1.197 4.333 ( -5.062 0.007 0.000) 5.062 4.366 ( -5.395 -0.750 0.000) 5.447 4.513 ( 1.776 3.621 0.000) 4.033 4.644 ( 1.363 0.171 0.000) 1.374 4.799 ( 1.003 -2.975 0.000) 3.139 4.850 ( 3.994 -1.231 0.000) 4.180 4.889 ( 3.486 4.655 0.000) 5.815 4.965 ( -0.009 -1.045 0.000) 1.045 4.993 ( 3.173 -0.380 0.000) 3.195 5.327 ( 7.294 -2.105 0.000) 7.592 5.418 ( 4.388 0.344 0.000) 4.401 5.472 ( -1.511 -2.425 0.000) 2.857 5.507 ( -2.138 -0.348 0.000) 2.166 5.603 ( -0.228 -0.329 0.000) 0.400 5.696 ( 0.049 -0.459 0.000) 0.462 5.767 ( 2.227 -1.165 0.000) 2.513 6.116 ( 4.978 -0.098 0.000) 4.979 6.159 ( 2.667 3.325 0.000) 4.262 ======================= Grid point 62 (43/98) ======================= q-point: (-0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( 0.000 13.096 0.000) 13.096 1.011 ( 0.000 20.032 0.000) 20.032 1.174 ( 0.000 2.225 0.000) 2.225 1.233 ( 0.000 3.421 0.000) 3.421 1.292 ( 0.000 1.152 0.000) 1.152 1.312 ( 0.000 9.282 0.000) 9.282 1.438 ( 0.000 17.723 0.000) 17.723 1.477 ( -0.000 -2.136 0.000) 2.136 1.539 ( -0.000 -6.432 0.000) 6.432 1.601 ( -0.000 -6.686 0.000) 6.686 1.645 ( -0.000 -1.524 0.000) 1.524 1.710 ( -0.000 -3.597 0.000) 3.597 1.871 ( -0.000 -8.057 0.000) 8.057 1.965 ( -0.000 -8.642 0.000) 8.642 2.081 ( -0.000 -2.289 0.000) 2.289 2.159 ( -0.000 -3.411 0.000) 3.411 2.196 ( -0.000 -1.620 0.000) 1.620 2.403 ( 0.000 3.319 0.000) 3.319 2.608 ( 0.000 0.220 0.000) 0.220 2.812 ( -0.000 -1.460 0.000) 1.460 2.836 ( -0.000 -0.239 0.000) 0.239 2.882 ( -0.000 -0.807 0.000) 0.807 2.980 ( -0.000 -2.869 0.000) 2.869 3.005 ( 0.000 1.741 0.000) 1.741 3.227 ( -0.000 -0.434 0.000) 0.434 3.373 ( 0.000 0.638 0.000) 0.638 3.386 ( 0.000 0.484 0.000) 0.484 3.531 ( -0.000 -2.083 0.000) 2.083 4.108 ( 0.000 0.051 0.000) 0.051 4.164 ( 0.000 0.329 0.000) 0.329 4.291 ( -0.000 -0.743 0.000) 0.743 4.324 ( -0.000 -1.110 0.000) 1.110 4.508 ( 0.000 4.734 0.000) 4.734 4.655 ( 0.000 0.787 0.000) 0.787 4.821 ( -0.000 -1.502 0.000) 1.502 4.888 ( -0.000 -0.701 0.000) 0.701 4.902 ( 0.000 2.497 0.000) 2.497 4.980 ( -0.000 -2.265 0.000) 2.265 5.028 ( -0.000 -0.373 0.000) 0.373 5.408 ( 0.000 1.993 0.000) 1.993 5.436 ( 0.000 0.170 0.000) 0.170 5.471 ( 0.000 0.152 0.000) 0.152 5.506 ( -0.000 -6.198 0.000) 6.198 5.604 ( -0.000 -0.463 0.000) 0.463 5.699 ( -0.000 -0.445 0.000) 0.445 5.795 ( -0.000 -1.367 0.000) 1.367 6.163 ( 0.000 4.397 0.000) 4.397 6.169 ( -0.000 -0.546 0.000) 0.546 ======================= Grid point 71 (44/98) ======================= q-point: (-0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( -8.527 -0.000 0.000) 8.527 1.343 ( -2.855 -0.000 0.000) 2.855 1.350 ( 3.474 0.000 0.000) 3.474 1.478 ( -0.817 -0.000 0.000) 0.817 1.502 ( -6.815 -0.000 0.000) 6.815 1.535 ( -7.908 -0.000 0.000) 7.908 1.575 ( -9.096 -0.000 0.000) 9.096 1.576 ( -7.108 -0.000 0.000) 7.108 1.734 ( -3.496 -0.000 0.000) 3.496 1.838 ( 1.209 0.000 0.000) 1.209 2.017 ( 0.553 0.000 0.000) 0.553 2.077 ( 0.611 0.000 0.000) 0.611 2.272 ( -2.334 -0.000 0.000) 2.334 2.338 ( -14.225 -0.000 0.000) 14.225 2.369 ( -11.185 -0.000 0.000) 11.185 2.483 ( -13.495 -0.000 0.000) 13.495 2.569 ( -3.851 -0.000 0.000) 3.851 2.654 ( -6.168 -0.000 0.000) 6.168 2.752 ( -8.821 -0.000 0.000) 8.821 2.817 ( 6.170 0.000 0.000) 6.170 2.828 ( -0.283 -0.000 0.000) 0.283 2.885 ( -13.897 -0.000 0.000) 13.897 2.887 ( -1.157 -0.000 0.000) 1.157 2.953 ( 0.687 0.000 0.000) 0.687 3.148 ( -2.788 -0.000 0.000) 2.788 3.363 ( 0.807 0.000 0.000) 0.807 4.003 ( -7.584 -0.000 0.000) 7.584 4.066 ( -5.152 -0.000 0.000) 5.152 4.129 ( 1.205 0.000 0.000) 1.205 4.174 ( 2.007 0.000 0.000) 2.007 4.441 ( 2.522 0.000 0.000) 2.522 4.509 ( 8.852 0.000 0.000) 8.852 4.604 ( 0.668 0.000 0.000) 0.668 4.675 ( 5.804 0.000 0.000) 5.804 4.744 ( -10.202 -0.000 0.000) 10.202 4.749 ( 1.887 0.000 0.000) 1.887 4.750 ( -10.908 -0.000 0.000) 10.908 4.868 ( 5.192 0.000 0.000) 5.192 4.944 ( 4.300 0.000 0.000) 4.300 5.023 ( -3.415 -0.000 0.000) 3.415 5.204 ( 4.633 0.000 0.000) 4.633 5.473 ( 1.414 0.000 0.000) 1.414 5.559 ( -0.210 -0.000 0.000) 0.210 5.612 ( 4.793 0.000 0.000) 4.793 5.641 ( -0.890 -0.000 0.000) 0.890 5.687 ( -0.171 -0.000 0.000) 0.171 5.896 ( 5.387 0.000 0.000) 5.387 6.033 ( 4.701 0.000 0.000) 4.701 ======================= Grid point 73 (45/98) ======================= q-point: (-0.54 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( -7.204 2.595 0.000) 7.657 1.293 ( 1.742 12.054 0.000) 12.179 1.360 ( -9.762 -0.314 0.000) 9.767 1.396 ( -4.667 0.433 0.000) 4.687 1.418 ( -5.196 3.008 0.000) 6.004 1.427 ( -1.682 -3.639 0.000) 4.008 1.480 ( 0.164 -1.858 0.000) 1.865 1.540 ( 1.605 -14.034 0.000) 14.126 1.688 ( -2.071 -0.377 0.000) 2.105 1.855 ( -0.837 0.255 0.000) 0.875 1.911 ( -22.225 1.497 0.000) 22.275 2.000 ( -4.786 0.712 0.000) 4.838 2.017 ( -19.985 0.718 0.000) 19.998 2.081 ( -1.666 -1.470 0.000) 2.222 2.183 ( -14.044 2.160 0.000) 14.209 2.260 ( -8.039 -4.137 0.000) 9.041 2.466 ( -12.448 10.690 0.000) 16.408 2.494 ( -3.549 0.576 0.000) 3.596 2.635 ( -11.811 -7.356 0.000) 13.914 2.744 ( 4.837 0.211 0.000) 4.841 2.824 ( -0.138 -0.437 0.000) 0.458 2.867 ( -0.948 -0.067 0.000) 0.950 2.940 ( 5.841 0.552 0.000) 5.867 2.974 ( 1.695 0.106 0.000) 1.698 3.129 ( 0.357 0.186 0.000) 0.403 3.383 ( 1.283 -0.100 0.000) 1.287 3.812 ( -13.232 -0.220 0.000) 13.234 3.909 ( -12.319 -0.107 0.000) 12.319 4.141 ( -0.322 -0.900 0.000) 0.956 4.192 ( -0.111 -0.199 0.000) 0.228 4.492 ( -5.117 1.323 0.000) 5.285 4.501 ( -2.319 -0.290 0.000) 2.337 4.522 ( -11.704 -0.037 0.000) 11.704 4.618 ( 1.151 0.256 0.000) 1.179 4.716 ( 7.917 -0.743 0.000) 7.952 4.740 ( 1.755 -0.771 0.000) 1.917 4.848 ( 7.352 1.464 0.000) 7.496 4.925 ( 2.732 -0.290 0.000) 2.747 4.976 ( -1.779 -0.078 0.000) 1.781 5.112 ( 10.173 -1.554 0.000) 10.291 5.311 ( 6.317 -0.231 0.000) 6.322 5.486 ( -0.036 0.047 0.000) 0.059 5.538 ( -1.922 -0.215 0.000) 1.934 5.617 ( -1.409 0.028 0.000) 1.409 5.687 ( 0.518 -0.131 0.000) 0.534 5.696 ( 3.663 -0.456 0.000) 3.691 6.005 ( 6.270 -0.122 0.000) 6.271 6.119 ( 4.596 0.623 0.000) 4.638 ======================= Grid point 74 (46/98) ======================= q-point: (-0.46 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( -4.304 6.299 0.000) 7.630 1.210 ( -6.292 -2.124 0.000) 6.641 1.272 ( 3.333 17.211 0.000) 17.531 1.316 ( -3.781 1.387 0.000) 4.027 1.331 ( -1.374 2.439 0.000) 2.800 1.440 ( -0.680 -5.226 0.000) 5.270 1.499 ( -15.348 1.814 0.000) 15.455 1.501 ( 0.359 -3.583 0.000) 3.601 1.632 ( -10.215 0.452 0.000) 10.225 1.637 ( -1.872 -11.306 0.000) 11.460 1.668 ( -8.000 -2.245 0.000) 8.309 1.779 ( -12.692 -2.806 0.000) 12.998 1.868 ( -2.454 0.774 0.000) 2.573 2.021 ( -5.170 10.162 0.000) 11.402 2.067 ( -0.876 -0.938 0.000) 1.283 2.138 ( -4.287 -0.152 0.000) 4.289 2.215 ( -5.467 3.810 0.000) 6.663 2.443 ( -1.515 0.829 0.000) 1.727 2.515 ( -7.713 -14.715 0.000) 16.614 2.825 ( 0.243 1.271 0.000) 1.294 2.827 ( 3.186 1.079 0.000) 3.364 2.858 ( 0.209 -0.636 0.000) 0.669 3.008 ( 2.636 4.465 0.000) 5.185 3.010 ( 2.086 0.974 0.000) 2.302 3.157 ( 2.200 -1.937 0.000) 2.931 3.405 ( 0.334 -0.640 0.000) 0.721 3.543 ( -14.063 -0.175 0.000) 14.064 3.639 ( -14.750 -1.677 0.000) 14.845 4.127 ( -1.330 -0.311 0.000) 1.365 4.181 ( -0.866 0.138 0.000) 0.877 4.332 ( -5.813 -0.071 0.000) 5.814 4.360 ( -5.712 -0.480 0.000) 5.732 4.544 ( 2.167 2.026 0.000) 2.967 4.639 ( 0.799 -0.847 0.000) 1.164 4.773 ( 1.033 -1.826 0.000) 2.098 4.844 ( 4.756 -0.162 0.000) 4.759 4.940 ( 3.836 4.589 0.000) 5.981 4.957 ( -0.503 -0.579 0.000) 0.767 4.988 ( 3.442 -0.559 0.000) 3.487 5.290 ( 6.898 -3.989 0.000) 7.968 5.416 ( 4.226 -0.328 0.000) 4.238 5.469 ( -1.296 0.951 0.000) 1.608 5.502 ( -2.011 -0.693 0.000) 2.127 5.600 ( -0.349 -0.160 0.000) 0.384 5.692 ( 0.134 -0.259 0.000) 0.291 5.759 ( 2.372 -0.507 0.000) 2.426 6.115 ( 4.938 -0.060 0.000) 4.939 6.186 ( 3.035 1.800 0.000) 3.529 ======================= Grid point 75 (47/98) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( 0.000 9.530 0.000) 9.530 1.167 ( -0.000 -2.894 0.000) 2.894 1.198 ( 0.000 14.032 0.000) 14.032 1.259 ( 0.000 1.460 0.000) 1.460 1.313 ( 0.000 4.022 0.000) 4.022 1.355 ( 0.000 4.093 0.000) 4.093 1.458 ( -0.000 -1.425 0.000) 1.425 1.489 ( -0.000 -2.624 0.000) 2.624 1.542 ( -0.000 -4.932 0.000) 4.932 1.634 ( 0.000 5.782 0.000) 5.782 1.635 ( -0.000 -0.351 0.000) 0.351 1.653 ( -0.000 -7.352 0.000) 7.352 1.799 ( 0.000 2.916 0.000) 2.916 1.925 ( 0.000 1.224 0.000) 1.224 2.063 ( -0.000 -1.196 0.000) 1.196 2.132 ( -0.000 -1.629 0.000) 1.629 2.179 ( -0.000 -1.486 0.000) 1.486 2.426 ( 0.000 1.131 0.000) 1.131 2.521 ( -0.000 -15.329 0.000) 15.329 2.817 ( 0.000 2.161 0.000) 2.161 2.839 ( 0.000 0.699 0.000) 0.699 2.877 ( -0.000 -0.134 0.000) 0.134 3.001 ( 0.000 5.440 0.000) 5.440 3.025 ( 0.000 1.778 0.000) 1.778 3.207 ( -0.000 -3.128 0.000) 3.128 3.379 ( 0.000 0.422 0.000) 0.422 3.390 ( 0.000 0.335 0.000) 0.335 3.509 ( -0.000 -2.008 0.000) 2.008 4.110 ( 0.000 0.297 0.000) 0.297 4.168 ( 0.000 0.501 0.000) 0.501 4.283 ( -0.000 -0.794 0.000) 0.794 4.312 ( -0.000 -1.031 0.000) 1.031 4.551 ( 0.000 3.180 0.000) 3.180 4.652 ( -0.000 -1.087 0.000) 1.087 4.794 ( -0.000 -2.561 0.000) 2.561 4.886 ( 0.000 0.200 0.000) 0.200 4.949 ( 0.000 5.249 0.000) 5.249 4.960 ( -0.000 -1.421 0.000) 1.421 5.025 ( -0.000 -0.037 0.000) 0.037 5.390 ( -0.000 -5.449 0.000) 5.449 5.438 ( 0.000 0.121 0.000) 0.121 5.472 ( 0.000 0.107 0.000) 0.107 5.473 ( 0.000 0.168 0.000) 0.168 5.600 ( -0.000 -0.323 0.000) 0.323 5.695 ( -0.000 -0.280 0.000) 0.280 5.784 ( -0.000 -0.694 0.000) 0.694 6.166 ( -0.000 -0.199 0.000) 0.199 6.203 ( 0.000 2.960 0.000) 2.960 ======================= Grid point 86 (48/98) ======================= q-point: (-0.54 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( -3.954 -0.000 0.000) 3.954 1.196 ( -6.850 -0.000 0.000) 6.850 1.323 ( -3.868 -0.000 0.000) 3.868 1.348 ( 2.673 0.000 0.000) 2.673 1.377 ( -3.329 -0.000 0.000) 3.329 1.442 ( 2.744 0.000 0.000) 2.744 1.481 ( 0.378 0.000 0.000) 0.378 1.501 ( -11.741 -0.000 0.000) 11.741 1.534 ( -3.525 -0.000 0.000) 3.525 1.639 ( -16.635 -0.000 0.000) 16.635 1.652 ( -1.653 -0.000 0.000) 1.653 1.762 ( -15.400 -0.000 0.000) 15.400 1.868 ( -1.541 -0.000 0.000) 1.541 2.062 ( -0.756 -0.000 0.000) 0.756 2.076 ( 0.123 0.000 0.000) 0.123 2.137 ( -3.519 -0.000 0.000) 3.519 2.296 ( -10.352 -0.000 0.000) 10.352 2.381 ( -9.936 -0.000 0.000) 9.936 2.447 ( -1.668 -0.000 0.000) 1.668 2.832 ( 0.577 0.000 0.000) 0.577 2.835 ( 4.041 0.000 0.000) 4.041 2.853 ( -0.543 -0.000 0.000) 0.543 3.016 ( 2.342 0.000 0.000) 2.342 3.039 ( 4.344 0.000 0.000) 4.344 3.142 ( 0.761 0.000 0.000) 0.761 3.401 ( 0.267 0.000 0.000) 0.267 3.542 ( -13.883 -0.000 0.000) 13.883 3.630 ( -14.688 -0.000 0.000) 14.688 4.126 ( -1.010 -0.000 0.000) 1.010 4.181 ( -0.726 -0.000 0.000) 0.726 4.332 ( -6.097 -0.000 0.000) 6.097 4.357 ( -5.858 -0.000 0.000) 5.858 4.555 ( 2.269 0.000 0.000) 2.269 4.633 ( 0.599 0.000 0.000) 0.599 4.763 ( 1.001 0.000 0.000) 1.001 4.843 ( 4.987 0.000 0.000) 4.987 4.954 ( -0.650 -0.000 0.000) 0.650 4.974 ( 2.409 0.000 0.000) 2.409 4.978 ( 5.325 0.000 0.000) 5.325 5.265 ( 6.320 0.000 0.000) 6.320 5.414 ( 3.916 0.000 0.000) 3.916 5.477 ( -0.554 -0.000 0.000) 0.554 5.496 ( -2.141 -0.000 0.000) 2.141 5.599 ( -0.404 -0.000 0.000) 0.404 5.691 ( 0.177 0.000 0.000) 0.177 5.756 ( 2.415 0.000 0.000) 2.415 6.115 ( 4.948 0.000 0.000) 4.948 6.196 ( 3.169 0.000 0.000) 3.169 ======================= Grid point 88 (49/98) ======================= q-point: (-0.46 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( 0.000 3.714 0.000) 3.714 1.135 ( -0.000 -2.085 0.000) 2.085 1.267 ( 0.000 0.308 0.000) 0.308 1.269 ( 0.000 1.518 0.000) 1.518 1.407 ( 0.000 9.903 0.000) 9.903 1.415 ( 0.000 6.207 0.000) 6.207 1.454 ( 0.000 2.292 0.000) 2.292 1.480 ( 0.000 0.548 0.000) 0.548 1.498 ( -0.000 -3.020 0.000) 3.020 1.556 ( -0.000 -10.699 0.000) 10.699 1.565 ( -0.000 -8.975 0.000) 8.975 1.635 ( 0.000 0.047 0.000) 0.047 1.854 ( 0.000 1.193 0.000) 1.193 2.046 ( 0.000 17.815 0.000) 17.815 2.055 ( -0.000 -0.336 0.000) 0.336 2.123 ( -0.000 -0.295 0.000) 0.295 2.167 ( -0.000 -0.687 0.000) 0.687 2.333 ( -0.000 -17.644 0.000) 17.644 2.432 ( 0.000 0.175 0.000) 0.175 2.835 ( 0.000 0.943 0.000) 0.943 2.846 ( 0.000 0.427 0.000) 0.427 2.877 ( -0.000 -0.008 0.000) 0.008 3.039 ( 0.000 0.814 0.000) 0.814 3.068 ( 0.000 5.889 0.000) 5.889 3.165 ( -0.000 -4.326 0.000) 4.326 3.382 ( 0.000 0.146 0.000) 0.146 3.393 ( 0.000 0.119 0.000) 0.119 3.492 ( -0.000 -0.906 0.000) 0.906 4.113 ( 0.000 0.173 0.000) 0.173 4.173 ( 0.000 0.258 0.000) 0.258 4.276 ( -0.000 -0.363 0.000) 0.363 4.304 ( -0.000 -0.433 0.000) 0.433 4.573 ( 0.000 1.092 0.000) 1.092 4.641 ( -0.000 -0.720 0.000) 0.720 4.775 ( -0.000 -0.964 0.000) 0.964 4.889 ( 0.000 0.217 0.000) 0.217 4.950 ( -0.000 -0.473 0.000) 0.473 4.993 ( 0.000 2.294 0.000) 2.294 5.028 ( 0.000 0.617 0.000) 0.617 5.335 ( -0.000 -3.446 0.000) 3.446 5.439 ( 0.000 0.044 0.000) 0.044 5.473 ( 0.000 0.038 0.000) 0.038 5.480 ( 0.000 0.543 0.000) 0.543 5.598 ( -0.000 -0.116 0.000) 0.116 5.693 ( -0.000 -0.092 0.000) 0.092 5.780 ( -0.000 -0.207 0.000) 0.207 6.164 ( -0.000 -0.038 0.000) 0.038 6.224 ( 0.000 1.046 0.000) 1.046 ======================= Grid point 175 (50/98) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.395 ( 0.000 0.000 17.127) 17.127 0.446 ( 0.000 0.000 18.476) 18.476 0.755 ( 0.000 0.000 -7.134) 7.134 0.836 ( 0.000 0.000 -14.938) 14.938 0.865 ( 0.000 0.000 27.316) 