----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:53:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [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 1.951887150000000 -6.671351339999999 0.000000000000000 b 1.951887150000000 6.671351339999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.551653009999997 Atomic positions (fractional): *1 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 2 S 0.00000000000000 0.00000000000000 0.50000000000000 32.065 *3 S 0.73715169698453 0.26284830301547 0.61135287730782 32.065 4 S 0.26284830301547 0.73715169698453 0.38864712269218 32.065 *5 S 0.56960871009050 0.43039128990950 0.25000000000000 32.065 6 S 0.73715169698453 0.26284830301547 0.88864712269218 32.065 7 S 0.43039128990950 0.56960871009050 0.75000000000000 32.065 8 S 0.26284830301547 0.73715169698453 0.11135287730782 32.065 *9 K 0.10905524724374 0.89094475275626 0.75000000000000 39.098 10 K 0.89094475275626 0.10905524724374 0.25000000000000 39.098 *11 Cu 0.16297519536204 0.83702480463796 0.25000000000000 63.546 12 Cu 0.83702480463796 0.16297519536204 0.75000000000000 63.546 *13 Y 0.63411887994828 0.36588112005172 0.43738695414133 88.906 14 Y 0.36588112005172 0.63411887994828 0.93738695414133 88.906 15 Y 0.63411887994828 0.36588112005172 0.06261304585867 88.906 16 Y 0.36588112005172 0.63411887994828 0.56261304585867 88.906 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.903774300000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.342702679999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.551653009999997 Atomic positions (fractional): *1 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 > 1 2 S 0.00000000000000 0.00000000000000 0.50000000000000 32.065 > 2 *3 S 0.00000000000000 0.26284830301547 0.61135287730782 32.065 > 3 4 S 0.50000000000000 0.23715169698453 0.38864712269218 32.065 > 4 *5 S 0.00000000000000 0.43039128990950 0.25000000000000 32.065 > 5 6 S 0.00000000000000 0.26284830301547 0.88864712269218 32.065 > 6 7 S 0.50000000000000 0.06960871009050 0.75000000000000 32.065 > 7 8 S 0.50000000000000 0.23715169698453 0.11135287730782 32.065 > 8 9 S 0.50000000000000 0.50000000000000 0.00000000000000 32.065 > 1 10 S 0.50000000000000 0.50000000000000 0.50000000000000 32.065 > 2 11 S 0.50000000000000 0.76284830301547 0.61135287730782 32.065 > 3 12 S 0.00000000000000 0.73715169698453 0.38864712269218 32.065 > 4 13 S 0.50000000000000 0.93039128990950 0.25000000000000 32.065 > 5 14 S 0.50000000000000 0.76284830301547 0.88864712269218 32.065 > 6 15 S 0.00000000000000 0.56960871009050 0.75000000000000 32.065 > 7 16 S 0.00000000000000 0.73715169698453 0.11135287730782 32.065 > 8 *17 K 0.50000000000000 0.39094475275626 0.75000000000000 39.098 > 9 18 K 0.00000000000000 0.10905524724374 0.25000000000000 39.098 > 10 19 K 0.00000000000000 0.89094475275626 0.75000000000000 39.098 > 9 20 K 0.50000000000000 0.60905524724374 0.25000000000000 39.098 > 10 *21 Cu 0.50000000000000 0.33702480463796 0.25000000000000 63.546 > 11 22 Cu 0.00000000000000 0.16297519536204 0.75000000000000 63.546 > 12 23 Cu 0.00000000000000 0.83702480463796 0.25000000000000 63.546 > 11 24 Cu 0.50000000000000 0.66297519536204 0.75000000000000 63.546 > 12 *25 Y 0.00000000000000 0.36588112005172 0.43738695414133 88.906 > 13 26 Y 0.50000000000000 0.13411887994828 0.93738695414133 88.906 > 14 27 Y 0.00000000000000 0.36588112005172 0.06261304585867 88.906 > 15 28 Y 0.50000000000000 0.13411887994828 0.56261304585867 88.906 > 16 29 Y 0.50000000000000 0.86588112005172 0.43738695414133 88.906 > 13 30 Y 0.00000000000000 0.63411887994828 0.93738695414133 88.906 > 14 31 Y 0.50000000000000 0.86588112005172 0.06261304585867 88.906 > 15 32 Y 0.00000000000000 0.63411887994828 0.56261304585867 88.906 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.615097199999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.342702679999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.551653009999997 Atomic positions (fractional): *1 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 > 1 2 S 0.25000000000000 0.00000000000000 0.00000000000000 32.065 > 1 3 S 0.50000000000000 0.00000000000000 0.00000000000000 32.065 > 1 4 S 0.75000000000000 0.00000000000000 0.00000000000000 32.065 > 1 5 S 0.00000000000000 0.00000000000000 0.50000000000000 32.065 > 2 6 S 0.25000000000000 0.00000000000000 0.50000000000000 32.065 > 2 7 S 0.50000000000000 0.00000000000000 0.50000000000000 32.065 > 2 8 S 0.75000000000000 0.00000000000000 0.50000000000000 32.065 > 2 *9 S 0.00000000000000 0.26284830301547 0.61135287730782 32.065 > 3 10 S 0.25000000000000 0.26284830301547 0.61135287730782 32.065 > 3 11 S 0.50000000000000 0.26284830301547 0.61135287730782 32.065 > 3 12 S 0.75000000000000 0.26284830301547 0.61135287730782 32.065 > 3 13 S 0.12500000000000 0.23715169698453 0.38864712269218 32.065 > 4 14 S 0.37500000000000 0.23715169698453 0.38864712269218 32.065 > 4 15 S 0.62500000000000 0.23715169698453 0.38864712269218 32.065 > 4 16 S 0.87500000000000 0.23715169698453 0.38864712269218 32.065 > 4 *17 S 0.00000000000000 0.43039128990950 0.25000000000000 32.065 > 5 18 S 0.25000000000000 0.43039128990950 0.25000000000000 32.065 > 5 19 S 0.50000000000000 0.43039128990950 0.25000000000000 32.065 > 5 20 S 0.75000000000000 0.43039128990950 0.25000000000000 32.065 > 5 21 S 0.00000000000000 0.26284830301547 0.88864712269218 32.065 > 6 22 S 0.25000000000000 0.26284830301547 0.88864712269218 32.065 > 6 23 S 0.50000000000000 0.26284830301547 0.88864712269218 32.065 > 6 24 S 0.75000000000000 0.26284830301547 0.88864712269218 32.065 > 6 25 S 0.12500000000000 0.06960871009050 0.75000000000000 32.065 > 7 26 S 0.37500000000000 0.06960871009050 0.75000000000000 32.065 > 7 27 S 0.62500000000000 0.06960871009050 0.75000000000000 32.065 > 7 28 S 0.87500000000000 0.06960871009050 0.75000000000000 32.065 > 7 29 S 0.12500000000000 0.23715169698453 0.11135287730782 32.065 > 8 30 S 0.37500000000000 0.23715169698453 0.11135287730782 32.065 > 8 31 S 0.62500000000000 0.23715169698453 0.11135287730782 32.065 > 8 32 S 0.87500000000000 0.23715169698453 0.11135287730782 32.065 > 8 33 S 0.12500000000000 0.50000000000000 0.00000000000000 32.065 > 1 34 S 0.37500000000000 0.50000000000000 0.00000000000000 32.065 > 1 35 S 0.62500000000000 0.50000000000000 0.00000000000000 32.065 > 1 36 S 0.87500000000000 0.50000000000000 0.00000000000000 32.065 > 1 37 S 0.12500000000000 0.50000000000000 0.50000000000000 32.065 > 2 38 S 0.37500000000000 0.50000000000000 0.50000000000000 32.065 > 2 39 S 0.62500000000000 0.50000000000000 0.50000000000000 32.065 > 2 40 S 0.87500000000000 0.50000000000000 0.50000000000000 32.065 > 2 41 S 0.12500000000000 0.76284830301547 0.61135287730782 32.065 > 3 42 S 0.37500000000000 0.76284830301547 0.61135287730782 32.065 > 3 43 S 0.62500000000000 0.76284830301547 0.61135287730782 32.065 > 3 44 S 0.87500000000000 0.76284830301547 0.61135287730782 32.065 > 3 45 S 0.00000000000000 0.73715169698453 0.38864712269218 32.065 > 4 46 S 0.25000000000000 0.73715169698453 0.38864712269218 32.065 > 4 47 S 0.50000000000000 0.73715169698453 0.38864712269218 32.065 > 4 48 S 0.75000000000000 0.73715169698453 0.38864712269218 32.065 > 4 49 S 0.12500000000000 0.93039128990950 0.25000000000000 32.065 > 5 50 S 0.37500000000000 0.93039128990950 0.25000000000000 32.065 > 5 51 S 0.62500000000000 0.93039128990950 0.25000000000000 32.065 > 5 52 S 0.87500000000000 0.93039128990950 0.25000000000000 32.065 > 5 53 S 0.12500000000000 0.76284830301547 0.88864712269218 32.065 > 6 54 S 0.37500000000000 0.76284830301547 0.88864712269218 32.065 > 6 55 S 0.62500000000000 0.76284830301547 0.88864712269218 32.065 > 6 56 S 0.87500000000000 0.76284830301547 0.88864712269218 32.065 > 6 57 S 0.00000000000000 0.56960871009050 0.75000000000000 32.065 > 7 58 S 0.25000000000000 0.56960871009050 0.75000000000000 32.065 > 7 59 S 0.50000000000000 0.56960871009050 0.75000000000000 32.065 > 7 60 S 0.75000000000000 0.56960871009050 0.75000000000000 32.065 > 7 61 S 0.00000000000000 0.73715169698453 0.11135287730782 32.065 > 8 62 S 0.25000000000000 0.73715169698453 0.11135287730782 32.065 > 8 63 S 0.50000000000000 0.73715169698453 0.11135287730782 32.065 > 8 64 S 0.75000000000000 0.73715169698453 0.11135287730782 32.065 > 8 *65 K 0.12500000000000 0.39094475275626 0.75000000000000 39.098 > 9 66 K 0.37500000000000 0.39094475275626 0.75000000000000 39.098 > 9 67 K 0.62500000000000 0.39094475275626 0.75000000000000 39.098 > 9 68 K 0.87500000000000 0.39094475275626 0.75000000000000 39.098 > 9 69 K 0.00000000000000 0.10905524724374 0.25000000000000 39.098 > 10 70 K 0.25000000000000 0.10905524724374 0.25000000000000 39.098 > 10 71 K 0.50000000000000 0.10905524724374 0.25000000000000 39.098 > 10 72 K 0.75000000000000 0.10905524724374 0.25000000000000 39.098 > 10 73 K 0.00000000000000 0.89094475275626 0.75000000000000 39.098 > 9 74 K 0.25000000000000 0.89094475275626 0.75000000000000 39.098 > 9 75 K 0.50000000000000 0.89094475275626 0.75000000000000 39.098 > 9 76 K 0.75000000000000 0.89094475275626 0.75000000000000 39.098 > 9 77 K 0.12500000000000 0.60905524724374 0.25000000000000 39.098 > 10 78 K 0.37500000000000 0.60905524724374 0.25000000000000 39.098 > 10 79 K 0.62500000000000 0.60905524724374 0.25000000000000 39.098 > 10 80 K 0.87500000000000 0.60905524724374 0.25000000000000 39.098 > 10 *81 Cu 0.12500000000000 0.33702480463796 0.25000000000000 63.546 > 11 82 Cu 0.37500000000000 0.33702480463796 0.25000000000000 63.546 > 11 83 Cu 0.62500000000000 0.33702480463796 0.25000000000000 63.546 > 11 84 Cu 0.87500000000000 0.33702480463796 0.25000000000000 63.546 > 11 85 Cu 0.00000000000000 0.16297519536204 0.75000000000000 63.546 > 12 86 Cu 0.25000000000000 0.16297519536204 0.75000000000000 63.546 > 12 87 Cu 0.50000000000000 0.16297519536204 0.75000000000000 63.546 > 12 88 Cu 0.75000000000000 0.16297519536204 0.75000000000000 63.546 > 12 89 Cu 0.00000000000000 0.83702480463796 0.25000000000000 63.546 > 11 90 Cu 0.25000000000000 0.83702480463796 0.25000000000000 63.546 > 11 91 Cu 0.50000000000000 0.83702480463796 0.25000000000000 63.546 > 11 92 Cu 0.75000000000000 0.83702480463796 0.25000000000000 63.546 > 11 93 Cu 0.12500000000000 0.66297519536204 0.75000000000000 63.546 > 12 94 Cu 0.37500000000000 0.66297519536204 0.75000000000000 63.546 > 12 95 Cu 0.62500000000000 0.66297519536204 0.75000000000000 63.546 > 12 96 Cu 0.87500000000000 0.66297519536204 0.75000000000000 63.546 > 12 *97 Y 0.00000000000000 0.36588112005172 0.43738695414133 88.906 > 13 98 Y 0.25000000000000 0.36588112005172 0.43738695414133 88.906 > 13 99 Y 0.50000000000000 0.36588112005172 0.43738695414133 88.906 > 13 100 Y 0.75000000000000 0.36588112005172 0.43738695414133 88.906 > 13 101 Y 0.12500000000000 0.13411887994828 0.93738695414133 88.906 > 14 102 Y 0.37500000000000 0.13411887994828 0.93738695414133 88.906 > 14 103 Y 0.62500000000000 0.13411887994828 0.93738695414133 88.906 > 14 104 Y 0.87500000000000 0.13411887994828 0.93738695414133 88.906 > 14 105 Y 0.00000000000000 0.36588112005172 0.06261304585867 88.906 > 15 106 Y 0.25000000000000 0.36588112005172 0.06261304585867 88.906 > 15 107 Y 0.50000000000000 0.36588112005172 0.06261304585867 88.906 > 15 108 Y 0.75000000000000 0.36588112005172 0.06261304585867 88.906 > 15 109 Y 0.12500000000000 0.13411887994828 0.56261304585867 88.906 > 16 110 Y 0.37500000000000 0.13411887994828 0.56261304585867 88.906 > 16 111 Y 0.62500000000000 0.13411887994828 0.56261304585867 88.906 > 16 112 Y 0.87500000000000 0.13411887994828 0.56261304585867 88.906 > 16 113 Y 0.12500000000000 0.86588112005172 0.43738695414133 88.906 > 13 114 Y 0.37500000000000 0.86588112005172 0.43738695414133 88.906 > 13 115 Y 0.62500000000000 0.86588112005172 0.43738695414133 88.906 > 13 116 Y 0.87500000000000 0.86588112005172 0.43738695414133 88.906 > 13 117 Y 0.00000000000000 0.63411887994828 0.93738695414133 88.906 > 14 118 Y 0.25000000000000 0.63411887994828 0.93738695414133 88.906 > 14 119 Y 0.50000000000000 0.63411887994828 0.93738695414133 88.906 > 14 120 Y 0.75000000000000 0.63411887994828 0.93738695414133 88.906 > 14 121 Y 0.12500000000000 0.86588112005172 0.06261304585867 88.906 > 15 122 Y 0.37500000000000 0.86588112005172 0.06261304585867 88.906 > 15 123 Y 0.62500000000000 0.86588112005172 0.06261304585867 88.906 > 15 124 Y 0.87500000000000 0.86588112005172 0.06261304585867 88.906 > 15 125 Y 0.00000000000000 0.63411887994828 0.56261304585867 88.906 > 16 126 Y 0.25000000000000 0.63411887994828 0.56261304585867 88.906 > 16 127 Y 0.50000000000000 0.63411887994828 0.56261304585867 88.906 > 16 128 Y 0.75000000000000 0.63411887994828 0.56261304585867 88.906 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.2199448 0.0000000 0.0000000 0.0000000 5.9436075 0.0000000 0.0000000 0.0000000 7.9311613 -------------------------- Born effective charges -------------------------- 1 S -3.8139518 0.0000000 0.0000000 0.0000000 -3.0567651 0.9431923 0.0000000 0.8139365 -1.5804645 2 S -3.8139518 0.0000000 0.0000000 0.0000000 -3.0567651 -0.9431923 0.0000000 -0.8139365 -1.5804645 3 S -2.4870829 0.0000000 0.0000000 0.0000000 -2.1265791 0.4036614 0.0000000 0.6173561 -2.6986258 4 S -2.4870829 0.0000000 0.0000000 0.0000000 -2.1265791 0.4036614 0.0000000 0.6173561 -2.6986258 5 S -1.6216461 0.0000000 0.0000000 0.0000000 -1.3771771 0.0000000 0.0000000 0.0000000 -3.4236599 6 S -2.4870829 0.0000000 0.0000000 0.0000000 -2.1265791 -0.4036614 0.0000000 -0.6173561 -2.6986258 7 S -1.6216461 0.0000000 0.0000000 0.0000000 -1.3771771 0.0000000 0.0000000 0.0000000 -3.4236599 8 S -2.4870829 0.0000000 0.0000000 0.0000000 -2.1265791 -0.4036614 0.0000000 -0.6173561 -2.6986258 9 K 1.1220608 0.0000000 0.0000000 0.0000000 1.5430166 0.0000000 0.0000000 0.0000000 1.2689539 10 K 1.1220608 0.0000000 0.0000000 0.0000000 1.5430166 0.0000000 0.0000000 0.0000000 1.2689539 11 Cu 0.4449876 0.0000000 0.0000000 0.0000000 0.3314986 0.0000000 0.0000000 0.0000000 0.1963083 12 Cu 0.4449876 0.0000000 0.0000000 0.0000000 0.3314986 0.0000000 0.0000000 0.0000000 0.1963083 13 Y 4.4213576 0.0000000 0.0000000 0.0000000 3.4062926 0.0005409 0.0000000 -0.2911677 4.4680569 14 Y 4.4213576 0.0000000 0.0000000 0.0000000 3.4062926 -0.0005409 0.0000000 0.2911677 4.4680569 15 Y 4.4213576 0.0000000 0.0000000 0.0000000 3.4062926 -0.0005409 0.0000000 0.2911677 4.4680569 16 Y 4.4213576 0.0000000 0.0000000 0.0000000 3.4062926 0.0005409 0.0000000 -0.2911677 4.4680569 ---------------------------------------------------------------------------- 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): 0.005 Solver_block: 100 / 240 - Time: 1.808 Solver_block: 200 / 240 - Time: 1.843 Solver_block: 240 / 240 - Time: 0.810 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.496 --------------------------------- 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 2026-01-07 23:54:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:54:06]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [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 1.951887150000000 -6.671351339999999 0.000000000000000 b 1.951887150000000 6.671351339999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.551653009999997 Atomic positions (fractional): 1 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 2 S 0.00000000000000 0.00000000000000 0.50000000000000 32.065 3 S 0.73715169698453 0.26284830301547 0.61135287730782 32.065 4 S 0.26284830301547 0.73715169698453 0.38864712269218 32.065 5 S 0.56960871009050 0.43039128990950 0.25000000000000 32.065 6 S 0.73715169698453 0.26284830301547 0.88864712269218 32.065 7 S 0.43039128990950 0.56960871009050 0.75000000000000 32.065 8 S 0.26284830301547 0.73715169698453 0.11135287730782 32.065 9 K 0.10905524724374 0.89094475275626 0.75000000000000 39.098 10 K 0.89094475275626 0.10905524724374 0.25000000000000 39.098 11 Cu 0.16297519536204 0.83702480463796 0.25000000000000 63.546 12 Cu 0.83702480463796 0.16297519536204 0.75000000000000 63.546 13 Y 0.63411887994828 0.36588112005172 0.43738695414133 88.906 14 Y 0.36588112005172 0.63411887994828 0.93738695414133 88.906 15 Y 0.63411887994828 0.36588112005172 0.06261304585867 88.906 16 Y 0.36588112005172 0.63411887994828 0.56261304585867 88.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.615097199999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.342702679999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.551653009999997 Atomic positions (fractional): 1 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 > 1 2 S 0.25000000000000 0.00000000000000 0.00000000000000 32.065 > 1 3 S 0.50000000000000 0.00000000000000 0.00000000000000 32.065 > 1 4 S 0.75000000000000 0.00000000000000 0.00000000000000 32.065 > 1 5 S 0.00000000000000 0.00000000000000 0.50000000000000 32.065 > 5 6 S 0.25000000000000 0.00000000000000 0.50000000000000 32.065 > 5 7 S 0.50000000000000 0.00000000000000 0.50000000000000 32.065 > 5 8 S 0.75000000000000 0.00000000000000 0.50000000000000 32.065 > 5 9 S 0.00000000000000 0.26284830301547 0.61135287730782 32.065 > 9 10 S 0.25000000000000 0.26284830301547 0.61135287730782 32.065 > 9 11 S 0.50000000000000 0.26284830301547 0.61135287730782 32.065 > 9 12 S 0.75000000000000 0.26284830301547 0.61135287730782 32.065 > 9 13 S 0.12500000000000 0.23715169698453 0.38864712269218 32.065 > 13 14 S 0.37500000000000 0.23715169698453 0.38864712269218 32.065 > 13 15 S 0.62500000000000 0.23715169698453 0.38864712269218 32.065 > 13 16 S 0.87500000000000 0.23715169698453 0.38864712269218 32.065 > 13 17 S 0.00000000000000 0.43039128990950 0.25000000000000 32.065 > 17 18 S 0.25000000000000 0.43039128990950 0.25000000000000 32.065 > 17 19 S 0.50000000000000 0.43039128990950 0.25000000000000 32.065 > 17 20 S 0.75000000000000 0.43039128990950 0.25000000000000 32.065 > 17 21 S 0.00000000000000 0.26284830301547 0.88864712269218 32.065 > 21 22 S 0.25000000000000 0.26284830301547 0.88864712269218 32.065 > 21 23 S 0.50000000000000 0.26284830301547 0.88864712269218 32.065 > 21 24 S 0.75000000000000 0.26284830301547 0.88864712269218 32.065 > 21 25 S 0.12500000000000 0.06960871009050 0.75000000000000 32.065 > 25 26 S 0.37500000000000 0.06960871009050 0.75000000000000 32.065 > 25 27 S 0.62500000000000 0.06960871009050 0.75000000000000 32.065 > 25 28 S 0.87500000000000 0.06960871009050 0.75000000000000 32.065 > 25 29 S 0.12500000000000 0.23715169698453 0.11135287730782 32.065 > 29 30 S 0.37500000000000 0.23715169698453 0.11135287730782 32.065 > 29 31 S 0.62500000000000 0.23715169698453 0.11135287730782 32.065 > 29 32 S 0.87500000000000 0.23715169698453 0.11135287730782 32.065 > 29 33 S 0.12500000000000 0.50000000000000 0.00000000000000 32.065 > 1 34 S 0.37500000000000 0.50000000000000 0.00000000000000 32.065 > 1 35 S 0.62500000000000 0.50000000000000 0.00000000000000 32.065 > 1 36 S 0.87500000000000 0.50000000000000 0.00000000000000 32.065 > 1 37 S 0.12500000000000 0.50000000000000 0.50000000000000 32.065 > 5 38 S 0.37500000000000 0.50000000000000 0.50000000000000 32.065 > 5 39 S 0.62500000000000 0.50000000000000 0.50000000000000 32.065 > 5 40 S 0.87500000000000 0.50000000000000 0.50000000000000 32.065 > 5 41 S 0.12500000000000 0.76284830301547 0.61135287730782 32.065 > 9 42 S 0.37500000000000 0.76284830301547 0.61135287730782 32.065 > 9 43 S 0.62500000000000 0.76284830301547 0.61135287730782 32.065 > 9 44 S 0.87500000000000 0.76284830301547 0.61135287730782 32.065 > 9 45 S 0.00000000000000 0.73715169698453 0.38864712269218 32.065 > 13 46 S 0.25000000000000 0.73715169698453 0.38864712269218 32.065 > 13 47 S 0.50000000000000 0.73715169698453 0.38864712269218 32.065 > 13 48 S 0.75000000000000 0.73715169698453 0.38864712269218 32.065 > 13 49 S 0.12500000000000 0.93039128990950 0.25000000000000 32.065 > 17 50 S 0.37500000000000 0.93039128990950 0.25000000000000 32.065 > 17 51 S 0.62500000000000 0.93039128990950 0.25000000000000 32.065 > 17 52 S 0.87500000000000 0.93039128990950 0.25000000000000 32.065 > 17 53 S 0.12500000000000 0.76284830301547 0.88864712269218 32.065 > 21 54 S 0.37500000000000 0.76284830301547 0.88864712269218 32.065 > 21 55 S 0.62500000000000 0.76284830301547 0.88864712269218 32.065 > 21 56 S 0.87500000000000 0.76284830301547 0.88864712269218 32.065 > 21 57 S 0.00000000000000 