27.316 1.398 ( 0.000 0.000 6.385) 6.385 1.504 ( 0.000 0.000 -2.750) 2.750 1.531 ( 0.000 0.000 -21.351) 21.351 1.691 ( 0.000 0.000 5.233) 5.233 1.727 ( 0.000 0.000 0.211) 0.211 1.736 ( 0.000 0.000 -0.509) 0.509 1.754 ( 0.000 0.000 -1.903) 1.903 2.044 ( 0.000 0.000 2.338) 2.338 2.123 ( 0.000 0.000 -3.005) 3.005 2.208 ( 0.000 0.000 3.497) 3.497 2.248 ( 0.000 0.000 0.977) 0.977 2.272 ( 0.000 0.000 -0.962) 0.962 2.279 ( 0.000 0.000 1.939) 1.939 2.503 ( 0.000 0.000 -0.224) 0.224 2.666 ( 0.000 0.000 -9.169) 9.169 2.868 ( 0.000 0.000 -2.925) 2.925 2.868 ( 0.000 0.000 -0.964) 0.964 3.114 ( 0.000 0.000 5.819) 5.819 3.244 ( 0.000 0.000 -4.059) 4.059 3.327 ( 0.000 0.000 5.695) 5.695 3.356 ( 0.000 0.000 0.376) 0.376 3.366 ( 0.000 0.000 -0.358) 0.358 3.377 ( 0.000 0.000 1.077) 1.077 4.133 ( 0.000 0.000 0.868) 0.868 4.156 ( 0.000 0.000 -0.913) 0.913 4.312 ( 0.000 0.000 0.884) 0.884 4.334 ( 0.000 0.000 -0.845) 0.845 4.441 ( 0.000 0.000 2.212) 2.212 4.470 ( 0.000 0.000 -0.428) 0.428 4.598 ( 0.000 0.000 4.310) 4.310 4.738 ( 0.000 0.000 -6.397) 6.397 5.033 ( 0.000 0.000 0.783) 0.783 5.063 ( 0.000 0.000 -1.540) 1.540 5.132 ( 0.000 0.000 4.428) 4.428 5.229 ( 0.000 0.000 -3.200) 3.200 5.440 ( 0.000 0.000 0.678) 0.678 5.457 ( 0.000 0.000 -0.679) 0.679 5.629 ( 0.000 0.000 1.138) 1.138 5.677 ( 0.000 0.000 -2.608) 2.608 5.915 ( 0.000 0.000 1.538) 1.538 5.954 ( 0.000 0.000 -1.360) 1.360 6.127 ( 0.000 0.000 4.825) 4.825 6.229 ( 0.000 0.000 -3.438) 3.438 ======================= Grid point 176 (51/98) ======================= q-point: ( 0.08 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( 17.176 -0.371 10.887) 20.339 0.684 ( 13.409 -3.892 14.779) 20.331 0.874 ( 11.271 -1.989 -10.176) 15.315 1.000 ( 12.937 -2.529 -11.868) 17.737 1.066 ( 21.346 -6.038 22.886) 31.872 1.466 ( 6.146 0.283 4.432) 7.583 1.523 ( 3.215 3.268 -1.419) 4.799 1.618 ( 8.757 -1.956 -16.366) 18.665 1.723 ( 0.667 0.593 0.444) 0.996 1.749 ( 2.072 1.324 -2.167) 3.277 1.777 ( 6.209 2.806 3.445) 7.635 1.825 ( 8.459 -3.560 -1.300) 9.269 2.043 ( -0.061 -0.715 2.656) 2.752 2.131 ( 0.539 0.280 -3.533) 3.585 2.177 ( 0.330 5.757 4.638) 7.400 2.231 ( -1.487 0.887 0.998) 1.998 2.256 ( 0.747 -1.977 2.169) 3.028 2.346 ( 4.916 1.080 -3.908) 6.372 2.510 ( 1.075 -0.647 -0.229) 1.275 2.621 ( -2.118 -0.509 -7.859) 8.155 2.852 ( -0.656 -0.299 -0.934) 1.180 2.859 ( -0.897 0.033 -0.982) 1.330 3.068 ( -4.197 1.666 5.702) 7.274 3.195 ( -4.545 1.942 -4.081) 6.410 3.282 ( 0.249 -0.613 6.956) 6.988 3.360 ( 0.120 -1.111 -0.106) 1.122 3.592 ( 17.840 0.158 3.210) 18.127 3.735 ( 18.294 1.012 -10.031) 20.888 4.194 ( 4.154 0.873 -0.241) 4.251 4.220 ( 6.045 1.567 -3.457) 7.138 4.297 ( 0.279 0.052 0.247) 0.377 4.318 ( 0.417 -2.572 -1.594) 3.055 4.483 ( 2.842 1.121 0.912) 3.188 4.509 ( 2.037 -3.755 -1.980) 4.709 4.609 ( 1.862 -1.293 3.811) 4.434 4.743 ( 0.395 -0.900 -6.176) 6.254 5.003 ( -2.666 1.860 0.739) 3.334 5.032 ( -2.856 1.162 -1.595) 3.472 5.083 ( -4.691 0.335 4.898) 6.790 5.188 ( -4.570 -1.232 -3.478) 5.873 5.440 ( 0.169 -0.094 2.247) 2.255 5.475 ( 1.619 -0.044 -1.100) 1.958 5.630 ( 0.165 0.099 1.311) 1.325 5.680 ( 0.309 0.179 -2.514) 2.539 5.885 ( -2.203 4.869 2.519) 5.908 5.941 ( -1.655 -0.217 -2.030) 2.628 6.046 ( -8.292 2.515 5.532) 10.281 6.082 ( -8.763 -3.351 2.057) 9.605 ======================= Grid point 177 (52/98) ======================= q-point: ( 0.15 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 11.380 -2.460 11.730) 16.527 0.943 ( 18.952 1.356 6.250) 20.002 1.134 ( 14.836 -1.198 -6.734) 16.337 1.222 ( 9.170 -2.922 -9.394) 13.450 1.542 ( 9.153 0.540 2.796) 9.586 1.573 ( 10.619 -0.194 2.560) 10.925 1.620 ( 14.793 -3.925 5.144) 16.147 1.731 ( 1.804 0.670 1.002) 2.170 1.755 ( 3.170 0.217 0.243) 3.187 1.867 ( 9.459 -0.150 -4.522) 10.485 1.918 ( 7.404 -0.293 4.187) 8.511 1.974 ( 4.260 2.408 -0.970) 4.989 2.090 ( 5.152 -3.276 -2.832) 6.730 2.134 ( 0.305 0.398 0.525) 0.726 2.218 ( 7.309 3.127 -1.166) 8.035 2.238 ( 6.492 2.580 -0.528) 7.005 2.323 ( 5.975 -0.254 3.295) 6.828 2.450 ( 6.972 0.529 -6.049) 9.246 2.555 ( 2.978 -1.322 -1.200) 3.473 2.598 ( -1.003 -0.414 -6.187) 6.282 2.838 ( -1.250 0.250 -1.289) 1.813 2.847 ( -0.415 -0.642 -1.477) 1.663 2.955 ( -6.417 2.131 5.312) 8.599 3.070 ( -7.193 2.256 -3.811) 8.447 3.301 ( 1.206 -0.508 7.434) 7.549 3.376 ( 0.888 -1.001 0.579) 1.458 3.874 ( 10.743 0.540 1.888) 10.921 3.933 ( 6.438 0.932 -2.658) 7.027 4.209 ( -2.236 -0.088 0.838) 2.390 4.233 ( -1.874 0.439 -1.271) 2.307 4.382 ( 9.964 -1.352 2.542) 10.372 4.449 ( 6.012 -0.712 -1.968) 6.366 4.509 ( 0.432 -1.057 0.203) 1.159 4.528 ( -0.313 -1.961 -1.134) 2.287 4.702 ( 6.092 0.761 -2.434) 6.604 4.763 ( 1.180 -0.577 -4.879) 5.052 4.929 ( -3.514 2.540 0.395) 4.353 4.940 ( -5.943 2.131 0.710) 6.353 4.996 ( -3.809 -1.074 2.757) 4.823 5.088 ( -6.205 -1.457 -3.145) 7.108 5.446 ( 0.113 0.116 3.197) 3.201 5.502 ( 0.839 -0.071 -1.915) 2.092 5.639 ( 1.031 0.359 1.546) 1.893 5.685 ( 0.344 0.583 -1.746) 1.873 5.780 ( -4.356 7.955 4.427) 10.092 5.874 ( -4.017 4.988 -2.697) 6.949 5.931 ( -4.424 -4.527 3.335) 7.155 5.985 ( -4.503 -3.900 -0.479) 5.976 ======================= Grid point 178 (53/98) ======================= q-point: ( 0.23 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 10.733 -1.907 7.681) 13.335 1.259 ( 15.325 3.563 -0.332) 15.737 1.381 ( 9.929 -0.652 -4.459) 10.904 1.419 ( 12.340 -0.421 -4.226) 13.051 1.611 ( 3.129 -1.347 0.554) 3.452 1.660 ( 3.643 0.405 -2.735) 4.574 1.766 ( 2.353 4.617 1.751) 5.470 1.788 ( 5.351 3.392 0.136) 6.337 1.908 ( -1.336 2.074 1.388) 2.830 1.935 ( 0.811 2.248 1.983) 3.105 1.988 ( 1.143 -3.708 3.781) 5.418 2.073 ( 1.375 -1.517 -0.717) 2.169 2.171 ( 13.279 -6.414 8.164) 16.856 2.297 ( 9.150 3.022 0.761) 9.666 2.372 ( 10.892 -0.923 -5.566) 12.267 2.384 ( 6.195 1.167 -4.032) 7.483 2.504 ( 12.332 1.990 1.534) 12.586 2.584 ( 0.033 -0.399 -3.400) 3.424 2.611 ( 9.835 -1.480 -5.473) 11.353 2.640 ( 6.215 -1.197 -2.063) 6.657 2.790 ( -4.592 0.908 -1.034) 4.793 2.833 ( -1.989 -0.197 -2.979) 3.587 2.852 ( -1.374 0.321 3.435) 3.714 2.934 ( -5.888 -1.194 -2.689) 6.582 3.323 ( 0.884 0.102 7.962) 8.012 3.399 ( 1.113 -0.111 0.979) 1.487 4.003 ( 4.725 0.271 0.598) 4.770 4.020 ( 3.977 0.469 -0.773) 4.078 4.159 ( -3.226 -1.003 0.910) 3.499 4.182 ( -3.496 -0.458 -0.838) 3.624 4.452 ( -2.992 -1.678 2.042) 3.992 4.503 ( -1.630 -2.260 -1.887) 3.365 4.562 ( 6.204 0.782 2.202) 6.629 4.606 ( 5.259 -0.599 -0.800) 5.353 4.771 ( 0.278 0.936 1.218) 1.560 4.792 ( 3.048 0.921 -1.376) 3.468 4.831 ( -3.085 1.191 -0.723) 3.385 4.857 ( -3.578 0.337 -2.931) 4.637 4.961 ( -0.223 -0.257 1.939) 1.969 5.021 ( -0.453 -0.317 -1.753) 1.838 5.431 ( -1.532 0.822 2.728) 3.234 5.496 ( -1.516 -0.024 -2.784) 3.170 5.660 ( 0.982 0.626 1.173) 1.653 5.663 ( -2.638 7.595 3.000) 8.582 5.684 ( -1.452 0.278 1.969) 2.463 5.781 ( -2.965 4.433 -4.251) 6.820 5.882 ( -3.338 -2.629 1.797) 4.613 5.935 ( -3.272 -2.753 -1.849) 4.658 ======================= Grid point 179 (54/98) ======================= q-point: ( 0.31 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 9.592 -0.958 3.762) 10.348 1.449 ( 7.437 1.669 -6.365) 9.930 1.544 ( 6.367 1.372 0.983) 6.586 1.594 ( 5.911 1.530 -2.698) 6.675 1.693 ( 4.771 -0.413 2.199) 5.269 1.736 ( 3.701 0.709 -0.963) 3.889 1.795 ( 4.422 3.281 1.705) 5.764 1.825 ( 1.162 2.906 -0.348) 3.149 1.896 ( -1.104 2.734 2.294) 3.736 1.921 ( 1.683 2.764 -1.245) 3.468 2.008 ( 2.482 -1.180 3.022) 4.085 2.067 ( 0.488 -0.540 -1.060) 1.286 2.283 ( -2.428 7.043 2.455) 7.844 2.378 ( -1.078 2.636 -3.248) 4.319 2.484 ( 3.295 -0.389 6.766) 7.536 2.523 ( 3.195 -1.924 -0.396) 3.750 2.609 ( 5.282 -1.625 -7.078) 8.979 2.671 ( 3.436 1.566 -5.161) 6.395 2.715 ( 1.006 -4.004 3.681) 5.531 2.762 ( 0.902 -4.940 -3.261) 5.988 2.814 ( 4.342 0.131 -1.688) 4.660 2.839 ( 1.180 -3.589 -2.846) 4.730 2.918 ( 10.198 -2.423 -0.152) 10.483 2.922 ( 8.110 -3.702 -0.374) 8.923 3.331 ( 0.144 0.528 8.047) 8.066 3.412 ( 0.359 0.716 0.628) 1.018 4.076 ( 3.151 -0.121 0.452) 3.185 4.086 ( 3.255 0.069 -0.401) 3.280 4.109 ( -2.040 -0.685 0.433) 2.195 4.119 ( -2.927 -0.294 -0.313) 2.959 4.400 ( -2.707 -0.470 2.977) 4.051 4.481 ( -1.409 -1.168 -3.430) 3.887 4.615 ( 1.521 3.197 2.056) 4.094 4.641 ( -0.340 1.173 0.638) 1.378 4.753 ( -3.350 0.597 -0.520) 3.443 4.765 ( -0.656 0.043 -1.800) 1.916 4.847 ( 2.740 -1.444 0.803) 3.200 4.879 ( 3.589 -1.194 -1.769) 4.176 4.992 ( 3.204 0.267 2.614) 4.144 5.055 ( 3.129 0.137 -2.043) 3.739 5.385 ( -2.532 1.440 2.276) 3.696 5.450 ( -3.299 0.297 -3.039) 4.495 5.570 ( -3.251 5.319 4.377) 7.617 5.642 ( -3.036 1.073 2.154) 3.874 5.663 ( -0.562 0.965 0.754) 1.347 5.719 ( -1.848 2.380 -4.108) 5.095 5.828 ( -3.396 -0.598 1.024) 3.597 5.883 ( -3.526 -1.260 -2.949) 4.766 ======================= Grid point 180 (55/98) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 7.646 -0.336 0.745) 7.690 1.542 ( 3.678 1.139 -3.533) 5.225 1.608 ( 1.989 -0.276 0.958) 2.225 1.651 ( 1.773 -0.215 -2.802) 3.322 1.718 ( -0.589 4.326 2.477) 5.020 1.749 ( 0.038 2.566 -0.508) 2.616 1.816 ( -2.039 1.641 1.034) 2.814 1.837 ( -1.862 1.073 -0.646) 2.244 1.941 ( 7.737 2.828 1.286) 8.337 1.961 ( 5.002 0.058 -0.379) 5.016 2.082 ( 3.659 2.469 2.730) 5.190 2.109 ( 3.597 0.691 0.599) 3.711 2.199 ( -1.525 4.044 0.882) 4.411 2.267 ( -5.397 4.217 -2.470) 7.281 2.502 ( -0.322 -1.491 0.348) 1.565 2.547 ( 0.153 0.935 -0.938) 1.333 2.672 ( 1.459 0.084 0.549) 1.561 2.729 ( 1.906 -0.334 -4.267) 4.685 2.749 ( -2.663 -5.535 -0.498) 6.163 2.767 ( -2.603 -7.245 -3.070) 8.288 2.835 ( 1.663 -1.042 -0.477) 2.020 2.881 ( 2.068 0.062 -2.911) 3.571 3.132 ( 9.196 -3.839 2.828) 10.359 3.177 ( 10.972 -4.036 -0.169) 11.692 3.329 ( 0.127 0.204 6.702) 6.706 3.409 ( 0.256 0.761 -0.188) 0.824 4.070 ( -1.141 -0.279 0.318) 1.217 4.076 ( -1.245 -0.149 -0.172) 1.266 4.142 ( 2.399 0.079 0.221) 2.411 4.146 ( 2.475 0.051 -0.098) 2.477 4.381 ( 0.739 -0.459 3.308) 3.421 4.475 ( 0.294 -0.539 -4.235) 4.279 4.596 ( -0.633 4.834 2.269) 5.378 4.640 ( 1.238 2.093 -0.092) 2.434 4.713 ( -0.347 0.403 0.360) 0.642 4.754 ( -0.371 0.118 -2.755) 2.782 4.893 ( 0.266 -2.671 2.406) 3.604 4.940 ( 1.614 -1.568 -1.546) 2.730 5.067 ( 4.962 0.301 1.918) 5.328 5.119 ( 3.855 0.237 -2.284) 4.487 5.328 ( -2.884 1.064 1.500) 3.421 5.376 ( -4.360 0.513 -2.554) 5.079 5.489 ( -2.878 3.324 5.150) 6.771 5.564 ( -4.384 1.055 2.064) 4.959 5.639 ( -1.326 0.535 0.239) 1.450 5.676 ( -2.022 0.990 -1.877) 2.931 5.768 ( -2.778 0.439 -0.293) 2.827 5.820 ( -3.562 -0.276 -3.584) 5.060 ======================= Grid point 181 (56/98) ======================= q-point: ( 0.46 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 2.488 -0.658 0.617) 2.646 1.608 ( 4.507 -0.154 -1.211) 4.670 1.630 ( -0.185 0.810 1.171) 1.435 1.664 ( -0.962 2.782 1.826) 3.464 1.676 ( -0.839 -1.850 -2.703) 3.381 1.731 ( -0.314 2.933 -2.664) 3.975 1.776 ( -0.963 0.128 0.293) 1.015 1.789 ( -1.871 0.730 -0.694) 2.125 2.029 ( 2.232 0.782 0.585) 2.436 2.042 ( 2.625 -0.169 -0.512) 2.680 2.098 ( 0.021 0.925 2.253) 2.436 2.128 ( -1.362 -0.112 1.070) 1.736 2.200 ( 0.720 1.626 1.645) 2.423 2.230 ( 3.608 2.281 0.002) 4.269 2.502 ( -0.193 -0.630 -0.641) 0.919 2.545 ( 0.024 0.769 -1.950) 2.096 2.684 ( -0.050 -0.087 2.319) 2.321 2.703 ( -1.742 -0.127 -1.564) 2.344 2.724 ( -2.430 -4.138 -4.036) 6.270 2.770 ( -0.332 -1.982 -2.684) 3.353 2.870 ( 0.928 -0.075 -1.251) 1.560 2.906 ( 0.788 0.199 -3.388) 3.485 3.265 ( 3.283 -2.156 4.705) 6.129 3.298 ( 1.676 0.055 3.351) 3.747 3.330 ( -0.281 0.031 5.324) 5.331 3.441 ( 2.313 -0.953 -3.510) 4.310 4.060 ( -0.226 -0.080 0.329) 0.407 4.066 ( -0.143 -0.046 -0.185) 0.239 4.169 ( 0.709 0.251 0.408) 0.856 4.175 ( 0.773 0.124 -0.119) 0.791 4.420 ( 2.051 -1.492 2.002) 3.232 4.476 ( -0.718 0.591 -2.224) 2.410 4.566 ( -0.173 2.296 2.797) 3.623 4.664 ( 2.455 2.391 -4.166) 5.394 4.728 ( 0.530 -0.877 1.311) 1.665 4.758 ( 1.194 0.018 -0.793) 1.434 4.883 ( -1.706 -1.393 2.776) 3.543 4.943 ( -1.384 -0.637 -2.232) 2.703 5.167 ( 5.653 0.120 0.903) 5.725 5.197 ( 4.669 0.131 -1.829) 5.016 5.262 ( -4.214 0.152 0.512) 4.248 5.288 ( -4.792 0.295 -1.809) 5.131 5.446 ( 0.172 1.565 5.135) 5.371 5.482 ( -3.671 0.120 3.217) 4.883 5.617 ( -0.632 0.138 0.252) 0.694 5.640 ( -1.186 0.297 -0.279) 1.254 5.731 ( -0.884 0.371 -1.996) 2.214 5.768 ( -1.654 0.011 -3.777) 4.123 ======================= Grid point 189 (57/98) ======================= q-point: ( 0.08 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( 11.481 0.000 12.818) 17.208 0.952 ( 20.038 0.000 4.696) 20.581 1.128 ( 15.574 0.000 -6.360) 16.822 1.206 ( 9.440 0.000 -9.975) 13.733 1.541 ( 26.148 0.000 11.658) 28.629 1.557 ( 2.814 0.000 2.447) 3.729 1.616 ( 6.222 0.000 -0.675) 6.258 1.736 ( 1.743 0.000 1.411) 2.243 1.754 ( 4.294 0.000 -1.487) 4.544 1.866 ( 9.106 0.000 -7.786) 11.981 1.918 ( 7.087 0.000 6.582) 9.672 1.990 ( 4.406 0.000 -1.114) 4.545 2.067 ( 5.914 0.000 -3.000) 6.631 2.136 ( -0.904 -0.000 -1.090) 1.416 2.234 ( 6.931 0.000 -0.264) 6.936 2.260 ( 4.762 0.000 -0.817) 4.832 2.318 ( 7.642 0.000 4.669) 8.956 2.452 ( 6.439 0.000 -5.915) 8.744 2.548 ( 3.040 0.000 -0.965) 3.189 2.596 ( -0.913 -0.000 -6.178) 6.245 2.840 ( -1.156 -0.000 -1.244) 1.699 2.842 ( -0.499 -0.000 -1.823) 1.890 2.967 ( -6.657 -0.000 5.396) 8.570 3.082 ( -7.794 -0.000 -3.801) 8.672 3.299 ( 1.419 0.000 7.302) 7.439 3.370 ( 1.222 0.000 0.694) 1.405 3.877 ( 10.676 0.000 1.921) 10.847 3.938 ( 6.152 0.000 -2.791) 6.755 4.208 ( -2.980 -0.000 1.031) 3.153 