0.56960871009050 0.75000000000000 32.065 > 25 58 S 0.25000000000000 0.56960871009050 0.75000000000000 32.065 > 25 59 S 0.50000000000000 0.56960871009050 0.75000000000000 32.065 > 25 60 S 0.75000000000000 0.56960871009050 0.75000000000000 32.065 > 25 61 S 0.00000000000000 0.73715169698453 0.11135287730782 32.065 > 29 62 S 0.25000000000000 0.73715169698453 0.11135287730782 32.065 > 29 63 S 0.50000000000000 0.73715169698453 0.11135287730782 32.065 > 29 64 S 0.75000000000000 0.73715169698453 0.11135287730782 32.065 > 29 65 K 0.12500000000000 0.39094475275626 0.75000000000000 39.098 > 65 66 K 0.37500000000000 0.39094475275626 0.75000000000000 39.098 > 65 67 K 0.62500000000000 0.39094475275626 0.75000000000000 39.098 > 65 68 K 0.87500000000000 0.39094475275626 0.75000000000000 39.098 > 65 69 K 0.00000000000000 0.10905524724374 0.25000000000000 39.098 > 69 70 K 0.25000000000000 0.10905524724374 0.25000000000000 39.098 > 69 71 K 0.50000000000000 0.10905524724374 0.25000000000000 39.098 > 69 72 K 0.75000000000000 0.10905524724374 0.25000000000000 39.098 > 69 73 K 0.00000000000000 0.89094475275626 0.75000000000000 39.098 > 65 74 K 0.25000000000000 0.89094475275626 0.75000000000000 39.098 > 65 75 K 0.50000000000000 0.89094475275626 0.75000000000000 39.098 > 65 76 K 0.75000000000000 0.89094475275626 0.75000000000000 39.098 > 65 77 K 0.12500000000000 0.60905524724374 0.25000000000000 39.098 > 69 78 K 0.37500000000000 0.60905524724374 0.25000000000000 39.098 > 69 79 K 0.62500000000000 0.60905524724374 0.25000000000000 39.098 > 69 80 K 0.87500000000000 0.60905524724374 0.25000000000000 39.098 > 69 81 Cu 0.12500000000000 0.33702480463796 0.25000000000000 63.546 > 81 82 Cu 0.37500000000000 0.33702480463796 0.25000000000000 63.546 > 81 83 Cu 0.62500000000000 0.33702480463796 0.25000000000000 63.546 > 81 84 Cu 0.87500000000000 0.33702480463796 0.25000000000000 63.546 > 81 85 Cu 0.00000000000000 0.16297519536204 0.75000000000000 63.546 > 85 86 Cu 0.25000000000000 0.16297519536204 0.75000000000000 63.546 > 85 87 Cu 0.50000000000000 0.16297519536204 0.75000000000000 63.546 > 85 88 Cu 0.75000000000000 0.16297519536204 0.75000000000000 63.546 > 85 89 Cu 0.00000000000000 0.83702480463796 0.25000000000000 63.546 > 81 90 Cu 0.25000000000000 0.83702480463796 0.25000000000000 63.546 > 81 91 Cu 0.50000000000000 0.83702480463796 0.25000000000000 63.546 > 81 92 Cu 0.75000000000000 0.83702480463796 0.25000000000000 63.546 > 81 93 Cu 0.12500000000000 0.66297519536204 0.75000000000000 63.546 > 85 94 Cu 0.37500000000000 0.66297519536204 0.75000000000000 63.546 > 85 95 Cu 0.62500000000000 0.66297519536204 0.75000000000000 63.546 > 85 96 Cu 0.87500000000000 0.66297519536204 0.75000000000000 63.546 > 85 97 Y 0.00000000000000 0.36588112005172 0.43738695414133 88.906 > 97 98 Y 0.25000000000000 0.36588112005172 0.43738695414133 88.906 > 97 99 Y 0.50000000000000 0.36588112005172 0.43738695414133 88.906 > 97 100 Y 0.75000000000000 0.36588112005172 0.43738695414133 88.906 > 97 101 Y 0.12500000000000 0.13411887994828 0.93738695414133 88.906 > 101 102 Y 0.37500000000000 0.13411887994828 0.93738695414133 88.906 > 101 103 Y 0.62500000000000 0.13411887994828 0.93738695414133 88.906 > 101 104 Y 0.87500000000000 0.13411887994828 0.93738695414133 88.906 > 101 105 Y 0.00000000000000 0.36588112005172 0.06261304585867 88.906 > 105 106 Y 0.25000000000000 0.36588112005172 0.06261304585867 88.906 > 105 107 Y 0.50000000000000 0.36588112005172 0.06261304585867 88.906 > 105 108 Y 0.75000000000000 0.36588112005172 0.06261304585867 88.906 > 105 109 Y 0.12500000000000 0.13411887994828 0.56261304585867 88.906 > 109 110 Y 0.37500000000000 0.13411887994828 0.56261304585867 88.906 > 109 111 Y 0.62500000000000 0.13411887994828 0.56261304585867 88.906 > 109 112 Y 0.87500000000000 0.13411887994828 0.56261304585867 88.906 > 109 113 Y 0.12500000000000 0.86588112005172 0.43738695414133 88.906 > 97 114 Y 0.37500000000000 0.86588112005172 0.43738695414133 88.906 > 97 115 Y 0.62500000000000 0.86588112005172 0.43738695414133 88.906 > 97 116 Y 0.87500000000000 0.86588112005172 0.43738695414133 88.906 > 97 117 Y 0.00000000000000 0.63411887994828 0.93738695414133 88.906 > 101 118 Y 0.25000000000000 0.63411887994828 0.93738695414133 88.906 > 101 119 Y 0.50000000000000 0.63411887994828 0.93738695414133 88.906 > 101 120 Y 0.75000000000000 0.63411887994828 0.93738695414133 88.906 > 101 121 Y 0.12500000000000 0.86588112005172 0.06261304585867 88.906 > 105 122 Y 0.37500000000000 0.86588112005172 0.06261304585867 88.906 > 105 123 Y 0.62500000000000 0.86588112005172 0.06261304585867 88.906 > 105 124 Y 0.87500000000000 0.86588112005172 0.06261304585867 88.906 > 105 125 Y 0.00000000000000 0.63411887994828 0.56261304585867 88.906 > 109 126 Y 0.25000000000000 0.63411887994828 0.56261304585867 88.906 > 109 127 Y 0.50000000000000 0.63411887994828 0.56261304585867 88.906 > 109 128 Y 0.75000000000000 0.63411887994828 0.56261304585867 88.906 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.2199448 0.0000000 0.0000000 0.0000000 5.9436075 0.0000000 0.0000000 0.0000000 7.9311613 -------------------------- Born effective charges -------------------------- 1 S -3.8139518 0.0000000 0.0000000 0.0000000 -3.0567651 0.9431923 0.0000000 0.8139365 -1.5804645 2 S -3.8139518 0.0000000 0.0000000 0.0000000 -3.0567651 -0.9431923 0.0000000 -0.8139365 -1.5804645 3 S -2.4870829 0.0000000 0.0000000 0.0000000 -2.1265791 0.4036614 0.0000000 0.6173561 -2.6986258 4 S -2.4870829 0.0000000 0.0000000 0.0000000 -2.1265791 0.4036614 0.0000000 0.6173561 -2.6986258 5 S -1.6216461 0.0000000 0.0000000 0.0000000 -1.3771771 0.0000000 0.0000000 0.0000000 -3.4236599 6 S -2.4870829 0.0000000 0.0000000 0.0000000 -2.1265791 -0.4036614 0.0000000 -0.6173561 -2.6986258 7 S -1.6216461 0.0000000 0.0000000 0.0000000 -1.3771771 0.0000000 0.0000000 0.0000000 -3.4236599 8 S -2.4870829 0.0000000 0.0000000 0.0000000 -2.1265791 -0.4036614 0.0000000 -0.6173561 -2.6986258 9 K 1.1220608 0.0000000 0.0000000 0.0000000 1.5430166 0.0000000 0.0000000 0.0000000 1.2689539 10 K 1.1220608 0.0000000 0.0000000 0.0000000 1.5430166 0.0000000 0.0000000 0.0000000 1.2689539 11 Cu 0.4449876 0.0000000 0.0000000 0.0000000 0.3314986 0.0000000 0.0000000 0.0000000 0.1963083 12 Cu 0.4449876 0.0000000 0.0000000 0.0000000 0.3314986 0.0000000 0.0000000 0.0000000 0.1963083 13 Y 4.4213576 0.0000000 0.0000000 0.0000000 3.4062926 0.0005409 0.0000000 -0.2911677 4.4680569 14 Y 4.4213576 0.0000000 0.0000000 0.0000000 3.4062926 -0.0005409 0.0000000 0.2911677 4.4680569 15 Y 4.4213576 0.0000000 0.0000000 0.0000000 3.4062926 -0.0005409 0.0000000 0.2911677 4.4680569 16 Y 4.4213576 0.0000000 0.0000000 0.0000000 3.4062926 0.0005409 0.0000000 -0.2911677 4.4680569 ---------------------------------------------------------------------------- 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[ 9, 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[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:54:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:54:27]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [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 1.951887150000000 -6.671351339999999 0.000000000000000 b 1.951887150000000 6.671351339999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.551653009999997 Atomic positions (fractional): 1 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 2 S 0.00000000000000 0.00000000000000 0.50000000000000 32.065 3 S 0.73715169698453 0.26284830301547 0.61135287730782 32.065 4 S 0.26284830301547 0.73715169698453 0.38864712269218 32.065 5 S 0.56960871009050 0.43039128990950 0.25000000000000 32.065 6 S 0.73715169698453 0.26284830301547 0.88864712269218 32.065 7 S 0.43039128990950 0.56960871009050 0.75000000000000 32.065 8 S 0.26284830301547 0.73715169698453 0.11135287730782 32.065 9 K 0.10905524724374 0.89094475275626 0.75000000000000 39.098 10 K 0.89094475275626 0.10905524724374 0.25000000000000 39.098 11 Cu 0.16297519536204 0.83702480463796 0.25000000000000 63.546 12 Cu 0.83702480463796 0.16297519536204 0.75000000000000 63.546 13 Y 0.63411887994828 0.36588112005172 0.43738695414133 88.906 14 Y 0.36588112005172 0.63411887994828 0.93738695414133 88.906 15 Y 0.63411887994828 0.36588112005172 0.06261304585867 88.906 16 Y 0.36588112005172 0.63411887994828 0.56261304585867 88.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.615097199999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.342702679999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.551653009999997 Atomic positions (fractional): 1 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 > 1 2 S 0.25000000000000 0.00000000000000 0.00000000000000 32.065 > 1 3 S 0.50000000000000 0.00000000000000 0.00000000000000 32.065 > 1 4 S 0.75000000000000 0.00000000000000 0.00000000000000 32.065 > 1 5 S 0.00000000000000 0.00000000000000 0.50000000000000 32.065 > 5 6 S 0.25000000000000 0.00000000000000 0.50000000000000 32.065 > 5 7 S 0.50000000000000 0.00000000000000 0.50000000000000 32.065 > 5 8 S 0.75000000000000 0.00000000000000 0.50000000000000 32.065 > 5 9 S 0.00000000000000 0.26284830301547 0.61135287730782 32.065 > 9 10 S 0.25000000000000 0.26284830301547 0.61135287730782 32.065 > 9 11 S 0.50000000000000 0.26284830301547 0.61135287730782 32.065 > 9 12 S 0.75000000000000 0.26284830301547 0.61135287730782 32.065 > 9 13 S 0.12500000000000 0.23715169698453 0.38864712269218 32.065 > 13 14 S 0.37500000000000 0.23715169698453 0.38864712269218 32.065 > 13 15 S 0.62500000000000 0.23715169698453 0.38864712269218 32.065 > 13 16 S 0.87500000000000 0.23715169698453 0.38864712269218 32.065 > 13 17 S 0.00000000000000 0.43039128990950 0.25000000000000 32.065 > 17 18 S 0.25000000000000 0.43039128990950 0.25000000000000 32.065 > 17 19 S 0.50000000000000 0.43039128990950 0.25000000000000 32.065 > 17 20 S 0.75000000000000 0.43039128990950 0.25000000000000 32.065 > 17 21 S 0.00000000000000 0.26284830301547 0.88864712269218 32.065 > 21 22 S 0.25000000000000 0.26284830301547 0.88864712269218 32.065 > 21 23 S 0.50000000000000 0.26284830301547 0.88864712269218 32.065 > 21 24 S 0.75000000000000 0.26284830301547 0.88864712269218 32.065 > 21 25 S 0.12500000000000 0.06960871009050 0.75000000000000 32.065 > 25 26 S 0.37500000000000 0.06960871009050 0.75000000000000 32.065 > 25 27 S 0.62500000000000 0.06960871009050 0.75000000000000 32.065 > 25 28 S 0.87500000000000 0.06960871009050 0.75000000000000 32.065 > 25 29 S 0.12500000000000 0.23715169698453 0.11135287730782 32.065 > 29 30 S 0.37500000000000 0.23715169698453 0.11135287730782 32.065 > 29 31 S 0.62500000000000 0.23715169698453 0.11135287730782 32.065 > 29 32 S 0.87500000000000 0.23715169698453 0.11135287730782 32.065 > 29 33 S 0.12500000000000 0.50000000000000 0.00000000000000 32.065 > 1 34 S 0.37500000000000 0.50000000000000 0.00000000000000 32.065 > 1 35 S 0.62500000000000 0.50000000000000 0.00000000000000 32.065 > 1 36 S 0.87500000000000 0.50000000000000 0.00000000000000 32.065 > 1 37 S 0.12500000000000 0.50000000000000 0.50000000000000 32.065 > 5 38 S 0.37500000000000 0.50000000000000 0.50000000000000 32.065 > 5 39 S 0.62500000000000 0.50000000000000 0.50000000000000 32.065 > 5 40 S 0.87500000000000 0.50000000000000 0.50000000000000 32.065 > 5 41 S 0.12500000000000 0.76284830301547 0.61135287730782 32.065 > 9 42 S 0.37500000000000 0.76284830301547 0.61135287730782 32.065 > 9 43 S 0.62500000000000 0.76284830301547 0.61135287730782 32.065 > 9 44 S 0.87500000000000 0.76284830301547 0.61135287730782 32.065 > 9 45 S 0.00000000000000 0.73715169698453 0.38864712269218 32.065 > 13 46 S 0.25000000000000 0.73715169698453 0.38864712269218 32.065 > 13 47 S 0.50000000000000 0.73715169698453 0.38864712269218 32.065 > 13 48 S 0.75000000000000 0.73715169698453 0.38864712269218 32.065 > 13 49 S 0.12500000000000 0.93039128990950 0.25000000000000 32.065 > 17 50 S 0.37500000000000 0.93039128990950 0.25000000000000 32.065 > 17 51 S 0.62500000000000 0.93039128990950 0.25000000000000 32.065 > 17 52 S 0.87500000000000 0.93039128990950 0.25000000000000 32.065 > 17 53 S 0.12500000000000 0.76284830301547 0.88864712269218 32.065 > 21 54 S 0.37500000000000 0.76284830301547 0.88864712269218 32.065 > 21 55 S 0.62500000000000 0.76284830301547 0.88864712269218 32.065 > 21 56 S 0.87500000000000 0.76284830301547 0.88864712269218 32.065 > 21 57 S 0.00000000000000 0.56960871009050 0.75000000000000 32.065 > 25 58 S 0.25000000000000 0.56960871009050 0.75000000000000 32.065 > 25 59 S 0.50000000000000 0.56960871009050 0.75000000000000 32.065 > 25 60 S 0.75000000000000 0.56960871009050 0.75000000000000 32.065 > 25 61 S 0.00000000000000 0.73715169698453 0.11135287730782 32.065 > 29 62 S 0.25000000000000 0.73715169698453 0.11135287730782 32.065 > 29 63 S 0.50000000000000 0.73715169698453 0.11135287730782 32.065 > 29 64 S 0.75000000000000 0.73715169698453 0.11135287730782 32.065 > 29 65 K 0.12500000000000 0.39094475275626 0.75000000000000 39.098 > 65 66 K 0.37500000000000 0.39094475275626 0.75000000000000 39.098 > 65 67 K 0.62500000000000 0.39094475275626 0.75000000000000 39.098 > 65 68 K 0.87500000000000 0.39094475275626 0.75000000000000 39.098 > 65 69 K 0.00000000000000 0.10905524724374 0.25000000000000 39.098 > 69 70 K 0.25000000000000 0.10905524724374 0.25000000000000 39.098 > 69 71 K 0.50000000000000 0.10905524724374 0.25000000000000 39.098 > 69 72 K 0.75000000000000 0.10905524724374 0.25000000000000 39.098 > 69 73 K 0.00000000000000 0.89094475275626 0.75000000000000 39.098 > 65 74 K 0.25000000000000 0.89094475275626 0.75000000000000 39.098 > 65 75 K 0.50000000000000 0.89094475275626 0.75000000000000 39.098 > 65 76 K 0.75000000000000 0.89094475275626 0.75000000000000 39.098 > 65 77 K 0.12500000000000 0.60905524724374 0.25000000000000 39.098 > 69 78 K 0.37500000000000 0.60905524724374 0.25000000000000 39.098 > 69 79 K 0.62500000000000 0.60905524724374 0.25000000000000 39.098 > 69 80 K 0.87500000000000 0.60905524724374 0.25000000000000 39.098 > 69 81 Cu 0.12500000000000 0.33702480463796 0.25000000000000 63.546 > 81 82 Cu 0.37500000000000 0.33702480463796 0.25000000000000 63.546 > 81 83 Cu 0.62500000000000 0.33702480463796 0.25000000000000 63.546 > 81 84 Cu 0.87500000000000 0.33702480463796 0.25000000000000 63.546 > 81 85 Cu 0.00000000000000 0.16297519536204 0.75000000000000 63.546 > 85 86 Cu 0.25000000000000 0.16297519536204 0.75000000000000 63.546 > 85 87 Cu 0.50000000000000 0.16297519536204 0.75000000000000 63.546 > 85 88 Cu 0.75000000000000 0.16297519536204 0.75000000000000 63.546 > 85 89 Cu 0.00000000000000 0.83702480463796 0.25000000000000 63.546 > 81 90 Cu 0.25000000000000 0.83702480463796 0.25000000000000 63.546 > 81 91 Cu 0.50000000000000 0.83702480463796 0.25000000000000 63.546 > 81 92 Cu 0.75000000000000 0.83702480463796 0.25000000000000 63.546 > 81 93 Cu 0.12500000000000 0.66297519536204 0.75000000000000 63.546 > 85 94 Cu 0.37500000000000 0.66297519536204 0.75000000000000 63.546 > 85 95 Cu 0.62500000000000 0.66297519536204 0.75000000000000 63.546 > 85 96 Cu 0.87500000000000 0.66297519536204 0.75000000000000 63.546 > 85 97 Y 0.00000000000000 0.36588112005172 0.43738695414133 88.906 > 97 98 Y 0.25000000000000 0.36588112005172 0.43738695414133 88.906 > 97 99 Y 0.50000000000000 0.36588112005172 0.43738695414133 88.906 > 97 100 Y 0.75000000000000 0.36588112005172 0.43738695414133 88.906 > 97 101 Y 0.12500000000000 0.13411887994828 0.93738695414133 88.906 > 101 102 Y 0.37500000000000 0.13411887994828 0.93738695414133 88.906 > 101 103 Y 0.62500000000000 0.13411887994828 0.93738695414133 88.906 > 101 104 Y 0.87500000000000 0.13411887994828 0.93738695414133 88.906 > 101 105 Y 0.00000000000000 0.36588112005172 0.06261304585867 88.906 > 105 106 Y 0.25000000000000 0.36588112005172 0.06261304585867 88.906 > 105 107 Y 0.50000000000000 0.36588112005172 0.06261304585867 88.906 > 105 108 Y 0.75000000000000 0.36588112005172 0.06261304585867 88.906 > 105 109 Y 0.12500000000000 0.13411887994828 0.56261304585867 88.906 > 109 110 Y 0.37500000000000 0.13411887994828 0.56261304585867 88.906 > 109 111 Y 0.62500000000000 0.13411887994828 0.56261304585867 88.906 > 109 112 Y 0.87500000000000 0.13411887994828 0.56261304585867 88.906 > 109 113 Y 0.12500000000000 0.86588112005172 0.43738695414133 88.906 > 97 114 Y 0.37500000000000 0.86588112005172 0.43738695414133 88.906 > 97 115 Y 0.62500000000000 0.86588112005172 0.43738695414133 88.906 > 97 116 Y 0.87500000000000 0.86588112005172 0.43738695414133 88.906 > 97 117 Y 0.00000000000000 0.63411887994828 0.93738695414133 88.906 > 101 118 Y 0.25000000000000 0.63411887994828 0.93738695414133 88.906 > 101 119 Y 0.50000000000000 0.63411887994828 0.93738695414133 88.906 > 101 120 Y 0.75000000000000 0.63411887994828 0.93738695414133 88.906 > 101 121 Y 0.12500000000000 0.86588112005172 0.06261304585867 88.906 > 105 122 Y 0.37500000000000 0.86588112005172 0.06261304585867 88.906 > 105 123 Y 0.62500000000000 0.86588112005172 0.06261304585867 88.906 > 105 124 Y 0.87500000000000 0.86588112005172 0.06261304585867 88.906 > 105 125 Y 0.00000000000000 0.63411887994828 0.56261304585867 88.906 > 109 126 Y 0.25000000000000 0.63411887994828 0.56261304585867 88.906 > 109 127 Y 0.50000000000000 0.63411887994828 0.56261304585867 88.906 > 109 128 Y 0.75000000000000 0.63411887994828 0.56261304585867 88.906 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.2199448 0.0000000 0.0000000 0.0000000 5.9436075 0.0000000 0.0000000 0.0000000 7.9311613 -------------------------- Born effective charges -------------------------- 1 S -3.8139518 0.0000000 0.0000000 0.0000000 -3.0567651 0.9431923 0.0000000 0.8139365 -1.5804645 2 S -3.8139518 0.0000000 0.0000000 0.0000000 -3.0567651 -0.9431923 0.0000000 -0.8139365 -1.5804645 3 S -2.4870829 0.0000000 0.0000000 0.0000000 -2.1265791 0.4036614 0.0000000 0.6173561 -2.6986258 4 S -2.4870829 0.0000000 0.0000000 0.0000000 -2.1265791 0.4036614 0.0000000 0.6173561 -2.6986258 5 S -1.6216461 0.0000000 0.0000000 0.0000000 -1.3771771 0.0000000 0.0000000 0.0000000 -3.4236599 6 S -2.4870829 0.0000000 0.0000000 0.0000000 -2.1265791 -0.4036614 0.0000000 -0.6173561 -2.6986258 7 S -1.6216461 0.0000000 0.0000000 0.0000000 -1.3771771 0.0000000 0.0000000 0.0000000 -3.4236599 8 S -2.4870829 0.0000000 0.0000000 0.0000000 -2.1265791 -0.4036614 0.0000000 -0.6173561 -2.6986258 9 K 1.1220608 0.0000000 0.0000000 0.0000000 1.5430166 0.0000000 0.0000000 0.0000000 1.2689539 10 K 1.1220608 0.0000000 0.0000000 0.0000000 1.5430166 0.0000000 0.0000000 0.0000000 1.2689539 11 Cu 0.4449876 0.0000000 0.0000000 0.0000000 0.3314986 0.0000000 0.0000000 0.0000000 0.1963083 12 Cu 0.4449876 0.0000000 0.0000000 0.0000000 0.3314986 0.0000000 0.0000000 0.0000000 0.1963083 13 Y 4.4213576 0.0000000 0.0000000 0.0000000 3.4062926 0.0005409 0.0000000 -0.2911677 4.4680569 14 Y 4.4213576 0.0000000 0.0000000 0.0000000 3.4062926 -0.0005409 0.0000000 0.2911677 4.4680569 15 Y 4.4213576 0.0000000 0.0000000 0.0000000 3.4062926 -0.0005409 0.0000000 0.2911677 4.4680569 16 Y 4.4213576 0.0000000 0.0000000 0.0000000 3.4062926 0.0005409 0.0000000 -0.2911677 4.4680569 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) 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 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.59, Number of G-points: 295, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/147) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.237 ( 0.000 0.000 0.000) 0.000 1.741 ( 0.000 0.000 0.000) 0.000 1.987 ( 0.000 0.000 0.000) 0.000 2.484 ( 0.000 0.000 0.000) 0.000 2.520 ( 0.000 0.000 0.000) 0.000 2.789 ( 0.000 0.000 0.000) 0.000 2.930 ( 0.000 0.000 0.000) 0.000 2.950 ( 0.000 0.000 0.000) 0.000 2.985 ( 0.000 0.000 0.000) 0.000 3.041 ( 0.000 0.000 0.000) 0.000 3.228 ( 0.000 0.000 0.000) 0.000 3.426 ( 0.000 0.000 0.000) 0.000 3.674 ( 0.000 0.000 0.000) 0.000 3.684 ( 0.000 0.000 0.000) 0.000 3.739 ( 0.000 0.000 0.000) 0.000 3.767 ( 0.000 0.000 0.000) 0.000 3.898 ( 0.000 0.000 0.000) 0.000 4.161 ( 0.000 0.000 0.000) 0.000 4.452 ( 0.000 0.000 0.000) 0.000 4.571 ( 0.000 0.000 0.000) 0.000 4.672 ( 0.000 0.000 0.000) 0.000 4.788 ( 0.000 0.000 0.000) 0.000 5.246 ( 0.000 0.000 0.000) 0.000 5.976 ( 0.000 0.000 0.000) 0.000 6.001 ( 0.000 0.000 0.000) 0.000 6.742 ( 0.000 0.000 0.000) 0.000 6.747 ( 0.000 