4.235 ( -2.457 -0.000 -1.324) 2.791 4.375 ( 10.723 0.000 2.526) 11.016 4.445 ( 5.520 0.000 -1.974) 5.863 4.504 ( -0.289 -0.000 -0.077) 0.299 4.517 ( 1.064 0.000 -1.504) 1.843 4.706 ( 6.893 0.000 -3.089) 7.554 4.759 ( 1.544 0.000 -4.213) 4.487 4.946 ( -3.909 -0.000 0.097) 3.910 4.953 ( -6.750 -0.000 0.916) 6.812 4.988 ( -3.506 -0.000 2.661) 4.402 5.079 ( -5.877 -0.000 -2.893) 6.550 5.446 ( 0.239 0.000 3.133) 3.142 5.501 ( 0.843 0.000 -1.868) 2.049 5.641 ( 1.082 0.000 1.602) 1.933 5.687 ( 0.321 0.000 -1.620) 1.651 5.858 ( -6.178 -0.000 3.395) 7.050 5.860 ( -2.793 -0.000 0.683) 2.875 5.933 ( -2.974 -0.000 -0.016) 2.974 5.944 ( -5.499 -0.000 0.465) 5.518 ======================= Grid point 190 (58/98) ======================= q-point: ( 0.15 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 11.357 -0.649 8.140) 13.988 1.287 ( 14.541 1.430 -3.048) 14.926 1.377 ( 10.691 -0.151 -3.522) 11.257 1.416 ( 14.383 -0.107 -3.664) 14.843 1.599 ( 2.413 -0.761 1.491) 2.937 1.661 ( 1.866 -0.085 -3.018) 3.550 1.805 ( 2.377 2.245 1.207) 3.485 1.814 ( 6.326 1.406 0.158) 6.483 1.925 ( 0.376 1.445 1.812) 2.348 1.942 ( 3.040 -1.702 0.616) 3.538 1.974 ( 1.272 1.403 5.376) 5.699 2.048 ( 2.868 -2.295 1.453) 3.951 2.123 ( 9.624 -2.307 7.254) 12.271 2.307 ( 13.747 -0.474 -4.285) 14.407 2.373 ( 5.988 0.930 -4.394) 7.485 2.401 ( 8.507 0.983 -1.962) 8.785 2.525 ( 12.377 1.488 0.164) 12.467 2.581 ( 0.426 0.109 -2.594) 2.631 2.593 ( 6.163 -1.625 -4.370) 7.728 2.632 ( 8.112 -0.379 -0.400) 8.131 2.798 ( -4.632 0.505 -1.525) 4.903 2.827 ( -1.607 -0.517 -3.521) 3.905 2.859 ( -2.580 0.540 2.487) 3.624 2.925 ( -8.301 -0.521 -2.408) 8.659 3.324 ( 1.149 0.064 7.939) 8.022 3.398 ( 1.491 -0.056 1.116) 1.863 4.005 ( 4.554 0.142 0.608) 4.597 4.024 ( 3.808 0.225 -0.885) 3.916 4.151 ( -3.135 -0.441 1.061) 3.339 4.177 ( -3.521 -0.255 -0.995) 3.668 4.439 ( -2.653 -0.689 1.936) 3.356 4.486 ( -1.248 -0.896 -1.653) 2.257 4.569 ( 7.628 0.391 1.813) 7.850 4.601 ( 4.985 -0.296 -0.294) 5.002 4.778 ( -0.522 0.377 0.930) 1.131 4.799 ( 2.677 0.362 -1.864) 3.282 4.839 ( -3.347 0.368 -0.611) 3.422 4.860 ( -4.539 0.223 -2.616) 5.244 4.958 ( 0.232 -0.160 2.039) 2.058 5.019 ( 0.002 -0.137 -1.715) 1.720 5.436 ( -1.401 0.222 2.364) 2.757 5.496 ( -1.449 -0.014 -2.642) 3.013 5.664 ( 0.802 0.171 1.524) 1.730 5.683 ( -0.992 0.034 1.261) 1.605 5.741 ( -3.770 6.128 2.607) 7.653 5.802 ( -4.444 -1.670 -1.958) 5.135 5.870 ( -1.763 1.640 0.125) 2.411 5.902 ( -2.572 -3.431 -1.620) 4.584 ======================= Grid point 191 (59/98) ======================= q-point: ( 0.23 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 10.084 -0.448 4.019) 10.865 1.459 ( 6.659 0.418 -7.899) 10.340 1.559 ( 5.531 1.171 1.191) 5.778 1.605 ( 4.827 0.654 -2.264) 5.371 1.691 ( 7.282 0.053 1.694) 7.477 1.735 ( 6.302 -0.501 -1.785) 6.569 1.826 ( 1.974 2.133 1.778) 3.407 1.850 ( -0.428 1.790 -0.363) 1.876 1.913 ( -1.073 -0.370 3.747) 3.915 1.950 ( -1.739 3.210 -0.231) 3.658 2.011 ( 6.853 1.460 1.333) 7.132 2.050 ( 1.610 -2.044 -0.346) 2.625 2.366 ( -0.648 7.669 1.539) 7.848 2.386 ( 5.685 -0.801 1.967) 6.069 2.493 ( -0.043 -0.104 3.276) 3.277 2.517 ( 5.035 2.926 1.015) 5.912 2.583 ( 2.863 -3.041 -4.847) 6.399 2.651 ( 0.704 -5.179 -0.225) 5.231 2.709 ( 3.086 -0.517 -2.205) 3.828 2.713 ( -3.522 -0.533 -6.425) 7.347 2.797 ( -0.091 -4.121 -2.408) 4.774 2.814 ( 6.069 -0.154 -2.080) 6.417 2.898 ( 7.984 -1.154 -0.355) 8.075 2.901 ( 8.741 -0.938 -0.628) 8.813 3.336 ( 0.181 0.369 8.307) 8.317 3.417 ( 0.588 0.369 0.789) 1.051 4.076 ( 3.298 0.124 0.455) 3.331 4.088 ( 3.048 0.168 -0.485) 3.091 4.102 ( -1.834 -0.544 0.575) 1.997 4.116 ( -2.850 -0.279 -0.466) 2.901 4.396 ( -2.062 -0.305 2.791) 3.483 4.471 ( -0.708 -0.722 -3.100) 3.261 4.637 ( 1.280 0.913 2.214) 2.715 4.656 ( 1.007 1.601 0.643) 1.997 4.757 ( -3.436 0.241 -0.445) 3.473 4.762 ( -0.195 -0.579 -0.639) 0.884 4.837 ( 1.437 -0.411 -0.093) 1.498 4.869 ( 3.019 -0.689 -2.404) 3.920 4.994 ( 3.266 0.148 2.633) 4.198 5.056 ( 3.163 0.065 -1.853) 3.666 5.395 ( -2.642 0.543 1.755) 3.218 5.452 ( -3.164 0.142 -2.919) 4.307 5.618 ( -4.232 3.288 3.562) 6.435 5.647 ( -2.955 0.079 3.375) 4.486 5.681 ( -0.843 2.691 0.574) 2.878 5.734 ( -3.190 -0.133 -2.660) 4.155 5.826 ( -2.542 0.506 -0.475) 2.635 5.868 ( -2.755 -1.616 -2.932) 4.336 ======================= Grid point 192 (60/98) ======================= q-point: ( 0.31 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( 7.952 -0.060 0.666) 7.980 1.552 ( 3.629 0.748 -5.112) 6.314 1.606 ( 1.403 -0.054 1.149) 1.814 1.644 ( 0.597 -0.865 -2.133) 2.378 1.753 ( 0.626 1.911 1.362) 2.429 1.774 ( -0.622 1.911 -0.406) 2.051 1.841 ( -2.308 3.363 1.642) 4.397 1.854 ( -0.660 2.057 0.468) 2.211 1.947 ( 5.280 -1.636 0.647) 5.565 1.959 ( 4.734 -0.654 0.197) 4.783 2.115 ( 4.425 2.972 1.587) 5.561 2.121 ( 4.410 2.066 1.182) 5.011 2.258 ( -3.363 6.956 1.248) 7.826 2.318 ( -6.759 5.273 -2.074) 8.820 2.485 ( -0.226 -1.979 1.629) 2.573 2.549 ( -0.246 -0.626 -0.623) 0.917 2.625 ( -1.775 -7.821 0.980) 8.079 2.656 ( -3.232 -8.700 -1.027) 9.338 2.732 ( 0.875 0.476 -4.798) 4.901 2.753 ( 3.311 1.842 -5.255) 6.478 2.825 ( 2.661 -1.039 0.614) 2.922 2.894 ( 3.670 1.853 -2.886) 5.023 3.096 ( 9.398 -2.894 2.162) 10.068 3.135 ( 11.699 -3.815 -0.650) 12.322 3.332 ( -0.224 0.218 7.529) 7.536 3.416 ( -0.276 0.540 0.060) 0.609 4.069 ( -0.955 -0.050 0.308) 1.004 4.075 ( -1.142 -0.054 -0.216) 1.163 4.143 ( 2.763 0.038 0.213) 2.772 4.147 ( 2.617 0.114 -0.142) 2.624 4.377 ( 0.090 -0.291 3.318) 3.332 4.470 ( 0.293 -0.412 -4.124) 4.155 4.643 ( -0.579 3.744 1.712) 4.157 4.657 ( 2.111 1.491 1.627) 3.054 4.717 ( -0.730 0.431 -0.327) 0.909 4.753 ( -0.951 -0.446 -2.736) 2.931 4.867 ( 0.344 -2.084 2.455) 3.238 4.925 ( 1.879 -1.192 -2.269) 3.178 5.069 ( 4.894 0.197 1.963) 5.276 5.121 ( 3.862 0.117 -2.080) 4.388 5.336 ( -3.378 0.528 1.166) 3.613 5.380 ( -4.375 0.351 -2.555) 5.078 5.523 ( -3.921 2.856 4.672) 6.735 5.573 ( -4.665 0.531 3.210) 5.688 5.646 ( -1.699 0.810 0.036) 1.883 5.683 ( -2.512 0.176 -0.867) 2.663 5.774 ( -2.563 0.575 -1.498) 3.023 5.816 ( -3.176 -0.381 -3.645) 4.850 ======================= Grid point 193 (61/98) ======================= q-point: ( 0.38 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 1.587 0.440 -0.524) 1.728 1.607 ( 4.432 -0.009 -1.776) 4.774 1.630 ( 1.107 -0.302 -0.058) 1.149 1.653 ( -0.594 -2.032 -2.565) 3.326 1.716 ( -2.838 6.001 3.290) 7.409 1.755 ( -0.363 1.106 -0.326) 1.208 1.780 ( -1.680 0.563 0.283) 1.794 1.808 ( -2.240 3.100 -1.280) 4.033 2.022 ( 1.076 -1.722 0.784) 2.177 2.035 ( 2.166 -1.390 -0.383) 2.601 2.109 ( -1.129 1.642 2.215) 2.979 2.141 ( -1.134 2.276 0.933) 2.709 2.213 ( -1.896 0.733 1.396) 2.466 2.246 ( 0.776 0.532 -0.323) 0.995 2.489 ( -0.127 -2.160 -0.043) 2.165 2.537 ( -1.648 -2.088 -1.858) 3.244 2.636 ( -0.152 -4.890 -0.263) 4.899 2.640 ( -2.445 -7.135 -1.824) 7.759 2.751 ( 2.750 3.957 -1.633) 5.087 2.784 ( 1.906 2.130 -4.754) 5.547 2.874 ( 1.785 0.918 0.243) 2.022 2.930 ( 1.977 3.798 -2.864) 5.151 3.241 ( 4.481 -2.230 4.657) 6.836 3.296 ( 3.454 -0.453 2.130) 4.083 3.329 ( -0.161 -0.121 5.227) 5.231 3.426 ( 1.703 -1.657 -2.392) 3.372 4.060 ( -0.046 0.173 0.310) 0.358 4.067 ( -0.011 0.128 -0.192) 0.231 4.174 ( 0.748 0.604 0.278) 1.000 4.178 ( 0.781 0.324 -0.066) 0.848 4.402 ( 1.626 -1.860 2.663) 3.632 4.477 ( -0.265 -0.345 -3.394) 3.422 4.596 ( -2.012 3.245 2.847) 4.763 4.686 ( -0.285 1.499 -4.456) 4.710 4.719 ( 1.420 -0.663 2.393) 2.861 4.757 ( 1.337 -0.295 -0.766) 1.569 4.869 ( -0.390 -1.279 2.914) 3.206 4.938 ( -0.571 -0.414 -2.754) 2.843 5.168 ( 5.536 0.086 0.948) 5.617 5.198 ( 4.507 0.064 -1.753) 4.836 5.263 ( -4.492 0.098 0.539) 4.525 5.291 ( -5.016 0.237 -1.878) 5.362 5.462 ( -0.925 1.389 4.732) 5.017 5.483 ( -4.335 0.067 3.660) 5.674 5.619 ( -0.791 0.196 0.293) 0.866 5.642 ( -1.489 0.116 0.097) 1.497 5.735 ( -1.282 0.255 -2.399) 2.732 5.769 ( -1.559 0.107 -3.822) 4.129 ======================= Grid point 194 (62/98) ======================= q-point: (-0.54 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( -2.765 0.850 1.853) 3.435 1.609 ( -4.172 0.102 -0.411) 4.194 1.616 ( 0.000 -0.505 1.659) 1.734 1.654 ( -0.993 0.304 0.618) 1.209 1.681 ( 2.216 -1.711 -3.437) 4.433 1.719 ( -2.764 1.649 -3.493) 4.749 1.776 ( 0.657 0.081 0.220) 0.698 1.784 ( 1.743 -0.264 -0.453) 1.821 2.009 ( -3.798 -2.677 1.382) 4.848 2.035 ( -3.401 -1.790 -0.849) 3.936 2.093 ( -0.574 0.309 3.058) 3.127 2.140 ( 2.215 1.659 0.138) 2.771 2.181 ( -1.926 -1.930 1.564) 3.143 2.201 ( -5.286 -3.141 0.300) 6.156 2.506 ( 0.964 0.102 -1.890) 2.124 2.524 ( -1.126 -2.816 -2.055) 3.663 2.652 ( 0.099 -4.029 -0.393) 4.049 2.670 ( 1.518 -3.549 -2.579) 4.642 2.786 ( 3.123 4.892 -0.748) 5.852 2.815 ( 3.053 3.646 -1.536) 4.998 2.880 ( -0.096 2.194 -0.584) 2.272 2.932 ( 0.731 4.962 -3.563) 6.152 3.281 ( -1.300 0.294 4.969) 5.144 3.302 ( -1.308 1.410 3.177) 3.714 3.329 ( 0.266 -0.146 5.373) 5.381 3.444 ( -1.797 -0.524 -3.882) 4.310 4.062 ( 0.380 0.331 0.290) 0.582 4.068 ( 0.221 0.229 -0.161) 0.356 4.169 ( -0.826 0.304 0.421) 0.976 4.175 ( -0.786 0.185 -0.114) 0.815 4.428 ( -1.073 -0.284 1.528) 1.889 4.466 ( 0.147 -1.008 -0.814) 1.304 4.551 ( -1.857 -0.660 1.924) 2.753 4.639 ( -3.767 -2.363 -3.761) 5.824 4.736 ( -0.911 0.632 0.697) 1.310 4.757 ( -0.998 -0.174 -0.801) 1.291 4.897 ( 2.956 1.176 2.687) 4.164 4.951 ( 2.056 0.762 -1.891) 2.896 5.166 ( -5.796 -0.131 0.847) 5.859 5.196 ( -4.902 -0.198 -1.862) 5.248 5.260 ( 3.856 -0.179 0.485) 3.890 5.285 ( 4.576 -0.280 -1.767) 4.913 5.430 ( -1.161 -1.381 5.442) 5.733 5.481 ( 2.893 -0.142 2.709) 3.965 5.616 ( 0.504 -0.044 0.240) 0.560 5.636 ( 0.757 -0.415 -0.573) 1.036 5.727 ( 0.590 -0.373 -1.530) 1.682 5.769 ( 1.640 0.072 -3.770) 4.112 ======================= Grid point 195 (63/98) ======================= q-point: (-0.46 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( -7.371 0.638 0.972) 7.462 1.528 ( -4.606 -1.371 -1.006) 4.910 1.612 ( -2.421 0.508 0.264) 2.487 1.641 ( -2.935 -2.372 -1.894) 4.223 1.676 ( 0.259 -3.415 1.067) 3.587 1.722 ( 0.466 -2.272 -1.468) 2.744 1.804 ( 1.504 -0.653 1.243) 2.057 1.830 ( 2.276 -0.349 -1.114) 2.558 1.904 ( -8.371 -3.747 2.039) 9.395 1.944 ( -6.735 -2.997 -1.264) 7.480 2.071 ( -2.376 0.208 3.739) 4.435 2.092 ( -4.680 -2.582 0.472) 5.365 2.174 ( 1.305 -1.426 -0.274) 1.952 2.240 ( 5.767 -0.146 -2.100) 6.139 2.517 ( 0.674 1.388 -1.588) 2.215 2.527 ( -0.019 -2.778 -1.043) 2.967 2.658 ( -1.121 -1.434 -0.273) 1.841 2.716 ( 0.349 -2.094 -4.770) 5.221 2.802 ( 0.159 3.141 0.931) 3.280 2.827 ( -0.612 2.532 -0.526) 2.658 2.857 ( -0.211 4.001 -0.684) 4.065 2.912 ( 0.792 6.019 -3.305) 6.912 3.173 ( -8.646 3.769 3.399) 10.025 3.217 ( -8.989 3.529 0.745) 9.686 3.328 ( -0.427 -0.017 5.535) 5.551 3.400 ( -1.065 -0.814 -0.623) 1.478 4.074 ( 1.331 0.484 0.233) 1.436 4.078 ( 1.280 0.184 -0.081) 1.296 4.142 ( -2.119 0.097 0.305) 2.143 4.147 ( -2.264 0.249 -0.089) 2.280 4.386 ( -1.328 0.560 3.270) 3.574 4.480 ( 0.122 0.275 -4.119) 4.130 4.545 ( 0.057 -4.659 2.479) 5.278 4.612 ( -0.609 -3.174 -2.092) 3.850 4.710 ( -0.247 -0.091 1.235) 1.263 4.752 ( 0.017 -0.278 -2.225) 2.243 4.921 ( -0.053 2.574 2.224) 3.402 4.957 ( -1.308 1.677 -0.918) 2.317 5.063 ( -5.038 -0.364 1.836) 5.374 5.116 ( -3.839 -0.415 -2.500) 4.600 5.314 ( 1.899 -1.644 2.272) 3.387 5.370 ( 4.312 -0.565 -2.660) 5.098 5.456 ( 2.194 -2.720 5.080) 6.166 5.552 ( 3.812 -1.337 0.667) 4.095 5.634 ( 1.185 -0.311 0.278) 1.256 5.664 ( 1.411 -1.268 -1.941) 2.713 5.764 ( 3.110 -0.346 0.569) 3.181 5.822 ( 3.802 0.142 -3.528) 5.188 ======================= Grid point 196 (64/98) ======================= q-point: (-0.38 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( -8.885 1.388 3.293) 9.576 1.422 ( -8.914 -3.296 -2.690) 9.877 1.535 ( -5.996 -0.352 -1.198) 6.125 1.572 ( -6.129 -2.423 -3.169) 7.312 1.688 ( -3.741 -2.321 3.260) 5.478 1.720 ( -0.899 -1.905 0.830) 2.264 1.761 ( -4.470 -2.710 0.829) 5.292 1.797 ( -5.643 -2.274 -1.207) 6.203 1.874 ( 2.320 -1.428 1.097) 2.938 1.887 ( -2.039 -3.272 -0.489) 3.887 2.022 ( -0.421 -0.189 2.194) 2.242 2.055 ( -1.292 -1.861 -0.373) 2.296 2.233 ( 2.859 -2.413 1.598) 4.068 2.348 ( 4.028 -1.915 -3.687) 5.787 2.499 ( -3.908 1.634 3.624) 5.575 2.539 ( -0.201 0.881 -0.794) 1.202 2.613 ( -5.574 -0.485 -5.277) 7.691 2.666 ( -3.694 0.969 -4.512) 5.911 2.750 ( -2.345 2.306 2.792) 4.314 2.809 ( -1.178 0.484 -2.299) 2.628 2.814 ( -4.217 3.507 -0.251) 5.491 2.874 ( -5.785 3.347 -3.047) 7.345 2.951 ( -11.615 3.655 0.905) 12.210 2.974 ( -7.334 5.699 -0.625) 9.309 3.325 ( -0.087 -0.399 7.479) 7.491 3.403 ( -0.035 -0.966 0.478) 1.078 4.079 ( -3.239 0.519 0.391) 3.303 4.087 ( -3.434 0.277 -0.276) 3.456 4.116 ( 2.521 0.535 0.280) 2.592 4.122 ( 2.913 0.224 -0.125) 2.925 4.405 ( 3.376 0.471 3.231) 4.697 4.494 ( 2.053 1.178 -3.804) 4.480 4.575 ( -0.278 -4.291 2.328) 4.889 4.626 ( 0.364 -1.818 -0.683) 1.976 4.745 ( 3.389 -0.949 -0.452) 3.548 4.761 ( 0.925 -0.573 -1.807) 2.109 4.867 ( -3.970 2.215 1.251) 4.715 4.894 ( -4.189 1.525 -1.037) 4.576 4.989 ( -3.125 -0.323 2.573) 4.061 5.053 ( -3.066 -0.229 -2.314) 3.848 5.363 ( 2.143 -2.933 3.660) 5.157 5.446 ( 3.466 -0.464 -3.286) 4.799 5.517 ( 2.166 -4.299 4.187) 6.380 5.623 ( 2.585 -2.388 -0.841) 3.619 5.657 ( 1.025 -0.289 1.387) 1.748 5.693 ( 0.777 -2.223 -2.904) 3.739 5.834 ( 4.134 0.450 1.506) 4.423 5.894 ( 4.060 0.830 -2.965) 5.096 ======================= Grid point 197 (65/98) ======================= q-point: (-0.31 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( -9.604 2.974 6.660) 12.060 1.220 ( -14.800 -3.583 2.199) 15.386 1.387 ( -10.193 0.331 -4.817) 11.279 1.427 ( -8.870 1.282 -4.899) 10.214 1.614 ( -4.629 -1.626 -0.388) 4.921 1.648 ( -6.411 -1.918 -2.391) 7.106 1.724 ( -1.743 -2.643 1.737) 3.611 1.748 ( -2.696 -3.945 0.377) 4.793 1.880 ( 0.438 -2.658 3.319) 4.275 1.920 ( 1.445 -0.808 2.053) 2.637 2.029 ( -0.357 3.611 0.982) 3.759 2.066 ( -0.276 -3.451 -0.614) 3.516 2.235 ( -7.877 2.335 5.894) 10.111 2.274 ( -12.353 2.598 3.053) 12.987 2.354 ( -8.964 -2.309 -2.907) 9.702 2.407 ( -9.467 2.828 -5.375) 11.248 2.494 ( -12.274 0.485 1.936) 12.435 2.587 ( -1.719 0.067 -2.513) 3.046 2.622 ( -11.238 0.837 -6.584) 13.052 2.658 ( -4.912 2.265 -5.795) 7.927 2.782 ( 4.599 -0.495 0.319) 4.637 2.828 ( 1.950 -0.784 0.541) 2.170 2.857 ( -0.390 0.785 1.710) 1.921 2.947 ( 2.371 0.992 -2.965) 3.924 3.323 ( -0.458 -0.034 7.868) 7.882 3.400 ( -0.501 0.044 0.777) 0.925 4.000 ( -5.044 -0.094 0.596) 5.080 4.016 ( -4.243 -0.254 -0.618) 4.295 4.170 ( 3.200 0.913 0.622) 3.386 4.185 ( 3.287 0.093 -0.544) 3.333 4.471 ( 3.147 1.627 2.203) 4.172 4.528 ( 2.051 1.888 -1.809) 3.323 4.556 ( -3.569 0.037 2.081) 4.131 4.612 ( -4.338 0.517 -1.418) 4.593 4.761 ( -2.218 -0.899 1.632) 2.897 4.781 ( -3.595 -1.152 -0.571) 3.818 4.816 ( 1.700 -1.538 -0.800) 2.427 4.853 ( 3.421 -0.428 -3.531) 4.935 4.963 ( 0.586 0.066 1.978) 2.064 5.025 ( 1.008 0.295 -1.798) 2.082 5.416 ( 1.888 -2.071 3.818) 4.736 5.496 ( 1.639 -0.022 -3.075) 3.485 5.583 ( 1.900 -6.937 3.962) 8.212 5.651 ( -0.513 -1.271 0.143) 1.379 5.682 ( 1.183 -0.126 1.376) 1.819 5.730 ( 1.841 -4.751 -3.972) 6.460 5.907 ( 4.351 1.913 1.652) 5.032 5.960 ( 3.842 2.010 -1.987) 4.769 ======================= Grid point 198 (66/98) ======================= q-point: (-0.23 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( -16.743 0.138 6.279) 17.882 0.955 ( -9.734 4.664 11.419) 15.714 1.154 ( -13.050 2.566 -6.931) 14.998 1.261 ( -8.189 4.236 -8.247) 12.370 1.523 ( -6.253 -3.316 -0.398) 7.089 1.549 ( -6.880 -2.747 -1.952) 7.661 1.688 ( -10.520 4.068 4.697) 12.218 1.720 ( -1.252 -1.599 1.643) 2.613 1.770 ( -12.771 5.970 3.745) 14.586 1.863 ( -6.964 -1.359 1.641) 7.283 1.931 ( -8.266 2.111 0.909) 8.580 1.951 ( -5.086 -1.664 -0.897) 5.425 2.108 ( -3.649 -1.034 -0.830) 3.882 2.123 ( -4.342 -1.871 4.057) 6.230 2.174 ( -6.462 -4.441 -2.255) 8.158 2.231 ( -9.146 1.744 -2.794) 9.721 2.319 ( -4.323 -0.741 1.211) 4.550 2.439 ( -8.078 -1.353 -5.944) 10.121 2.575 ( -2.647 2.426 -2.443) 4.343 2.604 ( 1.099 0.650 -6.190) 6.320 2.835 ( 1.337 -0.419 -0.564) 1.510 2.854 ( 0.076 0.442 -0.998) 1.094 2.927 ( 5.896 -2.853 4.519) 7.958 3.037 ( 5.554 -4.038 -3.769) 7.833 3.309 ( -0.646 0.904 7.700) 7.780 3.389 ( -0.178 1.353 0.364) 1.413 3.867 ( -10.952 -0.837 1.835) 11.136 3.920 ( -7.201 -1.334 -2.339) 7.688 4.208 ( 0.655 -0.240 0.406) 0.807 4.225 ( 0.432 -1.159 -1.048) 1.621 4.402 ( -8.116 2.471 2.432) 8.826 4.459 ( -6.870 1.161 -1.751) 7.184 4.526 ( -1.303 2.035 0.967) 2.603 4.554 ( 2.045 2.831 -0.367) 3.512 4.694 ( -4.088 -0.553 -1.667) 4.449 4.766 ( 0.142 -0.367 -5.383) 5.397 4.899 ( 3.415 -3.198 0.594) 4.716 4.918 ( 4.018 -1.584 0.262) 4.327 5.005 ( 3.920 0.544 3.038) 4.990 5.104 ( 6.725 1.377 -3.668) 7.783 5.444 ( 0.320 -0.331 3.471) 3.502 5.503 ( -0.833 0.067 -2.019) 2.185 5.631 ( -0.569 -1.628 1.551) 2.319 5.665 ( 0.778 -4.088 0.108) 4.163 5.709 ( 2.430 -3.822 3.524) 5.738 5.814 ( 3.902 -5.906 -2.624) 7.549 5.976 ( 4.681 3.682 1.958) 6.269 6.021 ( 4.483 2.970 -0.716) 5.425 ======================= Grid point 199 (67/98) ======================= q-point: (-0.15 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( -13.301 5.314 11.163) 18.160 0.749 ( -9.840 8.093 14.173) 19.058 0.914 ( -9.648 5.440 -10.564) 15.306 1.049 ( -11.717 6.427 -10.381) 16.922 1.178 ( -20.253 14.171 17.228) 30.129 1.458 ( -5.676 -1.508 3.640) 6.910 1.478 ( -3.815 -4.290 -1.908) 6.050 1.630 ( -10.524 -0.805 -10.778) 15.086 1.713 ( -3.489 -1.128 2.107) 4.229 1.727 ( -1.170 -1.217 0.729) 1.839 1.761 ( -4.992 -0.959 1.775) 5.384 1.855 ( -6.693 1.940 -5.532) 8.897 2.052 ( -0.966 -0.678 6.424) 6.531 2.105 ( -0.559 -5.745 1.407) 5.941 2.122 ( -0.587 -1.784 -2.582) 3.193 2.212 ( 1.650 -2.297 -0.783) 2.935 2.266 ( -1.621 -0.347 0.373) 1.699 2.322 ( -5.673 -3.164 -4.443) 7.870 2.528 ( -0.828 2.766 1.363) 3.193 2.629 ( 2.112 0.796 -7.267) 7.610 2.853 ( 0.179 -0.419 -0.447) 0.638 2.861 ( 1.407 0.365 -1.630) 2.184 3.038 ( 3.751 -3.624 5.080) 7.281 3.154 ( 3.796 -5.537 -4.133) 7.884 3.296 ( 0.232 1.920 7.517) 7.762 3.379 ( -0.015 2.125 -0.302) 2.146 3.589 ( -17.418 -0.364 3.152) 17.705 3.717 ( -17.378 -2.295 -8.042) 19.286 4.182 ( -3.000 -1.164 -0.352) 3.237 4.194 ( -5.388 -2.800 -2.021) 6.400 4.311 ( -0.471 2.148 1.203) 2.506 4.343 ( -2.303 1.859 -1.768) 3.447 4.484 ( -2.483 1.262 3.215) 4.253 4.557 ( -0.032 5.095 -3.212) 6.023 4.635 ( -1.098 3.350 1.777) 3.948 4.760 ( 0.008 2.166 -6.885) 7.217 4.972 ( 2.622 -3.638 1.040) 4.603 5.005 ( 3.008 -3.510 -1.198) 4.775 5.081 ( 3.650 -0.062 5.337) 6.466 5.207 ( 4.701 2.161 -4.553) 6.892 5.442 ( -0.154 0.260 2.083) 2.104 5.476 ( -1.621 0.101 -1.144) 1.987 5.628 ( -0.121 -0.375 1.347) 1.404 5.675 ( -0.166 -0.739 -2.273) 2.395 5.812 ( 3.367 -8.177 5.737) 10.541 5.916 ( 3.146 -4.698 -2.232) 6.078 6.046 ( 4.992 2.119 4.975) 7.359 6.110 ( 6.895 2.073 -0.088) 7.201 ======================= Grid point 200 (68/98) ======================= q-point: (-0.08 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.457 ( 0.000 10.309 14.747) 17.993 0.517 ( 0.000 12.465 15.464) 19.863 0.788 ( 0.000 5.912 -8.313) 10.201 0.867 ( 0.000 5.680 -13.905) 15.020 0.920 ( 0.000 10.315 25.952) 27.927 1.394 ( -0.000 -0.774 6.092) 6.141 1.498 ( -0.000 -1.132 -2.871) 3.086 1.508 ( -0.000 -4.241 -15.510) 16.079 1.665 ( -0.000 -2.776 4.176) 5.014 1.723 ( -0.000 -0.696 0.509) 0.862 1.737 ( -0.000 -0.017 -0.527) 0.527 1.781 ( 0.000 3.108 -5.742) 6.529 2.049 ( 0.000 0.395 3.935) 3.955 2.116 ( -0.000 -1.985 -1.310) 2.378 2.157 ( -0.000 -6.362 2.434) 6.812 2.242 ( -0.000 -0.963 0.800) 1.252 2.263 ( -0.000 -1.708 -0.823) 1.896 2.277 ( -0.000 -2.528 -2.618) 3.639 2.511 ( 0.000 2.025 2.261) 3.035 2.665 ( -0.000 -0.125 -8.047) 8.048 2.861 ( -0.000 -0.842 -0.751) 1.129 2.879 ( 0.000 1.303 -3.260) 3.511 3.094 ( -0.000 -3.470 5.465) 6.473 3.220 ( -0.000 -4.727 -4.502) 6.528 3.315 ( 0.000 0.398 8.842) 8.851 3.358 ( 0.000 0.334 0.361) 0.492 3.367 ( 0.000 0.277 -0.348) 0.444 3.429 ( 0.000 6.600 -2.537) 7.071 4.131 ( -0.000 -0.356 0.891) 0.959 4.155 ( -0.000 -0.269 -0.927) 0.965 4.312 ( -0.000 -0.016 0.862) 0.862 4.333 ( -0.000 -0.103 -0.829) 0.836 4.443 ( 0.000 1.636 3.885) 4.215 4.516 ( 0.000 6.707 -3.370) 7.506 4.613 ( 0.000 2.767 3.802) 4.702 4.749 ( 0.000 2.010 -6.672) 6.968 5.017 ( -0.000 -2.992 0.885) 3.120 5.050 ( -0.000 -2.402 -1.800) 3.002 5.122 ( -0.000 -1.365 5.518) 5.684 5.241 ( 0.000 2.074 -4.117) 4.610 5.440 ( 0.000 0.082 0.678) 0.683 5.458 ( 0.000 0.080 -0.678) 0.683 5.628 ( -0.000 -0.174 1.182) 1.195 5.676 ( -0.000 -0.264 -2.488) 2.501 5.881 ( -0.000 -5.773 3.687) 6.850 5.956 ( -0.000 -0.779 -2.552) 2.668 6.109 ( -0.000 -2.309 6.269) 6.681 6.213 ( -0.000 -2.258 -2.398) 3.294 ======================= Grid point 203 (69/98) ======================= q-point: ( 0.15 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 10.259 0.000 4.106) 11.050 1.461 ( 6.548 0.000 -8.103) 10.418 1.565 ( 4.853 0.000 0.909) 4.937 1.608 ( 4.170 0.000 -2.117) 4.676 1.692 ( 8.570 0.000 1.353) 8.676 1.731 ( 7.251 0.000 -1.778) 7.466 1.837 ( 1.122 0.000 1.355) 1.759 1.860 ( -0.942 -0.000 -0.833) 1.258 1.907 ( -1.321 -0.000 5.208) 5.373 1.971 ( -4.073 -0.000 -0.111) 4.074 2.023 ( 7.222 0.000 0.627) 7.249 2.035 ( 4.553 0.000 0.044) 4.553 2.377 ( 9.183 0.000 4.597) 10.270 2.418 ( 0.628 0.000 0.483) 0.792 2.489 ( 2.255 0.000 0.703) 2.362 2.550 ( 5.920 0.000 0.768) 5.969 2.560 ( -0.839 -0.000 -0.246) 0.875 2.608 ( -3.754 -0.000 0.093) 3.755 2.687 ( -2.605 -0.000 -7.022) 7.490 2.743 ( 2.511 0.000 -9.105) 9.445 2.761 ( 0.006 0.000 1.744) 1.744 2.813 ( 6.483 0.000 -2.286) 6.874 2.893 ( 7.532 0.000 -0.339) 7.539 2.897 ( 7.982 0.000 -0.713) 8.013 3.338 ( 0.189 0.000 8.374) 8.376 3.419 ( 0.670 0.000 0.858) 1.088 4.077 ( 3.554 0.000 0.428) 3.579 4.089 ( 2.857 0.000 -0.488) 2.899 4.099 ( -1.785 -0.000 0.627) 1.892 4.114 ( -2.864 -0.000 -0.524) 2.912 4.394 ( -1.792 -0.000 2.724) 3.260 4.467 ( -0.413 -0.000 -2.975) 3.004 4.641 ( 0.682 0.000 2.362) 2.459 4.666 ( 2.225 0.000 0.345) 2.252 4.757 ( -0.257 -0.000 0.108) 0.279 4.759 ( -3.472 -0.000 -0.394) 3.495 4.836 ( 0.986 0.000 -0.495) 1.103 4.866 ( 2.765 0.000 -2.694) 3.861 4.995 ( 3.290 0.000 2.639) 4.218 5.056 ( 3.174 0.000 -1.786) 3.642 5.398 ( -2.665 -0.000 1.635) 3.127 5.453 ( -3.114 -0.000 -2.882) 4.243 5.636 ( -3.981 -0.000 2.589) 4.749 5.646 ( -2.937 -0.000 3.922) 4.900 5.712 ( -1.464 -0.000 1.229) 1.912 5.718 ( -3.773 -0.000 -1.672) 4.127 5.834 ( -2.905 -0.000 -1.786) 3.410 5.855 ( -1.815 -0.000 -2.833) 3.365 ======================= Grid point 204 (70/98) ======================= q-point: ( 0.23 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( 8.142 0.011 0.641) 8.167 1.557 ( 3.849 0.275 -5.851) 7.010 1.606 ( 1.055 0.018 1.029) 1.474 1.636 ( 0.173 -0.418 -1.463) 1.531 1.764 ( -0.026 0.417 0.801) 0.903 1.786 ( -0.728 0.446 -1.022) 1.332 1.873 ( 0.001 1.530 1.416) 2.085 1.883 ( -2.351 3.495 1.970) 4.650 1.929 ( 5.933 -1.218 0.524) 6.079 1.938 ( 4.043 -2.684 0.645) 4.895 2.139 ( 5.562 1.511 1.192) 5.886 2.142 ( 4.491 1.098 0.824) 4.696 2.340 ( -6.631 7.715 0.709) 10.198 2.368 ( -8.658 3.158 -0.447) 9.227 2.450 ( -2.187 -4.876 2.588) 5.937 2.525 ( -1.730 -3.542 -0.684) 4.001 2.567 ( 0.661 -1.284 -0.188) 1.456 2.585 ( -1.584 -4.301 -1.495) 4.821 2.735 ( 3.007 0.081 -6.648) 7.297 2.777 ( 2.259 2.106 -5.405) 6.225 2.812 ( 4.309 -1.264 3.229) 5.531 2.911 ( 4.887 1.033 -3.310) 5.992 3.075 ( 9.415 -0.994 1.538) 9.591 3.103 ( 11.515 -1.844 -0.611) 11.678 3.333 ( -0.446 0.091 7.938) 7.952 3.420 ( -0.521 0.194 0.177) 0.583 4.069 ( -0.846 0.017 0.270) 0.888 4.075 ( -1.065 -0.006 -0.226) 1.088 4.143 ( 3.036 -0.002 0.237) 3.046 4.148 ( 2.699 0.049 -0.185) 2.706 4.374 ( -0.335 -0.097 3.316) 3.334 4.467 ( 0.214 -0.150 -4.040) 4.049 4.659 ( 1.993 0.338 2.502) 3.216 4.684 ( 0.473 2.294 0.826) 2.484 4.721 ( -0.654 0.171 -0.553) 0.873 4.744 ( -1.734 -0.952 -1.767) 2.653 4.852 ( 0.280 -0.744 2.164) 2.305 4.916 ( 2.054 -0.466 -2.811) 3.513 5.071 ( 4.853 0.069 1.982) 5.243 5.122 ( 3.862 0.035 -1.962) 4.331 5.340 ( -3.561 0.155 1.073) 3.722 5.383 ( -4.375 0.123 -2.573) 5.077 5.545 ( -4.711 1.199 4.011) 6.303 5.576 ( -4.664 0.064 3.960) 6.118 5.654 ( -2.453 0.647 -0.502) 2.586 5.681 ( -2.279 -0.330 0.564) 2.371 5.779 ( -2.703 0.344 -2.430) 3.651 5.813 ( -2.741 -0.232 -3.670) 4.586 ======================= Grid point 205 (71/98) ======================= q-point: ( 0.31 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 1.062 0.815 -1.614) 2.096 1.608 ( 4.343 0.021 -2.359) 4.942 1.627 ( 1.272 -0.316 -0.327) 1.351 1.634 ( -0.670 -1.352 -1.425) 2.076 1.758 ( 0.095 0.229 0.651) 0.697 1.767 ( -0.791 1.624 0.132) 1.811 1.802 ( -4.207 4.839 2.658) 6.941 1.844 ( -2.154 3.131 -0.129) 3.802 1.997 ( 0.314 -2.914 1.761) 3.419 2.016 ( 1.650 -1.847 -0.591) 2.546 2.133 ( -1.975 2.406 2.448) 3.960 2.169 ( -2.212 2.959 0.792) 3.779 2.215 ( -4.983 -0.287 0.477) 5.014 2.238 ( -2.690 -2.145 -0.155) 3.444 2.456 ( 1.029 -3.172 0.258) 3.345 2.513 ( -1.606 -2.271 -3.604) 4.552 2.581 ( -0.705 -3.527 -0.786) 3.682 2.604 ( 2.126 -1.603 -1.848) 3.241 2.782 ( 3.252 1.669 -2.506) 4.432 2.800 ( 1.472 1.121 -4.701) 5.052 2.888 ( 3.095 1.365 2.894) 4.452 2.972 ( 3.111 3.618 -2.815) 5.540 3.221 ( 5.227 -1.499 4.224) 6.886 3.288 ( 6.122 -0.892 0.274) 6.193 3.328 ( 0.024 -0.152 5.455) 5.457 3.410 ( 0.003 -1.171 -0.903) 1.478 4.062 ( 0.079 0.194 0.266) 0.338 4.068 ( 0.104 0.139 -0.184) 0.253 4.180 ( 0.957 0.530 0.093) 1.098 4.181 ( 0.849 0.284 0.005) 0.895 4.385 ( 0.962 -1.285 3.138) 3.524 4.472 ( -0.097 -0.468 -3.954) 3.983 4.631 ( -3.246 3.244 2.202) 5.090 4.686 ( -3.685 -1.463 -1.493) 4.237 4.722 ( 3.325 1.149 0.506) 3.554 4.752 ( 1.589 -0.662 -0.692) 1.855 4.858 ( 0.652 -0.771 3.018) 3.183 4.935 ( 0.128 -0.197 -3.233) 3.242 5.169 ( 5.460 0.044 0.979) 5.547 5.199 ( 4.417 0.022 -1.680) 4.726 5.264 ( -4.662 0.045 0.560) 4.696 5.292 ( -5.184 0.130 -1.939) 5.536 5.474 ( -1.842 0.861 4.336) 4.789 5.484 ( -4.727 -0.013 3.980) 6.179 5.621 ( -0.954 0.163 0.327) 1.022 5.642 ( -1.603 -0.009 0.450) 1.665 5.737 ( -1.627 0.112 -2.648) 3.110 5.770 ( -1.441 0.110 -3.891) 4.150 ======================= Grid point 206 (72/98) ======================= q-point: (-0.62 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( -1.007 -0.704 1.307) 1.794 1.608 ( -2.879 -0.643 0.350) 2.970 1.634 ( -2.326 2.204 -0.443) 3.235 1.663 ( -1.675 0.640 -0.641) 1.904 1.664 ( -1.256 0.101 -0.800) 1.492 1.745 ( -4.126 2.578 -2.280) 5.373 1.777 ( 0.131 0.168 -0.179) 0.278 1.782 ( 1.726 -0.171 -0.451) 1.792 1.975 ( -4.672 -3.691 2.341) 6.398 2.009 ( -4.026 -2.693 -0.493) 4.868 2.103 ( -0.898 1.372 2.880) 3.314 2.151 ( -1.283 -0.225 0.167) 1.314 2.160 ( -2.120 -2.218 1.638) 3.478 2.175 ( -0.797 -0.559 -0.718) 1.209 2.488 ( -0.884 -2.750 -2.323) 3.707 2.510 ( 1.448 -0.276 -4.353) 4.596 2.608 ( 1.597 -3.593 0.087) 3.933 2.646 ( 1.622 -1.372 -1.841) 2.811 