0.000 0.000) 0.000 6.850 ( 0.000 0.000 0.000) 0.000 6.939 ( 0.000 0.000 0.000) 0.000 6.980 ( 0.000 0.000 0.000) 0.000 7.043 ( 0.000 0.000 0.000) 0.000 7.593 ( 0.000 0.000 0.000) 0.000 7.631 ( 0.000 0.000 0.000) 0.000 7.734 ( 0.000 0.000 0.000) 0.000 7.744 ( 0.000 0.000 0.000) 0.000 8.016 ( 0.000 0.000 0.000) 0.000 8.046 ( 0.000 0.000 0.000) 0.000 8.070 ( 0.000 0.000 0.000) 0.000 8.077 ( 0.000 0.000 0.000) 0.000 8.199 ( 0.000 0.000 0.000) 0.000 9.167 ( 0.000 0.000 0.000) 0.000 9.283 ( 0.000 0.000 0.000) 0.000 9.573 ( 0.000 0.000 0.000) 0.000 9.711 ( 0.000 0.000 0.000) 0.000 10.157 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/147) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( 27.275 -6.653 0.000) 28.074 0.675 ( 32.789 -3.089 0.000) 32.934 1.180 ( 53.124 -13.915 0.000) 54.916 1.397 ( 13.272 -5.568 0.000) 14.393 1.968 ( 18.238 -1.927 0.000) 18.339 2.122 ( 12.087 -1.067 0.000) 12.134 2.485 ( 3.480 3.046 0.000) 4.625 2.710 ( 14.386 2.050 0.000) 14.531 2.808 ( 2.526 2.894 0.000) 3.841 2.846 ( -4.057 0.580 0.000) 4.098 2.854 ( -3.170 -1.652 0.000) 3.575 3.156 ( 8.743 0.974 0.000) 8.797 3.166 ( 10.296 3.363 0.000) 10.832 3.257 ( 3.525 -2.804 0.000) 4.504 3.454 ( 3.613 1.447 0.000) 3.892 3.647 ( -1.050 1.472 0.000) 1.808 3.687 ( -2.015 -5.879 0.000) 6.214 3.729 ( -0.893 0.558 0.000) 1.053 3.789 ( 2.164 0.702 0.000) 2.275 3.892 ( -0.587 -0.461 0.000) 0.746 4.163 ( 0.229 0.296 0.000) 0.375 4.399 ( -1.195 9.950 0.000) 10.022 4.576 ( 0.827 0.165 0.000) 0.844 4.710 ( -1.301 -11.882 0.000) 11.953 4.716 ( -5.997 2.856 0.000) 6.643 5.173 ( -6.252 2.845 0.000) 6.869 6.264 ( 23.547 -0.090 0.000) 23.547 6.699 ( 3.449 2.685 0.000) 4.371 6.765 ( 2.074 1.632 0.000) 2.639 6.812 ( -2.795 -2.679 0.000) 3.871 6.848 ( -2.780 5.544 0.000) 6.202 7.063 ( 6.343 -1.143 0.000) 6.445 7.125 ( 11.276 8.792 0.000) 14.299 7.573 ( -4.283 -1.165 0.000) 4.439 7.609 ( 1.553 0.421 0.000) 1.609 7.672 ( -5.794 0.195 0.000) 5.798 7.722 ( -2.200 -0.331 0.000) 2.225 7.929 ( -3.893 8.944 0.000) 9.755 8.007 ( -4.009 1.362 0.000) 4.233 8.062 ( 6.718 -3.357 0.000) 7.510 8.105 ( -0.582 -1.788 0.000) 1.881 8.248 ( 4.522 -1.974 0.000) 4.934 9.151 ( -1.920 0.025 0.000) 1.920 9.285 ( 0.929 0.909 0.000) 1.300 9.297 ( -1.171 0.034 0.000) 1.171 9.562 ( -0.945 0.151 0.000) 0.957 9.690 ( -2.558 -1.502 0.000) 2.966 10.105 ( -6.367 -2.776 0.000) 6.946 ======================= Grid point 2 (3/147) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 25.645 -4.980 0.000) 26.124 1.315 ( 30.782 -0.551 0.000) 30.787 1.759 ( 18.587 -5.930 0.000) 19.510 2.184 ( 39.249 -9.547 0.000) 40.394 2.283 ( 10.392 -0.377 0.000) 10.398 2.408 ( 14.404 -3.573 0.000) 14.841 2.592 ( 9.133 4.191 0.000) 10.049 2.749 ( -2.708 1.993 0.000) 3.362 2.854 ( 2.539 0.031 0.000) 2.539 2.913 ( 5.703 0.835 0.000) 5.763 3.062 ( 21.593 0.763 0.000) 21.607 3.232 ( 1.614 -0.440 0.000) 1.673 3.379 ( 13.217 3.573 0.000) 13.692 3.449 ( 11.962 0.494 0.000) 11.972 3.532 ( 3.654 5.595 0.000) 6.682 3.637 ( -0.689 -0.008 0.000) 0.689 3.708 ( 0.128 1.110 0.000) 1.117 3.724 ( 6.194 -8.923 0.000) 10.862 3.833 ( 2.826 1.252 0.000) 3.091 3.886 ( 0.010 -0.492 0.000) 0.492 4.168 ( 0.830 1.015 0.000) 1.311 4.338 ( 0.187 6.061 0.000) 6.064 4.544 ( -8.807 3.719 0.000) 9.560 4.620 ( 2.677 -0.467 0.000) 2.717 4.725 ( -2.497 -7.141 0.000) 7.565 4.993 ( -9.359 2.143 0.000) 9.601 6.705 ( 9.250 2.262 0.000) 9.522 6.758 ( 3.226 1.312 0.000) 3.482 6.774 ( 2.552 -2.836 0.000) 3.815 6.786 ( -1.760 0.388 0.000) 1.802 6.891 ( 14.173 -2.123 0.000) 14.331 7.210 ( 7.724 -0.364 0.000) 7.733 7.307 ( 10.300 2.521 0.000) 10.604 7.510 ( -8.653 1.726 0.000) 8.823 7.518 ( -1.662 -0.909 0.000) 1.895 7.637 ( -2.064 -0.725 0.000) 2.188 7.688 ( 1.371 -0.243 0.000) 1.392 7.762 ( -7.449 7.523 0.000) 10.587 7.880 ( -7.732 -2.007 0.000) 7.988 8.053 ( -4.850 -1.597 0.000) 5.106 8.262 ( 9.925 -0.594 0.000) 9.942 8.381 ( 7.710 0.199 0.000) 7.713 9.083 ( -4.809 0.054 0.000) 4.809 9.245 ( -2.350 7.168 0.000) 7.543 9.319 ( 3.384 3.480 0.000) 4.854 9.541 ( -0.806 0.321 0.000) 0.868 9.635 ( -4.087 -3.244 0.000) 5.218 9.975 ( -7.693 -2.864 0.000) 8.209 ======================= Grid point 3 (4/147) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 23.095 -3.015 0.000) 23.291 1.878 ( 26.545 2.442 0.000) 26.657 2.146 ( 16.561 -3.397 0.000) 16.906 2.411 ( 4.585 0.851 0.000) 4.663 2.650 ( 11.534 -1.662 0.000) 11.653 2.719 ( 0.446 -0.566 0.000) 0.721 2.766 ( 11.428 4.266 0.000) 12.198 2.803 ( 14.999 -3.656 0.000) 15.439 2.924 ( 5.108 3.067 0.000) 5.958 2.969 ( 0.658 1.396 0.000) 1.544 3.260 ( 0.780 -1.108 0.000) 1.355 3.476 ( 13.708 -1.449 0.000) 13.784 3.509 ( -2.906 1.748 0.000) 3.392 3.590 ( 7.639 2.819 0.000) 8.143 3.615 ( -0.258 -0.452 0.000) 0.520 3.628 ( 7.043 7.005 0.000) 9.934 3.823 ( 13.561 -0.196 0.000) 13.563 3.896 ( 4.597 -0.875 0.000) 4.679 3.929 ( 6.554 -2.730 0.000) 7.100 4.022 ( 13.824 -2.587 0.000) 14.064 4.192 ( 1.818 1.022 0.000) 2.086 4.329 ( -1.319 -2.339 0.000) 2.685 4.385 ( -1.367 1.482 0.000) 2.016 4.574 ( -5.187 1.896 0.000) 5.523 4.793 ( 5.803 -1.836 0.000) 6.087 4.839 ( -4.947 -3.312 0.000) 5.953 6.702 ( -2.191 -1.952 0.000) 2.935 6.770 ( -0.243 -1.946 0.000) 1.961 6.805 ( 2.312 1.570 0.000) 2.795 6.856 ( 3.299 -0.227 0.000) 3.307 7.205 ( 6.792 1.428 0.000) 6.941 7.365 ( -0.038 1.635 0.000) 1.636 7.372 ( 7.385 -1.120 0.000) 7.470 7.490 ( 8.281 -0.168 0.000) 8.283 7.495 ( -2.855 -1.386 0.000) 3.174 7.562 ( -4.286 -0.956 0.000) 4.391 7.581 ( -5.540 6.147 0.000) 8.275 7.761 ( -4.422 -2.628 0.000) 5.144 7.770 ( 5.577 -0.470 0.000) 5.597 7.948 ( -5.708 0.437 0.000) 5.725 8.422 ( 5.259 -0.473 0.000) 5.281 8.527 ( 6.821 0.339 0.000) 6.829 8.968 ( -6.624 0.461 0.000) 6.640 9.115 ( -4.906 12.834 0.000) 13.740 9.346 ( 1.554 6.929 0.000) 7.101 9.536 ( 0.620 0.444 0.000) 0.763 9.583 ( -3.220 -4.695 0.000) 5.693 9.855 ( -6.190 -3.570 0.000) 7.146 ======================= Grid point 4 (5/147) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( 19.823 -0.889 0.000) 19.843 2.319 ( 19.826 4.388 0.000) 20.306 2.388 ( 6.170 0.012 0.000) 6.170 2.502 ( 4.526 -1.750 0.000) 4.853 2.795 ( 6.933 -1.476 0.000) 7.089 2.838 ( 7.336 1.523 0.000) 7.492 2.901 ( 5.121 4.766 0.000) 6.996 2.950 ( -1.062 1.419 0.000) 1.772 2.973 ( 4.525 3.598 0.000) 5.781 3.050 ( 8.224 0.103 0.000) 8.224 3.258 ( -1.437 1.179 0.000) 1.859 3.414 ( -5.645 0.208 0.000) 5.649 3.570 ( 0.232 3.959 0.000) 3.966 3.613 ( 0.393 0.056 0.000) 0.397 3.648 ( 0.688 6.838 0.000) 6.873 3.716 ( 6.510 3.888 0.000) 7.583 3.946 ( 3.720 0.204 0.000) 3.726 3.987 ( 3.447 0.506 0.000) 3.484 4.057 ( -6.712 -2.011 0.000) 7.007 4.197 ( -6.093 -4.461 0.000) 7.551 4.226 ( 3.897 1.874 0.000) 4.324 4.353 ( 14.544 -3.281 0.000) 14.910 4.592 ( 3.792 -11.165 0.000) 11.791 4.633 ( 17.781 -4.461 0.000) 18.332 4.768 ( -0.942 -1.371 0.000) 1.663 4.990 ( 11.641 -0.898 0.000) 11.675 6.678 ( -0.780 -0.820 0.000) 1.132 6.790 ( 0.940 -1.316 0.000) 1.618 6.844 ( 2.848 0.695 0.000) 2.932 6.920 ( 2.957 -1.416 0.000) 3.279 7.169 ( -1.681 5.069 0.000) 5.340 7.389 ( -5.361 1.674 0.000) 5.616 7.409 ( 2.913 3.228 0.000) 4.348 7.454 ( -2.775 -2.367 0.000) 3.647 7.481 ( -3.741 -0.328 0.000) 3.755 7.579 ( 4.764 -2.415 0.000) 5.341 7.639 ( 5.731 -0.421 0.000) 5.747 7.755 ( 1.266 0.275 0.000) 1.296 7.854 ( -1.846 0.590 0.000) 1.938 7.902 ( 6.978 -1.326 0.000) 7.103 8.466 ( -0.868 -0.282 0.000) 0.913 8.621 ( 1.866 -0.439 0.000) 1.917 8.818 ( -8.208 1.275 0.000) 8.307 8.924 ( -5.657 14.351 0.000) 15.426 9.300 ( -1.664 6.380 0.000) 6.594 9.549 ( -3.083 -2.917 0.000) 4.244 9.559 ( 1.873 0.466 0.000) 1.930 9.770 ( -4.522 -2.953 0.000) 5.401 ======================= Grid point 5 (6/147) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( 14.854 1.311 0.000) 14.911 2.443 ( 1.367 0.762 0.000) 1.565 2.577 ( 1.687 -3.486 0.000) 3.873 2.595 ( 10.485 4.923 0.000) 11.583 2.897 ( -0.535 1.083 0.000) 1.208 2.910 ( 1.113 5.274 0.000) 5.390 2.944 ( 3.748 3.044 0.000) 4.829 2.997 ( 8.354 -1.187 0.000) 8.437 3.039 ( 4.272 3.099 0.000) 5.278 3.146 ( -0.609 1.925 0.000) 2.019 3.239 ( 3.168 0.543 0.000) 3.214 3.302 ( -5.490 -0.592 0.000) 5.522 3.539 ( 0.134 4.096 0.000) 4.099 3.549 ( -4.069 6.690 0.000) 7.830 3.652 ( 2.327 1.081 0.000) 2.566 3.832 ( 5.706 -0.142 0.000) 5.708 3.940 ( -5.940 -2.312 0.000) 6.374 3.994 ( 0.836 1.662 0.000) 1.861 4.022 ( 1.294 -0.159 0.000) 1.303 4.084 ( -5.071 -4.664 0.000) 6.890 4.285 ( 2.606 1.083 0.000) 2.822 4.551 ( 3.151 -0.406 0.000) 3.177 4.666 ( -3.118 -18.617 0.000) 18.877 4.836 ( 6.100 7.737 0.000) 9.853 4.958 ( 11.139 -5.095 0.000) 12.249 5.285 ( 14.584 -4.732 0.000) 15.332 6.689 ( 1.866 0.435 0.000) 1.916 6.808 ( 0.829 1.099 0.000) 1.377 6.928 ( 5.307 -1.799 0.000) 5.604 6.992 ( 3.304 -1.501 0.000) 3.629 7.135 ( 0.995 5.407 0.000) 5.498 7.289 ( -4.013 2.593 0.000) 4.778 7.414 ( -0.879 -1.486 0.000) 1.727 7.429 ( 0.423 2.260 0.000) 2.299 7.449 ( 0.154 -2.702 0.000) 2.706 7.638 ( -0.494 -2.366 0.000) 2.417 7.664 ( -2.269 0.560 0.000) 2.337 7.811 ( 5.423 1.538 0.000) 5.637 7.894 ( 4.346 -0.434 0.000) 4.367 8.053 ( 7.439 -1.588 0.000) 7.607 8.397 ( -6.197 0.375 0.000) 6.209 8.580 ( -4.188 3.966 0.000) 5.768 8.631 ( -9.692 1.979 0.000) 9.892 8.774 ( -2.956 6.337 0.000) 6.992 9.231 ( -1.833 4.034 0.000) 4.431 9.487 ( -4.082 -1.231 0.000) 4.264 9.595 ( 1.802 0.478 0.000) 1.864 9.709 ( -3.017 -1.710 0.000) 3.468 ======================= Grid point 6 (7/147) ======================= q-point: ( 0.46 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( -0.065 0.324 0.000) 0.330 2.582 ( 0.915 -0.768 0.000) 1.194 2.678 ( 1.666 3.311 0.000) 3.706 2.685 ( 7.146 1.317 0.000) 7.267 2.869 ( -1.617 -1.095 0.000) 1.953 2.895 ( 0.354 1.414 0.000) 1.457 3.006 ( 2.811 0.946 0.000) 2.966 3.056 ( -1.052 1.126 0.000) 1.541 3.130 ( 1.330 2.078 0.000) 2.467 3.148 ( 5.268 0.304 0.000) 5.277 3.213 ( -3.742 -1.893 0.000) 4.194 3.297 ( 1.433 -0.311 0.000) 1.467 3.440 ( -2.767 3.833 0.000) 4.727 3.533 ( 0.314 0.624 0.000) 0.699 3.698 ( 2.253 0.488 0.000) 2.306 3.854 ( -3.406 -1.155 0.000) 3.596 3.918 ( 2.360 -0.728 0.000) 2.470 3.979 ( -0.527 1.402 0.000) 1.497 4.048 ( -0.015 -0.828 0.000) 0.828 4.050 ( 0.044 -0.778 0.000) 0.779 4.313 ( 0.772 0.416 0.000) 0.877 4.544 ( -1.450 -0.653 0.000) 1.590 4.718 ( -1.735 -10.641 0.000) 10.781 4.876 ( 3.015 7.162 0.000) 7.771 5.118 ( 3.202 -2.128 0.000) 3.844 5.517 ( 5.569 -2.475 0.000) 6.094 6.731 ( 1.721 0.200 0.000) 1.733 6.815 ( 0.430 0.747 0.000) 0.862 7.051 ( 1.627 -0.635 0.000) 1.746 7.058 ( 6.190 -2.426 0.000) 6.648 7.129 ( 0.437 2.663 0.000) 2.698 7.186 ( -5.193 2.245 0.000) 5.658 7.427 ( 0.659 1.633 0.000) 1.761 7.436 ( 1.821 -1.458 0.000) 2.333 7.491 ( 1.641 -0.552 0.000) 1.731 7.599 ( -3.452 -1.108 0.000) 3.625 7.636 ( -0.085 -0.950 0.000) 0.954 7.867 ( 0.721 0.677 0.000) 0.989 8.025 ( 8.632 -0.158 0.000) 8.633 8.215 ( 7.926 -1.446 0.000) 8.057 8.222 ( -9.902 1.732 0.000) 10.052 8.427 ( -9.207 1.797 0.000) 9.381 8.497 ( -1.462 2.046 0.000) 2.514 8.707 ( -1.785 0.984 0.000) 2.039 9.190 ( -0.633 1.376 0.000) 1.515 9.425 ( -2.071 -0.352 0.000) 2.101 9.620 ( 0.902 0.337 0.000) 0.963 9.672 ( -1.274 -0.643 0.000) 1.427 ======================= Grid point 14 (8/147) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 26.904 0.000 0.000) 26.904 1.316 ( 31.888 0.000 0.000) 31.888 1.724 ( 19.856 0.000 0.000) 19.856 2.124 ( 42.925 0.000 0.000) 42.925 2.281 ( 11.232 0.000 0.000) 11.232 2.388 ( 13.634 0.000 0.000) 13.634 2.618 ( 8.592 0.000 0.000) 8.592 2.761 ( -3.724 -0.000 0.000) 3.724 2.853 ( 3.451 0.000 0.000) 3.451 2.918 ( 5.626 0.000 0.000) 5.626 3.068 ( 20.864 0.000 0.000) 20.864 3.228 ( 1.107 0.000 0.000) 1.107 3.399 ( 11.860 0.000 0.000) 11.860 3.452 ( 13.287 0.000 0.000) 13.287 3.610 ( -3.363 -0.000 0.000) 3.363 3.612 ( 4.744 0.000 0.000) 4.744 3.652 ( 9.005 0.000 0.000) 9.005 3.715 ( -0.105 -0.000 0.000) 0.105 3.841 ( 2.750 0.000 0.000) 2.750 3.884 ( 0.069 0.000 0.000) 0.069 4.174 ( 0.832 0.000 0.000) 0.832 4.375 ( -3.415 -0.000 0.000) 3.415 4.567 ( -9.338 -0.000 0.000) 9.338 4.639 ( 4.895 0.000 0.000) 4.895 4.657 ( -1.021 -0.000 0.000) 1.021 5.007 ( -10.787 -0.000 0.000) 10.787 6.736 ( -3.266 -0.000 0.000) 3.266 6.737 ( 15.103 0.000 0.000) 15.103 6.766 ( 3.112 0.000 0.000) 3.112 6.787 ( -2.992 -0.000 0.000) 2.992 6.881 ( 14.261 0.000 0.000) 14.261 7.208 ( 7.880 0.000 0.000) 7.880 7.323 ( 8.762 0.000 0.000) 8.762 7.512 ( -1.500 -0.000 0.000) 1.500 7.521 ( -8.673 -0.000 0.000) 8.673 7.632 ( -2.120 -0.000 0.000) 2.120 7.687 ( 1.532 0.000 0.000) 1.532 7.829 ( -7.688 -0.000 0.000) 7.688 7.847 ( -9.273 -0.000 0.000) 9.273 8.043 ( -4.130 -0.000 0.000) 4.130 8.259 ( 10.198 0.000 0.000) 10.198 8.382 ( 8.050 0.000 0.000) 8.050 9.084 ( -4.767 -0.000 0.000) 4.767 9.290 ( -1.124 -0.000 0.000) 1.124 9.341 ( 4.234 0.000 0.000) 4.234 9.543 ( -0.744 -0.000 0.000) 0.744 9.614 ( -4.476 -0.000 0.000) 4.476 9.956 ( -7.797 -0.000 0.000) 7.797 ======================= Grid point 15 (9/147) ======================= q-point: ( 0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 24.272 -1.079 0.000) 24.296 1.903 ( 27.504 1.329 0.000) 27.536 2.118 ( 18.270 -1.232 0.000) 18.312 2.418 ( 4.283 0.353 0.000) 4.298 2.633 ( 11.262 -0.943 0.000) 11.301 2.712 ( -0.593 -0.380 0.000) 0.704 2.766 ( 20.393 -1.767 0.000) 20.469 2.804 ( 10.281 1.654 0.000) 10.413 2.950 ( 5.472 1.241 0.000) 5.611 2.980 ( 0.797 0.521 0.000) 0.952 3.250 ( 1.164 -0.518 0.000) 1.274 3.466 ( 13.635 -0.451 0.000) 13.643 3.522 ( -4.720 0.574 0.000) 4.754 3.611 ( -0.131 -0.084 0.000) 0.156 3.615 ( 8.956 1.014 0.000) 9.014 3.683 ( 9.284 2.477 0.000) 9.609 3.818 ( 15.781 -0.435 0.000) 15.787 3.897 ( 2.724 0.847 0.000) 2.852 3.909 ( 3.645 -1.183 0.000) 3.833 4.000 ( 15.682 -1.008 0.000) 15.715 4.200 ( 2.021 0.351 0.000) 2.051 4.305 ( -3.734 -1.228 0.000) 3.931 4.399 ( -3.960 0.743 0.000) 4.029 4.593 ( -6.837 0.931 0.000) 6.901 4.779 ( 8.011 -0.510 0.000) 8.027 4.809 ( -6.396 -1.583 0.000) 6.589 6.685 ( -1.938 -0.799 0.000) 2.096 6.753 ( -0.567 -0.790 0.000) 0.972 6.818 ( 2.292 0.588 0.000) 2.366 6.854 ( 2.985 -0.091 0.000) 2.987 7.217 ( 9.576 0.642 0.000) 9.598 7.350 ( 5.858 -0.980 0.000) 5.940 7.392 ( -0.229 1.255 0.000) 1.275 7.482 ( -2.819 -0.527 0.000) 2.868 7.490 ( 7.722 -0.082 0.000) 7.723 7.552 ( -4.485 -0.544 0.000) 4.518 7.648 ( -7.153 5.042 0.000) 8.752 7.722 ( -4.017 -3.801 0.000) 5.530 7.767 ( 5.367 -0.163 0.000) 5.370 7.952 ( -4.871 0.227 0.000) 4.877 8.418 ( 5.360 -0.162 0.000) 5.363 8.529 ( 6.391 0.110 0.000) 6.392 8.972 ( -6.450 0.140 0.000) 6.451 9.224 ( -4.333 5.275 0.000) 6.826 9.418 ( 3.227 4.815 0.000) 5.796 9.529 ( -4.308 -3.980 0.000) 5.865 9.541 ( 0.762 0.414 0.000) 0.868 9.819 ( -6.330 -2.116 0.000) 6.674 ======================= Grid point 16 (10/147) ======================= q-point: ( 0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( 20.907 -0.502 0.000) 20.913 2.363 ( 19.963 2.894 0.000) 20.172 2.388 ( 7.286 -0.038 0.000) 7.286 2.487 ( 3.066 -0.873 0.000) 3.187 2.779 ( 7.517 -1.111 0.000) 7.599 2.840 ( 8.893 -0.468 0.000) 8.905 2.945 ( 4.479 2.519 0.000) 5.139 2.965 ( -1.412 1.003 0.000) 1.732 3.013 ( 6.833 3.126 0.000) 7.514 3.050 ( 5.806 -0.255 0.000) 5.812 3.269 ( 0.372 0.832 0.000) 0.911 3.413 ( -6.085 -0.219 0.000) 6.089 3.587 ( 2.608 0.045 0.000) 2.608 3.614 ( 0.576 0.026 0.000) 0.576 3.719 ( 2.579 4.890 0.000) 5.528 3.782 ( 4.461 5.615 0.000) 7.171 3.951 ( 3.353 0.569 0.000) 3.401 3.991 ( 3.668 0.079 0.000) 3.669 4.032 ( -7.987 -2.061 0.000) 8.248 4.177 ( -4.691 1.881 0.000) 5.054 4.246 ( 3.349 1.423 0.000) 3.639 4.318 ( 18.696 -3.139 0.000) 18.957 4.449 ( -6.754 -11.959 0.000) 13.735 4.592 ( 16.850 -2.575 0.000) 17.046 4.768 ( 2.608 0.518 0.000) 2.659 4.982 ( 10.922 -0.514 0.000) 10.934 6.671 ( 0.188 -0.411 0.000) 0.452 6.774 ( 2.013 -1.117 0.000) 2.303 6.854 ( 1.929 0.742 0.000) 2.066 6.906 ( 2.524 -0.893 0.000) 2.678 7.225 ( -0.439 4.347 0.000) 4.369 7.397 ( -4.051 -0.023 0.000) 4.051 7.399 ( -2.119 -3.251 0.000) 3.880 7.469 ( 2.258 3.696 0.000) 4.331 7.489 ( -6.605 1.343 0.000) 6.740 7.549 ( 4.106 -2.882 0.000) 5.017 7.635 ( 5.710 -0.248 0.000) 5.715 7.747 ( 3.461 -1.066 0.000) 3.621 7.865 ( -2.688 0.965 0.000) 2.856 7.890 ( 6.756 -0.718 0.000) 6.794 8.463 ( -0.805 -0.179 0.000) 0.825 8.616 ( 2.088 -0.272 0.000) 2.106 8.828 ( -7.953 0.604 0.000) 7.976 9.062 ( -7.534 8.924 0.000) 11.679 9.369 ( -3.249 5.397 0.000) 6.299 9.512 ( -1.603 -3.356 0.000) 3.719 9.567 ( 1.970 0.743 0.000) 2.106 9.733 ( -4.039 -3.015 0.000) 5.041 ======================= Grid point 17 (11/147) ======================= q-point: ( 0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.443 ( 11.990 0.715 0.000) 12.012 2.452 ( 5.215 0.689 0.000) 5.260 2.543 ( 1.898 -2.344 0.000) 3.016 2.646 ( 10.551 3.683 0.000) 11.176 2.911 ( -1.608 1.199 0.000) 2.006 2.958 ( -0.553 3.268 0.000) 3.315 2.967 ( 3.718 0.849 0.000) 3.813 2.983 ( 8.850 -1.167 0.000) 8.926 3.085 ( 3.453 4.427 0.000) 5.614 3.152 ( 2.580 -0.609 0.000) 2.651 3.255 ( 0.396 1.985 0.000) 2.024 3.294 ( -5.962 -0.678 0.000) 6.001 3.587 ( -1.470 3.696 0.000) 3.977 3.611 ( -2.300 3.130 0.000) 3.884 3.683 ( 0.007 4.997 0.000) 4.997 3.849 ( 5.311 3.287 0.000) 6.246 3.902 ( -6.182 -4.289 0.000) 7.524 4.010 ( 2.453 0.247 0.000) 2.466 4.020 ( -0.393 0.060 0.000) 0.397 4.045 ( -3.779 -1.036 0.000) 3.919 4.298 ( 2.259 1.053 0.000) 2.492 4.446 ( -3.604 -18.832 0.000) 19.174 4.550 ( 2.892 -0.063 0.000) 2.893 4.906 ( 12.017 -3.771 0.000) 12.594 4.920 ( 11.193 6.761 0.000) 13.077 5.228 ( 12.658 -4.973 0.000) 13.599 6.697 ( 2.493 0.817 0.000) 2.623 6.823 ( 2.065 1.492 0.000) 2.547 6.906 ( 3.874 -1.916 0.000) 4.322 6.974 ( 3.340 -1.523 0.000) 3.670 7.199 ( 0.229 5.589 0.000) 5.594 7.319 ( -4.478 2.496 0.000) 5.127 7.375 ( -1.045 -4.088 0.000) 4.219 7.418 ( 0.521 -2.535 0.000) 2.588 7.473 ( 0.442 4.077 0.000) 4.101 7.608 ( -0.343 -2.917 0.000) 2.937 7.668 ( -2.294 0.248 0.000) 2.307 7.826 ( 4.481 0.837 0.000) 4.558 7.892 ( 5.051 -0.047 0.000) 5.051 8.037 ( 7.584 -1.083 0.000) 7.661 8.398 ( -5.771 -0.095 0.000) 5.772 8.606 ( -2.844 1.124 0.000) 3.058 8.649 ( -9.648 1.233 0.000) 9.727 8.856 ( -7.543 6.885 0.000) 10.213 9.275 ( -3.362 3.380 0.000) 4.768 9.472 ( -3.390 -1.295 0.000) 3.629 9.602 ( 1.852 0.758 0.000) 2.001 9.686 ( -2.404 -2.148 0.000) 3.224 ======================= Grid point 18 (12/147) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( -0.389 0.154 0.000) 0.419 2.571 ( 1.463 -0.878 0.000) 1.706 2.708 ( 8.003 2.431 0.000) 8.364 2.729 ( 0.441 5.122 0.000) 5.141 2.855 ( -2.339 -1.411 0.000) 2.732 2.907 ( -1.887 0.773 0.000) 2.039 3.009 ( 0.952 -0.291 0.000) 0.995 3.076 ( -1.831 2.230 0.000) 2.885 3.145 ( 6.173 -0.753 0.000) 6.219 3.153 ( -0.777 1.861 0.000) 2.017 3.196 ( -4.074 -0.968 0.000) 4.188 3.290 ( 1.545 -0.901 0.000) 1.788 3.487 ( -5.701 3.968 0.000) 6.946 3.540 ( -1.121 0.454 0.000) 1.209 3.707 ( 1.934 1.043 0.000) 2.197 3.833 ( -2.571 -2.564 0.000) 3.631 3.927 ( 3.426 2.114 0.000) 4.026 3.991 ( -1.533 0.851 0.000) 1.753 4.039 ( 1.290 -0.268 0.000) 1.318 4.043 ( 0.625 -0.657 0.000) 0.907 4.318 ( 0.307 0.422 0.000) 0.522 4.491 ( -1.322 -13.052 0.000) 13.119 4.581 ( 0.776 -4.773 0.000) 4.836 5.017 ( 4.877 13.531 0.000) 14.383 5.094 ( 5.442 -1.886 0.000) 5.759 5.474 ( 7.285 -5.025 0.000) 8.850 6.745 ( 2.430 2.027 0.000) 3.164 6.831 ( 0.166 2.110 0.000) 2.116 7.024 ( 5.833 -3.424 0.000) 6.764 7.029 ( 0.576 -2.739 0.000) 2.798 7.161 ( -1.757 2.567 0.000) 3.111 7.206 ( -5.633 1.301 0.000) 5.781 7.414 ( 2.121 -1.558 0.000) 2.632 7.457 ( 0.730 2.730 0.000) 2.826 7.489 ( 3.590 0.059 0.000) 3.590 7.582 ( -2.559 -1.801 0.000) 3.129 7.623 ( -1.007 -1.304 0.000) 1.648 7.874 ( 0.495 0.602 0.000) 0.779 8.024 ( 7.856 -0.112 0.000) 7.857 8.200 ( 8.227 -1.054 0.000) 8.294 8.236 ( -10.178 0.705 0.000) 10.202 8.445 ( -9.791 1.312 0.000) 9.879 8.522 ( -3.296 2.132 0.000) 3.926 8.722 ( -3.429 1.462 0.000) 3.728 9.206 ( -2.174 1.280 0.000) 2.522 9.421 ( -1.637 -0.373 0.000) 1.679 9.624 ( 0.552 0.405 0.000) 0.685 9.663 ( -0.552 -0.863 0.000) 1.024 ======================= Grid point 19 (13/147) ======================= q-point: (-0.54 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.441 ( -0.368 -0.425 0.000) 0.562 2.586 ( -1.670 0.026 0.000) 1.670 2.658 ( -4.597 -0.128 0.000) 4.598 2.680 ( -5.504 0.416 0.000) 5.520 2.875 ( -2.455 -2.124 0.000) 3.246 2.880 ( 1.504 0.754 0.000) 1.683 2.990 ( -4.299 -1.345 0.000) 4.505 3.048 ( 0.330 -0.531 0.000) 0.626 3.105 ( -3.343 -2.168 0.000) 3.985 3.140 ( -3.893 -0.830 0.000) 3.981 3.235 ( 3.794 1.741 0.000) 4.174 3.297 ( -1.162 -0.112 0.000) 1.168 3.402 ( -0.935 -2.800 0.000) 2.952 3.527 ( -0.981 -0.473 0.000) 1.089 3.695 ( -2.447 -0.172 0.000) 2.453 3.860 ( 3.963 -0.107 0.000) 3.964 3.936 ( -2.155 1.110 0.000) 2.424 3.965 ( -0.304 0.005 0.000) 0.304 4.047 ( -0.932 -0.537 0.000) 1.076 4.072 ( 3.409 2.645 0.000) 4.315 4.309 ( -1.144 -0.286 0.000) 1.179 4.542 ( 2.102 -1.565 0.000) 2.621 4.661 ( 2.006 -11.276 0.000) 11.454 4.977 ( 0.104 15.835 0.000) 15.835 5.141 ( -0.900 1.828 0.000) 2.038 5.531 ( -3.464 -0.118 0.000) 3.466 6.742 ( -1.612 2.171 0.000) 2.704 6.814 ( -0.847 0.693 0.000) 1.094 7.035 ( -1.509 -3.480 0.000) 3.793 7.079 ( -6.495 1.129 0.000) 6.593 7.108 ( -2.782 -0.887 0.000) 2.920 7.155 ( 5.174 -3.041 0.000) 6.001 7.410 ( -2.051 -1.146 0.000) 2.349 7.457 ( -0.623 1.864 0.000) 1.965 7.503 ( -0.676 1.423 0.000) 1.576 7.608 ( 4.386 0.454 0.000) 4.410 7.642 ( 0.448 -0.046 0.000) 0.450 7.860 ( -1.308 -0.485 0.000) 1.395 8.027 ( -9.324 0.124 0.000) 9.325 8.196 ( 8.607 -2.589 0.000) 8.988 8.233 ( -7.740 1.664 0.000) 7.917 8.404 ( 8.637 -2.030 0.000) 8.872 8.479 ( -0.644 -0.988 0.000) 1.180 8.699 ( 0.926 -0.458 0.000) 1.033 9.176 ( -0.867 -1.157 0.000) 1.446 9.428 ( 2.427 0.262 0.000) 2.442 9.617 ( -1.058 -0.273 0.000) 1.093 9.678 ( 1.703 0.350 0.000) 1.739 ======================= Grid point 20 (14/147) ======================= q-point: (-0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( -14.081 -1.371 0.000) 14.147 2.434 ( -1.140 -0.938 0.000) 1.477 2.537 ( -10.629 -4.792 0.000) 11.659 2.620 ( -1.442 3.951 0.000) 4.206 2.836 ( -4.090 -7.030 0.000) 8.134 2.886 ( -0.547 -0.846 0.000) 1.007 2.909 ( -3.838 -2.668 0.000) 4.674 3.009 ( -4.760 -2.560 0.000) 5.405 3.011 ( -7.758 1.202 0.000) 7.850 3.113 ( 1.215 -3.371 0.000) 3.583 3.241 ( -3.891 0.760 0.000) 3.964 3.304 ( 4.062 -0.307 0.000) 4.074 3.475 ( 4.086 -5.714 0.000) 7.024 3.503 ( -1.679 -2.072 0.000) 2.667 3.645 ( -2.358 -0.305 0.000) 2.378 3.844 ( -5.594 1.628 0.000) 5.826 3.956 ( 5.645 0.517 0.000) 5.668 3.976 ( -0.100 -1.453 0.000) 1.456 4.019 ( -1.861 -0.682 0.000) 1.982 4.147 ( 6.793 6.138 0.000) 9.156 4.275 ( -2.724 -0.659 0.000) 2.802 4.558 ( -2.548 0.790 0.000) 2.668 4.739 ( -0.962 -8.301 0.000) 8.356 4.874 ( 0.352 16.466 0.000) 16.470 5.018 ( -10.049 5.176 0.000) 11.303 5.334 ( -14.815 3.768 0.000) 15.287 6.689 ( -1.728 0.449 0.000) 1.785 6.799 ( -0.398 -0.267 0.000) 0.479 6.946 ( -5.990 1.169 0.000) 6.103 7.005 ( -2.503 0.708 0.000) 2.601 7.076 ( -1.620 -4.760 0.000) 5.028 7.259 ( 3.951 -2.575 0.000) 4.717 7.383 ( -1.786 -3.254 0.000) 3.712 7.450 ( 1.357 2.166 0.000) 2.556 7.480 ( 0.298 2.702 0.000) 2.719 7.655 ( 1.662 -1.001 0.000) 1.940 7.662 ( 0.760 1.782 0.000) 1.938 7.793 ( -6.404 -1.516 0.000) 6.581 7.901 ( -3.424 0.626 0.000) 3.481 8.072 ( -7.270 1.791 0.000) 7.487 8.381 ( 7.376 -2.909 0.000) 7.928 8.516 ( 2.797 -5.986 0.000) 6.607 8.605 ( 9.649 -2.460 0.000) 9.958 8.725 ( -0.061 -2.265 0.000) 2.266 9.186 ( 0.408 -3.712 0.000) 3.734 9.500 ( 4.590 0.938 0.000) 4.685 9.591 ( -1.713 -0.276 0.000) 1.735 9.724 ( 3.345 0.947 0.000) 3.477 ======================= Grid point 21 (15/147) ======================= q-point: (-0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( -18.236 1.076 0.000) 18.268 2.269 ( -18.801 -3.941 0.000) 19.210 2.387 ( -4.794 -0.066 0.000) 4.795 2.527 ( -6.111 2.413 0.000) 6.570 2.785 ( -5.825 -7.645 0.000) 9.611 2.808 ( -6.519 0.636 0.000) 6.550 2.852 ( -5.505 -3.388 0.000) 6.464 2.932 ( -4.337 -3.639 0.000) 5.661 2.935 ( 0.260 -1.030 0.000) 1.062 3.050 ( -8.409 -0.015 0.000) 8.409 3.240 ( 2.956 -1.764 0.000) 3.442 3.403 ( 4.896 -1.822 0.000) 5.224 3.503 ( -0.676 -6.071 0.000) 6.108 3.573 ( 1.203 -5.645 0.000) 5.772 3.613 ( -0.614 -0.039 0.000) 0.615 3.708 ( -7.291 1.664 0.000) 7.478 3.946 ( -3.397 0.092 0.000) 3.398 3.979 ( -3.190 -0.904 0.000) 3.315 4.073 ( 6.218 0.491 0.000) 6.237 4.208 ( -4.424 -1.048 0.000) 4.546 4.264 ( 6.148 6.647 0.000) 9.054 4.393 ( -10.501 3.395 0.000) 11.036 4.668 ( -10.825 1.928 0.000) 10.995 4.691 ( -18.808 5.470 0.000) 19.587 4.829 ( 3.290 9.128 0.000) 9.703 5.002 ( -12.956 1.274 0.000) 13.019 6.690 ( 1.940 1.197 0.000) 2.279 6.798 ( -0.141 -0.041 0.000) 0.147 6.844 ( -3.618 0.720 0.000) 3.689 6.936 ( -3.674 1.099 0.000) 3.834 7.113 ( 2.861 -4.410 0.000) 5.257 7.360 ( 5.204 -2.984 0.000) 5.999 7.362 ( -2.932 -4.210 0.000) 5.131 7.484 ( 3.075 2.204 0.000) 3.783 7.498 ( 2.577 2.444 0.000) 3.552 7.606 ( -5.268 2.191 0.000) 5.706 7.644 ( -5.805 0.423 0.000) 5.820 7.736 ( 1.264 -2.861 0.000) 3.127 7.856 ( 0.417 0.802 0.000) 0.904 7.920 ( -7.294 1.704 0.000) 7.490 8.469 ( 1.016 0.248 0.000) 1.046 8.623 ( 0.104 -0.712 0.000) 0.720 8.748 ( 1.903 -14.946 0.000) 15.067 8.799 ( 8.558 -1.983 0.000) 8.785 9.227 ( 0.645 -6.017 0.000) 6.052 9.556 ( -1.766 -0.181 0.000) 1.776 9.578 ( 4.006 2.192 0.000) 4.567 9.797 ( 4.765 1.730 0.000) 5.069 ======================= Grid point 22 (16/147) ======================= q-point: (-0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( -21.016 4.347 0.000) 21.460 1.859 ( -23.864 -0.531 0.000) 23.870 2.194 ( -13.501 4.797 0.000) 14.328 2.400 ( -5.522 -0.975 0.000) 5.607 2.656 ( -10.905 -1.634 0.000) 11.027 2.710 ( -10.917 -4.734 0.000) 11.899 2.721 ( -2.046 -0.357 0.000) 2.077 2.840 ( -9.841 1.663 0.000) 9.981 2.889 ( -5.176 -1.904 0.000) 5.515 2.949 ( -0.657 -2.034 0.000) 2.137 3.273 ( -0.449 1.064 0.000) 1.155 3.481 ( -0.006 -3.135 0.000) 3.135 3.499 ( -12.216 2.094 0.000) 12.394 3.529 ( -5.859 -9.291 0.000) 10.984 3.555 ( -5.187 -2.899 0.000) 5.942 3.620 ( 0.671 0.371 0.000) 0.767 3.825 ( -9.879 0.356 0.000) 9.885 3.910 ( -3.762 1.130 0.000) 3.928 3.985 ( -13.466 7.154 0.000) 15.248 4.056 ( -10.792 3.268 0.000) 11.277 4.177 ( -1.405 -1.568 0.000) 2.106 4.345 ( -5.954 -0.014 0.000) 5.954 4.371 ( -3.347 -0.667 0.000) 3.413 4.560 ( 7.412 -0.068 0.000) 7.412 4.817 ( -5.872 2.201 0.000) 6.271 4.880 ( 4.093 3.577 0.000) 5.436 6.727 ( 2.120 2.210 0.000) 3.062 6.783 ( -2.172 -1.888 0.000) 2.878 6.795 ( -0.655 1.959 0.000) 2.066 6.858 ( -3.740 0.069 0.000) 3.740 7.186 ( -3.172 -1.684 0.000) 3.591 7.332 ( 1.650 -2.855 0.000) 3.298 7.401 ( -10.670 2.792 0.000) 11.030 7.484 ( -4.318 -1.928 0.000) 4.729 7.513 ( 1.754 -1.833 0.000) 2.537 7.520 ( 0.153 0.000 0.000) 0.153 7.571 ( 4.152 0.563 0.000) 4.190 7.777 ( -5.956 0.709 0.000) 5.998 7.779 ( 4.087 0.406 0.000) 4.107 7.944 ( 7.067 -0.049 0.000) 7.067 8.429 ( -4.973 0.713 0.000) 5.024 8.521 ( -7.672 -0.611 0.000) 7.697 8.947 ( 6.425 -15.494 0.000) 16.773 8.961 ( 6.990 -0.902 0.000) 7.048 9.265 ( -0.847 -6.788 0.000) 6.840 9.532 ( -0.567 -0.196 0.000) 0.600 9.633 ( 3.529 3.907 0.000) 5.265 9.891 ( 6.052 2.461 0.000) 6.534 ======================= Grid point 23 (17/147) ======================= q-point: (-0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( -22.526 8.518 0.000) 24.083 1.347 ( -26.245 5.565 0.000) 26.828 1.854 ( -15.337 10.140 0.000) 18.386 2.286 ( -8.306 -0.225 0.000) 8.309 2.306 ( -28.511 9.589 0.000) 30.081 2.466 ( -16.870 4.717 0.000) 17.517 2.541 ( -10.906 -2.275 0.000) 11.141 2.717 ( 0.181 -3.377 0.000) 3.382 2.847 ( -1.021 -1.183 0.000) 1.562 2.899 ( -5.799 -1.464 0.000) 5.981 3.058 ( -23.525 0.273 0.000) 23.527 3.231 ( -3.510 -0.564 0.000) 3.555 3.320 ( -15.571 -6.289 0.000) 16.793 3.437 ( -7.996 -1.830 0.000) 8.203 3.486 ( -3.717 -2.748 0.000) 4.622 3.635 ( 0.109 -0.288 0.000) 0.308 3.694 ( -1.173 -1.254 0.000) 1.717 3.818 ( -3.416 -0.849 0.000) 3.520 3.827 ( -3.750 8.851 0.000) 9.612 3.896 ( -0.049 1.093 0.000) 1.094 4.149 ( -0.985 -2.327 0.000) 2.527 4.250 ( -5.169 -8.513 0.000) 9.959 4.490 ( 7.548 -5.254 0.000) 9.197 4.649 ( -1.917 4.155 0.000) 4.576 4.794 ( 7.190 3.634 0.000) 8.056 4.967 ( 5.454 -1.699 0.000) 5.713 6.683 ( -11.614 -1.609 0.000) 11.725 6.738 ( -3.860 -2.063 0.000) 4.376 6.776 ( -1.196 -1.285 0.000) 1.755 6.792 ( -2.739 0.128 0.000) 2.742 6.936 ( -11.530 5.505 0.000) 12.777 7.216 ( -7.123 0.648 0.000) 7.152 7.272 ( -13.231 -3.166 0.000) 13.605 7.485 ( 8.523 -2.483 0.000) 8.877 7.528 ( 1.647 0.618 0.000) 1.759 7.647 ( 2.366 1.021 0.000) 2.577 7.670 ( 5.980 -7.999 0.000) 9.988 7.691 ( -1.344 0.199 0.000) 1.359 7.889 ( 5.942 -0.343 0.000) 5.952 8.078 ( 6.282 2.699 0.000) 6.837 8.273 ( -9.222 1.253 0.000) 9.306 8.378 ( -6.688 -0.265 0.000) 6.693 9.082 ( 4.958 -0.124 0.000) 4.960 9.142 ( 5.543 -10.087 0.000) 11.510 9.269 ( -1.821 -4.774 0.000) 5.109 9.537 ( 0.829 -0.308 0.000) 0.885 9.681 ( 3.777 4.438 0.000) 5.828 10.009 ( 7.358 2.630 0.000) 7.814 ======================= Grid point 24 (18/147) ======================= q-point: (-0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( -21.073 15.062 0.000) 25.902 0.785 ( -23.091 16.536 0.000) 28.401 1.436 ( -43.085 27.576 0.000) 51.154 1.516 ( -10.639 14.345 0.000) 17.860 2.010 ( -16.631 5.155 0.000) 17.412 2.144 ( -12.615 2.676 0.000) 12.896 2.427 ( -3.917 -6.259 0.000) 7.383 2.684 ( -14.829 -2.067 0.000) 14.972 2.744 ( -1.779 -8.115 0.000) 8.307 2.831 ( 1.352 -1.947 0.000) 2.370 2.869 ( 3.177 0.260 0.000) 3.187 3.100 ( -10.641 -7.258 0.000) 12.881 3.132 ( -7.999 -3.126 0.000) 8.588 3.309 ( -2.668 5.264 0.000) 5.901 3.431 ( -2.526 -2.301 0.000) 3.417 3.637 ( 0.258 -0.622 0.000) 0.673 3.717 ( 1.271 -1.569 0.000) 2.019 3.773 ( -2.177 -1.842 0.000) 2.852 3.777 ( 1.787 9.151 0.000) 9.323 3.902 ( 0.832 1.089 0.000) 1.371 4.154 ( 0.056 -1.368 0.000) 1.370 4.249 ( -1.201 -13.841 0.000) 13.893 4.599 ( 0.582 3.131 0.000) 3.184 4.658 ( 5.299 -6.726 0.000) 8.562 4.863 ( 4.129 12.716 0.000) 13.369 5.111 ( 5.213 -7.469 0.000) 9.109 6.267 ( -22.608 0.384 0.000) 22.612 6.614 ( -16.519 -12.481 0.000) 20.704 6.742 ( -2.475 -2.182 0.000) 3.300 6.753 ( -4.054 -7.170 0.000) 8.237 6.853 ( 1.079 3.853 0.000) 4.001 7.037 ( -11.477 -4.376 0.000) 12.283 7.090 ( -4.417 3.617 0.000) 5.708 7.583 ( 3.660 0.227 0.000) 3.667 7.597 ( -0.406 -1.725 0.000) 1.772 7.672 ( 4.664 0.332 0.000) 4.675 7.728 ( 2.262 0.593 0.000) 2.338 7.819 ( 3.725 -9.232 0.000) 9.955 7.985 ( 2.721 -1.811 0.000) 3.268 8.087 ( -5.452 1.155 0.000) 5.573 8.134 ( -1.596 2.809 0.000) 3.230 8.287 ( -0.996 4.372 0.000) 4.484 9.151 ( 1.844 -0.073 0.000) 1.846 9.267 ( -0.220 -2.146 0.000) 2.157 9.285 ( 5.851 -2.389 0.000) 6.320 9.559 ( 0.979 -0.300 0.000) 1.024 9.721 ( 2.509 3.842 0.000) 4.588 10.142 ( 7.439 2.686 0.000) 7.909 ======================= Grid point 25 (19/147) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.314 ( -0.000 26.590 0.000) 26.590 0.404 ( -0.000 34.701 0.000) 34.701 0.553 ( -0.000 47.443 0.000) 47.443 1.318 ( -0.000 13.440 0.000) 13.440 1.770 ( -0.000 4.980 0.000) 4.980 1.996 ( -0.000 1.453 0.000) 1.453 2.443 ( 0.000 -6.393 0.000) 6.393 2.518 ( 0.000 -0.401 0.000) 0.401 2.761 ( 0.000 -5.134 0.000) 5.134 2.917 ( 0.000 -2.228 0.000) 2.228 2.975 ( 0.000 -1.679 0.000) 1.679 2.990 ( -0.000 0.237 0.000) 0.237 2.993 ( 0.000 -7.248 0.000) 7.248 3.274 ( -0.000 3.440 0.000) 3.440 3.418 ( 0.000 -1.354 0.000) 1.354 3.649 ( 0.000 -1.531 0.000) 1.531 3.736 ( 0.000 -0.573 0.000) 0.573 3.750 ( -0.000 7.903 0.000) 7.903 3.758 ( 0.000 -1.435 0.000) 1.435 3.905 ( -0.000 1.184 0.000) 1.184 4.160 ( 0.000 -0.370 0.000) 0.370 4.352 ( 0.000 -14.960 0.000) 14.960 4.675 ( 0.000 -0.267 0.000) 0.267 4.752 ( 0.000 -5.918 0.000) 5.918 4.860 ( -0.000 11.370 0.000) 11.370 5.213 ( 0.000 -5.648 0.000) 5.648 5.983 ( -0.000 1.231 0.000) 1.231 6.007 ( -0.000 1.094 0.000) 1.094 6.725 ( 0.000 -2.743 0.000) 2.743 6.731 ( 0.000 -2.430 0.000) 2.430 6.859 ( -0.000 1.201 0.000) 1.201 6.942 ( -0.000 0.435 0.000) 0.435 7.012 ( -0.000 5.191 0.000) 5.191 7.590 ( 0.000 -0.495 0.000) 0.495 7.627 ( 0.000 -0.722 0.000) 0.722 7.730 ( 0.000 -0.585 0.000) 0.585 7.747 ( -0.000 0.593 0.000) 0.593 7.912 ( 0.000 -5.490 0.000) 5.490 8.018 ( -0.000 0.409 0.000) 0.409 8.046 ( 0.000 -2.531 0.000) 2.531 8.072 ( -0.000 0.379 0.000) 0.379 8.247 ( -0.000 7.267 0.000) 7.267 9.166 ( 0.000 -0.133 0.000) 0.133 9.277 ( 0.000 -1.043 0.000) 1.043 9.408 ( 0.000 -1.997 0.000) 1.997 9.572 ( 0.000 -0.168 0.000) 0.168 9.728 ( -0.000 2.799 0.000) 2.799 10.259 ( 0.000 -0.865 0.000) 0.865 ======================= Grid point 28 (20/147) ======================= q-point: ( 0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( 21.290 0.000 0.000) 21.290 2.380 ( 19.894 0.000 0.000) 19.894 2.387 ( 7.721 0.000 0.000) 7.721 2.482 ( 2.465 0.000 0.000) 2.465 2.772 ( 7.804 0.000 0.000) 7.804 2.836 ( 9.437 0.000 0.000) 9.437 2.959 ( 5.049 0.000 0.000) 5.049 2.971 ( -1.520 -0.000 0.000) 1.520 3.037 ( 8.003 0.000 0.000) 8.003 3.044 ( 3.870 0.000 0.000) 3.870 3.275 ( 1.103 0.000 0.000) 1.103 3.411 ( -6.229 -0.000 0.000) 6.229 3.586 ( 3.266 0.000 0.000) 3.266 3.614 ( 0.612 0.000 0.000) 0.612 3.749 ( 3.864 0.000 0.000) 3.864 3.816 ( 4.162 0.000 0.000) 4.162 3.954 ( 3.033 0.000 0.000) 3.033 3.991 ( 3.636 0.000 0.000) 3.636 4.018 ( -9.044 -0.000 0.000) 9.044 4.225 ( -3.741 -0.000 0.000) 3.741 4.255 ( 3.137 0.000 0.000) 3.137 4.272 ( 19.133 0.000 0.000) 19.133 4.369 ( -9.357 -0.000 0.000) 9.357 4.577 ( 16.483 0.000 0.000) 16.483 4.771 ( 3.319 0.000 0.000) 3.319 4.979 ( 10.682 0.000 0.000) 10.682 6.669 ( 0.573 0.000 0.000) 0.573 6.767 ( 2.362 0.000 0.000) 2.362 6.858 ( 1.662 0.000 0.000) 1.662 6.901 ( 2.369 0.000 0.000) 2.369 7.255 ( 0.582 0.000 0.000) 0.582 7.375 ( -3.208 -0.000 0.000) 3.208 7.396 ( -3.476 -0.000 0.000) 3.476 7.499 ( -8.033 -0.000 0.000) 8.033 7.510 ( 1.002 0.000 0.000) 1.002 7.514 ( 5.629 0.000 0.000) 5.629 7.634 ( 5.688 0.000 0.000) 5.688 7.740 ( 4.395 0.000 0.000) 4.395 7.871 ( -2.831 -0.000 0.000) 2.831 7.886 ( 6.675 0.000 0.000) 6.675 8.462 ( -0.786 -0.000 0.000) 0.786 8.615 ( 2.108 0.000 0.000) 2.108 8.832 ( -7.862 -0.000 0.000) 7.862 9.115 ( -8.306 -0.000 0.000) 8.306 9.408 ( -5.360 -0.000 0.000) 5.360 9.485 ( 0.465 0.000 0.000) 0.465 9.572 ( 2.012 0.000 0.000) 2.012 9.713 ( -3.733 -0.000 0.000) 3.733 ======================= Grid point 29 (21/147) ======================= q-point: ( 0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( 6.518 0.123 0.000) 6.519 2.458 ( 11.534 0.377 0.000) 11.540 2.524 ( 1.781 -0.829 0.000) 1.964 2.675 ( 10.585 1.360 0.000) 10.672 2.923 ( -2.976 0.695 0.000) 3.056 2.970 ( 3.516 0.018 0.000) 3.516 2.972 ( 9.803 -0.664 0.000) 9.826 2.986 ( -1.310 1.385 0.000) 1.906 3.125 ( 3.248 2.231 0.000) 3.940 3.141 ( 4.297 -1.055 0.000) 4.425 3.275 ( -0.853 1.055 0.000) 1.356 3.288 ( -6.046 -0.281 0.000) 6.052 3.616 ( -1.560 1.150 0.000) 1.938 3.627 ( 0.005 0.452 0.000) 0.452 3.755 ( -1.967 6.208 0.000) 6.512 3.845 ( -7.060 -5.290 0.000) 8.821 3.892 ( 4.897 2.723 0.000) 5.603 4.003 ( 1.360 -0.671 0.000) 1.516 4.013 ( -1.318 -0.454 0.000) 1.394 4.092 ( -2.770 8.744 0.000) 9.172 4.241 ( -3.790 -16.089 0.000) 16.529 4.307 ( 1.951 0.439 0.000) 2.000 4.550 ( 3.372 0.048 0.000) 3.372 4.875 ( 12.534 -1.399 0.000) 12.612 4.983 ( 16.483 3.475 0.000) 16.845 5.179 ( 9.082 -2.888 0.000) 9.531 6.705 ( 3.085 0.414 0.000) 3.113 6.839 ( 4.326 1.013 0.000) 4.444 6.887 ( 1.500 -1.153 0.000) 1.892 6.960 ( 3.107 -0.657 0.000) 3.175 7.262 ( -1.165 5.267 0.000) 5.394 7.324 ( 0.196 -4.750 0.000) 4.754 7.345 ( -6.001 1.735 0.000) 6.246 7.392 ( 1.821 -1.738 0.000) 2.517 7.518 ( 0.182 3.283 0.000) 3.288 7.573 ( -0.293 -2.851 0.000) 2.866 7.670 ( -2.196 0.069 0.000) 2.197 7.831 ( 4.191 0.180 0.000) 4.195 7.892 ( 5.235 0.091 0.000) 5.236 8.028 ( 7.665 -0.384 0.000) 7.675 8.396 ( -5.667 -0.067 0.000) 5.667 8.613 ( -2.094 0.214 0.000) 2.105 8.659 ( -9.598 0.414 0.000) 9.606 8.915 ( -10.161 2.827 0.000) 10.547 9.304 ( -4.558 1.422 0.000) 4.774 9.460 ( -2.689 -0.651 0.000) 2.767 9.611 ( 1.922 0.653 0.000) 2.030 9.664 ( -1.877 -1.301 0.000) 2.284 ======================= Grid point 30 (22/147) ======================= q-point: ( 0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.449 ( -0.544 0.036 0.000) 0.545 2.563 ( 2.121 -0.502 0.000) 2.180 2.736 ( 9.727 2.279 0.000) 9.990 2.785 ( 1.511 4.085 0.000) 4.355 2.838 ( -4.317 -1.441 0.000) 4.551 2.912 ( -4.674 0.006 0.000) 4.674 3.004 ( 0.544 -0.356 0.000) 0.650 3.102 ( -3.619 1.905 0.000) 4.090 3.134 ( 5.464 -0.970 0.000) 5.549 3.170 ( -2.749 1.125 0.000) 2.970 3.190 ( -3.173 -0.163 0.000) 3.177 3.279 ( 1.802 -0.858 0.000) 1.996 3.526 ( -7.798 2.680 0.000) 8.246 3.544 ( -2.583 0.181 0.000) 2.590 3.724 ( 0.987 2.005 0.000) 2.235 3.797 ( -1.032 -3.387 0.000) 3.541 3.946 ( -0.386 0.420 0.000) 0.570 4.017 ( 4.446 3.394 0.000) 5.593 4.033 ( 1.139 -0.668 0.000) 1.320 4.051 ( -0.266 3.081 0.000) 3.093 4.310 ( 1.492 -15.564 0.000) 15.635 4.322 ( -0.086 0.264 0.000) 0.277 4.566 ( 0.214 -0.101 0.000) 0.236 5.077 ( 7.065 -1.104 0.000) 7.150 5.167 ( 6.443 12.208 0.000) 13.804 5.401 ( 8.572 -7.520 0.000) 11.403 6.772 ( 3.781 2.299 0.000) 4.425 6.861 ( -0.143 2.800 0.000) 2.804 6.983 ( 5.613 -3.565 0.000) 6.649 6.996 ( -1.118 -2.677 0.000) 2.901 7.184 ( -3.778 1.478 0.000) 4.056 7.217 ( -6.109 0.602 0.000) 6.139 7.400 ( 3.688 -0.924 0.000) 3.802 7.490 ( -0.254 2.916 0.000) 2.927 7.491 ( 5.951 0.195 0.000) 5.955 7.558 ( -1.663 -2.341 0.000) 2.872 7.609 ( -2.696 -0.913 0.000) 2.846 7.880 ( 0.513 0.341 0.000) 0.616 8.023 ( 7.236 -0.044 0.000) 7.237 8.191 ( 8.470 -0.555 0.000) 8.489 8.240 ( -10.086 0.173 0.000) 10.088 8.456 ( -10.190 0.686 0.000) 10.213 8.542 ( -4.021 1.194 0.000) 4.195 8.738 ( -5.371 1.200 0.000) 5.504 9.218 ( -3.377 0.791 0.000) 3.469 9.417 ( -1.234 -0.255 0.000) 1.260 9.629 ( -0.166 0.447 0.000) 0.477 9.653 ( 0.528 -0.801 0.000) 0.959 ======================= Grid point 31 (23/147) ======================= q-point: (-0.62 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( -0.771 -0.364 0.000) 0.852 2.584 ( -3.199 -0.357 0.000) 3.219 2.673 ( -8.311 2.459 0.000) 8.667 2.691 ( -3.481 1.205 0.000) 3.684 2.845 ( -4.071 -2.883 0.000) 4.988 2.886 ( 1.654 0.402 0.000) 1.702 2.982 ( -4.525 0.018 0.000) 4.525 3.038 ( -1.381 -1.335 0.000) 1.921 3.081 ( -4.466 -1.813 0.000) 4.820 3.130 ( -2.835 -0.828 0.000) 2.953 3.251 ( 5.055 0.963 0.000) 5.146 3.296 ( -0.707 -0.060 0.000) 0.710 3.377 ( -5.097 -1.424 0.000) 5.292 3.523 ( -0.800 -0.188 0.000) 0.821 3.694 ( -2.636 0.004 0.000) 2.636 3.854 ( 4.461 -0.662 0.000) 4.510 3.922 ( -1.914 -2.062 0.000) 2.813 3.993 ( -2.249 2.990 0.000) 3.742 4.039 ( -1.292 -0.642 0.000) 1.442 4.116 ( 6.783 5.375 0.000) 8.654 4.307 ( -1.358 -0.139 0.000) 1.366 4.465 ( 5.413 -11.427 0.000) 12.645 4.587 ( 1.229 -1.439 0.000) 1.892 5.151 ( 0.152 13.518 0.000) 13.519 5.159 ( 0.935 1.180 0.000) 1.505 5.515 ( -1.044 -2.588 0.000) 2.791 6.780 ( -1.983 4.325 0.000) 4.758 6.829 ( -1.397 1.677 0.000) 2.183 6.980 ( -1.215 -5.597 0.000) 5.727 7.080 ( -4.943 -1.347 0.000) 5.123 7.102 ( -4.210 -0.358 0.000) 4.225 7.125 ( 3.742 -1.628 0.000) 4.081 7.401 ( -2.613 -0.442 0.000) 2.650 7.477 ( -0.649 1.449 0.000) 1.588 7.523 ( -0.635 1.990 0.000) 2.089 7.610 ( 5.328 0.016 0.000) 5.328 7.635 ( 1.819 -1.121 0.000) 2.137 7.856 ( -2.065 -0.166 0.000) 2.072 8.028 ( -9.787 0.053 0.000) 9.787 8.167 ( 6.587 -2.295 0.000) 6.975 8.252 ( -7.953 1.557 0.000) 8.104 8.381 ( 8.469 -1.834 0.000) 8.666 8.473 ( -2.083 -0.137 0.000) 2.088 8.696 ( 0.567 -0.146 0.000) 0.586 9.164 ( -2.035 -0.749 0.000) 2.169 9.431 ( 2.672 0.155 0.000) 2.677 9.614 ( -1.106 -0.187 0.000) 1.121 9.681 ( 1.915 0.130 0.000) 1.920 ======================= Grid point 32 (24/147) ======================= q-point: (-0.54 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( -13.218 -1.100 0.000) 13.264 2.423 ( -1.148 -0.894 0.000) 1.455 2.488 ( -11.259 -3.565 0.000) 11.810 2.664 ( -1.360 3.498 0.000) 3.753 2.759 ( -6.764 -5.933 0.000) 8.997 2.878 ( -1.607 -0.613 0.000) 1.720 2.884 ( -4.450 -1.516 0.000) 4.701 2.976 ( -4.918 -2.987 0.000) 5.754 3.025 ( -7.014 1.208 0.000) 7.118 3.074 ( -0.403 -3.294 0.000) 3.318 3.254 ( -2.688 1.376 0.000) 3.020 3.292 ( 1.366 -1.852 0.000) 2.301 3.424 ( 5.345 -2.979 0.000) 6.119 3.490 ( -2.379 -0.301 0.000) 2.398 3.643 ( -2.313 -0.100 0.000) 2.315 3.861 ( -4.843 0.993 0.000) 4.943 3.955 ( 5.289 -0.511 0.000) 5.314 3.964 ( -0.221 -0.548 0.000) 0.591 4.008 ( -2.116 -1.166 0.000) 2.416 4.225 ( 8.122 7.414 0.000) 10.997 4.270 ( -2.589 -0.211 0.000) 2.598 4.568 ( -2.035 0.888 0.000) 2.220 4.638 ( 2.656 -8.972 0.000) 9.357 5.045 ( -2.251 12.787 0.000) 12.983 5.073 ( -8.904 4.137 0.000) 9.818 