2.818 ( 1.533 1.563 -1.636) 2.733 2.835 ( 2.114 0.795 -2.497) 3.367 2.916 ( 1.728 3.909 2.310) 4.858 2.993 ( 1.698 5.531 -2.773) 6.416 3.275 ( -0.019 -0.842 5.328) 5.394 3.323 ( -0.510 1.211 4.545) 4.731 3.330 ( 0.104 1.529 2.488) 2.922 3.429 ( -0.848 -2.138 -3.488) 4.178 4.066 ( 0.438 0.340 0.227) 0.599 4.070 ( 0.218 0.251 -0.132) 0.358 4.175 ( -0.953 0.704 0.285) 1.219 4.179 ( -0.757 0.366 -0.042) 0.842 4.414 ( 0.746 -1.942 2.148) 2.990 4.459 ( -1.410 -0.322 -1.095) 1.814 4.550 ( -3.556 0.399 1.253) 3.791 4.616 ( -4.399 -1.889 -3.154) 5.734 4.741 ( -1.410 0.372 0.496) 1.540 4.755 ( -0.684 -0.181 -0.814) 1.079 4.908 ( 3.910 0.765 2.666) 4.795 4.959 ( 2.507 0.647 -1.782) 3.143 5.164 ( -5.936 -0.104 0.792) 5.989 5.193 ( -5.166 -0.198 -1.835) 5.486 5.259 ( 3.501 -0.147 0.461) 3.534 5.282 ( 4.421 -0.197 -1.764) 4.764 5.418 ( -1.866 -0.928 5.623) 5.997 5.480 ( 2.209 -0.117 2.255) 3.159 5.616 ( 0.434 0.047 0.280) 0.518 5.632 ( 0.332 -0.396 -0.770) 0.927 5.724 ( 0.430 -0.263 -1.135) 1.242 5.770 ( 1.552 0.085 -3.782) 4.089 ======================= Grid point 207 (73/98) ======================= q-point: (-0.54 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( -7.679 -0.334 1.771) 7.888 1.518 ( -5.789 -0.130 1.376) 5.951 1.610 ( -2.580 -2.654 0.221) 3.709 1.619 ( -3.262 0.472 -1.787) 3.750 1.642 ( -1.927 -3.077 -0.548) 3.672 1.705 ( 0.472 -1.095 -2.441) 2.717 1.800 ( 1.253 -0.064 1.445) 1.914 1.827 ( 2.357 -0.316 -1.290) 2.705 1.868 ( -7.413 -3.087 1.782) 8.225 1.909 ( -7.686 -3.223 -1.065) 8.402 2.063 ( -5.854 -2.448 0.779) 6.392 2.075 ( -2.242 -0.180 1.843) 2.908 2.163 ( 2.380 -0.276 1.988) 3.113 2.261 ( 6.567 3.412 -3.133) 8.036 2.491 ( -0.110 -3.667 -0.557) 3.711 2.532 ( 1.030 1.184 -4.394) 4.666 2.645 ( 0.089 -1.338 -0.488) 1.427 2.691 ( 1.959 -2.297 -2.531) 3.939 2.820 ( -1.436 0.971 -0.605) 1.836 2.838 ( -1.469 0.261 -1.606) 2.192 2.910 ( -0.098 4.980 1.883) 5.325 2.978 ( 0.051 5.625 -2.519) 6.163 3.207 ( -7.606 2.491 4.243) 9.058 3.253 ( -6.800 3.176 1.288) 7.615 3.330 ( -0.448 0.375 4.261) 4.301 3.391 ( -1.815 -0.865 -1.220) 2.352 4.079 ( 1.259 0.274 0.062) 1.289 4.080 ( 1.300 0.212 0.023) 1.318 4.145 ( -1.905 0.543 0.442) 2.030 4.152 ( -1.931 0.688 -0.110) 2.053 4.392 ( -1.617 0.617 3.187) 3.626 4.473 ( 1.486 -2.337 -0.946) 2.926 4.507 ( -1.579 -1.679 -0.414) 2.342 4.576 ( -0.800 -3.435 -3.436) 4.924 4.710 ( -0.609 0.164 1.697) 1.810 4.748 ( -0.211 -0.331 -1.642) 1.688 4.946 ( 0.243 2.053 2.138) 2.974 4.975 ( -0.996 1.531 -0.507) 1.896 5.059 ( -5.104 -0.356 1.706) 5.393 5.111 ( -3.854 -0.599 -2.617) 4.697 5.295 ( 0.593 -1.738 3.274) 3.754 5.364 ( 4.208 -0.511 -2.932) 5.154 5.433 ( 2.074 -1.678 4.611) 5.327 5.538 ( 3.144 -1.216 -0.595) 3.423 5.632 ( 1.117 -0.112 0.193) 1.139 5.651 ( 1.089 -1.101 -1.415) 2.098 5.761 ( 3.320 -0.282 1.075) 3.501 5.823 ( 3.928 0.052 -3.493) 5.257 ======================= Grid point 208 (74/98) ======================= q-point: (-0.46 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( -8.234 0.605 2.259) 8.560 1.388 ( -9.378 -2.363 0.342) 9.677 1.521 ( -6.345 -3.225 -2.368) 7.501 1.556 ( -4.462 0.085 -3.028) 5.393 1.655 ( -5.105 -3.086 3.424) 6.878 1.685 ( 0.161 -4.199 1.850) 4.591 1.755 ( -2.878 0.774 0.323) 2.998 1.769 ( -8.299 -3.144 -1.427) 8.988 1.859 ( -0.180 -1.694 0.884) 1.919 1.862 ( 2.432 -1.252 0.211) 2.743 1.984 ( -3.431 -4.749 1.044) 5.951 2.050 ( -0.318 -0.605 -1.570) 1.713 2.225 ( 3.556 0.698 2.080) 4.178 2.349 ( 3.765 1.823 -3.351) 5.360 2.505 ( -2.292 -0.970 0.974) 2.673 2.542 ( 1.146 0.358 -3.589) 3.784 2.613 ( -4.755 0.686 -1.604) 5.065 2.680 ( -4.476 1.308 -4.280) 6.329 2.763 ( -2.277 0.409 2.118) 3.137 2.803 ( -1.354 -0.635 -1.501) 2.119 2.858 ( -3.772 3.808 0.405) 5.375 2.911 ( -7.728 3.437 -2.556) 8.836 2.992 ( -12.392 3.956 2.105) 13.178 3.034 ( -8.959 5.400 -0.886) 10.498 3.323 ( -0.105 -0.110 6.606) 6.608 3.392 ( 0.309 -0.987 0.413) 1.113 4.087 ( -3.205 0.827 0.301) 3.323 4.092 ( -3.315 0.716 -0.167) 3.396 4.119 ( 2.911 0.205 0.231) 2.927 4.125 ( 2.398 0.317 -0.043) 2.420 4.410 ( 3.790 0.415 3.484) 5.165 4.504 ( 1.786 0.410 -3.392) 3.855 4.528 ( 1.314 -4.173 1.862) 4.755 4.601 ( 0.872 -2.912 -2.530) 3.955 4.735 ( 3.229 -0.765 0.137) 3.321 4.754 ( 0.748 -0.696 -1.257) 1.620 4.891 ( -4.674 2.267 1.305) 5.356 4.911 ( -4.668 1.558 -0.301) 4.930 4.986 ( -3.052 -0.287 2.480) 3.943 5.050 ( -2.938 -0.337 -2.591) 3.932 5.326 ( 1.368 -3.848 5.628) 6.953 5.440 ( 3.573 -0.615 -3.822) 5.268 5.483 ( 1.870 -2.253 3.222) 4.354 5.595 ( 1.809 -2.699 -3.373) 4.684 5.655 ( 1.229 -0.135 1.443) 1.901 5.675 ( 0.611 -1.331 -1.010) 1.779 5.837 ( 4.514 0.104 1.817) 4.867 5.901 ( 4.449 0.504 -3.016) 5.399 ======================= Grid point 209 (75/98) ======================= q-point: (-0.38 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( -9.749 1.285 3.395) 10.403 1.194 ( -11.224 0.491 4.738) 12.193 1.387 ( -9.439 -0.370 -4.417) 10.428 1.445 ( -6.550 2.021 -4.886) 8.418 1.576 ( -5.017 -4.827 0.917) 7.022 1.619 ( -8.474 -3.410 -2.077) 9.368 1.700 ( -2.609 -3.868 0.878) 4.748 1.718 ( -0.665 -0.401 -0.227) 0.810 1.861 ( 0.513 -0.777 5.095) 5.179 1.913 ( 2.020 -0.619 1.008) 2.341 1.999 ( -0.227 -8.428 1.603) 8.582 2.057 ( 0.542 1.571 -1.105) 1.995 2.235 ( -4.491 0.244 1.968) 4.909 2.325 ( -14.504 1.666 1.680) 14.695 2.343 ( -7.159 2.095 -1.117) 7.542 2.429 ( -11.504 1.588 -3.603) 12.159 2.517 ( -9.521 3.513 1.819) 10.310 2.587 ( -4.418 0.156 -1.269) 4.600 2.638 ( -10.651 2.730 -6.803) 12.930 2.686 ( -6.082 2.997 -7.715) 10.271 2.781 ( 4.153 0.334 1.693) 4.497 2.822 ( 1.289 -0.403 1.809) 2.258 2.863 ( -1.519 0.324 1.226) 1.979 2.952 ( -1.327 -0.134 -3.063) 3.341 3.322 ( -0.054 0.010 7.626) 7.626 3.399 ( 0.127 -0.135 0.604) 0.632 4.001 ( -5.466 0.318 0.654) 5.515 4.016 ( -4.514 0.413 -0.524) 4.563 4.176 ( 2.839 0.194 0.236) 2.856 4.182 ( 2.756 -0.588 -0.186) 2.825 4.483 ( 2.202 0.452 2.364) 3.262 4.535 ( 2.129 0.008 0.853) 2.293 4.568 ( 0.925 1.671 -1.119) 2.213 4.615 ( -1.558 0.004 -1.652) 2.271 4.755 ( -5.311 -0.147 1.791) 5.607 4.769 ( -3.793 -1.081 0.432) 3.968 4.801 ( -0.495 -1.137 -0.851) 1.504 4.848 ( 4.029 -0.638 -3.991) 5.707 4.962 ( 0.684 -0.164 2.222) 2.330 5.027 ( 1.273 0.114 -1.793) 2.202 5.384 ( 2.462 -3.935 5.964) 7.558 5.496 ( 1.787 -0.172 -3.535) 3.965 5.526 ( 1.350 -3.786 3.163) 5.115 5.630 ( 0.214 -2.732 -2.969) 4.041 5.681 ( 1.275 -0.223 1.246) 1.797 5.689 ( 0.466 -2.732 -1.667) 3.234 5.922 ( 4.920 0.976 1.850) 5.347 5.978 ( 4.358 1.443 -2.186) 5.084 ======================= Grid point 210 (76/98) ======================= q-point: (-0.31 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( -13.260 2.699 6.414) 14.975 1.017 ( -7.230 6.749 8.255) 12.883 1.187 ( -10.635 3.499 -5.922) 12.666 1.306 ( -6.847 4.095 -6.577) 10.339 1.481 ( -6.857 -4.226 -0.264) 8.059 1.518 ( -5.545 -3.543 -3.677) 7.537 1.677 ( -1.972 -3.244 2.236) 4.406 1.709 ( -2.130 -1.439 0.608) 2.642 1.836 ( -7.913 -1.219 4.101) 8.996 1.880 ( -15.499 9.419 2.710) 18.338 1.941 ( -3.659 0.234 1.071) 3.820 1.956 ( -10.436 1.768 0.886) 10.622 2.070 ( -4.124 -5.376 0.768) 6.819 2.099 ( -10.710 -1.708 6.041) 12.415 2.133 ( -4.452 -3.169 -2.497) 6.008 2.264 ( -9.675 3.724 -0.607) 10.385 2.313 ( -4.357 -0.736 -3.175) 5.441 2.430 ( -8.344 0.398 -4.525) 9.500 2.601 ( -1.475 2.073 -5.718) 6.258 2.612 ( 0.295 1.183 -5.334) 5.472 2.826 ( 0.873 -1.456 1.461) 2.240 2.852 ( -0.562 -0.874 -0.271) 1.074 2.905 ( 5.304 -1.104 1.730) 5.688 2.988 ( 3.604 -5.029 -3.445) 7.082 3.319 ( 0.040 0.991 7.860) 7.922 3.402 ( 0.457 1.025 0.238) 1.147 3.858 ( -11.305 -0.820 1.851) 11.485 3.907 ( -8.287 -1.138 -1.987) 8.597 4.203 ( -0.546 -0.765 -0.052) 0.941 4.209 ( -0.923 -1.818 -0.582) 2.120 4.431 ( -6.397 2.836 1.978) 7.272 4.472 ( -7.496 1.213 -1.289) 7.702 4.548 ( -2.663 1.968 2.027) 3.882 4.585 ( 3.224 2.951 0.443) 4.393 4.692 ( -1.126 0.336 -1.823) 2.169 4.752 ( 1.444 -2.179 -4.447) 5.159 4.866 ( 3.465 -2.873 1.413) 4.718 4.913 ( 2.822 0.570 -1.467) 3.232 5.007 ( 3.796 -0.116 3.283) 5.020 5.114 ( 7.029 0.326 -4.066) 8.127 5.438 ( 1.327 -0.952 4.303) 4.602 5.503 ( -0.844 -0.125 -1.972) 2.148 5.583 ( 1.865 -6.100 3.494) 7.273 5.635 ( -0.146 -1.245 0.640) 1.408 5.690 ( 0.291 -1.073 0.046) 1.113 5.754 ( 3.575 -5.180 -2.876) 6.920 6.008 ( 5.184 2.407 1.690) 5.960 6.049 ( 4.532 2.410 -0.902) 5.211 ======================= Grid point 211 (77/98) ======================= q-point: (-0.23 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( -8.156 9.178 9.664) 15.626 0.851 ( -5.839 11.133 11.010) 16.711 0.984 ( -7.444 7.383 -9.225) 13.965 1.126 ( -9.583 7.827 -8.484) 15.002 1.332 ( -15.239 12.139 8.254) 21.159 1.423 ( -2.954 -3.450 -0.073) 4.542 1.459 ( -9.210 0.496 3.378) 9.823 1.604 ( -10.790 -2.937 -4.265) 11.968 1.697 ( -2.057 -1.570 2.648) 3.703 1.727 ( -7.039 -0.246 2.349) 7.425 1.749 ( -2.515 -1.242 -0.123) 2.808 1.868 ( -6.380 0.411 -3.980) 7.531 1.992 ( -2.994 -7.293 7.223) 10.692 2.070 ( -0.495 -5.426 -1.608) 5.680 2.110 ( 0.752 0.579 -1.815) 2.048 2.195 ( 0.523 -0.520 -2.099) 2.224 2.254 ( -2.726 -1.881 -1.720) 3.732 2.292 ( -6.385 -1.436 -2.765) 7.104 2.563 ( -0.364 3.392 0.457) 3.442 2.636 ( 1.857 0.471 -7.075) 7.330 2.843 ( -0.271 -1.657 -0.618) 1.789 2.858 ( 1.269 -1.436 -1.075) 2.197 3.001 ( 3.504 -2.895 3.433) 5.696 3.086 ( 2.840 -6.755 -3.064) 7.943 3.318 ( 0.866 2.115 7.473) 7.815 3.400 ( -0.196 1.838 -0.448) 1.902 3.585 ( -16.598 -0.344 3.102) 16.889 3.691 ( -15.917 -2.453 -5.491) 17.016 4.167 ( -3.954 -1.993 -0.480) 4.453 4.173 ( -2.329 -0.749 -0.604) 2.520 4.331 ( -2.410 1.408 0.947) 2.947 4.357 ( -3.358 0.762 -1.261) 3.667 4.508 ( -0.898 3.181 4.857) 5.875 4.610 ( 1.372 4.585 -1.793) 5.110 4.675 ( 0.132 4.114 -0.996) 4.235 4.781 ( 0.926 1.163 -7.260) 7.411 4.935 ( 2.288 -3.130 1.160) 4.047 4.969 ( 2.562 -2.595 -0.385) 3.666 5.080 ( 3.165 -0.206 5.322) 6.196 5.228 ( 4.955 1.492 -5.869) 7.825 5.445 ( -0.125 0.420 1.865) 1.916 5.477 ( -1.603 0.050 -1.169) 1.985 5.620 ( 0.057 -1.421 1.684) 2.204 5.660 ( 0.599 -2.466 -0.281) 2.553 5.730 ( 2.460 -6.254 5.602) 8.749 5.857 ( 3.614 -6.109 -2.356) 7.479 6.076 ( 3.660 3.271 2.901) 5.702 6.129 ( 5.301 1.634 -0.465) 5.566 ======================= Grid point 212 (78/98) ======================= q-point: (-0.15 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( 0.000 12.147 12.102) 17.147 0.682 ( 0.000 17.719 10.675) 20.686 0.870 ( 0.000 9.098 -10.275) 13.724 0.949 ( 0.000 9.461 -11.298) 14.736 1.070 ( 0.000 17.065 20.791) 26.897 1.382 ( -0.000 -1.472 5.291) 5.492 1.453 ( -0.000 -5.540 -5.905) 8.097 1.480 ( -0.000 -2.226 -3.132) 3.843 1.640 ( -0.000 -2.410 2.158) 3.235 1.713 ( -0.000 -1.228 1.186) 1.707 1.735 ( -0.000 -0.368 -0.595) 0.700 1.804 ( 0.000 1.044 -7.998) 8.066 2.007 ( -0.000 -8.478 7.813) 11.529 2.100 ( -0.000 -2.199 -2.257) 3.150 2.119 ( 0.000 0.456 -0.948) 1.052 2.228 ( -0.000 -1.722 0.339) 1.755 2.228 ( -0.000 -4.947 -5.441) 7.354 2.238 ( -0.000 -2.969 -0.428) 3.000 2.545 ( 0.000 3.760 3.389) 5.062 2.663 ( -0.000 -0.286 -7.131) 7.137 2.849 ( -0.000 -1.472 -0.202) 1.486 2.887 ( -0.000 -0.462 -3.257) 3.290 3.053 ( -0.000 -3.654 4.275) 5.624 3.152 ( -0.000 -7.421 -3.453) 8.185 3.337 ( 0.000 3.117 9.726) 10.214 3.363 ( 0.000 0.575 0.324) 0.660 3.371 ( 0.000 0.481 -0.321) 0.578 3.488 ( 0.000 4.087 -4.078) 5.773 4.127 ( -0.000 -0.453 0.951) 1.053 4.151 ( -0.000 -0.307 -0.966) 1.013 4.311 ( -0.000 -0.198 0.804) 0.828 4.331 ( -0.000 -0.355 -0.784) 0.860 4.477 ( 0.000 4.418 5.035) 6.698 4.589 ( 0.000 6.597 -4.299) 7.874 4.654 ( 0.000 4.603 1.615) 4.879 4.776 ( 0.000 2.877 -7.405) 7.944 4.978 ( -0.000 -3.977 1.178) 4.148 5.014 ( -0.000 -3.916 -1.173) 4.088 5.112 ( -0.000 -0.553 6.116) 6.141 5.265 ( 0.000 2.252 -5.907) 6.322 5.441 ( 0.000 0.145 0.677) 0.692 5.459 ( 0.000 0.141 -0.677) 0.692 5.625 ( -0.000 -0.581 1.369) 1.487 5.671 ( -0.000 -0.810 -1.901) 2.066 5.802 ( -0.000 -8.455 6.878) 10.899 5.924 ( -0.000 -5.096 -2.381) 5.625 6.103 ( 0.000 1.354 5.354) 5.523 6.194 ( -0.000 -1.038 -1.644) 1.944 ======================= Grid point 217 (79/98) ======================= q-point: ( 0.23 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 0.757 0.000 -2.388) 2.506 1.607 ( 4.331 0.000 -2.701) 5.104 1.625 ( 1.082 0.000 -0.490) 1.188 1.626 ( -0.376 -0.000 -0.382) 0.536 1.759 ( 0.100 0.000 0.674) 0.681 1.772 ( -0.549 -0.000 -0.423) 0.693 1.840 ( -4.041 -0.000 2.595) 4.803 1.862 ( -1.936 -0.000 0.840) 2.111 1.975 ( -0.232 -0.000 2.620) 2.631 2.004 ( 1.344 0.000 -1.004) 1.678 2.149 ( -2.192 -0.000 3.221) 3.896 2.201 ( -1.994 -0.000 -0.386) 2.031 2.208 ( -5.687 -0.000 1.123) 5.797 2.212 ( -6.335 -0.000 -0.378) 6.346 2.439 ( 2.927 0.000 -0.046) 2.928 2.497 ( -1.638 -0.000 -4.917) 5.183 2.564 ( 0.188 0.000 0.049) 0.195 2.596 ( 2.469 0.000 -2.098) 3.240 2.790 ( 3.233 0.000 -3.164) 4.523 2.807 ( 1.168 0.000 -4.576) 4.723 2.896 ( 3.748 0.000 4.213) 5.639 2.993 ( 3.461 0.000 -2.817) 4.462 3.212 ( 5.426 0.000 3.906) 6.686 3.282 ( 7.666 0.000 -0.696) 7.697 3.327 ( 0.064 0.000 5.664) 5.664 3.404 ( -0.983 -0.000 -0.188) 1.001 4.064 ( 0.120 0.000 0.245) 0.272 4.069 ( 0.148 0.000 -0.178) 0.231 4.183 ( 0.888 0.000 0.042) 0.889 4.183 ( 1.104 0.000 -0.007) 1.104 4.377 ( 0.647 0.000 3.323) 3.386 4.469 ( -0.090 -0.000 -4.129) 4.130 4.660 ( -4.760 -0.000 1.826) 5.098 4.666 ( -2.770 -0.000 0.043) 2.771 4.731 ( 2.733 0.000 -0.637) 2.806 4.746 ( 1.885 0.000 -0.520) 1.955 4.854 ( 1.050 0.000 3.049) 3.225 4.934 ( 0.407 0.000 -3.427) 