5.370 ( -13.598 2.407 0.000) 13.810 6.700 ( -2.323 1.247 0.000) 2.636 6.802 ( -0.376 0.739 0.000) 0.830 6.954 ( -6.276 0.163 0.000) 6.278 7.006 ( 0.243 -0.792 0.000) 0.829 7.028 ( -3.237 -3.167 0.000) 4.528 7.231 ( 4.252 -2.344 0.000) 4.855 7.351 ( -2.816 -2.206 0.000) 3.578 7.470 ( 1.014 1.310 0.000) 1.657 7.510 ( 0.856 2.416 0.000) 2.563 7.642 ( 0.273 -1.225 0.000) 1.255 7.679 ( 1.100 1.205 0.000) 1.632 7.779 ( -6.751 -0.949 0.000) 6.817 7.909 ( -2.459 0.757 0.000) 2.573 8.092 ( -7.130 1.605 0.000) 7.309 8.320 ( 6.464 -7.195 0.000) 9.672 8.469 ( 0.729 -2.000 0.000) 2.129 8.576 ( 9.493 -2.372 0.000) 9.785 8.712 ( -0.304 -0.332 0.000) 0.451 9.148 ( -0.674 -2.734 0.000) 2.816 9.509 ( 4.932 0.611 0.000) 4.970 9.588 ( -1.611 -0.145 0.000) 1.618 9.731 ( 3.419 0.343 0.000) 3.436 ======================= Grid point 33 (25/147) ======================= q-point: (-0.46 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( -16.468 1.026 0.000) 16.500 2.234 ( -16.376 -1.872 0.000) 16.482 2.386 ( -3.469 -0.059 0.000) 3.469 2.556 ( -7.271 2.621 0.000) 7.729 2.681 ( -5.789 -9.673 0.000) 11.273 2.808 ( -6.341 -0.629 0.000) 6.373 2.816 ( -5.181 -2.964 0.000) 5.969 2.889 ( -5.611 -3.675 0.000) 6.707 2.926 ( -1.506 -0.701 0.000) 1.661 3.034 ( -6.355 -3.233 0.000) 7.131 3.229 ( 2.033 0.492 0.000) 2.092 3.371 ( 4.384 -3.335 0.000) 5.508 3.452 ( -2.246 -2.633 0.000) 3.461 3.525 ( 2.173 -2.740 0.000) 3.498 3.613 ( -0.423 -0.010 0.000) 0.423 3.736 ( -6.849 2.713 0.000) 7.367 3.946 ( -2.513 -0.082 0.000) 2.514 3.967 ( -2.885 -1.176 0.000) 3.116 4.068 ( 5.650 -1.084 0.000) 5.754 4.203 ( -4.214 0.159 0.000) 4.217 4.342 ( 4.222 6.727 0.000) 7.942 4.429 ( -6.431 2.881 0.000) 7.047 4.667 ( -6.929 -1.211 0.000) 7.034 4.755 ( -19.492 5.419 0.000) 20.231 4.940 ( -1.914 8.773 0.000) 8.980 5.022 ( -15.192 2.271 0.000) 15.361 6.705 ( 2.976 1.414 0.000) 3.295 6.795 ( -0.931 -0.116 0.000) 0.939 6.854 ( -3.058 0.678 0.000) 3.132 6.940 ( -4.504 -0.478 0.000) 4.529 7.073 ( 3.891 -2.394 0.000) 4.568 7.316 ( -2.625 -3.671 0.000) 4.513 7.326 ( 4.392 -2.748 0.000) 5.181 7.502 ( 2.807 0.966 0.000) 2.968 7.531 ( 2.401 3.095 0.000) 3.917 7.629 ( -5.295 1.909 0.000) 5.629 7.647 ( -6.054 -0.016 0.000) 6.054 7.697 ( 2.991 -3.434 0.000) 4.554 7.868 ( -0.362 1.341 0.000) 1.389 7.940 ( -7.633 1.726 0.000) 7.826 8.470 ( 1.962 -0.457 0.000) 2.015 8.538 ( 5.454 -13.308 0.000) 14.382 8.658 ( -5.665 -0.662 0.000) 5.704 8.773 ( 8.868 -2.443 0.000) 9.199 9.165 ( 0.033 -4.638 0.000) 4.638 9.555 ( -1.678 -0.029 0.000) 1.678 9.600 ( 4.642 1.511 0.000) 4.882 9.810 ( 4.794 0.635 0.000) 4.836 ======================= Grid point 34 (26/147) ======================= q-point: (-0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( -18.469 4.802 0.000) 19.083 1.875 ( -19.201 3.658 0.000) 19.547 2.252 ( -9.504 5.026 0.000) 10.751 2.390 ( -7.541 -0.558 0.000) 7.562 2.601 ( -8.621 -7.042 0.000) 11.131 2.667 ( -11.173 -3.365 0.000) 11.669 2.709 ( -3.488 -1.692 0.000) 3.877 2.818 ( -4.959 -4.078 0.000) 6.420 2.897 ( -6.922 1.374 0.000) 7.057 2.921 ( -1.164 -2.962 0.000) 3.182 3.282 ( 0.680 0.227 0.000) 0.717 3.420 ( -3.838 -7.729 0.000) 8.629 3.441 ( -1.759 -3.440 0.000) 3.864 3.526 ( -3.064 -2.206 0.000) 3.776 3.535 ( -13.370 3.264 0.000) 13.762 3.623 ( 0.724 0.161 0.000) 0.742 3.834 ( -8.313 1.302 0.000) 8.415 3.920 ( -2.241 0.572 0.000) 2.312 4.084 ( -15.632 8.830 0.000) 17.954 4.093 ( -7.292 2.990 0.000) 7.882 4.157 ( -0.874 -1.801 0.000) 2.002 4.329 ( -14.807 -1.850 0.000) 14.922 4.373 ( -9.006 1.107 0.000) 9.073 4.575 ( 9.611 2.141 0.000) 9.846 4.841 ( -6.093 1.813 0.000) 6.357 4.917 ( 2.624 2.662 0.000) 3.738 6.751 ( 1.308 1.891 0.000) 2.299 6.759 ( -2.614 -1.884 0.000) 3.222 6.816 ( -1.395 1.331 0.000) 1.928 6.855 ( -4.170 -0.662 0.000) 4.222 7.166 ( 0.161 -1.755 0.000) 1.763 7.305 ( 2.766 -1.629 0.000) 3.211 7.432 ( -12.330 2.639 0.000) 12.609 7.436 ( 3.639 -4.842 0.000) 6.057 7.498 ( -8.433 -0.414 0.000) 8.443 7.546 ( -0.608 2.606 0.000) 2.676 7.574 ( 3.999 -0.069 0.000) 4.000 7.771 ( 3.997 -1.582 0.000) 4.299 7.786 ( -6.420 0.816 0.000) 6.472 7.948 ( 8.485 0.714 0.000) 8.515 8.437 ( -4.415 0.696 0.000) 4.469 8.512 ( -8.677 -0.995 0.000) 8.734 8.772 ( 8.719 -14.313 0.000) 16.760 8.947 ( 7.538 -1.462 0.000) 7.678 9.194 ( -0.283 -5.493 0.000) 5.501 9.531 ( -0.599 -0.054 0.000) 0.602 9.672 ( 4.145 2.970 0.000) 5.099 9.911 ( 5.936 1.055 0.000) 6.029 ======================= Grid point 35 (27/147) ======================= q-point: (-0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( -18.758 10.081 0.000) 21.295 1.451 ( -18.634 12.454 0.000) 22.413 1.984 ( -11.366 11.931 0.000) 16.479 2.272 ( -6.544 -2.491 0.000) 7.002 2.380 ( -17.242 3.049 0.000) 17.509 2.447 ( -12.359 -4.205 0.000) 13.054 2.600 ( -16.225 7.469 0.000) 17.862 2.677 ( -2.118 -3.319 0.000) 3.937 2.831 ( -0.627 -1.406 0.000) 1.539 2.879 ( -5.440 -2.075 0.000) 5.822 3.070 ( -24.970 1.737 0.000) 25.031 3.223 ( -7.856 -0.322 0.000) 7.862 3.247 ( -17.858 -5.975 0.000) 18.831 3.406 ( -2.582 -3.398 0.000) 4.267 3.459 ( -4.234 -2.163 0.000) 4.755 3.631 ( -0.144 -0.369 0.000) 0.396 3.684 ( -3.392 -0.328 0.000) 3.408 3.823 ( -5.216 1.910 0.000) 5.554 3.909 ( -0.734 0.943 0.000) 1.195 3.924 ( -2.214 7.786 0.000) 8.095 4.116 ( -1.566 -3.349 0.000) 3.697 4.151 ( -7.357 -8.203 0.000) 11.019 4.433 ( 6.289 -4.322 0.000) 7.631 4.705 ( -3.330 4.833 0.000) 5.869 4.787 ( 8.122 -4.399 0.000) 9.237 4.974 ( 4.158 2.761 0.000) 4.992 6.667 ( -12.799 -1.245 0.000) 12.859 6.712 ( -4.436 -2.300 0.000) 4.996 6.756 ( -5.153 -2.267 0.000) 5.630 6.782 ( -4.287 -1.514 0.000) 4.546 7.007 ( -9.321 6.353 0.000) 11.280 7.223 ( -5.776 0.590 0.000) 5.806 7.239 ( -15.290 -2.469 0.000) 15.488 7.458 ( 8.258 -1.850 0.000) 8.463 7.526 ( 1.725 -1.630 0.000) 2.373 7.589 ( 4.411 -5.227 0.000) 6.840 7.657 ( 3.600 0.573 0.000) 3.646 7.693 ( -2.121 0.195 0.000) 2.130 7.876 ( 4.908 -1.685 0.000) 5.189 8.114 ( 7.471 3.448 0.000) 8.228 8.291 ( -8.309 1.936 0.000) 8.532 8.374 ( -5.348 -0.558 0.000) 5.377 9.023 ( 9.194 -10.229 0.000) 13.754 9.080 ( 5.288 -0.242 0.000) 5.294 9.215 ( -0.379 -4.535 0.000) 4.550 9.534 ( 0.753 -0.264 0.000) 0.798 9.732 ( 4.009 4.320 0.000) 5.894 10.032 ( 6.950 1.335 0.000) 7.077 ======================= Grid point 36 (28/147) ======================= q-point: (-0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( -15.143 17.354 0.000) 23.032 1.034 ( -10.904 25.343 0.000) 27.589 1.708 ( -7.027 17.958 0.000) 19.284 1.768 ( -32.576 28.353 0.000) 43.187 2.078 ( -13.098 6.041 0.000) 14.424 2.178 ( -13.136 2.854 0.000) 13.442 2.362 ( -5.129 -4.081 0.000) 6.554 2.630 ( -5.096 -10.859 0.000) 11.995 2.663 ( -14.964 -1.477 0.000) 15.037 2.803 ( -0.228 -2.865 0.000) 2.874 2.858 ( 2.466 -1.970 0.000) 3.156 3.011 ( -10.101 -8.012 0.000) 12.893 3.086 ( -8.034 -4.762 0.000) 9.339 3.361 ( -1.391 3.160 0.000) 3.453 3.402 ( -2.565 -2.942 0.000) 3.903 3.630 ( -0.030 -0.593 0.000) 0.594 3.693 ( 1.683 -2.558 0.000) 3.062 3.751 ( -2.542 -1.729 0.000) 3.075 3.885 ( 1.664 9.274 0.000) 9.422 3.908 ( 0.291 -0.763 0.000) 0.816 4.107 ( -2.258 -9.687 0.000) 9.946 4.128 ( 0.373 -3.171 0.000) 3.193 4.577 ( 4.451 -6.697 0.000) 8.041 4.633 ( -0.466 2.065 0.000) 2.117 4.964 ( 6.262 -0.954 0.000) 6.334 5.035 ( 3.334 0.303 0.000) 3.348 6.273 ( -21.134 0.770 0.000) 21.148 6.472 ( -25.842 -10.193 0.000) 27.779 6.692 ( -3.148 -4.336 0.000) 5.359 6.716 ( -3.274 -2.452 0.000) 4.090 6.892 ( -1.498 2.683 0.000) 3.073 7.007 ( -7.569 -1.508 0.000) 7.718 7.144 ( -1.412 5.471 0.000) 5.650 7.571 ( 0.945 -2.413 0.000) 2.592 7.579 ( 2.816 -0.708 0.000) 2.904 7.679 ( 2.972 0.738 0.000) 3.062 7.718 ( 4.243 -8.215 0.000) 9.246 7.735 ( 2.718 0.666 0.000) 2.799 7.968 ( 3.514 -1.295 0.000) 3.745 8.099 ( -5.882 1.150 0.000) 5.994 8.164 ( -3.890 2.245 0.000) 4.491 8.342 ( 2.574 5.054 0.000) 5.671 9.150 ( 1.670 -0.127 0.000) 1.675 9.240 ( 0.897 -2.363 0.000) 2.528 9.242 ( 8.376 -4.894 0.000) 9.700 9.556 ( 1.001 -0.359 0.000) 1.063 9.773 ( 2.626 4.914 0.000) 5.572 10.161 ( 6.486 0.813 0.000) 6.537 ======================= Grid point 37 (29/147) ======================= q-point: (-0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( -0.000 24.339 0.000) 24.339 0.796 ( -0.000 33.024 0.000) 33.024 1.087 ( -0.000 44.956 0.000) 44.956 1.523 ( -0.000 20.787 0.000) 20.787 1.851 ( -0.000 8.730 0.000) 8.730 2.019 ( -0.000 2.583 0.000) 2.583 2.358 ( 0.000 -7.375 0.000) 7.375 2.510 ( 0.000 -0.839 0.000) 0.839 2.660 ( 0.000 -12.639 0.000) 12.639 2.879 ( 0.000 -4.184 0.000) 4.184 2.905 ( 0.000 -7.057 0.000) 7.057 2.945 ( 0.000 -3.458 0.000) 3.458 2.979 ( 0.000 -2.391 0.000) 2.391 3.325 ( -0.000 4.728 0.000) 4.728 3.395 ( 0.000 -2.736 0.000) 2.736 3.636 ( 0.000 -0.901 0.000) 0.901 3.725 ( 0.000 -1.385 0.000) 1.385 3.736 ( 0.000 -2.143 0.000) 2.143 3.852 ( -0.000 9.325 0.000) 9.325 3.917 ( -0.000 0.102 0.000) 0.102 4.149 ( 0.000 -1.796 0.000) 1.796 4.173 ( 0.000 -14.382 0.000) 14.382 4.664 ( 0.000 -1.579 0.000) 1.579 4.667 ( 0.000 -8.010 0.000) 8.010 4.991 ( -0.000 10.018 0.000) 10.018 5.124 ( 0.000 -8.912 0.000) 8.912 6.003 ( -0.000 2.299 0.000) 2.299 6.025 ( -0.000 1.994 0.000) 1.994 6.683 ( 0.000 -4.232 0.000) 4.232 6.698 ( 0.000 -3.180 0.000) 3.180 6.872 ( -0.000 0.952 0.000) 0.952 6.946 ( -0.000 0.041 0.000) 0.041 7.090 ( -0.000 7.844 0.000) 7.844 7.580 ( 0.000 -1.310 0.000) 1.310 7.617 ( 0.000 -0.857 0.000) 0.857 7.722 ( 0.000 -0.799 0.000) 0.799 7.758 ( -0.000 1.237 0.000) 1.237 7.824 ( 0.000 -9.017 0.000) 9.017 8.025 ( -0.000 0.715 0.000) 0.715 8.034 ( 0.000 -0.207 0.000) 0.207 8.078 ( -0.000 0.665 0.000) 0.665 8.335 ( -0.000 7.683 0.000) 7.683 9.164 ( 0.000 -0.268 0.000) 0.268 9.262 ( 0.000 -1.402 0.000) 1.402 9.374 ( 0.000 -3.993 0.000) 3.993 9.569 ( 0.000 -0.294 0.000) 0.294 9.772 ( -0.000 4.665 0.000) 4.665 10.246 ( 0.000 -1.254 0.000) 1.254 ======================= Grid point 42 (30/147) ======================= q-point: ( 0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.449 ( -0.579 -0.000 0.000) 0.579 2.560 ( 2.365 0.000 0.000) 2.365 2.752 ( 11.877 0.000 0.000) 11.877 2.811 ( 3.080 0.000 0.000) 3.080 2.827 ( -6.593 -0.000 0.000) 6.593 2.911 ( -6.703 -0.000 0.000) 6.703 3.002 ( 0.637 0.000 0.000) 0.637 3.114 ( -4.487 -0.000 0.000) 4.487 3.127 ( 5.044 0.000 0.000) 5.044 3.177 ( -3.784 -0.000 0.000) 3.784 3.190 ( -2.703 -0.000 0.000) 2.703 3.273 ( 2.052 0.000 0.000) 2.052 3.543 ( -8.572 -0.000 0.000) 8.572 3.545 ( -3.225 -0.000 0.000) 3.225 3.748 ( -2.392 -0.000 0.000) 2.392 3.765 ( 2.602 0.000 0.000) 2.602 3.946 ( -2.409 -0.000 0.000) 2.409 4.029 ( 1.248 0.000 0.000) 1.248 4.032 ( 5.098 0.000 0.000) 5.098 4.125 ( -0.409 -0.000 0.000) 0.409 4.169 ( 4.291 0.000 0.000) 4.291 4.324 ( -0.239 -0.000 0.000) 0.239 4.566 ( 0.160 0.000 0.000) 0.160 5.070 ( 7.656 0.000 0.000) 7.656 5.282 ( 3.174 0.000 0.000) 3.174 5.314 ( 12.876 0.000 0.000) 12.876 6.787 ( 4.779 0.000 0.000) 4.779 6.883 ( -0.918 -0.000 0.000) 0.918 6.956 ( 6.166 0.000 0.000) 6.166 6.978 ( -2.237 -0.000 0.000) 2.237 7.193 ( -4.693 -0.000 0.000) 4.693 7.221 ( -6.305 -0.000 0.000) 6.305 7.394 ( 4.429 0.000 0.000) 4.429 7.492 ( 7.121 0.000 0.000) 7.121 7.516 ( -1.305 -0.000 0.000) 1.305 7.535 ( -0.631 -0.000 0.000) 0.631 7.604 ( -3.626 -0.000 0.000) 3.626 7.882 ( 0.554 0.000 0.000) 0.554 8.023 ( 6.999 0.000 0.000) 6.999 8.188 ( 8.562 0.000 0.000) 8.562 8.241 ( -10.030 -0.000 0.000) 10.030 8.460 ( -10.327 -0.000 0.000) 10.327 8.549 ( -4.115 -0.000 0.000) 4.115 8.746 ( -6.257 -0.000 0.000) 6.257 9.223 ( -3.843 -0.000 0.000) 3.843 9.415 ( -1.060 -0.000 0.000) 1.060 9.633 ( -1.085 -0.000 0.000) 1.085 9.648 ( 1.603 0.000 0.000) 1.603 ======================= Grid point 43 (31/147) ======================= q-point: (-0.69 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( -1.010 -0.143 0.000) 1.020 2.580 ( -4.066 -0.171 0.000) 4.069 2.702 ( -2.432 0.596 0.000) 2.504 2.704 ( -12.102 2.170 0.000) 12.295 2.814 ( -3.727 -2.075 0.000) 4.266 2.889 ( 1.833 0.112 0.000) 1.836 2.991 ( -4.090 1.312 0.000) 4.296 3.018 ( -3.787 -1.914 0.000) 4.244 3.067 ( -4.137 -0.624 0.000) 4.184 3.123 ( -2.216 -0.351 0.000) 2.244 3.258 ( 6.280 0.253 0.000) 6.285 3.296 ( -0.374 0.018 0.000) 0.375 3.367 ( -8.006 -0.364 0.000) 8.014 3.522 ( -0.380 -0.021 0.000) 0.381 3.694 ( -2.789 0.030 0.000) 2.789 3.848 ( 4.833 -0.355 0.000) 4.846 3.903 ( -1.862 -0.950 0.000) 2.091 4.015 ( -2.467 0.880 0.000) 2.620 4.034 ( -2.167 -0.172 0.000) 2.174 4.198 ( 8.360 8.364 0.000) 11.826 4.306 ( -1.444 -0.037 0.000) 1.445 4.330 ( 7.221 -10.765 0.000) 12.962 4.583 ( 1.220 0.012 0.000) 1.220 5.168 ( 1.938 0.400 0.000) 1.979 5.273 ( -1.397 6.706 0.000) 6.850 5.478 ( 1.664 -2.868 0.000) 3.316 6.838 ( -3.475 5.528 0.000) 6.529 6.847 ( -1.954 1.079 0.000) 2.233 6.912 ( 0.144 -5.971 0.000) 5.972 7.057 ( -0.748 -1.552 0.000) 1.723 7.099 ( -4.866 -0.156 0.000) 4.868 7.117 ( -0.113 -0.086 0.000) 0.143 7.398 ( -2.869 -0.095 0.000) 2.871 7.489 ( -0.952 0.565 0.000) 1.107 7.544 ( -1.435 1.262 0.000) 1.911 7.610 ( 6.024 -0.065 0.000) 6.024 7.621 ( 3.559 -0.988 0.000) 3.694 7.855 ( -2.574 -0.008 0.000) 2.574 8.028 ( -10.001 0.012 0.000) 10.001 8.148 ( 5.122 -0.898 0.000) 5.200 8.266 ( -8.682 0.738 0.000) 8.713 8.365 ( 8.960 -0.841 0.000) 8.999 8.473 ( -2.773 0.050 0.000) 2.773 8.695 ( 0.438 -0.024 0.000) 0.439 9.159 ( -2.671 -0.257 0.000) 2.683 9.432 ( 2.797 0.051 0.000) 2.797 9.612 ( -1.108 -0.067 0.000) 1.110 9.681 ( 1.994 0.026 0.000) 1.995 ======================= Grid point 44 (32/147) ======================= q-point: (-0.62 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.391 ( -12.660 -0.607 0.000) 12.674 2.414 ( -1.148 -0.552 0.000) 1.274 2.457 ( -12.148 -1.826 0.000) 12.285 2.697 ( -1.404 2.081 0.000) 2.511 2.705 ( -8.471 -3.286 0.000) 9.086 2.872 ( -2.424 -0.344 0.000) 2.448 2.873 ( -5.396 -0.451 0.000) 5.415 2.945 ( -4.471 -2.214 0.000) 4.989 3.037 ( -6.398 0.890 0.000) 6.459 3.042 ( -2.043 -2.055 0.000) 2.897 3.268 ( -0.770 -1.914 0.000) 2.063 3.269 ( -1.359 1.082 0.000) 1.737 3.403 ( 6.546 -0.906 0.000) 6.608 3.491 ( -2.720 0.266 0.000) 2.733 3.643 ( -2.313 -0.023 0.000) 2.313 3.865 ( -3.243 -0.160 0.000) 3.247 3.948 ( 5.015 -0.573 0.000) 5.047 3.964 ( -1.382 0.537 0.000) 1.482 3.995 ( -2.222 -1.051 0.000) 2.458 4.269 ( -2.394 -0.008 0.000) 2.394 4.317 ( 8.541 8.395 0.000) 11.976 4.533 ( 6.356 -9.125 0.000) 11.120 4.578 ( -2.535 0.537 0.000) 2.592 5.111 ( -7.986 2.280 0.000) 8.305 5.162 ( -5.287 7.208 0.000) 8.939 5.389 ( -11.393 0.949 0.000) 11.432 6.715 ( -3.451 1.209 0.000) 3.657 6.814 ( -0.399 1.152 0.000) 1.219 6.950 ( -6.437 -0.578 0.000) 6.463 6.985 ( 2.539 -1.976 0.000) 3.217 7.009 ( -3.937 -0.755 0.000) 4.009 7.208 ( 4.656 -1.508 0.000) 4.894 7.332 ( -3.675 -1.035 0.000) 3.818 7.480 ( 0.623 0.590 0.000) 0.858 7.534 ( 1.240 1.573 0.000) 2.002 7.629 ( -1.097 -0.872 0.000) 1.401 7.690 ( 1.391 0.613 0.000) 1.520 7.771 ( -6.679 -0.411 0.000) 6.691 7.918 ( -1.413 0.750 0.000) 1.600 8.108 ( -7.057 0.974 0.000) 7.124 8.241 ( 3.372 -5.503 0.000) 6.453 8.458 ( 0.842 -0.359 0.000) 0.916 8.553 ( 9.315 -1.494 0.000) 9.434 8.712 ( -0.056 0.082 0.000) 0.099 9.124 ( -1.309 -1.422 0.000) 1.933 9.514 ( 5.131 0.298 0.000) 5.140 9.587 ( -1.530 -0.059 0.000) 1.531 9.733 ( 3.382 0.056 0.000) 3.383 ======================= Grid point 45 (33/147) ======================= q-point: (-0.54 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( -14.934 0.740 0.000) 14.952 2.228 ( -12.474 0.685 0.000) 12.493 2.386 ( -2.386 -0.025 0.000) 2.386 2.572 ( -7.238 -8.758 0.000) 11.362 2.585 ( -7.808 2.182 0.000) 8.107 2.785 ( -5.523 -2.261 0.000) 5.968 2.797 ( -6.314 -0.986 0.000) 6.390 2.852 ( -6.332 -2.574 0.000) 6.835 2.916 ( -4.125 -1.021 0.000) 4.249 2.984 ( -5.421 -4.633 0.000) 7.131 3.251 ( 0.964 2.774 0.000) 2.937 3.337 ( 4.998 -2.337 0.000) 5.517 3.434 ( -2.928 -0.942 0.000) 3.076 3.504 ( 2.283 -1.150 0.000) 2.557 3.613 ( -0.319 0.003 0.000) 0.319 3.765 ( -6.441 2.080 0.000) 6.769 3.944 ( -1.619 -0.224 0.000) 1.634 3.954 ( -2.541 -1.059 0.000) 2.753 4.053 ( 5.046 -1.332 0.000) 5.219 4.208 ( -3.645 0.506 0.000) 3.680 4.408 ( -4.415 3.985 0.000) 5.948 4.465 ( 1.470 3.953 0.000) 4.217 4.646 ( -1.488 -2.506 0.000) 2.914 4.811 ( -19.733 4.071 0.000) 20.149 5.008 ( -7.083 3.010 0.000) 7.696 5.064 ( -15.749 4.862 0.000) 16.483 6.721 ( 3.740 1.241 0.000) 3.940 6.799 ( -1.798 0.975 0.000) 2.045 6.855 ( -2.629 -0.636 0.000) 2.705 6.926 ( -4.603 -1.725 0.000) 4.915 7.058 ( 3.966 -0.401 0.000) 3.986 7.280 ( -2.339 -2.522 0.000) 3.440 7.299 ( 3.853 -1.881 0.000) 4.287 7.508 ( 2.379 0.216 0.000) 2.389 7.566 ( 2.208 2.735 0.000) 3.515 7.637 ( -3.802 -1.956 0.000) 4.275 7.648 ( -5.062 1.296 0.000) 5.226 7.669 ( 1.716 -1.044 0.000) 2.009 7.885 ( -0.891 1.569 0.000) 1.804 7.958 ( -7.925 1.308 0.000) 8.032 8.379 ( 5.939 -11.282 0.000) 12.750 8.477 ( 0.110 -0.136 0.000) 0.175 8.661 ( -4.993 0.551 0.000) 5.023 8.745 ( 9.038 -2.134 0.000) 9.287 9.122 ( -0.208 -2.766 0.000) 2.774 9.555 ( -1.614 0.030 0.000) 1.615 9.613 ( 5.056 0.884 0.000) 5.133 9.814 ( 4.739 0.062 0.000) 4.739 ======================= Grid point 46 (34/147) ======================= q-point: (-0.46 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( -15.963 4.195 0.000) 16.505 1.945 ( -13.271 8.361 0.000) 15.685 2.300 ( -5.614 2.787 0.000) 6.268 2.394 ( -10.036 1.701 0.000) 10.179 2.507 ( -6.311 -9.270 0.000) 11.215 2.629 ( -11.217 -2.837 0.000) 11.570 2.685 ( -4.422 -2.330 0.000) 4.998 2.763 ( -5.285 -5.468 0.000) 7.604 2.879 ( -2.140 -4.125 0.000) 4.648 2.893 ( -5.610 -2.054 0.000) 5.974 3.281 ( 2.258 0.224 0.000) 2.269 3.364 ( -6.155 -2.347 0.000) 6.587 3.410 ( -1.593 -1.720 0.000) 2.344 3.503 ( -2.649 -1.949 0.000) 3.289 3.573 ( -12.240 3.010 0.000) 12.605 3.624 ( 0.618 0.007 0.000) 0.618 3.853 ( -6.994 1.926 0.000) 7.254 3.924 ( -1.406 0.209 0.000) 1.422 4.121 ( -3.596 1.423 0.000) 3.868 4.139 ( -1.177 -0.973 0.000) 1.527 4.148 ( -14.319 0.786 0.000) 14.340 4.344 ( -20.022 5.950 0.000) 20.888 4.395 ( -13.782 2.342 0.000) 13.980 4.597 ( 6.725 1.220 0.000) 6.835 4.858 ( -5.653 1.110 0.000) 5.761 4.940 ( 1.479 1.275 0.000) 1.953 6.742 ( -3.150 -1.103 0.000) 3.338 6.770 ( 0.053 1.415 0.000) 1.416 6.824 ( -2.252 0.074 0.000) 2.253 6.843 ( -4.510 -1.437 0.000) 4.733 7.147 ( 2.282 -1.543 0.000) 2.755 7.295 ( 4.705 -0.215 0.000) 4.709 7.387 ( 3.356 -3.608 0.000) 4.927 7.460 ( -13.276 2.044 0.000) 13.433 7.494 ( -9.123 -0.282 0.000) 9.128 7.570 ( 3.667 -0.523 0.000) 3.704 7.577 ( -2.451 2.684 0.000) 3.635 7.746 ( 4.063 -2.679 0.000) 4.867 7.795 ( -6.871 0.727 0.000) 6.909 7.960 ( 9.814 1.248 0.000) 9.893 8.440 ( -3.939 -0.532 0.000) 3.974 8.499 ( -7.248 -1.166 0.000) 7.341 8.630 ( 9.134 -9.725 0.000) 13.342 8.928 ( 8.136 -1.790 0.000) 8.330 9.142 ( 0.213 -3.484 0.000) 3.491 9.531 ( -0.666 0.011 0.000) 0.667 9.701 ( 4.740 2.001 0.000) 5.145 9.917 ( 5.873 0.188 0.000) 5.876 ======================= Grid point 47 (35/147) ======================= q-point: (-0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( -15.204 9.650 0.000) 18.008 1.627 ( -10.830 17.672 0.000) 20.727 2.121 ( -7.933 11.626 0.000) 14.075 2.227 ( -7.007 -5.049 0.000) 8.637 2.374 ( -10.711 -2.870 0.000) 11.089 2.417 ( -11.939 -1.708 0.000) 12.061 2.642 ( -11.000 -0.933 0.000) 11.039 2.644 ( -2.307 -2.308 0.000) 3.264 2.819 ( -1.833 -0.832 0.000) 2.013 2.849 ( -4.174 -3.401 0.000) 5.384 3.088 ( -22.904 0.990 0.000) 22.925 3.191 ( -20.437 -3.355 0.000) 20.711 3.232 ( -13.152 1.326 0.000) 13.219 3.374 ( 0.408 -0.997 0.000) 1.077 3.432 ( -5.068 -2.604 0.000) 5.698 3.627 ( -0.330 -0.358 0.000) 0.487 3.686 ( -6.095 0.745 0.000) 6.140 3.863 ( -7.259 4.755 0.000) 8.678 3.909 ( -4.049 -1.374 0.000) 4.276 4.000 ( -1.704 4.803 0.000) 5.096 4.077 ( -6.076 -3.529 0.000) 7.026 4.081 ( -2.150 -1.994 0.000) 2.932 4.394 ( 5.549 -2.435 0.000) 6.059 4.684 ( -3.680 -9.201 0.000) 9.910 4.782 ( 3.177 4.724 0.000) 5.693 5.010 ( 5.794 2.988 0.000) 6.519 6.654 ( -13.282 -0.918 0.000) 13.314 6.687 ( -4.491 -2.130 0.000) 4.970 6.727 ( -8.953 -2.616 0.000) 9.327 6.761 ( -4.874 -2.012 0.000) 5.273 7.074 ( -9.612 5.066 0.000) 10.866 7.216 ( -16.084 -1.475 0.000) 16.152 7.226 ( -3.781 -0.312 0.000) 3.794 7.449 ( 8.135 0.356 0.000) 8.143 7.480 ( 3.025 -5.117 0.000) 5.944 7.564 ( 1.984 0.014 0.000) 1.984 7.657 ( 4.520 -0.789 0.000) 4.588 7.698 ( -2.710 0.610 0.000) 2.778 7.853 ( 4.768 -2.331 0.000) 5.307 8.157 ( 8.232 3.933 0.000) 9.123 8.317 ( -7.435 2.414 0.000) 7.817 8.363 ( -4.239 -1.238 0.000) 4.416 8.911 ( 12.089 -9.033 0.000) 15.091 9.077 ( 5.912 -0.451 0.000) 5.929 9.168 ( 0.613 -3.395 0.000) 3.450 9.531 ( 0.629 -0.215 0.000) 0.665 9.778 ( 4.554 3.522 0.000) 5.757 10.041 ( 6.706 0.399 0.000) 6.718 ======================= Grid point 48 (36/147) ======================= q-point: (-0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( -10.960 16.431 0.000) 19.751 1.342 ( -4.043 27.221 0.000) 27.520 1.910 ( -4.412 16.332 0.000) 16.918 2.051 ( -19.901 18.898 0.000) 27.444 2.126 ( -6.811 1.050 0.000) 6.891 2.198 ( -10.936 0.404 0.000) 10.944 2.361 ( -9.689 4.744 0.000) 10.788 2.524 ( -11.572 -5.713 0.000) 12.906 2.650 ( -15.687 -0.765 0.000) 15.705 2.768 ( -1.692 -3.196 0.000) 3.616 2.827 ( 1.128 -3.298 0.000) 3.486 2.917 ( -8.994 -8.252 0.000) 12.206 3.027 ( -8.875 -5.091 0.000) 10.232 3.362 ( -3.333 -3.934 0.000) 5.156 3.375 ( -0.737 -0.628 0.000) 0.968 3.623 ( -0.177 -0.577 0.000) 0.604 3.660 ( 1.496 -2.872 0.000) 3.238 3.738 ( -3.588 -0.435 0.000) 3.614 3.872 ( -2.735 -4.876 0.000) 5.591 3.984 ( 1.727 7.583 0.000) 7.777 4.046 ( 0.134 -1.390 0.000) 1.397 4.084 ( 0.404 -4.200 0.000) 4.219 4.514 ( 4.031 -3.986 0.000) 5.669 4.625 ( -3.368 -4.814 0.000) 5.875 4.885 ( 4.636 -5.895 0.000) 7.500 5.098 ( 4.869 5.668 0.000) 7.472 6.284 ( -19.519 1.044 0.000) 19.547 6.387 ( -24.510 -4.824 0.000) 24.981 6.645 ( -3.411 -3.925 0.000) 5.200 6.687 ( -3.737 -2.429 0.000) 4.457 6.915 ( -3.842 1.287 0.000) 4.051 6.993 ( -6.446 -1.093 0.000) 6.538 7.205 ( 0.799 4.576 0.000) 4.645 7.549 ( 1.565 -1.111 0.000) 1.920 7.561 ( 2.663 -3.094 0.000) 4.083 7.641 ( 3.753 -4.281 0.000) 5.693 7.685 ( 1.503 0.198 0.000) 1.516 7.743 ( 3.694 0.684 0.000) 3.756 7.952 ( 4.266 -1.487 0.000) 4.517 8.115 ( -6.147 1.687 0.000) 6.374 8.184 ( -5.665 1.289 0.000) 5.810 8.400 ( 5.423 4.944 0.000) 7.338 9.148 ( 1.372 -0.212 0.000) 1.388 9.177 ( 9.574 -6.226 0.000) 11.420 9.215 ( 2.188 -1.870 0.000) 2.879 9.551 ( 1.002 -0.364 0.000) 1.066 9.830 ( 2.958 4.842 0.000) 5.674 10.165 ( 5.562 0.036 0.000) 5.562 ======================= Grid point 49 (37/147) ======================= q-point: (-0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( -0.000 21.529 0.000) 21.529 1.162 ( -0.000 30.273 0.000) 30.273 1.578 ( -0.000 39.424 0.000) 39.424 1.768 ( -0.000 20.442 0.000) 20.442 1.964 ( -0.000 10.626 0.000) 10.626 2.053 ( -0.000 3.085 0.000) 3.085 2.290 ( 0.000 -3.657 0.000) 3.657 2.484 ( 0.000 -16.635 0.000) 16.635 2.498 ( 0.000 -1.245 0.000) 1.245 2.822 ( 0.000 -5.635 0.000) 5.635 2.836 ( 0.000 -5.208 0.000) 5.208 2.894 ( 0.000 -5.399 0.000) 5.399 2.938 ( 0.000 -4.359 0.000) 4.359 3.355 ( 0.000 -4.247 0.000) 4.247 3.365 ( -0.000 1.499 0.000) 1.499 3.626 ( 0.000 -0.755 0.000) 0.755 3.700 ( 0.000 -2.725 0.000) 2.725 3.716 ( 0.000 -1.440 0.000) 1.440 3.878 ( 0.000 -7.236 0.000) 7.236 3.956 ( -0.000 8.499 0.000) 8.499 4.066 ( 0.000 -3.137 0.000) 3.137 4.117 ( 0.000 -3.689 0.000) 3.689 4.584 ( 0.000 -5.872 0.000) 5.872 4.632 ( 0.000 -4.743 0.000) 4.743 4.989 ( 0.000 -8.933 0.000) 8.933 5.115 ( -0.000 6.934 0.000) 6.934 6.035 ( -0.000 3.018 0.000) 3.018 6.051 ( -0.000 2.505 0.000) 2.505 6.632 ( 0.000 -4.549 0.000) 4.549 6.661 ( 0.000 -2.971 0.000) 2.971 6.879 ( -0.000 0.191 0.000) 0.191 6.942 ( 0.000 -0.720 0.000) 0.720 7.180 ( -0.000 7.180 0.000) 7.180 7.563 ( 0.000 -1.404 0.000) 1.404 7.606 ( 0.000 -1.413 0.000) 1.413 7.711 ( 0.000 -0.943 0.000) 0.943 7.722 ( 0.000 -7.738 0.000) 7.738 7.775 ( -0.000 1.653 0.000) 1.653 8.032 ( 0.000 -0.397 0.000) 0.397 8.034 ( -0.000 0.841 0.000) 0.841 8.087 ( -0.000 0.794 0.000) 0.794 8.421 ( -0.000 7.160 0.000) 7.160 9.160 ( 0.000 -0.387 0.000) 0.387 9.247 ( 0.000 -1.106 0.000) 1.106 9.318 ( 0.000 -5.657 0.000) 5.657 9.565 ( 0.000 -0.346 0.000) 0.346 9.831 ( -0.000 5.325 0.000) 5.325 10.233 ( 0.000 -1.077 0.000) 1.077 ======================= Grid point 56 (38/147) ======================= q-point: (-0.69 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.387 ( -12.470 -0.000 0.000) 12.470 2.411 ( -1.146 -0.000 0.000) 1.146 2.447 ( -12.584 -0.000 0.000) 12.584 2.686 ( -9.040 -0.000 0.000) 9.040 2.710 ( -1.439 -0.000 0.000) 1.439 2.870 ( -2.742 -0.000 0.000) 2.742 2.871 ( -6.022 -0.000 0.000) 6.022 2.931 ( -3.993 -0.000 0.000) 3.993 3.030 ( -2.662 -0.000 0.000) 2.662 3.043 ( -6.164 -0.000 0.000) 6.164 3.256 ( -1.369 -0.000 0.000) 1.369 3.276 ( -0.827 -0.000 0.000) 0.827 3.399 ( 6.841 0.000 0.000) 6.841 3.493 ( -2.857 -0.000 0.000) 2.857 3.643 ( -2.320 -0.000 0.000) 2.320 3.863 ( -2.467 -0.000 0.000) 2.467 3.945 ( 4.917 0.000 0.000) 4.917 3.969 ( -2.060 -0.000 0.000) 2.060 3.987 ( -2.173 -0.000 0.000) 2.173 4.269 ( -2.310 -0.000 0.000) 2.310 4.400 ( 7.782 0.000 0.000) 7.782 4.445 ( 8.078 0.000 0.000) 8.078 4.581 ( -2.259 -0.000 0.000) 2.259 5.124 ( -7.629 -0.000 0.000) 7.629 5.205 ( -6.940 -0.000 0.000) 6.940 5.394 ( -9.999 -0.000 0.000) 9.999 6.723 ( -4.120 -0.000 0.000) 4.120 6.822 ( -0.349 -0.000 0.000) 0.349 6.946 ( -6.537 -0.000 0.000) 6.537 6.973 ( 2.810 0.000 0.000) 2.810 7.005 ( -3.368 -0.000 0.000) 3.368 7.198 ( 4.820 0.000 0.000) 4.820 7.326 ( -4.005 -0.000 0.000) 4.005 7.484 ( 0.456 0.000 0.000) 0.456 7.543 ( 1.345 0.000 0.000) 1.345 7.624 ( -1.605 -0.000 0.000) 1.605 7.694 ( 1.505 0.000 0.000) 1.505 7.769 ( -6.623 -0.000 0.000) 6.623 7.923 ( -0.825 -0.000 0.000) 0.825 8.114 ( -7.040 -0.000 0.000) 7.040 8.207 ( 1.971 0.000 0.000) 1.971 8.456 ( 0.918 0.000 0.000) 0.918 8.544 ( 9.239 0.000 0.000) 9.239 8.712 ( 0.057 0.000 0.000) 0.057 9.116 ( -1.513 -0.000 0.000) 1.513 9.516 ( 5.196 0.000 0.000) 5.196 9.587 ( -1.499 -0.000 0.000) 1.499 9.733 ( 3.354 0.000 0.000) 3.354 ======================= Grid point 58 (39/147) ======================= q-point: (-0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( -14.036 0.270 0.000) 14.039 2.243 ( -8.168 1.236 0.000) 8.261 2.386 ( -1.758 -0.004 0.000) 1.758 2.493 ( -10.052 -4.124 0.000) 10.865 2.603 ( -7.877 0.898 0.000) 7.928 2.767 ( -5.883 -0.866 0.000) 5.946 2.788 ( -6.305 -0.445 0.000) 6.321 2.831 ( -6.736 -0.885 0.000) 6.794 2.905 ( -6.238 -0.608 0.000) 6.268 2.944 ( -5.597 -1.929 0.000) 5.920 3.279 ( 1.231 1.475 0.000) 1.921 3.320 ( 5.858 -0.668 0.000) 5.896 3.426 ( -3.467 -0.374 0.000) 3.487 3.495 ( 2.041 -0.367 0.000) 2.073 3.613 ( -0.266 0.003 0.000) 0.267 3.781 ( -6.133 0.750 0.000) 6.178 3.942 ( -1.044 -0.119 0.000) 1.051 3.945 ( -2.411 -0.427 0.000) 2.448 4.041 ( 4.769 -0.553 0.000) 4.801 4.212 ( -3.327 0.225 0.000) 3.335 4.432 ( -10.930 0.764 0.000) 10.957 4.516 ( 5.219 3.761 0.000) 6.433 4.613 ( 3.613 -2.652 0.000) 4.482 4.845 ( -19.737 1.525 0.000) 19.796 5.027 ( -9.977 0.749 0.000) 10.005 5.108 ( -15.747 2.126 0.000) 15.890 6.732 ( 4.164 0.514 0.000) 4.196 6.817 ( -2.703 1.897 0.000) 3.302 6.840 ( -2.094 -1.791 0.000) 2.755 6.909 ( -4.438 -0.868 0.000) 4.523 7.057 ( 3.694 0.048 0.000) 3.694 7.260 ( -2.159 -0.900 0.000) 2.339 7.284 ( 3.653 -0.681 0.000) 3.716 7.509 ( 2.095 0.002 0.000) 2.095 7.592 ( 2.335 1.776 0.000) 2.934 7.614 ( -1.380 -1.730 0.000) 2.213 7.659 ( -4.892 0.453 0.000) 4.913 7.664 ( -0.441 -0.121 0.000) 0.458 7.901 ( -1.391 0.929 0.000) 1.672 7.968 ( -8.098 0.492 0.000) 8.113 8.283 ( 5.443 -4.566 0.000) 7.105 8.477 ( 0.364 0.010 0.000) 0.364 8.666 ( -4.861 0.246 0.000) 4.867 8.727 ( 9.094 -0.858 0.000) 9.134 9.101 ( -0.244 -0.897 0.000) 0.929 9.555 ( -1.581 0.020 0.000) 1.581 9.620 ( 5.262 0.291 0.000) 5.270 9.813 ( 4.691 -0.041 0.000) 4.692 ======================= Grid point 59 (40/147) ======================= q-point: (-0.54 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( -14.067 2.486 0.000) 14.285 2.061 ( -7.180 11.314 0.000) 13.400 2.314 ( -6.005 0.098 0.000) 6.006 2.388 ( -5.382 -11.046 0.000) 12.287 2.428 ( -8.601 3.370 0.000) 9.238 2.608 ( -10.656 -0.642 0.000) 10.675 2.659 ( -5.125 -1.905 0.000) 5.468 2.697 ( -7.846 -5.331 0.000) 9.486 2.832 ( -3.133 -3.546 0.000) 4.732 2.863 ( -3.898 -2.368 0.000) 4.560 3.295 ( 1.228 1.889 0.000) 2.253 3.348 ( -6.301 -0.933 0.000) 6.369 3.401 ( -0.760 0.044 0.000) 0.761 3.482 ( -3.124 -1.580 0.000) 3.501 3.601 ( -11.442 1.800 0.000) 11.583 3.624 ( 0.502 -0.035 0.000) 0.503 3.876 ( -4.900 1.802 0.000) 5.221 3.925 ( -1.121 0.005 0.000) 1.121 4.118 ( 0.119 -0.859 0.000) 0.867 4.124 ( -18.041 -3.147 0.000) 18.313 4.145 ( -3.020 0.888 0.000) 3.148 4.421 ( -16.506 1.885 0.000) 16.613 4.444 ( -15.885 9.564 0.000) 18.542 4.593 ( -0.454 -2.187 0.000) 2.234 4.867 ( -4.480 0.425 0.000) 4.500 4.948 ( 1.344 0.317 0.000) 1.381 6.734 ( -3.864 -0.258 0.000) 3.873 6.783 ( -1.039 0.801 0.000) 1.312 6.820 ( -2.689 -0.595 0.000) 2.754 6.826 ( -4.652 -1.231 0.000) 4.812 7.132 ( 3.181 -0.919 0.000) 3.311 7.297 ( 6.631 0.325 0.000) 6.639 7.355 ( 2.907 -1.888 0.000) 3.466 7.478 ( -13.606 1.139 0.000) 13.654 7.491 ( -9.320 -0.176 0.000) 9.321 7.564 ( 3.200 -0.515 0.000) 3.242 7.607 ( -4.125 2.384 0.000) 4.765 7.714 ( 4.401 -2.617 0.000) 5.121 7.802 ( -7.205 0.432 0.000) 7.218 7.974 ( 10.853 1.074 0.000) 10.906 8.418 ( -1.411 -2.889 0.000) 3.215 8.493 ( 0.775 0.262 0.000) 0.818 8.554 ( 0.548 -3.762 0.000) 3.802 8.909 ( 8.575 -1.284 0.000) 8.671 9.113 ( 0.591 -1.559 0.000) 1.667 9.531 ( -0.727 0.023 0.000) 0.728 9.718 ( 5.155 1.009 0.000) 5.253 9.918 ( 5.860 -0.081 0.000) 5.861 ======================= Grid point 60 (41/147) ======================= q-point: (-0.46 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( -12.375 7.182 0.000) 14.308 1.846 ( -5.093 19.679 0.000) 20.328 2.164 ( -9.780 -5.143 0.000) 11.050 2.246 ( -5.057 9.543 0.000) 10.800 2.335 ( -6.523 -4.780 0.000) 8.087 2.394 ( -10.673 -1.300 0.000) 10.752 2.586 ( -7.894 -7.913 0.000) 11.177 2.621 ( -1.102 -1.746 0.000) 2.065 2.800 ( -3.001 -4.652 0.000) 5.536 2.808 ( -2.554 -1.046 0.000) 2.760 3.094 ( -21.139 0.287 0.000) 21.141 3.172 ( -22.152 -0.016 0.000) 22.152 3.236 ( -11.554 -0.466 0.000) 11.563 3.393 ( -2.412 3.300 0.000) 4.087 3.400 ( -5.946 -2.857 0.000) 6.597 3.623 ( -0.455 -0.261 0.000) 0.525 3.699 ( -8.610 1.298 0.000) 8.707 3.871 ( -6.565 -4.625 0.000) 8.030 3.913 ( -5.336 3.034 0.000) 6.138 4.017 ( -3.479 -1.060 0.000) 3.637 4.089 ( -0.953 2.639 0.000) 2.806 4.099 ( -7.778 7.586 0.000) 10.865 4.375 ( 5.333 -0.828 0.000) 5.397 4.555 ( -7.036 -12.655 0.000) 14.479 4.835 ( 1.815 4.049 0.000) 4.437 5.037 ( 6.435 1.587 0.000) 6.628 6.646 ( -13.375 -0.530 0.000) 13.386 6.664 ( -4.305 -1.639 0.000) 4.607 6.699 ( -11.443 -1.941 0.000) 11.606 6.739 ( -4.957 -1.712 0.000) 5.244 7.122 ( -11.100 3.385 0.000) 11.605 7.204 ( -16.293 -0.724 0.000) 16.309 7.215 ( -2.014 -1.518 0.000) 2.522 7.428 ( 2.887 -3.633 0.000) 4.641 7.466 ( 8.717 2.447 0.000) 9.054 7.571 ( 1.361 0.856 0.000) 1.608 7.641 ( 4.012 -1.773 0.000) 4.386 7.705 ( -2.345 0.600 0.000) 2.420 7.826 ( 5.063 -2.202 0.000) 5.521 8.203 ( 9.006 3.941 0.000) 9.830 8.344 ( -3.067 -0.007 0.000) 3.067 8.345 ( -7.726 0.237 0.000) 7.730 8.820 ( 13.998 -6.565 0.000) 15.461 9.070 ( 6.763 -0.629 0.000) 6.792 9.138 ( 1.021 -1.830 0.000) 2.095 9.529 ( 0.508 -0.142 0.000) 0.528 9.812 ( 5.114 2.294 0.000) 5.605 10.043 ( 6.653 0.009 0.000) 6.653 ======================= Grid point 61 (42/147) ======================= q-point: (-0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( -8.133 13.286 0.000) 15.577 1.647 ( -1.679 25.191 0.000) 25.246 2.027 ( -5.871 -2.024 0.000) 6.210 2.135 ( -1.000 7.264 0.000) 7.332 2.183 ( -8.214 4.724 0.000) 9.476 2.204 ( -8.942 1.524 0.000) 9.071 2.437 ( -8.666 5.035 0.000) 10.023 2.519 ( -14.032 3.886 0.000) 14.560 2.649 ( -17.680 0.688 0.000) 17.693 2.731 ( -4.085 -3.007 0.000) 5.073 2.788 ( -0.865 -2.992 0.000) 3.115 2.822 ( -7.875 -8.162 0.000) 11.341 2.975 ( -11.630 -3.750 0.000) 12.219 3.313 ( -4.206 -4.317 0.000) 6.027 3.364 ( -1.347 0.187 0.000) 1.360 3.617 ( -0.270 -0.470 0.000) 0.542 3.631 ( 0.888 -2.048 0.000) 2.232 3.737 ( -5.172 -0.073 0.000) 5.172 3.827 ( -3.630 -1.852 0.000) 4.075 4.030 ( 1.752 -2.510 0.000) 3.062 4.049 ( 1.310 1.286 0.000) 1.836 4.065 ( 0.161 3.873 0.000) 3.876 4.485 ( 4.226 -1.111 0.000) 4.369 4.507 ( -5.134 -14.607 0.000) 15.483 4.867 ( 3.009 1.819 0.000) 3.516 5.146 ( 5.059 2.585 0.000) 5.681 6.296 ( -18.096 1.043 0.000) 18.126 6.352 ( -21.536 -1.660 0.000) 21.600 6.603 ( -3.749 -3.259 0.000) 4.968 6.661 ( -3.788 -2.003 0.000) 4.285 6.924 ( -5.494 0.505 0.000) 5.517 6.981 ( -6.416 -0.933 0.000) 6.483 7.240 ( 1.677 1.343 0.000) 2.148 7.509 ( 2.590 -4.923 0.000) 5.563 7.553 ( 1.704 1.825 0.000) 2.497 7.622 ( 3.396 0.170 0.000) 3.400 7.683 ( 0.709 -0.609 0.000) 0.935 7.749 ( 4.549 0.309 0.000) 4.560 7.933 ( 4.770 -1.679 0.000) 5.057 8.136 ( -6.499 1.895 0.000) 6.770 8.193 ( -6.770 0.344 0.000) 6.779 8.453 ( 7.440 4.167 0.000) 8.527 9.104 ( 10.111 -5.977 0.000) 11.745 9.145 ( 1.028 -0.300 0.000) 1.071 9.198 ( 3.400 -1.094 0.000) 3.572 9.547 ( 0.999 -0.298 0.000) 1.043 9.881 ( 3.383 3.834 0.000) 5.113 10.165 ( 5.123 -0.100 0.000) 5.124 ======================= Grid point 62 (43/147) ======================= q-point: (-0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( -0.000 17.829 0.000) 17.829 1.490 ( -0.000 26.390 0.000) 26.390 1.953 ( -0.000 8.636 0.000) 8.636 1.967 ( -0.000 25.810 0.000) 25.810 2.087 ( -0.000 2.604 0.000) 2.604 2.089 ( -0.000 10.641 0.000) 10.641 2.295 ( -0.000 5.837 0.000) 5.837 2.319 ( 0.000 -8.736 0.000) 8.736 2.483 ( 0.000 -1.389 0.000) 1.389 2.752 ( 0.000 -6.371 0.000) 6.371 2.780 ( 0.000 -4.644 0.000) 4.644 2.821 ( 0.000 -7.254 0.000) 7.254 2.882 ( 0.000 -5.256 0.000) 5.256 3.299 ( 0.000 -5.141 0.000) 5.141 3.357 ( 0.000 -2.124 0.000) 2.124 3.618 ( 0.000 -0.635 0.000) 0.635 3.670 ( 0.000 -2.375 0.000) 2.375 3.700 ( 0.000 -1.396 0.000) 1.396 3.798 ( 0.000 -4.953 0.000) 4.953 4.041 ( -0.000 5.953 0.000) 5.953 4.064 ( -0.000 1.051 0.000) 1.051 4.070 ( 0.000 -3.917 0.000) 3.917 4.535 ( 0.000 -12.446 0.000) 12.446 4.537 ( 0.000 -2.203 0.000) 2.203 4.913 ( 0.000 -3.171 0.000) 3.171 5.181 ( -0.000 4.102 0.000) 4.102 6.071 ( -0.000 3.163 0.000) 3.163 6.081 ( -0.000 2.461 0.000) 2.461 6.582 ( 0.000 -4.015 0.000) 4.015 6.631 ( 0.000 -2.254 0.000) 2.254 6.877 ( 0.000 -0.459 0.000) 0.459 6.930 ( 0.000 -1.235 0.000) 1.235 7.244 ( -0.000 3.594 0.000) 3.594 7.556 ( -0.000 0.544 0.000) 0.544 7.569 ( 0.000 -5.042 0.000) 5.042 7.667 ( 0.000 -1.511 0.000) 1.511 7.700 ( 0.000 -1.029 0.000) 1.029 7.793 ( -0.000 1.311 0.000) 1.311 8.023 ( 0.000 -1.077 0.000) 1.077 8.043 ( -0.000 0.768 0.000) 0.768 8.096 ( -0.000 0.741 0.000) 0.741 8.499 ( -0.000 6.126 0.000) 6.126 9.155 ( 0.000 -0.423 0.000) 0.423 9.238 ( 0.000 -0.576 0.000) 0.576 9.247 ( 0.000 -6.308 0.000) 6.308 9.561 ( 0.000 -0.317 0.000) 0.317 9.890 ( -0.000 4.839 0.000) 4.839 10.223 ( 0.000 -0.630 0.000) 0.630 ======================= Grid point 71 (44/147) ======================= q-point: (-0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( -13.346 -0.000 0.000) 13.346 2.162 ( -1.585 -0.000 0.000) 1.585 2.290 ( -8.215 -0.000 0.000) 8.215 2.313 ( -6.947 -0.000 0.000) 6.947 2.451 ( -7.036 -0.000 0.000) 7.036 2.609 ( -9.449 -0.000 0.000) 9.449 2.647 ( -5.600 -0.000 0.000) 5.600 2.660 ( -10.092 -0.000 0.000) 10.092 2.810 ( -3.576 -0.000 0.000) 3.576 2.849 ( -3.268 -0.000 0.000) 3.268 3.310 ( 0.815 0.000 0.000) 0.815 3.340 ( -6.270 -0.000 0.000) 6.270 3.403 ( -0.137 -0.000 0.000) 0.137 3.471 ( -3.647 -0.000 0.000) 3.647 3.612 ( -11.148 -0.000 0.000) 11.148 3.624 ( 0.455 0.000 0.000) 0.455 3.888 ( -3.197 -0.000 0.000) 3.197 3.925 ( -1.246 -0.000 0.000) 1.246 4.102 ( -20.461 -0.000 0.000) 20.461 4.112 ( 0.351 0.000 0.000) 0.351 4.150 ( -2.716 -0.000 0.000) 2.716 4.432 ( -17.323 -0.000 0.000) 17.323 4.533 ( -6.082 -0.000 0.000) 6.082 4.550 ( -11.601 -0.000 0.000) 11.601 4.869 ( -3.680 -0.000 0.000) 3.680 4.949 ( 1.541 0.000 0.000) 1.541 6.733 ( -4.270 -0.000 0.000) 4.270 6.787 ( -1.476 -0.000 0.000) 1.476 6.815 ( -2.729 -0.000 0.000) 2.729 6.818 ( -4.667 -0.000 0.000) 4.667 7.127 ( 3.411 0.000 0.000) 3.411 7.299 ( 7.415 0.000 0.000) 7.415 7.344 ( 2.741 0.000 0.000) 2.741 7.485 ( -13.650 -0.000 0.000) 13.650 7.490 ( -9.373 -0.000 0.000) 9.373 7.560 ( 2.961 0.000 0.000) 2.961 7.624 ( -5.634 -0.000 0.000) 5.634 7.695 ( 5.399 0.000 0.000) 5.399 7.805 ( -7.330 -0.000 0.000) 7.330 7.981 ( 11.244 0.000 0.000) 11.244 8.397 ( 1.569 0.000 0.000) 1.569 8.497 ( 7.304 0.000 0.000) 7.304 8.533 ( -8.183 -0.000 0.000) 8.183 8.901 ( 8.734 0.000 0.000) 8.734 9.104 ( 0.737 0.000 0.000) 0.737 9.531 ( -0.752 -0.000 0.000) 0.752 9.724 ( 5.304 0.000 0.000) 5.304 9.917 ( 5.863 0.000 0.000) 5.863 ======================= Grid point 73 (45/147) ======================= q-point: (-0.54 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( -10.719 2.724 0.000) 11.059 2.066 ( -2.300 17.851 0.000) 17.998 2.119 ( -11.533 -2.186 0.000) 11.738 2.241 ( -2.790 -11.796 0.000) 12.121 2.330 ( -4.013 4.329 0.000) 5.903 2.409 ( -9.624 3.989 0.000) 10.418 2.484 ( -8.484 -8.524 0.000) 12.027 2.604 ( -0.127 -1.048 0.000) 1.056 2.755 ( -2.794 -2.477 0.000) 3.734 2.798 ( -2.366 -0.528 0.000) 2.424 3.097 ( -20.066 0.093 0.000) 20.066 3.180 ( -22.679 0.769 0.000) 22.692 3.232 ( -12.213 -0.119 0.000) 12.214 3.372 ( -6.337 -1.488 0.000) 6.509 3.424 ( -3.158 1.581 0.000) 3.531 3.621 ( -0.516 -0.096 0.000) 0.525 3.713 ( -11.383 0.902 0.000) 11.419 3.824 ( -4.815 -2.590 0.000) 5.467 3.933 ( -1.657 0.631 0.000) 1.773 4.005 ( -4.206 -0.639 0.000) 4.254 4.113 ( -0.698 1.118 0.000) 1.318 4.228 ( -11.583 13.406 0.000) 17.717 4.371 ( 5.360 -0.083 0.000) 5.361 4.399 ( -10.564 -14.042 0.000) 17.572 4.869 ( 2.116 1.565 0.000) 2.632 5.048 ( 6.381 0.414 0.000) 6.394 6.642 ( -13.318 -0.159 0.000) 13.319 6.651 ( -4.442 -0.657 0.000) 4.490 6.684 ( -12.239 -0.673 0.000) 12.258 6.724 ( -4.932 -0.686 0.000) 4.980 7.153 ( -14.264 1.848 0.000) 14.384 7.196 ( 0.894 -1.482 0.000) 1.731 7.199 ( -16.360 -0.215 0.000) 16.361 7.400 ( 2.675 -1.269 0.000) 2.961 7.494 ( 9.971 1.690 0.000) 10.113 7.580 ( 1.148 0.487 0.000) 1.247 7.621 ( 2.961 -1.218 0.000) 3.202 7.710 ( -2.120 0.226 0.000) 2.132 7.806 ( 5.382 -0.962 0.000) 5.468 8.242 ( 11.391 2.459 0.000) 11.653 8.320 ( -5.543 -1.772 0.000) 5.819 8.365 ( -7.033 1.005 0.000) 7.104 8.766 ( 15.054 -2.502 0.000) 15.260 9.064 ( 7.335 -0.326 0.000) 7.342 9.125 ( 1.143 -0.515 0.000) 1.254 9.528 ( 0.434 -0.050 0.000) 0.437 9.830 ( 5.458 0.797 0.000) 5.516 10.043 ( 6.677 -0.034 0.000) 6.677 ======================= Grid point 74 (46/147) ======================= q-point: (-0.46 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( -6.373 7.806 0.000) 10.077 1.911 ( -2.352 19.766 0.000) 19.906 1.949 ( -7.233 -6.876 0.000) 9.979 2.203 ( -7.914 -1.572 0.000) 8.068 2.223 ( -3.621 2.450 0.000) 4.372 2.244 ( -1.012 8.162 0.000) 8.225 2.438 ( -0.887 -3.991 0.000) 4.089 2.577 ( -8.659 4.975 0.000) 9.986 2.659 ( -18.720 0.739 0.000) 18.735 2.699 ( -10.568 -2.597 0.000) 10.882 2.737 ( -5.946 -5.969 0.000) 8.425 2.764 ( -2.055 -1.270 0.000) 2.416 2.935 ( -15.224 -3.404 0.000) 15.600 3.269 ( -4.682 -3.021 0.000) 5.572 3.396 ( -0.586 4.486 0.000) 4.524 3.613 ( -0.328 -0.264 0.000) 0.421 3.614 ( 0.149 -0.942 0.000) 0.954 3.732 ( -5.065 -0.581 0.000) 5.098 3.834 ( -5.552 2.435 0.000) 6.063 4.001 ( 1.169 -1.839 0.000) 2.179 4.075 ( -0.005 3.727 0.000) 3.727 4.103 ( 0.355 2.089 0.000) 2.119 4.321 ( -5.859 -16.422 0.000) 17.436 4.482 ( 4.733 0.316 0.000) 4.744 4.899 ( 2.066 2.822 0.000) 3.497 5.162 ( 4.826 0.428 0.000) 4.845 6.306 ( -17.147 0.673 0.000) 17.160 6.342 ( -19.340 -0.285 0.000) 19.343 6.572 ( -3.936 -1.939 0.000) 4.388 6.642 ( -3.599 -1.156 0.000) 3.780 6.928 ( -6.569 0.164 0.000) 6.571 6.972 ( -6.673 -0.567 0.000) 6.697 7.242 ( 1.793 -0.470 0.000) 1.854 7.463 ( 2.301 -2.885 0.000) 3.690 7.584 ( 1.420 3.124 0.000) 3.431 7.630 ( 3.487 0.783 0.000) 3.574 7.672 ( 0.856 -1.316 0.000) 1.570 7.750 ( 4.914 -0.086 0.000) 4.915 7.916 ( 5.106 -1.230 0.000) 5.252 8.157 ( -7.016 1.601 0.000) 7.196 8.193 ( -7.175 -0.394 0.000) 7.186 8.493 ( 8.652 2.529 0.000) 9.014 9.046 ( 10.281 -3.804 0.000) 10.962 9.141 ( 0.849 -0.239 0.000) 0.882 9.189 ( 4.177 -0.435 0.000) 4.200 9.545 ( 0.998 -0.168 0.000) 1.012 9.916 ( 3.730 2.115 0.000) 4.288 10.164 ( 4.992 -0.055 0.000) 4.992 ======================= Grid point 75 (47/147) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( -0.000 12.486 0.000) 12.486 1.765 ( -0.000 20.948 0.000) 20.948 1.929 ( 0.000 -9.055 0.000) 9.055 