3.451 5.169 ( 5.434 0.000 0.990) 5.523 5.199 ( 4.389 0.000 -1.650) 4.689 5.264 ( -4.719 -0.000 0.567) 4.753 5.293 ( -5.245 -0.000 -1.963) 5.601 5.479 ( -2.083 -0.000 4.100) 4.599 5.483 ( -4.972 -0.000 4.163) 6.485 5.622 ( -1.035 -0.000 0.334) 1.088 5.642 ( -1.609 -0.000 0.604) 1.719 5.737 ( -1.759 -0.000 -2.728) 3.246 5.771 ( -1.393 -0.000 -3.925) 4.164 ======================= Grid point 218 (80/98) ======================= q-point: (-0.69 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( -1.797 0.021 0.256) 1.815 1.600 ( -1.730 -0.673 0.582) 1.945 1.644 ( 1.025 0.210 -1.852) 2.127 1.661 ( 0.020 0.063 -3.983) 3.984 1.689 ( -9.719 2.038 4.124) 10.753 1.765 ( -3.450 0.852 -0.008) 3.554 1.780 ( -2.301 0.379 -1.261) 2.651 1.781 ( 1.639 0.012 -0.486) 1.710 1.940 ( -4.047 -2.244 3.054) 5.545 1.985 ( -4.012 -1.374 -0.599) 4.283 2.119 ( -1.751 1.627 2.505) 3.463 2.138 ( -2.573 -1.892 1.904) 3.718 2.142 ( -4.152 -0.749 0.595) 4.261 2.181 ( 4.724 0.573 -1.881) 5.117 2.467 ( -1.570 -1.029 -3.288) 3.786 2.506 ( 2.879 -0.463 -5.639) 6.349 2.584 ( 1.677 -1.036 1.675) 2.587 2.637 ( 1.791 -0.429 -1.942) 2.677 2.827 ( 1.092 0.372 -2.144) 2.434 2.839 ( 1.551 0.106 -2.911) 3.300 2.948 ( 2.319 1.723 3.983) 4.920 3.035 ( 1.507 2.128 -2.107) 3.353 3.268 ( 0.453 -0.443 5.418) 5.455 3.324 ( 0.102 -0.068 5.814) 5.815 3.362 ( 0.435 3.477 -1.128) 3.682 3.400 ( -0.266 -3.248 -2.099) 3.876 4.068 ( 0.426 0.134 0.189) 0.485 4.072 ( 0.182 0.104 -0.116) 0.239 4.181 ( -1.000 0.410 0.088) 1.085 4.182 ( -0.716 0.197 0.043) 0.743 4.397 ( 1.093 -0.977 2.766) 3.131 4.457 ( -1.591 -0.161 -1.764) 2.381 4.555 ( -4.883 0.423 0.930) 4.989 4.601 ( -4.355 -0.848 -2.608) 5.147 4.744 ( -1.802 0.125 0.511) 1.877 4.753 ( -0.353 -0.078 -0.857) 0.930 4.913 ( 4.421 0.264 2.674) 5.174 4.964 ( 2.741 0.256 -1.789) 3.283 5.163 ( -6.026 -0.040 0.756) 6.073 5.192 ( -5.353 -0.086 -1.791) 5.645 5.257 ( 3.278 -0.057 0.444) 3.308 5.281 ( 4.343 -0.070 -1.779) 4.694 5.411 ( -2.221 -0.325 5.701) 6.127 5.479 ( 1.810 -0.046 1.986) 2.688 5.617 ( 0.448 0.053 0.374) 0.586 5.628 ( 0.029 -0.183 -0.917) 0.936 5.722 ( 0.364 -0.093 -0.913) 0.987 5.770 ( 1.477 0.036 -3.793) 4.070 ======================= Grid point 219 (81/98) ======================= q-point: (-0.62 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( -9.247 -0.836 3.177) 9.814 1.523 ( -5.287 0.638 2.320) 5.809 1.588 ( -5.890 -1.209 -1.352) 6.163 1.612 ( -1.899 -2.092 2.044) 3.487 1.627 ( -2.564 0.504 -3.838) 4.643 1.696 ( -0.051 -0.760 -2.981) 3.076 1.801 ( 1.480 0.151 1.271) 1.957 1.822 ( 1.489 -0.719 -1.193) 2.039 1.843 ( -6.431 -1.474 1.094) 6.688 1.883 ( -6.979 -1.711 -0.724) 7.222 2.043 ( -6.041 -1.311 0.694) 6.221 2.068 ( -3.545 -0.895 -0.261) 3.666 2.169 ( 4.261 1.089 5.354) 6.929 2.298 ( 7.205 2.978 -4.596) 9.050 2.456 ( -0.322 -2.649 -0.511) 2.717 2.541 ( 1.183 0.511 -7.066) 7.183 2.629 ( 1.640 -1.488 0.550) 2.281 2.673 ( 1.908 -1.015 -0.891) 2.337 2.829 ( -1.540 0.683 -1.520) 2.269 2.838 ( -1.481 -0.160 -1.985) 2.482 2.952 ( -0.858 2.864 3.031) 4.257 3.023 ( -1.389 2.812 -1.664) 3.551 3.225 ( -6.027 0.932 5.218) 8.026 3.281 ( -5.985 1.985 1.731) 6.539 3.338 ( -0.696 1.220 2.628) 2.979 3.381 ( -1.692 -1.170 -1.651) 2.638 4.080 ( 0.909 -0.010 0.105) 0.915 4.082 ( 1.353 0.148 -0.092) 1.365 4.152 ( -1.697 0.690 0.523) 1.905 4.160 ( -1.515 0.711 -0.121) 1.678 4.400 ( -1.486 0.854 3.033) 3.484 4.439 ( 0.742 -3.133 2.096) 3.842 4.503 ( -1.179 0.150 -2.976) 3.205 4.544 ( -1.551 -2.380 -4.285) 5.141 4.713 ( -0.733 0.203 1.774) 1.930 4.745 ( -0.390 -0.262 -1.177) 1.267 4.963 ( 0.544 1.170 2.178) 2.531 4.988 ( -0.725 1.002 -0.321) 1.278 5.056 ( -5.142 -0.233 1.548) 5.374 5.104 ( -3.958 -0.540 -2.579) 4.755 5.280 ( -0.444 -1.076 3.953) 4.121 5.360 ( 4.064 -0.327 -3.235) 5.205 5.420 ( 2.195 -0.752 4.206) 4.804 5.527 ( 2.652 -0.710 -1.393) 3.079 5.632 ( 1.065 0.128 -0.017) 1.072 5.641 ( 1.008 -0.772 -0.805) 1.503 5.759 ( 3.406 -0.166 1.350) 3.667 5.823 ( 3.985 0.011 -3.477) 5.289 ======================= Grid point 220 (82/98) ======================= q-point: (-0.54 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -7.974 -1.766 1.306) 8.270 1.383 ( -8.728 0.698 0.600) 8.776 1.482 ( -5.532 -3.375 0.204) 6.484 1.564 ( -3.780 0.979 -3.460) 5.218 1.629 ( -6.055 -1.752 2.524) 6.790 1.644 ( -0.046 -3.264 2.500) 4.112 1.733 ( -7.547 -3.064 -0.227) 8.148 1.765 ( -3.362 0.463 -0.870) 3.503 1.846 ( 1.225 -1.567 0.712) 2.112 1.847 ( 0.143 -0.830 1.708) 1.904 1.947 ( -4.169 -2.087 -0.394) 4.679 2.032 ( -0.428 -2.355 -4.225) 4.855 2.245 ( 4.188 2.885 4.421) 6.739 2.373 ( 2.025 2.056 -3.392) 4.454 2.484 ( 0.289 -2.164 -0.461) 2.232 2.550 ( 0.125 0.734 -6.739) 6.780 2.623 ( -3.494 1.036 0.476) 3.676 2.690 ( -3.629 0.332 -2.891) 4.652 2.764 ( -2.257 -0.173 1.328) 2.625 2.798 ( -1.726 -0.253 -1.519) 2.313 2.890 ( -4.172 2.242 1.276) 4.905 2.944 ( -6.965 2.645 -2.009) 7.716 3.030 ( -12.631 3.085 3.024) 13.349 3.084 ( -11.122 3.813 -1.025) 11.802 3.323 ( -0.311 0.064 5.716) 5.724 3.383 ( 0.573 -0.695 0.406) 0.988 4.095 ( -2.141 0.683 0.253) 2.262 4.102 ( -2.573 1.001 -0.151) 2.765 4.121 ( 1.981 0.048 0.319) 2.007 4.128 ( 1.279 0.390 -0.115) 1.342 4.414 ( 3.868 0.498 3.663) 5.351 4.478 ( 0.922 -3.907 2.772) 4.879 4.514 ( 2.835 0.240 -4.263) 5.125 4.568 ( 1.751 -3.034 -3.866) 5.217 4.730 ( 2.870 -0.214 0.600) 2.940 4.747 ( 0.526 -0.667 -0.751) 1.134 4.913 ( -5.069 1.783 1.271) 5.522 4.925 ( -5.001 1.091 0.404) 5.134 4.983 ( -3.026 -0.151 2.293) 3.800 5.046 ( -2.695 -0.387 -2.776) 3.888 5.288 ( 0.676 -2.966 6.922) 7.561 5.433 ( 3.568 -0.653 -4.680) 5.921 5.467 ( 1.968 -0.947 2.653) 3.436 5.571 ( 1.238 -1.837 -4.357) 4.888 5.654 ( 1.248 -0.025 1.223) 1.747 5.664 ( 0.761 -0.776 0.038) 1.088 5.837 ( 4.698 -0.057 2.106) 5.149 5.905 ( 4.718 0.270 -3.078) 5.639 ======================= Grid point 221 (83/98) ======================= q-point: (-0.46 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( -9.833 0.664 2.125) 10.082 1.225 ( -6.847 2.917 2.337) 7.801 1.383 ( -7.078 -0.262 -2.092) 7.386 1.467 ( -5.835 1.857 -4.278) 7.470 1.526 ( -5.176 -4.239 1.895) 6.954 1.582 ( -8.481 -3.419 -2.056) 9.373 1.658 ( -2.874 -3.478 2.703) 5.260 1.715 ( -2.598 -0.832 -1.829) 3.284 1.851 ( 1.735 -3.591 7.816) 8.775 1.894 ( 1.664 -2.921 0.344) 3.379 1.928 ( -0.483 -2.121 0.744) 2.298 2.060 ( 1.365 -1.022 -3.619) 4.000 2.245 ( -5.258 1.681 1.271) 5.665 2.324 ( -12.895 -0.156 -1.435) 12.976 2.366 ( -7.970 0.750 1.148) 8.087 2.443 ( -11.992 0.868 -4.644) 12.889 2.554 ( -3.981 2.867 1.133) 5.035 2.592 ( -4.741 0.772 -0.611) 4.842 2.686 ( -12.819 6.336 -4.528) 14.999 2.723 ( -7.687 3.970 -6.356) 10.735 2.789 ( 2.888 1.013 1.785) 3.543 2.819 ( 1.273 -0.214 1.897) 2.294 2.862 ( -2.499 -0.563 0.672) 2.649 2.941 ( -4.958 -1.955 -3.032) 6.132 3.323 ( 0.227 0.003 7.342) 7.346 3.397 ( 0.583 -0.303 0.527) 0.843 4.007 ( -5.965 0.735 0.833) 6.068 4.025 ( -4.784 1.252 -0.594) 4.981 4.169 ( 1.957 -1.439 0.237) 2.441 4.176 ( 2.234 -0.572 -0.252) 2.320 4.481 ( 1.521 -0.553 2.536) 3.009 4.536 ( 4.314 0.085 1.129) 4.461 4.581 ( 3.065 0.650 -2.396) 3.944 4.612 ( 1.564 -0.551 -1.244) 2.073 4.753 ( -4.214 -0.606 0.991) 4.371 4.762 ( -7.675 0.257 1.587) 7.841 4.794 ( -2.531 -0.156 -0.538) 2.592 4.840 ( 4.911 -0.737 -4.001) 6.377 4.960 ( 0.609 -0.256 2.560) 2.644 5.027 ( 1.121 -0.068 -1.710) 2.046 5.341 ( 2.878 -3.963 7.619) 9.058 5.492 ( 1.755 -0.433 -3.595) 4.024 5.501 ( 1.509 -1.267 1.496) 2.474 5.598 ( 0.638 -2.921 -5.385) 6.159 5.670 ( -0.071 -1.082 0.792) 1.343 5.679 ( 0.882 -0.207 0.714) 1.153 5.929 ( 5.288 0.399 2.239) 5.757 5.990 ( 4.809 0.964 -2.402) 5.461 ======================= Grid point 222 (84/98) ======================= q-point: (-0.38 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( -9.561 4.919 5.106) 11.903 1.092 ( -4.780 7.075 2.943) 9.031 1.228 ( -7.823 4.467 -2.719) 9.409 1.343 ( -5.860 2.763 -4.190) 7.715 1.441 ( -6.858 -3.080 0.171) 7.520 1.474 ( -4.543 -4.547 -3.035) 7.108 1.639 ( -1.456 -4.090 1.639) 4.640 1.681 ( -2.530 -3.448 -1.630) 4.577 1.833 ( -9.054 1.372 4.498) 10.203 1.917 ( -6.609 -1.750 -2.205) 7.184 1.940 ( -2.378 -4.624 6.448) 8.283 1.976 ( -11.297 2.883 1.146) 11.715 2.021 ( -8.499 -2.598 0.916) 8.935 2.105 ( -6.466 -0.956 -2.643) 7.050 2.118 ( -12.976 4.510 5.338) 14.739 2.292 ( -8.003 -3.007 -7.333) 11.264 2.310 ( -9.343 5.424 5.144) 11.965 2.458 ( -6.886 4.601 -2.250) 8.582 2.612 ( 0.365 0.463 -7.988) 8.010 2.633 ( -1.708 2.267 -5.923) 6.568 2.803 ( -0.227 -2.692 2.743) 3.850 2.835 ( -2.108 -2.586 -1.360) 3.603 2.900 ( 3.612 -0.611 0.035) 3.664 2.938 ( 3.874 -3.517 -2.470) 5.786 3.329 ( 0.615 0.762 7.783) 7.845 3.409 ( 0.839 0.426 0.241) 0.971 3.850 ( -11.770 -0.590 1.984) 11.951 3.898 ( -9.615 -0.650 -1.711) 9.787 4.187 ( -1.336 -2.104 0.056) 2.493 4.194 ( -0.888 -0.986 -0.494) 1.416 4.459 ( -5.769 2.370 1.244) 6.360 4.484 ( -7.913 0.948 -0.818) 8.011 4.565 ( -3.613 1.183 3.209) 4.975 4.614 ( 3.537 2.384 0.872) 4.354 4.701 ( 1.995 1.228 -2.664) 3.547 4.724 ( 1.736 -2.957 -3.208) 4.696 4.841 ( 3.635 -1.689 2.558) 4.755 4.928 ( 3.425 2.058 -2.925) 4.952 5.003 ( 3.532 -0.551 3.254) 4.834 5.109 ( 6.812 -1.244 -3.869) 7.933 5.421 ( 3.177 -2.239 6.070) 7.208 5.499 ( -0.830 -0.611 -0.934) 1.391 5.533 ( 0.850 -2.840 1.500) 3.322 5.623 ( 0.388 -1.378 -1.564) 2.121 5.675 ( -0.016 -1.978 -0.810) 2.137 5.712 ( 2.558 -2.504 -1.867) 4.038 6.027 ( 5.717 1.392 1.991) 6.212 6.072 ( 4.793 1.985 -1.217) 5.329 ======================= Grid point 223 (85/98) ======================= q-point: (-0.31 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( -5.200 9.475 7.701) 13.271 0.977 ( -1.977 12.088 3.379) 12.706 1.066 ( -5.651 8.381 -4.255) 10.967 1.207 ( -6.967 7.078 -5.750) 11.476 1.359 ( -3.929 -2.949 1.073) 5.028 1.409 ( -3.983 -1.301 -2.528) 4.894 1.495 ( -14.281 2.591 3.386) 14.904 1.587 ( -12.256 -0.593 -3.339) 12.716 1.679 ( -1.013 -3.038 3.158) 4.498 1.725 ( -2.706 -2.253 1.316) 3.760 1.746 ( -10.551 6.074 5.614) 13.406 1.851 ( -8.714 -3.777 4.027) 10.316 1.946 ( -1.958 -0.805 2.035) 2.937 1.996 ( -3.374 -7.870 -2.614) 8.953 2.105 ( 2.531 -1.368 0.500) 2.920 2.191 ( -1.010 -1.124 -1.721) 2.290 2.229 ( -3.185 -1.999 -0.229) 3.767 2.313 ( -5.795 5.022 -4.518) 8.901 2.594 ( -0.298 2.354 -2.835) 3.697 2.639 ( 1.457 0.114 -6.812) 6.967 2.809 ( -1.361 -5.312 -1.027) 5.579 2.831 ( 0.497 -3.251 -1.097) 3.467 2.975 ( 3.113 -2.414 2.326) 4.575 3.030 ( 3.254 -3.045 -1.820) 4.814 3.338 ( 1.161 1.617 7.216) 7.486 3.415 ( -0.429 1.009 -0.451) 1.186 3.582 ( -15.557 -0.222 3.103) 15.865 3.667 ( -14.553 -2.049 -3.327) 15.068 4.151 ( -2.782 -1.128 0.379) 3.026 4.167 ( -1.783 -0.284 -0.824) 1.984 4.340 ( -3.995 0.364 0.751) 4.081 4.360 ( -4.322 -0.056 -0.901) 4.415 4.546 ( 0.704 3.752 5.524) 6.715 4.650 ( 1.830 3.021 0.058) 3.533 4.718 ( 1.168 3.938 -3.272) 5.251 4.776 ( 1.732 -2.016 -5.591) 6.190 4.909 ( 2.435 -1.603 1.652) 3.351 4.964 ( 1.951 1.660 -0.872) 2.706 5.076 ( 3.122 -0.676 5.146) 6.057 5.235 ( 5.223 -0.330 -6.867) 8.634 5.451 ( -0.043 0.621 1.639) 1.754 5.476 ( -1.505 -0.206 -0.915) 1.773 5.583 ( 1.340 -5.488 4.695) 7.346 5.636 ( 0.714 -1.292 1.649) 2.213 5.690 ( 0.577 -2.243 0.699) 2.420 5.794 ( 3.237 -5.488 -3.379) 7.213 6.110 ( 3.796 2.858 1.935) 5.131 6.147 ( 4.366 1.812 -0.219) 4.732 ======================= Grid point 224 (86/98) ======================= q-point: (-0.23 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( 0.000 11.075 10.165) 15.033 0.875 ( 0.000 18.493 6.929) 19.748 0.965 ( 0.000 8.401 -11.007) 13.846 1.058 ( 0.000 10.712 -7.939) 13.333 1.250 ( 0.000 14.581 11.213) 18.394 1.364 ( -0.000 -1.856 4.212) 4.603 1.405 ( -0.000 -2.558 -1.070) 2.773 1.453 ( -0.000 -2.781 -3.366) 4.366 1.616 ( -0.000 -1.126 4.605) 4.741 1.696 ( -0.000 -1.914 1.758) 2.599 1.726 ( -0.000 -1.379 -0.752) 1.571 1.791 ( -0.000 -4.237 -0.102) 4.238 1.930 ( -0.000 -4.642 1.964) 5.040 2.021 ( -0.000 -10.041 -3.269) 10.560 2.152 ( 0.000 1.647 0.443) 1.706 2.202 ( -0.000 -3.367 0.212) 3.374 2.209 ( -0.000 -2.117 -0.291) 2.137 2.213 ( 0.000 3.616 -6.062) 7.059 2.581 ( 0.000 2.884 0.833) 3.002 2.659 ( -0.000 -0.428 -7.250) 7.262 2.823 ( -0.000 -4.147 -0.533) 4.181 2.863 ( -0.000 -3.797 -2.159) 4.368 3.022 ( -0.000 -2.746 2.714) 3.861 3.082 ( -0.000 -4.644 -1.685) 4.940 3.370 ( 0.000 0.663 0.276) 0.718 3.371 ( 0.000 2.972 9.465) 9.921 3.377 ( 0.000 0.564 -0.287) 0.633 3.516 ( 0.000 1.600 -3.159) 3.541 4.123 ( -0.000 -0.236 1.027) 1.054 4.149 ( -0.000 -0.075 -1.020) 1.023 4.307 ( -0.000 -0.532 0.724) 0.898 4.325 ( -0.000 -0.727 -0.714) 1.019 4.529 ( 0.000 5.136 5.571) 7.577 4.648 ( 0.000 4.376 -1.474) 4.618 4.705 ( 0.000 4.863 -1.823) 5.194 4.797 ( 0.000 0.315 -7.137) 7.144 4.943 ( -0.000 -2.339 1.239) 2.647 4.983 ( -0.000 -1.229 -0.417) 1.298 5.108 ( -0.000 -0.356 5.884) 5.894 5.284 ( 0.000 1.055 -7.648) 7.720 5.443 ( 0.000 0.176 0.675) 0.697 5.460 ( 0.000 0.169 -0.675) 0.696 5.612 ( -0.000 -2.321 2.485) 3.400 5.656 ( -0.000 -2.074 0.610) 2.162 5.722 ( -0.000 -5.772 5.383) 7.893 5.861 ( -0.000 -6.392 -2.774) 6.968 6.129 ( 0.000 3.170 3.153) 4.471 6.191 ( 0.000 0.397 -0.860) 0.947 ======================= Grid point 231 (87/98) ======================= q-point: (-0.69 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( -10.092 -0.000 3.599) 10.715 1.526 ( -4.612 -0.000 2.718) 5.353 1.584 ( -9.226 -0.000 -2.998) 9.701 1.598 ( 0.072 0.000 3.514) 3.515 1.631 ( -2.697 -0.000 -3.980) 4.808 1.691 ( -0.087 -0.000 -3.128) 3.130 1.802 ( 1.793 0.000 1.013) 2.060 1.816 ( 0.340 0.000 -0.886) 0.949 1.836 ( -5.955 -0.000 0.654) 5.991 1.874 ( -6.080 -0.000 -0.596) 6.110 2.036 ( -6.099 -0.000 0.663) 6.135 2.062 ( -3.972 -0.000 -0.749) 4.042 2.176 ( 5.010 0.000 6.446) 8.164 2.315 ( 7.512 0.000 -5.289) 9.187 2.441 ( -0.509 -0.000 -0.582) 0.773 2.543 ( 1.271 0.000 -8.388) 8.484 2.620 ( 2.206 0.000 1.678) 2.771 2.668 ( 1.722 0.000 -0.570) 1.814 2.834 ( -0.836 -0.000 -1.540) 1.752 2.835 ( -2.132 -0.000 -2.336) 3.162 2.968 ( -1.208 -0.000 3.358) 3.568 3.038 ( -1.924 -0.000 -1.281) 2.312 3.229 ( -5.288 -0.000 5.576) 7.685 3.292 ( -5.577 -0.000 2.405) 6.073 3.349 ( -2.204 -0.000 1.539) 2.688 3.371 ( -0.432 -0.000 -1.890) 1.938 4.080 ( 0.806 0.000 0.129) 0.816 4.083 ( 1.291 0.000 -0.139) 1.298 4.156 ( -1.598 -0.000 0.532) 1.685 4.164 ( -1.308 -0.000 -0.119) 1.314 4.411 ( -2.152 -0.000 2.958) 3.658 4.416 ( 1.106 0.000 2.486) 2.721 4.504 ( -0.758 -0.000 -2.869) 2.967 4.531 ( -2.125 -0.000 -4.843) 5.289 4.714 ( -0.748 -0.000 1.747) 1.900 4.743 ( -0.470 -0.000 -0.987) 1.093 4.970 ( 0.684 0.000 2.224) 2.326 4.994 ( -0.605 -0.000 -0.279) 0.666 5.055 ( -5.145 -0.000 1.464) 5.349 5.101 ( -4.051 -0.000 -2.521) 4.771 5.274 ( -0.818 -0.000 4.156) 4.236 5.358 ( 3.990 0.000 -3.364) 5.219 5.417 ( 2.265 0.000 4.065) 4.653 5.523 ( 2.481 0.000 -1.653) 2.981 5.635 ( 0.748 0.000 -1.115) 1.342 5.635 ( 1.298 0.000 0.438) 1.370 5.758 ( 3.426 0.000 1.440) 3.717 5.823 ( 4.001 0.000 -3.473) 5.298 ======================= Grid point 233 (88/98) ======================= q-point: (-0.62 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( -6.971 -0.670 1.185) 7.103 1.387 ( -9.320 -0.042 -1.524) 9.444 1.460 ( -4.547 -0.812 3.328) 5.692 1.572 ( -3.507 0.387 -3.598) 5.040 1.617 ( -4.479 -0.549 2.515) 5.166 1.620 ( -1.992 -1.255 2.755) 3.624 1.709 ( -7.764 -1.212 0.066) 7.859 1.765 ( -3.566 -0.186 -1.375) 3.826 1.832 ( -2.771 -0.725 1.226) 3.116 1.844 ( 2.458 -0.085 2.178) 3.285 1.937 ( -3.256 -0.264 -2.133) 3.902 2.011 ( -0.723 -1.289 -4.744) 4.969 2.274 ( 4.821 1.935 5.781) 7.772 2.382 ( -0.284 -0.129 -2.450) 2.470 2.471 ( 1.715 -0.380 -2.324) 2.913 2.555 ( -0.076 0.234 -8.918) 8.921 2.632 ( -2.641 0.503 1.315) 2.993 2.689 ( -2.051 -0.218 -1.107) 2.341 2.763 ( -3.038 -0.015 0.354) 3.059 2.797 ( -1.991 -0.050 -1.566) 2.534 2.906 ( -4.581 0.717 1.840) 4.989 2.963 ( -5.956 0.965 -1.722) 6.274 3.053 ( -12.640 1.173 3.506) 13.170 3.112 ( -12.234 1.391 -1.136) 12.365 3.323 ( -0.561 0.036 5.214) 5.244 3.378 ( 0.676 -0.229 0.389) 0.813 4.100 ( -0.354 0.217 0.314) 0.520 4.111 ( -0.551 0.631 -0.472) 0.961 4.120 ( -0.426 -0.116 0.623) 0.764 4.132 ( -0.477 0.253 -0.202) 0.577 4.422 ( 3.827 0.927 3.839) 5.500 4.443 ( 1.629 -2.356 2.815) 4.015 4.515 ( 2.048 -0.100 -4.163) 4.640 4.544 ( 2.723 -1.179 -4.550) 5.432 4.730 ( 2.779 0.082 0.577) 2.839 4.741 ( 0.268 -0.362 -0.350) 0.570 4.927 ( -5.393 0.910 1.102) 5.579 4.932 ( -5.053 0.156 1.069) 5.167 4.982 ( -3.088 -0.019 2.074) 3.720 5.043 ( -2.416 -0.196 -2.837) 3.731 5.267 ( 0.342 -1.063 7.386) 7.470 5.428 ( 3.501 -0.306 -5.314) 6.371 5.461 ( 2.072 -0.250 2.482) 3.243 5.558 ( 1.021 -0.612 -4.537) 4.690 5.655 ( 1.208 0.137 0.904) 1.515 5.658 ( 0.886 -0.402 0.582) 1.133 5.836 ( 4.774 -0.041 2.288) 5.295 5.907 ( 4.859 0.085 -3.117) 5.774 ======================= Grid point 234 (89/98) ======================= q-point: (-0.54 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( -7.504 2.433 0.436) 7.901 1.242 ( -5.388 0.172 -1.563) 5.613 1.384 ( -4.302 0.584 2.368) 4.945 1.481 ( -5.888 0.661 -2.856) 6.577 1.493 ( -5.917 -1.718 0.981) 6.240 1.551 ( -7.333 -2.362 -2.608) 8.134 1.635 ( -4.911 -0.460 4.117) 6.425 1.698 ( -2.503 -2.600 -0.520) 3.646 1.781 ( -1.149 -6.286 7.629) 9.951 1.891 ( 2.406 0.462 4.090) 4.767 1.929 ( 0.968 1.221 -4.369) 4.639 2.042 ( 1.981 -2.048 -4.941) 5.703 2.268 ( -6.723 2.506 1.039) 7.250 2.322 ( -13.173 -0.626 -1.930) 13.328 2.362 ( -8.392 -0.964 1.552) 8.589 2.449 ( -11.887 0.467 -4.747) 12.809 2.574 ( -0.702 1.162 -0.823) 1.588 2.600 ( -3.800 0.529 -0.183) 3.841 2.755 ( -8.953 4.955 -1.966) 10.420 2.773 ( -11.008 6.351 -3.622) 13.215 2.799 ( 0.542 0.508 1.383) 1.570 2.818 ( 0.913 0.423 0.976) 1.402 2.851 ( -2.514 -1.453 -0.463) 2.940 2.909 ( -8.639 -4.161 -2.855) 10.005 3.323 ( 0.390 -0.006 7.123) 7.134 3.393 ( 0.825 -0.269 0.536) 1.020 4.015 ( -6.495 0.734 1.116) 6.631 4.041 ( -5.181 1.520 -0.884) 5.471 4.152 ( 1.335 -1.671 0.635) 2.231 4.169 ( 1.787 -0.761 -0.660) 2.051 4.475 ( 2.200 -0.520 2.607) 3.450 4.536 ( 5.022 0.000 0.533) 5.050 4.583 ( 5.121 -0.047 -2.552) 5.722 4.606 ( 2.879 -0.533 -0.730) 3.017 4.746 ( -2.402 -0.578 1.042) 2.681 4.767 ( -10.916 0.349 1.161) 10.983 4.797 ( -4.232 0.673 0.162) 4.289 4.833 ( 6.162 -0.633 -3.750) 7.241 4.957 ( 0.496 -0.179 2.828) 2.876 5.026 ( 0.763 -0.107 -1.606) 1.781 5.307 ( 3.122 -2.192 8.104) 8.957 5.488 ( 1.789 -0.227 -2.752) 3.290 5.492 ( 1.904 -0.524 -0.663) 2.083 5.574 ( 0.438 -1.570 -5.687) 5.916 5.662 ( -0.392 -0.434 1.282) 1.409 5.677 ( 0.909 -0.133 0.615) 1.105 5.931 ( 5.512 0.127 2.583) 6.088 5.998 ( 5.121 0.490 -2.565) 5.748 ======================= Grid point 235 (90/98) ======================= q-point: (-0.46 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( -7.285 5.103 3.466) 9.546 1.156 ( -3.186 4.593 -4.044) 6.899 1.283 ( -4.353 5.832 1.516) 7.433 1.363 ( -5.816 0.891 -1.934) 6.193 1.419 ( -5.648 -1.181 0.053) 5.771 1.428 ( -4.699 -3.611 -0.829) 5.984 1.588 ( -1.391 -5.453 1.940) 5.953 1.651 ( -2.943 -1.827 -3.171) 4.696 1.845 ( -0.363 -8.903 6.281) 10.901 1.861 ( -12.683 3.586 2.031) 13.335 1.914 ( -5.238 -1.294 2.469) 5.934 1.979 ( -11.300 -1.623 -0.992) 11.459 2.013 ( -10.852 0.500 1.243) 10.934 2.091 ( -0.723 -1.414 -2.026) 2.574 2.176 ( -14.126 4.387 2.145) 14.946 2.255 ( -8.951 -3.297 -4.629) 10.602 2.392 ( -11.794 9.621 5.196) 16.084 2.510 ( -5.791 4.357 1.294) 7.361 2.615 ( -0.906 0.147 -8.049) 8.101 2.657 ( -1.947 2.201 -7.743) 8.282 2.771 ( -2.422 -3.646 0.410) 4.396 2.792 ( -4.509 -5.164 -3.369) 7.639 2.885 ( 3.237 -1.391 1.296) 3.754 2.926 ( 5.639 0.227 -1.701) 5.894 3.335 ( 0.977 0.412 7.543) 7.618 3.411 ( 1.002 0.005 0.306) 1.048 3.846 ( -12.252 -0.312 2.183) 12.448 3.893 ( -11.012 -0.231 -1.541) 11.122 4.166 ( -0.915 -1.715 0.615) 2.039 4.185 ( -0.559 -0.818 -0.843) 1.301 4.480 ( -6.159 1.497 0.526) 6.360 4.491 ( -8.234 0.535 -0.476) 8.265 4.574 ( -3.258 0.493 3.847) 5.066 4.635 ( 2.994 1.562 1.043) 3.534 4.694 ( 1.932 -2.564 -2.189) 3.886 4.716 ( 3.983 1.303 -3.649) 5.557 4.830 ( 4.188 -0.427 3.701) 5.605 4.953 ( 4.973 2.567 -3.490) 6.595 4.997 ( 3.262 -0.552 2.586) 4.199 5.088 ( 5.651 -2.571 -2.610) 6.735 5.395 ( 4.572 -2.233 7.104) 8.738 5.493 ( -0.734 -0.279 0.391) 0.877 5.518 ( -0.196 -0.607 -1.056) 1.234 5.605 ( 1.609 -1.860 -5.438) 5.968 5.655 ( -0.419 -1.441 0.834) 1.717 5.697 ( 1.423 -0.663 -1.102) 1.918 6.038 ( 6.116 0.725 2.442) 6.625 6.090 ( 5.161 1.335 -1.542) 5.550 ======================= Grid point 236 (91/98) ======================= q-point: (-0.38 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( -4.047 7.934 5.896) 10.682 1.078 ( -1.574 6.381 -7.724) 10.141 1.174 ( -2.472 12.167 4.134) 13.085 1.267 ( -3.983 3.931 -1.888) 5.906 1.329 ( -3.457 -2.196 0.706) 4.156 1.390 ( -2.654 -1.857 -4.181) 5.288 1.497 ( -14.402 -0.636 1.906) 14.542 1.569 ( -10.680 -2.487 -3.929) 11.648 1.637 ( -3.250 -4.032 1.978) 5.544 1.673 ( -2.801 -6.424 -0.952) 7.073 1.806 ( -9.565 -4.453 5.790) 12.035 1.870 ( -9.019 11.349 8.057) 16.585 1.916 ( -8.392 -4.490 -2.581) 9.861 1.957 ( -0.353 1.730 2.775) 3.289 2.091 ( 2.307 -0.954 1.231) 2.784 2.167 ( -1.240 -2.883 -1.601) 3.523 2.225 ( -4.127 1.365 3.873) 5.822 2.378 ( -4.942 6.334 -4.734) 9.325 2.605 ( -0.574 -1.006 -7.845) 7.930 2.641 ( 0.655 0.722 -4.509) 4.613 2.733 ( -3.080 -7.998 -1.636) 8.726 2.795 ( 0.329 -3.346 -3.663) 4.972 2.955 ( 3.091 -1.179 3.309) 4.679 3.018 ( 4.053 -0.030 -1.900) 4.476 3.352 ( 1.269 1.027 6.919) 7.109 3.422 ( -0.565 0.217 -0.258) 0.658 3.580 ( -14.675 -0.156 3.129) 15.005 3.649 ( -13.630 -1.455 -1.793) 13.824 4.143 ( -1.810 -0.492 0.814) 2.045 4.166 ( -1.311 -0.011 -0.992) 1.644 4.341 ( -5.046 -0.130 0.632) 5.087 4.357 ( -5.103 -0.435 -0.674) 5.166 4.582 ( 1.679 2.822 5.343) 6.272 4.672 ( 1.640 1.137 1.388) 2.431 4.747 ( 1.823 -2.908 -3.956) 5.237 4.757 ( 1.788 3.290 -4.922) 6.185 4.904 ( 3.036 0.514 3.389) 4.579 4.996 ( 2.183 4.060 -1.145) 4.750 5.066 ( 3.113 -1.072 4.322) 5.433 5.218 ( 5.225 -3.036 -6.882) 9.159 5.459 ( 0.329 0.811 1.536) 1.768 5.471 ( -1.240 -0.709 0.269) 1.454 5.529 ( 1.135 -4.147 4.452) 6.189 5.628 ( 0.525 -0.435 0.659) 0.948 5.668 ( 0.335 -2.157 -0.976) 2.391 5.747 ( 2.506 -3.218 -3.846) 5.606 6.134 ( 4.359 1.797 1.924) 5.092 6.167 ( 3.895 1.911 -0.284) 4.348 ======================= Grid point 237 (92/98) ======================= q-point: (-0.31 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( 0.000 9.386 8.014) 12.341 1.040 ( 0.000 5.708 -10.305) 11.780 1.063 ( 0.000 16.809 4.000) 17.278 1.166 ( 0.000 9.313 -4.292) 10.254 1.312 ( -0.000 -1.276 2.577) 2.876 1.346 ( -0.000 -1.258 3.233) 3.469 1.407 ( -0.000 -0.251 -4.463) 4.470 1.427 ( -0.000 -1.836 -3.475) 3.930 1.645 ( 0.000 4.139 9.703) 10.549 1.671 ( -0.000 -2.837 1.632) 3.273 1.701 ( -0.000 -3.572 -0.834) 3.668 1.746 ( 0.000 1.137 7.431) 7.517 1.871 ( -0.000 -9.758 -1.580) 9.886 1.951 ( -0.000 -0.611 -0.931) 1.114 2.149 ( -0.000 -1.032 4.398) 4.517 2.169 ( -0.000 -2.819 0.753) 2.918 2.187 ( -0.000 -1.940 -0.711) 2.066 2.284 ( 0.000 7.942 -7.838) 11.158 2.602 ( 0.000 0.871 -4.345) 4.432 2.653 ( -0.000 -0.730 -5.734) 5.781 2.752 ( -0.000 -8.928 -1.153) 9.002 2.820 ( -0.000 -3.898 -3.077) 4.966 2.995 ( -0.000 -1.758 3.643) 4.045 3.062 ( -0.000 -0.158 -1.680) 1.687 3.376 ( 0.000 0.590 0.232) 0.634 3.383 ( 0.000 0.512 -0.256) 0.573 3.396 ( 0.000 1.788 9.341) 9.510 3.525 ( 0.000 0.195 -1.807) 1.817 4.122 ( 0.000 0.128 1.097) 1.104 4.150 ( 0.000 0.266 -1.076) 1.108 4.300 ( -0.000 -0.835 0.641) 1.053 4.316 ( -0.000 -1.019 -0.636) 1.201 4.579 ( 0.000 4.215 5.601) 7.010 4.680 ( 0.000 1.808 0.936) 2.036 4.753 ( 0.000 4.101 -4.081) 5.786 4.781 ( -0.000 -2.721 -5.244) 5.908 4.930 ( 0.000 0.008 2.127) 2.127 4.997 ( 0.000 3.401 -0.765) 3.486 5.102 ( -0.000 -0.811 5.296) 5.358 5.283 ( -0.000 -1.566 -8.580) 8.721 5.445 ( 0.000 0.166 0.671) 0.691 5.462 ( 0.000 0.157 -0.671) 0.690 5.570 ( -0.000 -4.938 5.811) 7.626 5.638 ( -0.000 -0.990 1.873) 2.118 5.684 ( -0.000 -2.359 0.420) 2.397 5.798 ( -0.000 -5.178 -3.887) 6.475 6.163 ( 0.000 2.924 2.038) 3.564 6.200 ( 0.000 1.269 -0.115) 1.275 ======================= Grid point 246 (93/98) ======================= q-point: (-0.62 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( -8.169 -0.000 -0.309) 8.175 1.233 ( -3.078 -0.000 -3.276) 4.495 1.389 ( -3.091 -0.000 4.450) 5.418 1.479 ( -6.373 -0.000 1.001) 6.451 1.491 ( -5.945 -0.000 -2.993) 6.656 1.537 ( -6.844 -0.000 -2.881) 7.426 1.643 ( -7.955 -0.000 3.088) 8.533 1.669 ( 0.629 0.000 4.196) 4.243 1.748 ( -3.133 -0.000 5.481) 6.313 1.893 ( 2.329 0.000 4.920) 5.443 1.938 ( 1.878 0.000 -6.610) 6.871 2.028 ( 2.032 0.000 -4.796) 5.208 2.288 ( -7.546 -0.000 0.818) 7.590 2.313 ( -12.196 -0.000 -2.220) 12.396 2.356 ( -9.600 -0.000 1.934) 9.793 2.452 ( -11.782 -0.000 -4.541) 12.627 2.580 ( -0.176 -0.000 -1.599) 1.609 2.603 ( -3.327 -0.000 0.022) 3.327 2.788 ( -1.349 -0.000 -0.785) 1.561 2.789 ( -5.514 -0.000 2.504) 6.056 2.827 ( -3.722 -0.000 0.451) 3.749 2.837 ( 1.025 0.000 -1.893) 2.152 2.837 ( -7.883 -0.000 -3.967) 8.825 2.864 ( -13.639 -0.000 -2.000) 13.784 3.323 ( 0.444 0.000 7.040) 7.054 3.392 ( 0.897 0.000 0.555) 1.055 4.020 ( -6.775 -0.000 1.283) 6.895 4.050 ( -5.549 -0.000 -1.156) 5.668 4.141 ( 1.279 0.000 0.922) 1.577 4.164 ( 1.674 0.000 -0.858) 1.881 4.472 ( 2.665 0.000 2.606) 3.727 4.536 ( 5.075 0.000 0.182) 5.079 4.583 ( 6.226 0.000 -2.426) 6.681 4.603 ( 2.956 0.000 -0.534) 3.004 4.743 ( -2.114 -0.000 1.093) 2.380 4.769 ( -11.372 -0.000 0.913) 11.408 4.802 ( -6.001 -0.000 0.605) 6.031 4.829 ( 7.619 0.000 -3.752) 8.493 4.956 ( 0.448 0.000 2.925) 2.959 5.025 ( 0.579 0.000 -1.562) 1.666 5.296 ( 3.216 0.000 8.147) 8.759 5.488 ( 2.980 0.000 -5.595) 6.339 5.489 ( 0.931 0.000 1.623) 1.871 5.566 ( 0.286 0.000 -5.551) 5.559 5.660 ( -0.452 -0.000 1.369) 1.441 5.676 ( 0.902 0.000 0.563) 1.063 5.932 ( 5.589 0.000 2.716) 6.214 6.001 ( 5.232 0.000 -2.624) 5.853 ======================= Grid point 248 (94/98) ======================= q-point: (-0.54 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( -6.538 2.390 2.457) 7.382 1.186 ( -2.504 1.302 -7.284) 7.812 1.333 ( -2.412 2.593 1.272) 3.763 1.365 ( -6.455 -0.133 -0.896) 6.518 1.395 ( -3.150 -1.490 0.961) 3.615 1.431 ( -4.565 2.132 -1.335) 5.212 1.536 ( -3.109 -3.633 4.034) 6.255 1.639 ( -2.470 -0.655 -3.860) 4.630 1.767 ( 0.985 -4.521 10.875) 11.818 1.897 ( -10.995 1.247 2.177) 11.278 1.909 ( -14.834 1.720 -0.322) 14.937 1.955 ( -8.030 -2.471 -3.374) 9.053 2.020 ( -9.771 0.581 1.116) 9.852 2.076 ( 0.693 -1.095 -1.402) 1.909 2.207 ( -13.025 1.728 1.067) 13.182 2.229 ( -9.043 -1.720 -1.689) 9.358 2.493 ( -9.649 8.146 3.185) 13.023 2.537 ( -5.176 0.154 3.539) 6.272 2.617 ( -6.872 0.151 -3.987) 7.946 2.672 ( -2.824 -0.411 -6.602) 7.192 2.728 ( -4.543 -2.109 -5.210) 7.227 2.749 ( -1.771 -2.830 -5.579) 6.502 2.876 ( 3.878 -0.295 2.544) 4.647 2.929 ( 5.560 0.239 -1.643) 5.802 3.338 ( 1.143 0.119 7.340) 7.429 3.411 ( 1.042 -0.057 0.360) 1.104 3.844 ( -12.575 -0.090 2.328) 12.789 3.892 ( -11.993 -0.038 -1.465) 12.082 4.153 ( -0.300 -0.661 0.945) 1.192 4.178 ( -0.192 -0.322 -1.054) 1.118 4.491 ( -6.406 0.620 0.045) 6.436 4.495 ( -8.754 0.048 -0.232) 8.757 4.577 ( -2.573 0.119 3.914) 4.686 4.648 ( 2.163 0.943 1.832) 2.987 4.672 ( 2.122 -1.428 -2.535) 3.601 4.726 ( 5.182 0.541 -3.892) 6.503 4.829 ( 4.700 0.040 4.366) 6.415 4.976 ( 6.146 1.311 -1.720) 6.516 4.995 ( 4.267 0.223 -1.119) 4.417 5.062 ( 3.296 -1.946 -0.202) 3.833 5.379 ( 5.063 -0.805 7.014) 8.688 5.493 ( -0.580 0.048 0.739) 0.941 5.515 ( -0.586 -0.139 -1.571) 1.683 5.589 ( 2.216 -0.892 -7.776) 8.135 5.646 ( -0.824 -0.378 2.113) 2.299 5.693 ( 1.116 -0.167 -1.029) 1.527 6.043 ( 6.333 0.229 2.733) 6.902 6.099 ( 5.406 0.471 -1.733) 5.697 ======================= Grid point 249 (95/98) ======================= q-point: (-0.46 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( -3.690 4.895 4.439) 7.568 1.123 ( -2.586 2.466 -8.173) 8.920 1.272 ( -2.118 1.966 0.366) 2.913 1.292 ( -1.554 1.767 -0.706) 2.457 1.339 ( -3.083 6.901 1.753) 7.759 1.375 ( -0.481 -0.799 -1.291) 1.592 1.493 ( -14.456 -0.197 1.480) 14.533 1.544 ( -8.405 -2.328 -2.273) 9.013 1.597 ( -7.736 -4.808 -0.598) 9.128 1.614 ( -2.558 -2.535 -2.127) 4.182 1.758 ( -7.249 -4.200 6.553) 10.637 1.837 ( -10.536 -5.074 0.576) 11.708 1.975 ( -0.327 1.465 5.795) 5.986 2.008 ( -6.103 8.330 0.265) 10.330 2.086 ( 1.417 -0.211 1.436) 2.028 2.141 ( -0.455 -1.849 -0.981) 2.142 2.266 ( -7.527 6.829 6.226) 11.919 2.430 ( -4.675 2.993 -0.933) 5.629 2.550 ( -3.548 -8.972 -1.843) 9.823 2.656 ( 0.210 1.166 -7.915) 8.004 2.678 ( -1.702 -1.164 -6.431) 6.754 2.762 ( 0.496 -2.924 -7.191) 7.778 2.949 ( 3.428 -0.150 3.936) 5.222 3.020 ( 4.146 0.196 -2.042) 4.626 3.360 ( 1.362 0.510 6.653) 6.810 3.422 ( -0.601 -0.129 0.045) 0.617 3.579 ( -14.179 -0.102 3.151) 14.525 3.637 ( -13.173 -0.767 -0.899) 13.226 4.140 ( -1.132 -0.147 1.010) 1.524 4.166 ( -0.912 0.068 -1.093) 1.425 4.339 ( -5.722 -0.184 0.530) 5.750 4.352 ( -5.636 -0.365 -0.552) 5.675 4.603 ( 2.057 1.219 4.635) 5.215 4.679 ( 1.344 0.396 2.714) 3.055 4.721 ( 1.748 -1.900 -3.460) 4.318 4.785 ( 2.122 1.963 -5.823) 6.501 4.915 ( 3.816 1.289 5.226) 6.598 5.038 ( 2.616 2.103 3.303) 4.709 5.062 ( 3.083 2.033 -1.021) 3.831 5.173 ( 4.746 -5.272 -5.830) 9.182 5.460 ( 1.270 -0.754 3.435) 3.739 5.470 ( -0.859 0.926 0.453) 1.342 5.498 ( -0.115 -1.882 1.414) 2.357 5.625 ( 0.809 -0.119 -1.883) 2.053 5.646 ( 0.322 -1.765 -0.343) 1.827 5.725 ( 1.841 -1.117 -3.489) 4.100 6.148 ( 4.706 0.843 2.285) 5.299 6.184 ( 3.838 1.217 -0.579) 4.067 ======================= Grid point 250 (96/98) ======================= q-point: (-0.38 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( 0.000 6.763 5.919) 8.987 1.086 ( 0.000 2.997 -8.460) 8.975 1.214 ( 0.000 10.430 1.167) 10.495 1.242 ( 0.000 4.653 -1.116) 4.785 1.283 ( -0.000 -3.172 0.854) 3.285 1.351 ( 0.000 3.667 2.894) 4.672 1.379 ( -0.000 -3.711 -6.439) 7.432 1.424 ( 0.000 1.686 -2.773) 3.245 1.628 ( -0.000 -3.069 6.773) 7.436 1.636 ( -0.000 -3.943 0.316) 3.955 1.648 ( -0.000 -6.417 -0.498) 6.437 1.757 ( -0.000 -10.006 -1.846) 10.175 1.873 ( 0.000 15.902 8.204) 17.894 1.965 ( 0.000 1.923 2.245) 2.956 2.142 ( 0.000 0.113 7.528) 7.529 2.146 ( -0.000 -1.500 1.012) 1.809 2.169 ( -0.000 -1.447 -0.843) 1.675 2.359 ( 0.000 5.491 -5.363) 7.675 2.570 ( -0.000 -8.940 -3.865) 9.739 2.649 ( 0.000 0.959 -1.321) 1.632 2.677 ( -0.000 -3.170 -8.608) 9.173 2.784 ( -0.000 -3.046 -6.331) 7.026 2.986 ( -0.000 -0.083 4.313) 4.314 3.064 ( 0.000 0.312 -2.132) 2.154 3.382 ( 0.000 0.395 0.203) 0.444 3.387 ( 0.000 0.351 -0.235) 0.422 3.409 ( 0.000 0.796 9.430) 9.464 3.523 ( -0.000 -0.425 -0.684) 0.805 4.125 ( 0.000 0.346 1.148) 1.199 4.154 ( 0.000 0.445 -1.125) 1.210 4.290 ( -0.000 -0.845 0.579) 1.024 4.305 ( -0.000 -0.965 -0.570) 1.121 4.614 ( 0.000 2.284 5.046) 5.539 4.690 ( 0.000 0.369 2.391) 2.420 4.750 ( -0.000 -2.623 -3.400) 4.294 4.791 ( 0.000 2.945 -5.895) 6.590 4.942 ( 0.000 1.886 4.079) 4.494 5.042 ( 0.000 4.731 0.376) 4.746 5.092 ( -0.000 -0.800 3.300) 3.396 5.249 ( -0.000 -4.814 -7.881) 9.235 5.447 ( 0.000 0.118 0.668) 0.678 5.464 ( 0.000 0.110 -0.668) 0.677 5.526 ( -0.000 -2.951 5.472) 6.217 5.632 ( -0.000 -0.213 1.190) 1.209 5.661 ( -0.000 -2.057 -1.227) 2.395 5.756 ( -0.000 -2.631 -4.330) 5.066 6.187 ( 0.000 1.719 1.916) 2.574 6.216 ( 0.000 1.455 0.026) 1.455 ======================= Grid point 261 (97/98) ======================= q-point: (-0.54 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( -3.642 -0.000 3.826) 5.282 1.135 ( -2.971 -0.000 -7.375) 7.951 1.274 ( -2.798 -0.000 -0.934) 2.949 1.296 ( -1.969 -0.000 -1.494) 2.471 1.371 ( 0.317 0.000 1.351) 1.388 1.404 ( -3.993 -0.000 -1.332) 4.209 1.494 ( -1.058 -0.000 3.499) 3.655 1.519 ( -13.008 -0.000 -0.136) 13.009 1.566 ( -15.339 -0.000 -2.529) 15.546 1.606 ( -1.621 -0.000 -3.532) 3.886 1.733 ( -5.029 -0.000 7.504) 9.033 1.808 ( -13.284 -0.000 0.415) 13.291 1.983 ( -0.240 -0.000 6.582) 6.586 2.049 ( -3.504 -0.000 -1.141) 3.685 2.085 ( 1.171 0.000 1.538) 1.933 2.131 ( -0.245 -0.000 -0.802) 0.839 2.335 ( -10.345 -0.000 4.555) 11.304 2.429 ( -4.898 -0.000 4.740) 6.816 2.486 ( -4.054 -0.000 0.152) 4.057 2.657 ( 0.208 0.000 -10.705) 10.707 2.686 ( -1.036 -0.000 -7.450) 7.522 2.742 ( 0.760 0.000 -9.228) 9.260 2.948 ( 3.564 0.000 4.101) 5.433 3.021 ( 4.114 0.000 -2.039) 4.591 3.363 ( 1.414 0.000 6.535) 6.687 3.421 ( -0.605 -0.000 0.199) 0.637 3.578 ( -14.032 -0.000 3.158) 14.383 3.633 ( -13.050 -0.000 -0.609) 13.064 4.139 ( -0.880 -0.000 1.066) 1.382 4.167 ( -0.747 -0.000 -1.126) 1.352 4.338 ( -5.971 -0.000 0.486) 5.991 4.350 ( -5.834 -0.000 -0.513) 5.857 4.609 ( 2.088 0.000 4.194) 4.685 4.681 ( 1.272 0.000 3.800) 4.008 4.710 ( 1.737 0.000 -3.800) 4.178 4.796 ( 2.220 0.000 -6.049) 6.443 4.923 ( 4.222 0.000 6.094) 7.414 5.040 ( 2.556 0.000 4.771) 5.412 5.108 ( 2.692 0.000 1.439) 3.053 5.117 ( 4.993 0.000 -9.693) 10.904 5.456 ( 1.330 0.000 3.933) 4.152 5.479 ( 0.867 0.000 1.560) 1.785 5.485 ( -1.860 -0.000 -0.741) 2.002 5.625 ( 1.368 0.000 -6.066) 6.219 5.636 ( -0.113 -0.000 3.106) 3.108 5.720 ( 1.630 0.000 -3.295) 3.676 6.153 ( 4.807 0.000 2.449) 5.395 6.191 ( 3.870 0.000 -0.708) 3.935 ======================= Grid point 263 (98/98) ======================= q-point: (-0.46 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 0.000 2.624 4.516) 5.223 1.105 ( 0.000 0.734 -6.224) 6.267 1.257 ( -0.000 -1.326 -0.957) 1.635 1.265 ( 0.000 0.857 -0.029) 0.858 1.267 ( 0.000 1.016 -0.144) 1.026 1.348 ( -0.000 -1.748 -6.432) 6.666 1.433 ( 0.000 8.217 1.732) 8.397 1.458 ( 0.000 5.100 -0.098) 5.101 1.560 ( -0.000 -9.356 0.767) 9.387 1.602 ( -0.000 -2.533 -2.331) 3.442 1.619 ( 0.000 1.581 4.611) 4.874 1.667 ( -0.000 -6.553 1.732) 6.778 1.980 ( 0.000 0.973 4.676) 4.776 2.005 ( 0.000 6.444 -0.236) 6.448 2.136 ( -0.000 -0.372 0.976) 1.045 2.158 ( -0.000 -0.573 -0.757) 0.950 2.166 ( 0.000 4.293 10.005) 10.887 2.386 ( -0.000 -0.927 2.085) 2.281 2.467 ( -0.000 -6.535 0.995) 6.610 2.662 ( -0.000 -0.198 -11.042) 11.044 2.672 ( 0.000 1.823 -6.790) 7.031 2.756 ( -0.000 -1.903 -9.410) 9.601 2.988 ( 0.000 0.144 4.386) 4.389 3.066 ( 0.000 0.073 -2.231) 2.232 3.384 ( 0.000 0.137 0.189) 0.234 3.390 ( 0.000 0.124 -0.225) 0.257 3.414 ( 0.000 0.217 9.504) 9.506 3.519 ( -0.000 -0.276 -0.010) 0.276 4.128 ( 0.000 0.190 1.175) 1.191 4.158 ( 0.000 0.230 -1.159) 1.181 4.283 ( -0.000 -0.374 0.551) 0.666 4.297 ( -0.000 -0.410 -0.535) 0.674 4.628 ( 0.000 0.502 4.204) 4.234 4.693 ( 0.000 0.267 3.922) 3.932 4.730 ( -0.000 -1.084 -3.475) 3.640 4.813 ( 0.000 1.090 -6.065) 6.162 4.961 ( 0.000 1.238 5.765) 5.897 5.067 ( -0.000 -0.232 5.136) 5.142 5.115 ( 0.000 5.313 -1.790) 5.606 5.188 ( -0.000 -6.136 -7.294) 9.532 5.447 ( 0.000 0.043 0.666) 0.667 5.464 ( 0.000 0.040 -0.666) 0.667 5.507 ( -0.000 -0.804 4.077) 4.155 5.633 ( 0.000 0.433 -0.010) 0.434 5.642 ( -0.000 -1.357 -1.317) 1.891 5.740 ( -0.000 -0.693 -4.176) 4.233 6.199 ( 0.000 0.533 2.169) 2.233 6.227 ( 0.000 0.637 -0.168) 0.658 =================== 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 3/24336 10.0 222.112 423.711 99.087 0.000 0.000 0.000 3/24336 20.0 59.259 54.329 25.204 0.000 0.000 0.000 3/24336 30.0 30.840 22.390 12.106 0.000 0.000 0.000 3/24336 40.0 20.403 13.465 7.735 0.000 0.000 0.000 3/24336 50.0 15.074 9.514 5.636 0.000 0.000 0.000 3/24336 60.0 11.918 7.338 4.427 0.000 0.000 0.000 3/24336 70.0 9.861 5.976 3.650 0.000 0.000 0.000 3/24336 80.0 8.424 5.049 3.111 0.000 0.000 0.000 3/24336 90.0 7.364 4.378 2.716 0.000 0.000 0.000 3/24336 100.0 6.550 3.870 2.414 0.000 0.000 0.000 3/24336 110.0 5.904 3.471 2.175 0.000 0.000 0.000 3/24336 120.0 5.378 3.150 1.980 0.000 0.000 0.000 3/24336 130.0 4.942 2.885 1.819 0.000 0.000 0.000 3/24336 140.0 4.573 2.662 1.683 0.000 0.000 0.000 3/24336 150.0 4.258 2.473 1.567 0.000 0.000 0.000 3/24336 160.0 3.984 2.309 1.466 0.000 0.000 0.000 3/24336 170.0 3.744 2.166 1.378 0.000 0.000 0.000 3/24336 180.0 3.532 2.041 1.300 0.000 0.000 0.000 3/24336 190.0 3.343 1.929 1.230 0.000 0.000 0.000 3/24336 200.0 3.174 1.830 1.168 0.000 0.000 0.000 3/24336 210.0 3.022 1.740 1.112 0.000 0.000 0.000 3/24336 220.0 2.883 1.659 1.061 0.000 0.000 0.000 3/24336 230.0 2.758 1.585 1.015 0.000 0.000 0.000 3/24336 240.0 2.642 1.518 0.972 0.000 0.000 0.000 3/24336 250.0 2.536 1.456 0.933 0.000 0.000 0.000 3/24336 260.0 2.439 1.399 0.897 0.000 0.000 0.000 3/24336 270.0 2.348 1.346 0.864 0.000 0.000 0.000 3/24336 280.0 2.265 1.298 0.833 0.000 0.000 0.000 3/24336 290.0 2.187 1.252 0.805 0.000 0.000 0.000 3/24336 300.0 2.114 1.210 0.778 0.000 0.000 0.000 3/24336 310.0 2.046 1.171 0.753 0.000 0.000 0.000 3/24336 320.0 1.982 1.134 0.730 0.000 0.000 0.000 3/24336 330.0 1.923 1.099 0.708 0.000 0.000 0.000 3/24336 340.0 1.866 1.067 0.687 0.000 0.000 0.000 3/24336 350.0 1.813 1.036 0.667 0.000 0.000 0.000 3/24336 360.0 1.763 1.007 0.649 0.000 0.000 0.000 3/24336 370.0 1.716 0.980 0.631 0.000 0.000 0.000 3/24336 380.0 1.671 0.954 0.615 0.000 0.000 0.000 3/24336 390.0 1.628 0.929 0.599 0.000 0.000 0.000 3/24336 400.0 1.588 0.906 0.584 0.000 0.000 0.000 3/24336 410.0 1.549 0.884 0.570 0.000 0.000 0.000 3/24336 420.0 1.513 0.863 0.557 0.000 0.000 0.000 3/24336 430.0 1.478 0.843 0.544 0.000 0.000 0.000 3/24336 440.0 1.444 0.824 0.532 0.000 0.000 0.000 3/24336 450.0 1.413 0.805 0.520 0.000 0.000 0.000 3/24336 460.0 1.382 0.788 0.509 0.000 0.000 0.000 3/24336 470.0 1.353 0.771 0.498 0.000 0.000 0.000 3/24336 480.0 1.325 0.755 0.488 0.000 0.000 0.000 3/24336 490.0 1.298 0.740 0.478 0.000 0.000 0.000 3/24336 500.0 1.272 0.725 0.468 0.000 0.000 0.000 3/24336 510.0 1.247 0.711 0.459 0.000 0.000 0.000 3/24336 520.0 1.224 0.697 0.450 0.000 0.000 0.000 3/24336 530.0 1.201 0.684 0.442 0.000 0.000 0.000 3/24336 540.0 1.179 0.671 0.434 0.000 0.000 0.000 3/24336 550.0 1.157 0.659 0.426 0.000 0.000 0.000 3/24336 560.0 1.137 0.647 0.418 0.000 0.000 0.000 3/24336 570.0 1.117 0.636 0.411 0.000 0.000 0.000 3/24336 580.0 1.098 0.625 0.404 0.000 0.000 0.000 3/24336 590.0 1.079 0.614 0.397 0.000 0.000 0.000 3/24336 600.0 1.062 0.604 0.391 0.000 0.000 0.000 3/24336 610.0 1.044 0.594 0.384 0.000 0.000 0.000 3/24336 620.0 1.028 0.585 0.378 0.000 0.000 0.000 3/24336 630.0 1.011 0.575 0.372 0.000 0.000 0.000 3/24336 640.0 0.996 0.566 0.367 0.000 0.000 0.000 3/24336 650.0 0.980 0.558 0.361 0.000 0.000 0.000 3/24336 660.0 0.966 0.549 0.355 0.000 0.000 0.000 3/24336 670.0 0.951 0.541 0.350 0.000 0.000 0.000 3/24336 680.0 0.937 0.533 0.345 0.000 0.000 0.000 3/24336 690.0 0.924 0.525 0.340 0.000 0.000 0.000 3/24336 700.0 0.911 0.518 0.335 0.000 0.000 0.000 3/24336 710.0 0.898 0.511 0.331 0.000 0.000 0.000 3/24336 720.0 0.886 0.504 0.326 0.000 0.000 0.000 3/24336 730.0 0.874 0.497 0.322 0.000 0.000 0.000 3/24336 740.0 0.862 0.490 0.317 0.000 0.000 0.000 3/24336 750.0 0.850 0.483 0.313 0.000 0.000 0.000 3/24336 760.0 0.839 0.477 0.309 0.000 0.000 0.000 3/24336 770.0 0.829 0.471 0.305 0.000 0.000 0.000 3/24336 780.0 0.818 0.465 0.301 0.000 0.000 0.000 3/24336 790.0 0.808 0.459 0.297 0.000 0.000 0.000 3/24336 800.0 0.798 0.453 0.294 0.000 0.000 0.000 3/24336 810.0 0.788 0.448 0.290 0.000 0.000 0.000 3/24336 820.0 0.778 0.442 0.287 0.000 0.000 0.000 3/24336 830.0 0.769 0.437 0.283 0.000 0.000 0.000 3/24336 840.0 0.760 0.432 0.280 0.000 0.000 0.000 3/24336 850.0 0.751 0.427 0.276 0.000 0.000 0.000 3/24336 860.0 0.742 0.422 0.273 0.000 0.000 0.000 3/24336 870.0 0.734 0.417 0.270 0.000 0.000 0.000 3/24336 880.0 0.726 0.412 0.267 0.000 0.000 0.000 3/24336 890.0 0.717 0.408 0.264 0.000 0.000 0.000 3/24336 900.0 0.710 0.403 0.261 0.000 0.000 0.000 3/24336 910.0 0.702 0.399 0.258 0.000 0.000 0.000 3/24336 920.0 0.694 0.394 0.256 0.000 0.000 0.000 3/24336 930.0 0.687 0.390 0.253 0.000 0.000 0.000 3/24336 940.0 0.680 0.386 0.250 0.000 0.000 0.000 3/24336 950.0 0.672 0.382 0.248 0.000 0.000 0.000 3/24336 960.0 0.665 0.378 0.245 0.000 0.000 0.000 3/24336 970.0 0.659 0.374 0.242 0.000 0.000 0.000 3/24336 980.0 0.652 0.370 0.240 0.000 0.000 0.000 3/24336 990.0 0.645 0.366 0.238 0.000 0.000 0.000 3/24336 1000.0 0.639 0.363 0.235 0.000 0.000 0.000 3/24336 Thermal conductivity related properties were written into "kappa-m13133.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 02:05:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|