2.107 ( -0.000 0.478 0.000) 0.478 2.151 ( -0.000 8.774 0.000) 8.774 2.202 ( -0.000 8.750 0.000) 8.750 2.329 ( -0.000 7.184 0.000) 7.184 2.420 ( -0.000 11.811 0.000) 11.811 2.469 ( 0.000 -0.929 0.000) 0.929 2.680 ( 0.000 -5.949 0.000) 5.949 2.728 ( 0.000 -4.134 0.000) 4.134 2.732 ( 0.000 -7.827 0.000) 7.827 2.819 ( 0.000 -5.558 0.000) 5.558 3.243 ( 0.000 -4.346 0.000) 4.346 3.356 ( -0.000 3.512 0.000) 3.512 3.612 ( 0.000 -0.436 0.000) 0.436 3.647 ( 0.000 -1.444 0.000) 1.444 3.685 ( 0.000 -1.105 0.000) 1.105 3.765 ( 0.000 -1.397 0.000) 1.397 4.029 ( 0.000 -2.703 0.000) 2.703 4.075 ( -0.000 0.918 0.000) 0.918 4.094 ( -0.000 2.992 0.000) 2.992 4.359 ( 0.000 -16.733 0.000) 16.733 4.529 ( -0.000 0.392 0.000) 0.392 4.911 ( -0.000 1.814 0.000) 1.814 5.210 ( -0.000 1.074 0.000) 1.074 6.104 ( -0.000 2.501 0.000) 2.501 6.106 ( -0.000 1.803 0.000) 1.803 6.542 ( 0.000 -2.803 0.000) 2.803 6.610 ( 0.000 -1.324 0.000) 1.324 6.870 ( 0.000 -0.653 0.000) 0.653 6.916 ( 0.000 -1.158 0.000) 1.158 7.263 ( -0.000 0.062 0.000) 0.062 7.510 ( 0.000 -4.463 0.000) 4.463 7.576 ( -0.000 2.637 0.000) 2.637 7.669 ( -0.000 0.942 0.000) 0.942 7.688 ( 0.000 -1.054 0.000) 1.054 7.804 ( -0.000 0.544 0.000) 0.544 8.009 ( 0.000 -1.273 0.000) 1.273 8.051 ( -0.000 0.530 0.000) 0.530 8.104 ( -0.000 0.522 0.000) 0.522 8.560 ( -0.000 4.404 0.000) 4.404 9.151 ( 0.000 -0.323 0.000) 0.323 9.179 ( 0.000 -5.228 0.000) 5.228 9.233 ( 0.000 -0.184 0.000) 0.184 9.558 ( 0.000 -0.219 0.000) 0.219 9.939 ( -0.000 3.368 0.000) 3.368 10.218 ( 0.000 -0.250 0.000) 0.250 ======================= Grid point 86 (48/147) ======================= q-point: (-0.54 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( -5.721 -0.000 0.000) 5.721 1.906 ( -8.134 -0.000 0.000) 8.134 2.059 ( -4.903 -0.000 0.000) 4.903 2.164 ( -4.031 -0.000 0.000) 4.031 2.247 ( -5.155 -0.000 0.000) 5.155 2.295 ( -1.159 -0.000 0.000) 1.159 2.398 ( 3.346 0.000 0.000) 3.346 2.612 ( 0.556 0.000 0.000) 0.556 2.664 ( -19.244 -0.000 0.000) 19.244 2.677 ( -23.453 -0.000 0.000) 23.453 2.702 ( -1.731 -0.000 0.000) 1.731 2.756 ( -1.893 -0.000 0.000) 1.893 2.911 ( -16.668 -0.000 0.000) 16.668 3.250 ( -4.767 -0.000 0.000) 4.767 3.429 ( 1.225 0.000 0.000) 1.225 3.609 ( -0.347 -0.000 0.000) 0.347 3.611 ( -0.348 -0.000 0.000) 0.348 3.729 ( -4.478 -0.000 0.000) 4.478 3.856 ( -6.899 -0.000 0.000) 6.899 3.990 ( 1.134 0.000 0.000) 1.134 4.114 ( 0.198 0.000 0.000) 0.198 4.154 ( -6.021 -0.000 0.000) 6.021 4.158 ( -1.799 -0.000 0.000) 1.799 4.485 ( 4.992 0.000 0.000) 4.992 4.917 ( 1.917 0.000 0.000) 1.917 5.163 ( 4.650 0.000 0.000) 4.650 6.311 ( -16.821 -0.000 0.000) 16.821 6.341 ( -18.562 -0.000 0.000) 18.562 6.561 ( -3.987 -0.000 0.000) 3.987 6.636 ( -3.479 -0.000 0.000) 3.479 6.929 ( -6.964 -0.000 0.000) 6.964 6.969 ( -6.804 -0.000 0.000) 6.804 7.238 ( 1.767 0.000 0.000) 1.767 7.446 ( 2.182 0.000 0.000) 2.182 7.608 ( 0.826 0.000 0.000) 0.826 7.635 ( 3.551 0.000 0.000) 3.551 7.660 ( 1.502 0.000 0.000) 1.502 7.749 ( 4.951 0.000 0.000) 4.951 7.908 ( 5.233 0.000 0.000) 5.233 8.169 ( -7.458 -0.000 0.000) 7.458 8.188 ( -7.053 -0.000 0.000) 7.053 8.508 ( 9.064 0.000 0.000) 9.064 9.023 ( 10.303 0.000 0.000) 10.303 9.140 ( 0.823 0.000 0.000) 0.823 9.187 ( 4.416 0.000 0.000) 4.416 9.544 ( 0.998 0.000 0.000) 0.998 9.928 ( 3.863 0.000 0.000) 3.863 10.163 ( 4.972 0.000 0.000) 4.972 ======================= Grid point 88 (49/147) ======================= q-point: (-0.46 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -0.000 4.744 0.000) 4.744 1.837 ( 0.000 -4.938 0.000) 4.938 1.961 ( -0.000 12.196 0.000) 12.196 2.089 ( 0.000 -3.727 0.000) 3.727 2.221 ( -0.000 3.545 0.000) 3.545 2.279 ( -0.000 3.867 0.000) 3.867 2.403 ( -0.000 4.010 0.000) 4.010 2.463 ( 0.000 -0.081 0.000) 0.081 2.501 ( -0.000 2.419 0.000) 2.419 2.625 ( 0.000 -2.899 0.000) 2.899 2.657 ( 0.000 -4.098 0.000) 4.098 2.690 ( 0.000 -2.038 0.000) 2.038 2.768 ( 0.000 -2.532 0.000) 2.532 3.206 ( 0.000 -1.703 0.000) 1.703 3.428 ( -0.000 6.088 0.000) 6.088 3.608 ( 0.000 -0.156 0.000) 0.156 3.637 ( 0.000 -0.454 0.000) 0.454 3.676 ( 0.000 -0.435 0.000) 0.435 3.753 ( 0.000 -0.789 0.000) 0.789 4.008 ( 0.000 -0.894 0.000) 0.894 4.089 ( -0.000 1.783 0.000) 1.783 4.115 ( -0.000 0.757 0.000) 0.757 4.189 ( 0.000 -10.629 0.000) 10.629 4.537 ( -0.000 0.572 0.000) 0.572 4.934 ( -0.000 1.442 0.000) 1.442 5.213 ( 0.000 -0.117 0.000) 0.117 6.120 ( -0.000 0.662 0.000) 0.662 6.125 ( -0.000 0.972 0.000) 0.972 6.519 ( 0.000 -1.022 0.000) 1.022 6.600 ( 0.000 -0.421 0.000) 0.421 6.864 ( 0.000 -0.303 0.000) 0.303 6.906 ( 0.000 -0.473 0.000) 0.473 7.258 ( 0.000 -0.459 0.000) 0.459 7.474 ( 0.000 -1.608 0.000) 1.608 7.604 ( -0.000 1.678 0.000) 1.678 7.677 ( 0.000 -0.686 0.000) 0.686 7.679 ( -0.000 0.584 0.000) 0.584 7.807 ( -0.000 0.064 0.000) 0.064 7.997 ( 0.000 -0.590 0.000) 0.590 8.055 ( -0.000 0.188 0.000) 0.188 8.108 ( -0.000 0.188 0.000) 0.188 8.596 ( -0.000 1.677 0.000) 1.677 9.135 ( 0.000 -2.098 0.000) 2.098 9.148 ( 0.000 -0.119 0.000) 0.119 9.232 ( 0.000 -0.026 0.000) 0.026 9.557 ( 0.000 -0.078 0.000) 0.078 9.965 ( -0.000 1.206 0.000) 1.206 10.216 ( 0.000 -0.054 0.000) 0.054 ======================= Grid point 175 (50/147) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.428 ( 0.000 0.000 23.022) 23.022 0.536 ( 0.000 0.000 28.416) 28.416 0.960 ( 0.000 0.000 42.449) 42.449 1.215 ( 0.000 0.000 -4.186) 4.186 1.472 ( 0.000 0.000 -21.060) 21.060 2.171 ( 0.000 0.000 12.012) 12.012 2.480 ( 0.000 0.000 -4.321) 4.321 2.547 ( 0.000 0.000 6.148) 6.148 2.609 ( 0.000 0.000 -27.227) 27.227 2.815 ( 0.000 0.000 -8.070) 8.070 2.939 ( 0.000 0.000 0.915) 0.915 2.977 ( 0.000 0.000 -0.746) 0.746 3.111 ( 0.000 0.000 -0.183) 0.183 3.198 ( 0.000 0.000 -1.048) 1.048 3.614 ( 0.000 0.000 8.653) 8.653 3.679 ( 0.000 0.000 -0.072) 0.072 3.705 ( 0.000 0.000 3.320) 3.320 3.743 ( 0.000 0.000 0.411) 0.411 3.763 ( 0.000 0.000 -0.413) 0.413 3.886 ( 0.000 0.000 -1.683) 1.683 4.275 ( 0.000 0.000 -2.245) 2.245 4.383 ( 0.000 0.000 -6.577) 6.577 4.594 ( 0.000 0.000 3.712) 3.712 4.683 ( 0.000 0.000 0.469) 0.469 4.899 ( 0.000 0.000 9.070) 9.070 5.197 ( 0.000 0.000 -5.126) 5.126 5.979 ( 0.000 0.000 0.376) 0.376 5.997 ( 0.000 0.000 -0.372) 0.372 6.741 ( 0.000 0.000 -0.060) 0.060 6.745 ( 0.000 0.000 -0.194) 0.194 6.865 ( 0.000 0.000 1.484) 1.484 6.927 ( 0.000 0.000 -1.215) 1.215 7.051 ( 0.000 0.000 0.842) 0.842 7.098 ( 0.000 0.000 -1.112) 1.112 7.662 ( 0.000 0.000 3.083) 3.083 7.737 ( 0.000 0.000 0.075) 0.075 7.755 ( 0.000 0.000 4.163) 4.163 7.994 ( 0.000 0.000 -5.517) 5.517 8.024 ( 0.000 0.000 0.813) 0.813 8.062 ( 0.000 0.000 -0.823) 0.823 8.071 ( 0.000 0.000 -0.401) 0.401 8.143 ( 0.000 0.000 -4.683) 4.683 9.225 ( 0.000 0.000 5.816) 5.816 9.361 ( 0.000 0.000 7.364) 7.364 9.498 ( 0.000 0.000 -6.621) 6.621 9.613 ( 0.000 0.000 -3.181) 3.181 10.051 ( 0.000 0.000 2.051) 2.051 10.140 ( 0.000 0.000 -1.740) 1.740 ======================= Grid point 176 (51/147) ======================= q-point: ( 0.08 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( 26.771 -3.184 11.781) 29.422 0.930 ( 19.101 -4.454 24.106) 31.077 1.311 ( 19.328 -5.731 -5.420) 20.876 1.457 ( 34.490 -8.847 24.537) 43.242 1.724 ( 19.746 -2.858 -17.876) 26.788 2.293 ( 10.453 -0.540 10.123) 14.562 2.466 ( 3.006 6.825 -1.890) 7.693 2.652 ( 10.187 2.340 -13.624) 17.171 2.718 ( 8.500 -3.988 -4.361) 10.353 2.837 ( 2.116 -2.617 -3.457) 4.825 2.904 ( -2.623 1.479 3.393) 4.536 3.021 ( 5.039 -0.350 -9.409) 10.679 3.175 ( 6.310 0.685 1.802) 6.598 3.221 ( 6.789 0.916 2.391) 7.256 3.587 ( -0.495 7.594 6.031) 9.710 3.652 ( -0.796 0.833 0.394) 1.218 3.701 ( -2.447 -6.978 1.818) 7.614 3.740 ( -0.264 0.525 0.967) 1.131 3.786 ( 1.954 0.620 -0.254) 2.066 3.850 ( -2.113 -0.270 -3.593) 4.177 4.192 ( -2.583 0.684 1.917) 3.289 4.336 ( -1.714 7.017 -5.759) 9.239 4.608 ( 1.131 -1.659 3.838) 4.332 4.691 ( -0.466 -2.727 0.237) 2.776 4.844 ( -5.586 -1.627 8.616) 10.396 5.126 ( -6.196 2.435 -4.929) 8.284 6.278 ( 24.486 0.003 1.747) 24.548 6.582 ( 23.649 5.054 -15.980) 28.986 6.760 ( 1.575 1.420 -0.438) 2.166 6.772 ( 1.370 2.385 -2.989) 4.062 6.847 ( -0.007 0.884 0.343) 0.949 6.899 ( 3.993 -5.919 -5.321) 8.904 7.155 ( 8.539 1.470 1.671) 8.824 7.269 ( 11.829 -6.357 -8.664) 15.981 7.619 ( -3.356 0.717 3.040) 4.584 7.679 ( -5.367 0.772 0.726) 5.470 7.729 ( -2.557 0.222 2.678) 3.709 7.904 ( -5.545 4.011 -4.140) 7.999 8.005 ( -5.332 0.158 -0.165) 5.336 8.077 ( -2.103 -1.487 -2.682) 3.718 8.107 ( 6.984 -0.654 1.908) 7.269 8.204 ( 6.186 -1.242 -3.612) 7.270 9.207 ( -1.804 0.430 5.706) 6.000 9.349 ( -0.208 2.326 6.152) 6.580 9.485 ( -1.604 -0.782 -6.333) 6.580 9.523 ( -7.769 2.046 3.753) 8.868 9.819 ( -9.974 1.047 11.690) 15.403 10.075 ( -6.730 -1.583 -3.174) 7.607 ======================= Grid point 177 (52/147) ======================= q-point: ( 0.15 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 19.747 -3.385 15.984) 25.630 1.361 ( 27.775 -1.396 4.979) 28.252 1.709 ( 19.894 -5.343 -4.566) 21.099 2.093 ( 14.404 -2.477 -15.374) 21.212 2.290 ( 34.171 -5.756 10.422) 36.185 2.494 ( 8.942 -2.346 5.238) 10.625 2.537 ( 6.972 5.275 -2.956) 9.229 2.804 ( 2.980 0.496 -1.788) 3.510 2.840 ( 3.354 -1.301 2.473) 4.365 2.954 ( 8.935 0.060 2.144) 9.189 3.070 ( 20.799 0.610 0.927) 20.829 3.194 ( 8.387 -2.039 -6.089) 10.563 3.342 ( 12.906 1.987 -2.336) 13.265 3.413 ( 11.299 0.407 0.532) 11.319 3.543 ( 0.970 6.620 1.010) 6.766 3.641 ( -0.276 0.418 -0.209) 0.543 3.713 ( 1.157 -4.726 -0.669) 4.911 3.735 ( 1.119 -0.455 2.025) 2.358 3.812 ( -0.302 0.437 -4.136) 4.170 3.832 ( 1.931 -0.539 -3.037) 3.639 4.163 ( -0.029 2.033 0.125) 2.037 4.272 ( -0.661 5.076 -5.245) 7.329 4.630 ( -5.106 3.260 7.240) 9.441 4.673 ( 2.842 -1.098 4.095) 5.104 4.753 ( -4.354 -5.096 2.621) 7.197 4.950 ( -9.203 1.673 -4.565) 10.409 6.706 ( 6.816 1.906 0.176) 7.080 6.748 ( 0.239 0.857 -2.125) 2.304 6.758 ( 4.454 -0.641 -0.168) 4.503 6.777 ( 3.121 -0.969 -0.116) 3.269 6.938 ( 14.183 -2.051 3.893) 14.850 7.145 ( 12.255 -0.826 -6.381) 13.841 7.330 ( 9.548 1.293 2.263) 9.898 7.495 ( 2.518 0.503 -4.085) 4.824 7.535 ( -4.491 -0.379 0.045) 4.507 7.567 ( 0.180 -0.031 -2.749) 2.755 7.656 ( -4.358 0.709 1.049) 4.538 7.754 ( -6.514 5.164 -1.561) 8.458 7.877 ( -7.564 -2.115 0.247) 7.858 8.006 ( -5.316 -1.450 -4.549) 7.145 8.281 ( 9.150 -0.408 1.621) 9.301 8.357 ( 8.174 0.132 -2.125) 8.447 9.144 ( -4.246 0.757 6.113) 7.481 9.328 ( -0.957 7.234 4.342) 8.491 9.365 ( -4.004 4.517 3.979) 7.230 9.456 ( -1.916 -1.091 -5.979) 6.372 9.706 ( -3.945 -2.660 5.836) 7.530 9.936 ( -7.599 -2.650 -4.104) 9.033 ======================= Grid point 178 (53/147) ======================= q-point: ( 0.23 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( 19.064 -2.393 7.490) 20.622 1.878 ( 23.913 1.693 -0.031) 23.973 2.118 ( 17.922 -2.717 -2.122) 18.250 2.329 ( 9.247 -0.905 -9.612) 13.368 2.580 ( 6.435 0.087 -2.477) 6.895 2.631 ( 4.498 1.315 -4.013) 6.169 2.825 ( 11.791 -0.068 3.484) 12.295 2.898 ( 8.679 1.894 3.458) 9.533 2.935 ( 5.549 0.517 4.909) 7.427 3.112 ( 5.907 0.007 8.560) 10.400 3.255 ( -0.051 0.521 1.272) 1.376 3.467 ( 10.636 -1.218 -0.406) 10.713 3.520 ( -0.055 1.590 -0.335) 1.626 3.548 ( 3.922 3.000 -4.277) 6.532 3.615 ( 8.435 2.743 2.276) 9.157 3.655 ( 3.143 2.697 1.103) 4.286 3.790 ( 1.746 0.902 -6.799) 7.077 3.831 ( 7.057 -0.069 -4.163) 8.193 3.889 ( 13.074 -4.680 -0.578) 13.898 3.995 ( 13.071 -3.179 -3.438) 13.885 4.175 ( 3.152 1.555 0.275) 3.525 4.279 ( 5.505 0.464 -4.220) 6.952 4.480 ( -6.750 -1.149 7.802) 10.380 4.629 ( -6.761 0.483 3.289) 7.534 4.790 ( 3.433 -0.979 -0.358) 3.588 4.828 ( -1.010 -2.807 -0.887) 3.112 6.694 ( -1.876 -1.856 -0.344) 2.662 6.738 ( -0.693 -1.979 -2.462) 3.234 6.830 ( 2.971 1.227 2.137) 3.860 6.870 ( 4.163 0.150 0.616) 4.211 7.241 ( 6.915 1.318 3.595) 7.904 7.353 ( 7.428 -1.268 -1.592) 7.702 7.370 ( -1.335 1.409 0.430) 1.988 7.456 ( -3.638 -0.290 -3.203) 4.856 7.515 ( 6.005 0.535 2.487) 6.522 7.573 ( -2.624 1.614 1.603) 3.473 7.616 ( -3.804 1.307 1.982) 4.485 7.704 ( 7.048 -0.480 -5.724) 9.093 7.764 ( -3.743 -2.049 0.464) 4.293 7.900 ( -5.301 0.346 -4.585) 7.017 8.433 ( 5.280 -0.329 1.168) 5.418 8.502 ( 6.223 0.283 -2.126) 6.582 9.036 ( -5.846 1.787 6.653) 9.035 9.187 ( -5.524 10.736 6.495) 13.710 9.312 ( -1.149 6.845 -4.094) 8.058 9.432 ( -0.927 0.170 -6.394) 6.463 9.670 ( -1.656 -3.415 5.151) 6.398 9.828 ( -5.237 -3.849 -2.830) 7.088 ======================= Grid point 179 (54/147) ======================= q-point: ( 0.31 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( 16.905 -0.641 1.335) 16.970 2.263 ( 16.157 2.686 -5.575) 17.302 2.388 ( 7.650 0.051 0.395) 7.661 2.480 ( 5.458 -1.380 -2.825) 6.299 2.733 ( 8.995 0.384 -3.847) 9.791 2.741 ( 7.812 -1.056 -3.273) 8.535 2.969 ( 5.810 4.071 2.423) 7.497 3.004 ( 3.385 3.860 2.481) 5.702 3.045 ( 5.600 2.185 5.255) 7.984 3.173 ( 2.013 1.610 13.051) 13.303 3.243 ( -0.928 1.565 -1.749) 2.524 3.431 ( -4.940 -0.425 2.000) 5.346 3.551 ( 0.515 2.608 -4.172) 4.947 3.585 ( 0.739 1.274 -1.452) 2.068 3.634 ( -0.930 6.571 -0.660) 6.669 3.741 ( 5.755 3.997 2.226) 7.352 3.816 ( 0.417 1.202 -10.523) 10.599 3.916 ( 2.926 1.375 -6.576) 7.328 4.078 ( -0.600 -1.312 0.560) 1.548 4.101 ( -0.861 -0.669 -2.827) 3.030 4.340 ( 2.500 -6.251 7.700) 10.228 4.458 ( 10.670 -1.249 5.694) 12.159 4.574 ( 6.809 -11.027 -1.180) 13.014 4.638 ( 13.473 -7.402 -0.538) 15.381 4.789 ( 1.282 0.912 2.980) 3.370 4.958 ( 9.935 -0.337 -3.361) 10.493 6.678 ( -0.440 -1.090 0.318) 1.218 6.748 ( 0.689 -1.582 -3.186) 3.623 6.879 ( 2.919 1.096 3.253) 4.506 6.949 ( 3.939 -0.532 1.372) 4.205 7.188 ( -2.818 4.127 2.380) 5.535 7.340 ( -2.890 1.794 -3.911) 5.184 7.420 ( 0.002 -0.218 -0.135) 0.257 7.430 ( -2.653 1.306 -1.018) 3.128 7.519 ( -2.118 -0.511 2.637) 3.421 7.574 ( 3.496 -1.735 0.122) 3.905 7.683 ( 4.366 -0.778 3.372) 5.571 7.747 ( 1.416 0.126 -0.624) 1.553 7.813 ( 0.559 0.351 -3.308) 3.373 7.870 ( 6.280 -1.039 -3.177) 7.114 8.479 ( -0.689 -0.187 1.461) 1.627 8.576 ( 0.614 -0.175 -3.445) 3.503 8.892 ( -6.846 4.824 6.939) 10.876 9.014 ( -5.373 9.771 8.126) 13.797 9.232 ( -2.811 5.739 -6.297) 8.972 9.407 ( -1.594 0.778 -8.875) 9.051 9.667 ( -0.574 -2.164 5.015) 5.492 9.766 ( -3.321 -2.997 -0.622) 4.517 ======================= Grid point 180 (55/147) ======================= q-point: ( 0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( 12.687 0.954 -3.089) 13.093 2.458 ( 1.614 0.356 1.149) 2.013 2.491 ( 8.046 1.806 -7.436) 11.104 2.553 ( 1.288 -2.674 -2.303) 3.757 2.893 ( 7.115 2.585 -0.803) 7.612 2.920 ( 8.114 0.838 -2.221) 8.454 2.995 ( 0.646 6.349 5.417) 8.371 3.035 ( 2.146 2.217 5.666) 6.452 3.115 ( 3.375 1.376 3.701) 5.194 3.174 ( -2.606 3.433 2.246) 4.860 3.242 ( 3.733 0.394 2.508) 4.514 3.342 ( -4.188 -1.187 4.925) 6.573 3.532 ( -0.529 3.615 -1.383) 3.907 3.552 ( -2.801 6.413 0.227) 7.002 3.585 ( 1.261 1.213 -6.394) 6.629 3.767 ( -2.516 1.576 -11.700) 12.071 3.850 ( 4.783 0.069 0.077) 4.784 3.936 ( 1.383 2.704 -4.733) 5.624 4.061 ( -0.908 -2.322 1.779) 3.063 4.080 ( -2.796 -3.962 0.202) 4.853 4.387 ( 0.648 -5.742 8.109) 9.957 4.606 ( 3.446 -6.967 0.404) 7.783 4.664 ( -3.337 -8.075 3.011) 9.241 4.810 ( 4.161 7.939 -2.364) 9.270 5.006 ( 12.830 -5.417 4.914) 14.768 5.239 ( 14.413 -4.836 -4.770) 15.933 6.697 ( 2.040 0.006 0.899) 2.230 6.776 ( 1.523 0.451 -2.840) 3.254 6.945 ( 4.221 -0.701 2.566) 4.989 7.031 ( 3.784 -0.730 1.411) 4.104 7.144 ( 0.617 4.501 2.173) 5.036 7.281 ( -2.718 2.371 -1.274) 3.825 7.384 ( 0.219 0.111 -2.295) 2.308 7.400 ( -1.461 -1.282 -1.469) 2.437 7.500 ( -0.196 -0.207 3.254) 3.267 7.610 ( -0.837 -0.833 -2.341) 2.622 7.691 ( -1.591 -0.482 2.369) 2.894 7.804 ( 3.057 0.492 -1.666) 3.516 7.890 ( 6.053 -0.126 0.744) 6.100 8.011 ( 6.857 -1.018 -3.820) 7.915 8.412 ( -5.991 0.443 1.606) 6.218 8.518 ( -5.861 1.087 -3.936) 7.143 8.727 ( -5.739 6.270 8.378) 11.935 8.881 ( -4.014 4.312 8.778) 10.572 9.151 ( -2.393 3.658 -7.062) 8.305 9.357 ( -3.033 0.122 -10.307) 10.745 9.669 ( -0.003 -0.747 4.381) 4.444 9.725 ( -2.204 -1.522 1.040) 2.873 ======================= Grid point 181 (56/147) ======================= q-point: ( 0.46 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.465 ( -0.018 0.143 1.865) 1.870 2.545 ( 2.305 0.952 -3.962) 4.682 2.575 ( 3.189 -0.272 -6.551) 7.291 2.599 ( 1.807 -0.168 -4.439) 4.795 2.930 ( -0.391 2.425 2.728) 3.671 2.981 ( 2.334 2.051 -2.354) 3.898 3.051 ( 2.446 0.808 8.631) 9.007 3.056 ( 1.275 0.356 3.228) 3.489 3.118 ( -0.687 1.457 1.082) 1.941 3.165 ( 1.263 0.811 -0.295) 1.530 3.289 ( -0.059 -0.903 4.974) 5.055 3.301 ( 0.221 -0.533 3.758) 3.802 3.463 ( -1.933 2.975 1.997) 4.071 3.524 ( 0.131 0.857 -1.117) 1.414 3.618 ( 1.967 0.214 -8.249) 8.483 3.705 ( -2.494 0.551 -12.243) 12.507 3.930 ( 2.476 -0.849 0.037) 2.618 3.952 ( 1.238 2.389 -1.244) 2.964 4.051 ( -1.086 -1.620 0.233) 1.964 4.056 ( -0.918 -1.292 0.304) 1.614 4.425 ( 0.408 -3.029 9.578) 10.054 4.612 ( -1.373 1.523 5.673) 6.032 4.704 ( -1.415 -14.296 -2.040) 14.510 4.802 ( 1.882 11.131 -6.206) 12.882 5.196 ( 4.096 -2.083 6.997) 8.371 5.467 ( 5.387 -2.399 -5.219) 7.875 6.743 ( 1.822 -0.063 1.107) 2.133 6.795 ( 0.652 0.802 -1.650) 1.947 7.048 ( 4.738 -2.400 0.671) 5.353 7.100 ( 2.828 -0.795 0.480) 2.977 7.128 ( -0.930 3.445 2.598) 4.414 7.197 ( -4.014 1.746 0.759) 4.442 7.406 ( 1.641 0.299 -2.205) 2.765 7.419 ( 1.404 -0.078 -1.647) 2.165 7.516 ( 1.545 -0.792 2.287) 2.872 7.595 ( -1.188 -1.337 -1.037) 2.067 7.648 ( -2.146 -0.340 2.262) 3.136 7.824 ( -0.302 0.629 -4.444) 4.498 8.033 ( 8.041 -0.138 1.122) 8.121 8.137 ( 3.134 0.032 -4.241) 5.273 8.271 ( -4.645 0.197 2.065) 5.087 8.365 ( -7.920 1.495 -3.457) 8.770 8.627 ( -1.625 2.369 10.265) 10.659 8.803 ( -2.058 0.936 8.387) 8.686 9.104 ( -0.826 1.265 -7.565) 7.714 9.304 ( -1.757 -0.072 -10.507) 10.654 9.675 ( 0.298 -0.030 3.556) 3.568 9.699 ( -0.988 -0.518 1.936) 2.235 ======================= Grid point 189 (57/147) ======================= q-point: ( 0.08 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( 20.143 0.000 16.832) 26.251 1.356 ( 29.262 0.000 4.382) 29.588 1.678 ( 21.152 0.000 -4.301) 21.585 2.078 ( 14.983 0.000 -15.904) 21.850 2.251 ( 38.825 0.000 13.257) 41.026 2.481 ( 6.970 0.000 4.761) 8.441 2.575 ( 4.996 0.000 -2.266) 5.486 2.802 ( 7.215 0.000 -6.577) 9.763 2.833 ( 0.653 0.000 5.058) 5.100 2.955 ( 8.669 0.000 1.697) 8.833 3.075 ( 20.133 0.000 0.795) 20.148 3.181 ( 9.303 0.000 -6.354) 11.265 3.353 ( 13.078 0.000 -3.058) 13.431 3.414 ( 11.226 0.000 0.758) 11.252 3.610 ( -2.874 -0.000 0.427) 2.905 3.626 ( -0.949 -0.000 1.144) 1.486 3.669 ( 5.680 0.000 0.255) 5.686 3.738 ( 0.381 0.000 1.978) 2.015 3.813 ( -1.412 -0.000 -6.386) 6.540 3.831 ( 2.519 0.000 -1.195) 2.788 4.175 ( 0.043 0.000 0.620) 0.622 4.303 ( -2.777 -0.000 -5.816) 6.445 4.640 ( -1.061 -0.000 6.334) 6.422 4.690 ( 0.399 0.000 2.551) 2.582 4.705 ( -3.860 -0.000 5.622) 6.819 4.961 ( -10.600 -0.000 -4.835) 11.650 6.726 ( -3.132 -0.000 -0.622) 3.193 6.739 ( 12.071 0.000 -0.322) 12.076 6.757 ( -0.396 -0.000 -1.298) 1.357 6.772 ( 4.229 0.000 0.194) 4.234 6.927 ( 14.492 0.000 3.749) 14.969 7.140 ( 12.370 0.000 -6.945) 14.186 7.338 ( 9.257 0.000 1.743) 9.419 7.495 ( 7.495 0.000 -5.309) 9.185 7.536 ( -8.584 -0.000 1.449) 8.706 7.567 ( 0.072 0.000 -2.640) 2.641 7.659 ( -4.224 -0.000 1.453) 4.467 7.793 ( -6.849 -0.000 -3.591) 7.734 7.857 ( -8.323 -0.000 1.361) 8.433 7.997 ( -4.652 -0.000 -4.471) 6.452 8.279 ( 9.271 0.000 1.702) 9.426 8.358 ( 8.408 0.000 -2.184) 8.687 9.147 ( -4.299 -0.000 6.289) 7.618 9.378 ( 2.385 0.000 3.483) 4.221 9.392 ( -5.238 -0.000 5.865) 7.863 9.445 ( -2.501 -0.000 -6.954) 7.390 9.689 ( -4.269 -0.000 5.830) 7.226 9.919 ( -7.983 -0.000 -3.948) 8.906 ======================= Grid point 190 (58/147) ======================= q-point: ( 0.15 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 20.011 -0.847 8.101) 21.605 1.895 ( 24.713 0.879 -0.765) 24.740 2.096 ( 19.550 -0.953 -1.700) 19.647 2.319 ( 9.858 -0.534 -10.938) 14.735 2.580 ( 4.926 -0.015 -1.188) 5.068 2.641 ( 2.479 0.304 -3.762) 4.516 2.823 ( 17.223 -0.272 4.611) 17.832 2.913 ( 8.159 0.711 7.738) 11.268 2.942 ( 6.246 0.460 -0.371) 6.274 3.109 ( 6.435 -0.300 6.697) 9.292 3.260 ( 0.333 0.286 3.578) 3.605 3.458 ( 10.569 -0.409 -0.269) 10.580 3.532 ( -0.824 0.526 0.020) 0.978 3.567 ( 1.859 0.686 -4.265) 4.703 3.641 ( 8.913 1.369 2.726) 9.420 3.674 ( 7.103 0.718 -0.689) 7.172 3.801 ( 1.303 0.527 -8.489) 8.604 3.832 ( 6.700 0.202 -4.955) 8.335 3.852 ( 13.932 -1.733 1.134) 14.085 3.971 ( 14.030 -1.013 -2.505) 14.287 4.191 ( 2.302 0.915 0.067) 2.478 4.282 ( 3.348 0.126 -3.576) 4.900 4.469 ( -10.419 -0.599 7.229) 12.696 4.633 ( -9.305 0.096 2.062) 9.531 4.787 ( 1.916 0.472 -0.033) 1.974 4.801 ( 2.503 -1.786 0.075) 3.076 6.678 ( -1.758 -0.768 -0.346) 1.949 6.721 ( -0.881 -0.823 -2.489) 2.766 6.840 ( 3.017 0.494 1.936) 3.619 6.871 ( 3.959 0.028 0.894) 4.059 7.253 ( 9.962 0.529 3.361) 10.527 7.338 ( 7.488 -0.770 -1.177) 7.619 7.384 ( -2.660 0.701 -0.271) 2.764 7.455 ( -5.318 0.006 -2.327) 5.805 7.520 ( 8.136 0.323 2.986) 8.672 7.576 ( -3.236 -0.368 1.909) 3.775 7.644 ( -6.736 2.336 -0.835) 7.179 7.700 ( 6.083 -0.193 -5.237) 8.029 7.739 ( -2.152 -1.833 1.486) 3.194 7.903 ( -4.585 0.183 -4.732) 6.592 8.430 ( 5.349 -0.110 1.282) 5.502 8.505 ( 5.960 0.096 -2.198) 6.353 9.046 ( -5.753 0.297 7.212) 9.230 9.283 ( -5.195 4.733 4.928) 8.583 9.375 ( -2.663 3.601 -6.623) 7.995 9.432 ( 1.116 -0.243 -2.277) 2.548 9.639 ( -1.369 -1.620 4.707) 5.163 9.788 ( -5.428 -2.293 -3.058) 6.639 ======================= Grid point 191 (59/147) ======================= q-point: ( 0.23 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( 17.781 -0.345 1.601) 17.856 2.289 ( 15.722 1.722 -6.972) 17.284 2.388 ( 8.256 0.021 0.327) 8.263 2.466 ( 4.584 -0.926 -2.749) 5.425 2.728 ( 9.760 -0.496 -3.957) 10.543 2.734 ( 8.390 -0.531 -2.907) 8.896 3.011 ( 5.907 3.128 2.312) 7.073 3.041 ( 4.773 1.923 0.638) 5.186 3.063 ( 4.910 1.025 6.636) 8.318 3.186 ( 1.752 0.727 14.244) 14.369 3.258 ( 0.321 1.122 -1.007) 1.542 3.425 ( -5.184 -0.567 1.503) 5.427 3.567 ( 0.141 0.703 -4.607) 4.662 3.588 ( 1.950 -0.232 -0.898) 2.159 3.708 ( 0.251 5.507 -1.483) 5.709 3.773 ( 3.865 0.445 -1.248) 4.085 3.853 ( 3.167 4.432 -7.150) 8.989 3.923 ( 3.499 0.108 -4.697) 5.857 4.069 ( -0.485 0.749 1.372) 1.637 4.127 ( -0.898 4.049 -3.637) 5.516 4.270 ( -1.385 -4.941 6.096) 7.968 4.428 ( 5.005 -11.829 1.499) 12.931 4.449 ( 5.300 -1.600 3.259) 6.424 4.577 ( 18.190 -3.462 -1.662) 18.591 4.802 ( 2.610 0.990 3.661) 4.604 4.956 ( 8.830 -0.113 -2.762) 9.253 6.669 ( 0.374 -0.586 0.084) 0.700 6.733 ( 1.489 -1.055 -3.145) 3.636 6.890 ( 2.496 0.764 3.296) 4.205 6.943 ( 3.511 -0.508 2.143) 4.145 7.235 ( -1.854 3.592 1.334) 4.257 7.353 ( -3.302 0.275 -3.602) 4.894 7.402 ( -1.755 -1.450 0.331) 2.300 7.454 ( -1.740 1.584 -1.934) 3.046 7.520 ( -1.082 0.721 2.693) 2.990 7.554 ( 2.125 -1.656 0.802) 2.811 7.674 ( 4.768 -0.697 3.239) 5.806 7.739 ( 2.713 -0.916 -0.694) 2.946 7.826 ( 0.047 1.426 -3.258) 3.557 7.859 ( 5.926 -0.903 -3.063) 6.732 8.477 ( -0.612 -0.124 1.542) 1.664 8.574 ( 0.741 -0.100 -3.297) 3.381 8.920 ( -6.549 1.070 8.358) 10.672 9.123 ( -7.109 7.681 5.821) 11.976 9.286 ( -4.066 3.219 -7.564) 9.171 9.421 ( -1.751 1.618 -6.649) 7.064 9.643 ( 0.343 -1.770 4.423) 4.776 9.730 ( -2.514 -2.906 -0.538) 3.880 ======================= Grid point 192 (60/147) ======================= q-point: ( 0.31 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( 13.407 0.772 -3.531) 13.886 2.460 ( 1.211 0.071 1.061) 1.612 2.507 ( 7.489 0.848 -8.857) 11.630 2.528 ( 1.579 -1.548 -2.251) 3.155 2.914 ( 7.421 1.283 -0.531) 7.550 2.926 ( 9.004 0.278 -1.252) 9.095 3.060 ( 1.541 2.136 5.154) 5.788 3.067 ( -0.115 5.433 4.470) 7.036 3.127 ( 2.961 0.699 3.505) 4.641 3.207 ( -1.107 1.865 6.051) 6.428 3.249 ( 1.704 1.125 1.433) 2.495 3.328 ( -4.718 -1.176 4.255) 6.461 3.565 ( -0.413 1.768 -4.250) 4.621 3.594 ( -0.749 1.171 -2.556) 2.910 3.637 ( -3.130 7.127 -2.133) 8.071 3.789 ( -4.139 1.018 -9.519) 10.430 3.864 ( 4.883 3.474 1.515) 6.181 3.969 ( 2.016 2.256 -4.343) 5.293 4.043 ( -2.376 -1.618 0.440) 2.908 4.049 ( -0.597 0.650 1.209) 1.497 4.295 ( -0.672 -9.270 2.494) 9.623 4.426 ( -2.587 -17.523 -2.285) 17.859 4.683 ( 3.565 4.287 9.854) 11.322 4.898 ( 8.884 7.023 -2.285) 11.552 4.946 ( 13.819 -4.839 4.231) 15.241 5.180 ( 12.700 -5.203 -4.966) 14.596 6.699 ( 2.539 0.324 0.507) 2.609 6.782 ( 2.787 0.457 -3.477) 4.479 6.938 ( 2.751 -0.571 3.648) 4.605 7.020 ( 3.686 -0.991 2.435) 4.528 7.200 ( 0.363 5.012 0.852) 5.097 7.309 ( -3.019 2.415 -1.308) 4.081 7.360 ( -0.560 -3.198 -1.367) 3.523 7.391 ( -1.211 -1.232 -1.851) 2.532 7.510 ( -0.097 1.834 2.851) 3.392 7.596 ( -0.595 -1.577 -1.221) 2.081 7.686 ( -1.998 -0.294 1.968) 2.820 7.806 ( 2.953 -0.058 -2.490) 3.863 7.893 ( 6.455 0.418 0.907) 6.532 8.000 ( 7.119 -0.778 -3.406) 7.930 8.414 ( -5.661 0.055 1.768) 5.931 8.527 ( -5.288 0.573 -4.251) 6.809 8.778 ( -6.646 2.652 9.331) 11.759 8.940 ( -6.822 5.344 7.747) 11.624 9.189 ( -3.695 2.767 -7.741) 9.013 9.360 ( -3.385 0.464 -9.439) 10.038 9.661 ( 0.655 -0.677 3.792) 3.907 9.706 ( -1.488 -1.698 1.276) 2.593 ======================= Grid point 193 (61/147) ======================= q-point: ( 0.38 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.466 ( -0.143 0.004 1.737) 1.743 2.548 ( 0.938 -0.311 -2.690) 2.866 2.579 ( 3.680 0.873 -7.375) 8.288 2.603 ( 3.227 0.684 -6.969) 7.711 2.963 ( -1.683 3.154 3.844) 5.249 3.005 ( -0.488 2.227 -1.230) 2.590 3.049 ( 2.264 -0.337 3.966) 4.580 3.073 ( 0.365 1.576 8.249) 8.406 3.139 ( -2.421 2.112 0.478) 3.248 3.173 ( 0.711 0.582 -0.361) 0.987 3.272 ( -0.760 -1.785 7.240) 7.496 3.294 ( 1.202 -0.756 2.286) 2.691 3.498 ( -4.482 3.054 1.009) 5.516 3.532 ( -1.578 0.652 -0.825) 1.897 3.621 ( 1.637 0.277 -8.670) 8.827 3.707 ( -3.430 -0.256 -10.799) 11.334 3.935 ( 2.721 1.830 0.842) 3.385 3.989 ( 0.783 3.892 -1.275) 4.170 4.038 ( 1.425 -0.511 -0.028) 1.514 4.044 ( -0.057 -0.833 -0.086) 0.840 4.342 ( -0.090 -9.659 4.209) 10.536 4.501 ( -0.148 -17.175 -1.743) 17.264 4.674 ( 0.373 6.095 9.055) 10.922 4.950 ( 3.297 12.173 -5.247) 13.659 5.174 ( 6.557 -1.413 6.438) 9.297 5.426 ( 7.212 -4.635 -4.945) 9.897 6.749 ( 2.316 1.060 0.639) 2.626 6.812 ( 0.658 2.058 -2.008) 2.950 7.015 ( 3.584 -3.338 1.701) 5.185 7.086 ( 2.397 -1.533 1.731) 3.330 7.164 ( -2.340 2.715 1.363) 3.835 7.211 ( -5.068 0.776 0.447) 5.146 7.397 ( 2.079 -1.079 -1.636) 2.857 7.432 ( 2.307 1.484 -2.398) 3.644 7.512 ( 1.921 0.114 1.979) 2.760 7.578 ( -0.702 -1.591 -0.930) 1.973 7.642 ( -2.326 -0.652 2.875) 3.755 7.831 ( -0.315 0.577 -4.511) 4.559 8.032 ( 7.415 -0.035 1.118) 7.499 8.135 ( 4.411 -0.234 -4.255) 6.134 8.273 ( -6.260 0.087 2.286) 6.665 8.381 ( -8.064 1.221 -3.735) 8.970 8.652 ( -4.117 1.823 10.206) 11.155 8.818 ( -3.320 1.434 8.518) 9.254 9.118 ( -2.250 1.103 -7.824) 8.216 9.304 ( -1.689 0.055 -10.278) 10.416 9.675 ( 0.437 -0.031 3.285) 3.314 9.692 ( -0.449 -0.670 2.082) 2.233 ======================= Grid point 194 (62/147) ======================= q-point: (-0.54 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.463 ( -0.244 -0.254 1.990) 2.021 2.531 ( -3.719 -1.322 -4.508) 5.992 2.584 ( -3.955 1.251 -5.994) 7.289 2.608 ( 0.213 1.166 -3.213) 3.425 2.908 ( -1.815 -1.263 1.538) 2.693 2.958 ( -5.004 -1.888 -2.542) 5.921 3.038 ( -2.798 -0.788 9.096) 9.549 3.058 ( -2.048 0.222 2.824) 3.496 3.104 ( -0.768 -0.989 1.901) 2.276 3.154 ( -1.868 -1.060 -0.017) 2.148 3.291 ( -1.474 -0.243 1.438) 2.074 3.308 ( 2.347 0.504 6.092) 6.548 3.432 ( -1.051 -2.219 2.712) 3.658 3.514 ( -1.108 -0.753 -1.461) 1.983 3.615 ( -2.425 -0.256 -8.260) 8.612 3.695 ( 2.148 -1.032 -12.835) 13.055 3.935 ( -1.887 -0.545 -0.342) 1.994 3.949 ( -2.614 2.065 -1.227) 3.550 4.072 ( 1.914 1.668 0.843) 2.676 4.077 ( 3.645 2.763 0.585) 4.611 4.394 ( 0.125 -6.607 7.773) 10.202 4.610 ( 2.494 -9.453 1.168) 9.846 4.661 ( 0.918 1.172 3.801) 4.082 4.908 ( 0.843 15.168 -5.756) 16.246 5.220 ( -1.786 2.070 6.790) 7.320 5.481 ( -3.275 0.156 -5.096) 6.060 6.753 ( -1.569 1.601 0.903) 2.416 6.793 ( -1.147 0.475 -1.625) 2.045 7.070 ( -5.239 1.178 -0.131) 5.372 7.082 ( 0.043 -3.984 2.498) 4.703 7.107 ( -3.243 0.009 1.260) 3.479 7.171 ( 3.236 -2.691 1.079) 4.345 7.395 ( -2.206 -0.928 -1.570) 2.862 7.430 ( -0.881 1.256 -2.504) 2.937 7.530 ( -0.952 1.506 2.467) 3.043 7.607 ( 2.228 0.860 -0.773) 2.511 7.648 ( 2.368 -0.326 1.850) 3.023 7.817 ( -0.159 -0.455 -4.386) 4.412 8.035 ( -8.564 0.223 1.168) 8.646 8.134 ( -1.657 -0.524 -3.828) 4.204 8.269 ( 2.206 -0.124 1.676) 2.773 8.348 ( 7.753 -1.403 -3.241) 8.519 8.601 ( -1.139 -2.118 10.055) 10.339 8.796 ( 1.123 -0.381 8.108) 8.194 9.090 ( -0.528 -1.097 -7.294) 7.395 9.305 ( 1.844 0.174 -10.569) 10.730 9.675 ( -0.123 -0.029 3.755) 3.757 9.703 ( 1.359 0.288 1.849) 2.313 ======================= Grid point 195 (63/147) ======================= q-point: (-0.46 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( -11.940 -0.846 -2.534) 12.235 2.451 ( -2.830 -0.878 0.016) 2.963 2.469 ( -7.612 -1.911 -3.760) 8.702 2.586 ( -1.582 2.920 -3.297) 4.679 2.849 ( -7.771 -5.089 -0.710) 9.317 2.898 ( -3.387 -3.069 -3.040) 5.489 2.945 ( -4.656 -1.734 6.534) 8.209 3.011 ( -2.840 -1.853 5.526) 6.484 3.096 ( -4.213 -1.835 3.079) 5.531 3.133 ( 1.578 -3.540 1.916) 4.323 3.237 ( -3.942 -0.441 0.787) 4.044 3.353 ( 3.100 0.549 5.421) 6.269 3.482 ( 2.669 -5.252 0.456) 5.909 3.495 ( -1.250 -2.652 -1.152) 3.150 3.575 ( -1.466 -0.698 -7.046) 7.230 3.756 ( 2.694 -0.721 -13.146) 13.438 3.852 ( -4.977 0.490 0.094) 5.001 3.914 ( -1.490 -1.026 -3.976) 4.368 4.090 ( 1.209 2.610 2.561) 3.851 4.132 ( 3.625 5.043 -0.543) 6.234 4.412 ( -0.396 -1.253 10.410) 10.493 4.629 ( -3.105 2.537 5.154) 6.530 4.715 ( 0.746 -8.038 -2.092) 8.339 4.835 ( 1.420 15.014 -3.526) 15.488 5.068 ( -11.666 5.345 4.877) 13.728 5.290 ( -14.485 3.956 -4.583) 15.699 6.700 ( -1.822 0.633 1.137) 2.239 6.773 ( -0.701 -0.084 -2.369) 2.472 6.953 ( -5.302 0.503 1.561) 5.550 7.032 ( -3.989 -0.664 -0.376) 4.062 7.100 ( -0.229 -3.021 4.363) 5.311 7.254 ( 3.025 -2.303 -0.939) 3.916 7.365 ( -1.181 -2.316 -1.278) 2.897 7.418 ( 1.019 1.269 -2.790) 3.229 7.511 ( 0.404 1.562 2.616) 3.074 7.617 ( 0.598 0.388 -2.640) 2.734 7.697 ( 1.193 0.481 2.476) 2.790 7.794 ( -3.703 -1.071 -0.789) 3.934 7.896 ( -4.854 0.839 0.597) 4.962 8.023 ( -6.455 0.969 -4.332) 7.834 8.401 ( 6.587 -1.638 1.773) 7.016 8.502 ( 6.248 -1.485 -3.206) 7.178 8.643 ( 2.732 -7.541 7.821) 11.203 8.843 ( 2.418 -2.557 8.085) 8.818 9.110 ( 1.139 -3.253 -6.078) 6.987 9.357 ( 2.934 0.166 -10.740) 11.134 9.677 ( 0.531 0.555 4.795) 4.856 9.739 ( 2.644 0.931 0.966) 2.965 ======================= Grid point 196 (64/147) ======================= q-point: (-0.38 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( -15.613 0.895 1.013) 15.672 2.231 ( -16.181 -2.649 -3.963) 16.868 2.387 ( -6.594 0.054 0.439) 6.609 2.495 ( -6.657 1.190 -3.431) 7.584 2.711 ( -8.412 -3.354 -2.328) 9.351 2.756 ( -7.436 1.400 -3.796) 8.465 2.922 ( -3.941 -3.949 2.390) 6.070 2.963 ( -3.261 -3.030 3.589) 5.718 3.014 ( -6.014 -3.105 5.041) 8.439 3.145 ( -2.622 -3.568 9.981) 10.919 3.221 ( 2.058 -1.990 -2.016) 3.501 3.431 ( 4.289 -0.697 2.898) 5.223 3.499 ( -0.925 -5.458 -1.547) 5.747 3.549 ( 0.011 -4.797 -2.702) 5.505 3.584 ( 1.752 -1.703 -1.641) 2.944 3.720 ( -6.250 0.471 0.025) 6.268 3.810 ( -0.134 -0.434 -9.663) 9.673 3.895 ( -1.764 -1.917 -7.071) 7.535 4.092 ( 0.320 1.593 0.921) 1.868 4.134 ( -1.516 3.871 -2.210) 4.708 4.404 ( -1.637 4.719 8.522) 9.878 4.477 ( -8.496 2.129 5.253) 10.213 4.668 ( -11.986 5.214 0.552) 13.083 4.726 ( -16.023 5.336 2.661) 17.096 4.808 ( 3.145 6.222 -1.253) 7.084 4.965 ( -11.890 0.921 -3.954) 12.564 6.693 ( 1.397 1.453 0.574) 2.096 6.766 ( 0.242 1.384 -2.917) 3.238 6.867 ( -3.486 -0.868 2.818) 4.566 6.952 ( -4.408 -0.297 0.172) 4.421 7.146 ( 3.488 -3.082 3.639) 5.908 7.315 ( 1.861 -2.287 -3.456) 4.543 7.385 ( 1.110 -3.800 1.114) 4.113 7.446 ( 2.106 1.669 -2.255) 3.508 7.529 ( 1.723 1.067 1.701) 2.646 7.594 ( -3.410 1.712 -0.691) 3.878 7.690 ( -4.325 0.334 3.289) 5.443 7.731 ( 0.186 -2.350 0.016) 2.357 7.823 ( -1.370 1.750 -2.653) 3.461 7.884 ( -6.812 1.310 -3.453) 7.749 8.481 ( 0.886 0.136 1.352) 1.622 8.578 ( -0.249 0.162 -3.643) 3.655 8.785 ( 5.448 -12.924 6.256) 15.358 8.933 ( 4.939 -4.708 8.929) 11.238 9.164 ( 1.581 -5.562 -5.235) 7.800 9.403 ( 1.670 -0.018 -9.905) 10.044 9.690 ( 1.376 1.747 5.395) 5.836 9.795 ( 3.782 1.919 -0.536) 4.275 ======================= Grid point 197 (65/147) ======================= q-point: (-0.31 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( -17.499 3.426 6.446) 18.960 1.864 ( -21.731 -0.462 0.532) 21.742 2.158 ( -15.050 4.129 -2.733) 15.844 2.335 ( -8.819 0.072 -7.808) 11.779 2.568 ( -8.014 -2.462 -3.432) 9.059 2.617 ( -7.241 -0.841 -4.130) 8.378 2.822 ( -6.914 -0.793 3.130) 7.630 2.874 ( -7.077 -1.825 0.436) 7.321 2.927 ( -4.754 -1.289 7.968) 9.367 3.103 ( -4.738 -1.735 10.524) 11.671 3.250 ( 0.071 -0.292 -1.666) 1.693 3.481 ( -8.056 -1.205 -2.290) 8.462 3.494 ( -2.669 -2.285 -1.409) 3.785 3.498 ( -5.357 -3.817 0.117) 6.579 3.581 ( -8.358 -3.184 2.031) 9.172 3.622 ( 0.909 -2.267 -0.048) 2.443 3.787 ( -1.867 0.370 -5.150) 5.491 3.832 ( -5.461 0.117 -4.995) 7.402 3.957 ( -13.361 6.857 -0.717) 15.035 4.038 ( -9.340 3.811 -4.326) 10.976 4.164 ( -7.133 0.210 1.429) 7.278 4.276 ( -10.558 0.191 -4.038) 11.305 4.487 ( 0.407 -0.243 8.034) 8.048 4.626 ( 6.479 0.059 4.132) 7.684 4.807 ( -4.455 1.683 -0.803) 4.830 4.864 ( 3.075 3.257 -1.634) 4.768 6.717 ( 1.587 1.948 -0.338) 2.535 6.761 ( 0.103 1.829 -2.329) 2.963 6.815 ( -2.784 -1.174 2.328) 3.814 6.867 ( -4.406 -0.454 0.152) 4.432 7.224 ( -3.023 -1.716 3.658) 5.046 7.339 ( 1.989 -2.347 0.138) 3.080 7.379 ( -8.001 1.567 -1.174) 8.237 7.462 ( 1.112 0.845 -3.632) 3.891 7.504 ( -3.133 -1.505 2.000) 4.010 7.550 ( -0.252 -1.388 2.551) 2.915 7.611 ( 1.532 -0.173 2.192) 2.680 7.712 ( -7.286 0.996 -5.461) 9.159 7.780 ( 4.162 0.656 0.178) 4.217 7.897 ( 6.347 -0.040 -4.400) 7.723 8.438 ( -5.080 0.519 0.967) 5.198 8.498 ( -6.732 -0.443 -1.949) 7.022 8.976 ( 6.152 -10.240 5.020) 12.957 9.081 ( 6.718 -5.633 8.835) 12.447 9.227 ( 0.831 -7.352 -3.866) 8.348 9.431 ( 1.505 0.070 -7.791) 7.935 9.710 ( 2.185 3.271 5.328) 6.623 9.867 ( 5.117 2.839 -2.514) 6.369 ======================= Grid point 198 (66/147) ======================= q-point: (-0.23 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( -21.921 3.685 10.728) 24.682 1.411 ( -19.786 7.496 8.464) 22.788 1.795 ( -16.695 9.221 -5.246) 19.781 2.127 ( -12.585 2.903 -14.074) 19.102 2.350 ( -21.122 3.363 3.569) 21.683 2.458 ( -10.228 -5.893 -2.841) 12.142 2.563 ( -14.248 7.861 6.701) 17.598 2.785 ( -2.044 -2.588 2.277) 4.008 2.853 ( -3.375 0.491 2.102) 4.006 2.956 ( -9.275 0.449 3.367) 9.877 3.065 ( -22.556 -0.061 0.710) 22.567 3.222 ( -6.443 2.496 -4.119) 8.044 3.308 ( -12.772 -3.771 -0.650) 13.333 3.399 ( -10.880 -2.362 0.383) 11.140 3.475 ( -3.086 -4.878 -0.718) 5.817 3.626 ( -0.956 -2.092 -1.920) 2.997 3.719 ( -0.881 -0.693 2.294) 2.553 3.784 ( 0.666 4.037 -2.623) 4.860 3.809 ( -2.190 0.866 -1.320) 2.700 3.851 ( -2.350 3.153 -4.601) 6.052 4.131 ( 0.078 -3.390 -0.857) 3.497 4.199 ( -2.650 -6.987 -4.027) 8.489 4.574 ( 4.772 -5.709 7.274) 10.405 4.705 ( -3.263 3.403 3.760) 6.031 4.800 ( 8.655 2.021 0.940) 8.937 4.935 ( 5.312 -0.065 -3.264) 6.235 6.687 ( -10.230 -1.484 0.441) 10.346 6.732 ( -4.462 -1.713 -1.243) 4.938 6.756 ( -2.432 -0.887 -0.606) 2.659 6.785 ( -3.453 -0.143 -0.820) 3.552 6.978 ( -12.280 4.789 3.778) 13.711 7.157 ( -12.116 1.244 -4.982) 13.159 7.313 ( -9.352 -1.458 3.342) 10.038 7.476 ( 4.471 -2.479 -1.394) 5.299 7.550 ( 0.480 1.690 -2.104) 2.741 7.568 ( -1.317 0.196 -3.720) 3.951 7.635 ( 4.494 -3.321 0.095) 5.589 7.700 ( 5.006 -3.188 0.463) 5.953 7.894 ( 6.609 0.720 0.545) 6.670 8.028 ( 6.698 2.311 -4.832) 8.577 8.288 ( -8.791 0.879 1.363) 8.939 8.355 ( -7.565 -0.275 -1.997) 7.829 9.122 ( 4.547 -3.668 5.284) 7.877 9.238 ( 3.428 -6.970 5.647) 9.602 9.299 ( 4.526 -6.538 2.563) 8.355 9.465 ( 2.018 0.485 -5.882) 6.238 9.744 ( 3.518 3.779 5.625) 7.635 9.969 ( 6.875 2.717 -4.181) 8.493 ======================= Grid point 199 (67/147) ======================= q-point: (-0.15 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( -20.744 10.837 12.229) 26.406 1.026 ( -15.025 11.894 21.095) 28.499 1.429 ( -14.233 13.833 -8.248) 21.493 1.636 ( -31.670 20.199 18.791) 42.001 1.788 ( -18.579 8.145 -15.307) 25.413 2.302 ( -9.896 0.179 8.478) 13.033 2.360 ( -5.431 -8.774 -4.710) 11.343 2.635 ( -13.763 -1.061 -6.156) 15.114 2.732 ( -5.825 -1.659 -1.999) 6.378 2.872 ( 2.455 -3.953 3.565) 5.862 2.885 ( 0.590 3.458 -0.852) 3.610 3.035 ( -6.716 2.170 -11.396) 13.405 3.159 ( -6.864 -2.252 2.830) 7.758 3.205 ( -7.894 -1.256 0.438) 8.005 3.492 ( 0.397 -8.101 3.424) 8.804 3.638 ( 0.395 -2.017 -0.982) 2.278 3.729 ( 0.442 -1.248 1.116) 1.732 3.765 ( -1.153 0.167 -0.652) 1.335 3.786 ( 1.039 4.310 0.554) 4.468 3.856 ( 1.837 0.613 -3.776) 4.244 4.176 ( 2.913 -2.202 1.105) 3.816 4.222 ( -0.298 -10.696 -2.290) 10.942 4.637 ( -0.571 2.398 4.089) 4.775 4.693 ( 2.778 -2.974 2.266) 4.657 4.901 ( 5.092 7.669 3.647) 9.902 5.074 ( 5.408 -6.123 -3.825) 9.021 6.278 ( -23.419 0.158 1.472) 23.465 6.493 ( -26.947 -8.642 -10.829) 30.300 6.733 ( -2.183 -3.561 -0.730) 4.240 6.738 ( -2.196 -2.235 -0.411) 3.160 6.870 ( 0.264 3.325 1.401) 3.618 6.954 ( -4.053 3.294 -4.221) 6.715 7.155 ( -6.488 1.922 3.791) 7.756 7.368 ( -6.564 9.468 -12.488) 16.991 7.599 ( 3.435 -2.864 2.088) 4.936 7.667 ( 4.487 -1.099 1.800) 4.958 7.723 ( 2.758 -1.087 1.200) 3.198 7.832 ( 4.922 -7.194 -1.679) 8.877 8.004 ( 4.342 -0.068 0.572) 4.380 8.092 ( -1.676 0.894 -1.132) 2.211 8.126 ( -4.505 2.515 0.207) 5.163 8.230 ( -3.189 2.916 -4.852) 6.498 9.198 ( 1.808 -1.211 5.320) 5.748 9.303 ( 1.082 -5.245 4.927) 7.277 9.481 ( 8.570 -4.827 6.029) 11.536 9.498 ( 1.577 1.107 -5.003) 5.361 9.814 ( 5.538 0.720 9.263) 10.816 10.097 ( 6.866 1.781 -4.548) 8.426 ======================= Grid point 200 (68/147) ======================= q-point: (-0.08 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( -0.000 19.135 18.270) 26.456 0.666 ( -0.000 20.203 22.319) 30.105 1.059 ( -0.000 16.674 31.824) 35.928 1.296 ( -0.000 13.947 0.537) 13.957 1.510 ( -0.000 6.417 -20.089) 21.089 2.177 ( -0.000 0.959 11.696) 11.735 2.402 ( 0.000 -14.681 -6.642) 16.114 2.478 ( 0.000 -0.324 -4.259) 4.271 2.679 ( -0.000 2.370 -8.257) 8.590 2.867 ( -0.000 8.708 -11.965) 14.798 2.927 ( 0.000 -2.079 0.998) 2.306 2.968 ( 0.000 -1.706 -0.768) 1.871 3.100 ( 0.000 -2.623 1.281) 2.919 3.156 ( 0.000 -5.416 0.735) 5.466 3.550 ( 0.000 -8.561 6.361) 10.665 3.654 ( 0.000 -1.645 0.077) 1.647 3.739 ( 0.000 -0.706 0.329) 0.779 3.755 ( 0.000 -1.316 -0.338) 1.358 3.771 ( -0.000 6.131 1.750) 6.376 3.881 ( 0.000 -0.252 -1.803) 1.820 4.253 ( 0.000 -3.582 1.386) 3.840 4.294 ( 0.000 -11.244 -4.176) 11.995 4.626 ( -0.000 3.987 2.023) 4.471 4.722 ( -0.000 2.140 -1.282) 2.495 4.926 ( -0.000 5.175 6.492) 8.302 5.167 ( 0.000 -4.893 -4.535) 6.672 5.986 ( -0.000 1.212 0.365) 1.265 6.004 ( -0.000 1.115 -0.360) 1.172 6.724 ( 0.000 -2.629 -0.007) 2.629 6.730 ( 0.000 -2.420 -0.169) 2.426 6.872 ( -0.000 1.009 1.361) 1.694 6.931 ( -0.000 0.501 -1.170) 1.273 7.058 ( -0.000 3.815 2.986) 4.845 7.214 ( -0.000 14.601 -9.653) 17.504 7.654 ( 0.000 -1.642 2.671) 3.135 7.721 ( 0.000 -2.172 1.510) 2.645 7.755 ( 0.000 -0.185 2.527) 2.534 7.943 ( 0.000 -7.902 -3.528) 8.654 8.026 ( -0.000 0.405 0.811) 0.906 8.062 ( -0.000 0.073 -0.071) 0.102 8.064 ( -0.000 0.383 -0.821) 0.906 8.189 ( -0.000 5.835 -5.681) 8.144 9.219 ( 0.000 -0.856 5.578) 5.643 9.340 ( 0.000 -3.346 6.508) 7.318 9.506 ( -0.000 1.178 -5.387) 5.515 9.602 ( 0.000 -2.229 -1.308) 2.585 9.947 ( 0.000 -10.477 10.773) 15.028 10.176 ( -0.000 2.065 -5.263) 5.654 ======================= Grid point 203 (69/147) ======================= q-point: ( 0.15 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( 18.090 0.000 1.702) 18.170 2.299 ( 15.506 0.000 -7.524) 17.235 2.388 ( 8.436 0.000 0.293) 8.441 2.460 ( 4.259 0.000 -2.786) 5.089 2.725 ( 10.416 0.000 -4.001) 11.158 2.729 ( 8.363 0.000 -2.620) 8.764 3.035 ( 6.912 0.000 2.160) 7.242 3.045 ( 3.632 0.000 0.466) 3.662 3.071 ( 5.201 0.000 6.832) 8.586 3.190 ( 1.827 0.000 14.414) 14.530 3.265 ( 0.740 0.000 -0.571) 0.935 3.421 ( -5.219 -0.000 1.288) 5.376 3.571 ( -0.067 -0.000 -4.513) 4.514 3.586 ( 2.295 0.000 -0.748) 2.414 3.748 ( 1.656 0.000 -1.420) 2.181 3.766 ( 1.924 0.000 -4.099) 4.528 3.881 ( 5.985 0.000 -5.621) 8.211 3.924 ( 2.933 0.000 -3.477) 4.549 4.086 ( -1.071 -0.000 2.799) 2.997 4.153 ( 5.428 0.000 -3.468) 6.441 4.258 ( -8.626 -0.000 3.313) 9.240 4.323 ( -3.510 -0.000 0.873) 3.617 4.443 ( 11.387 0.000 4.834) 12.370 4.557 ( 19.394 0.000 -2.009) 19.498 4.808 ( 2.804 0.000 3.767) 4.696 4.955 ( 8.470 0.000 -2.518) 8.837 6.665 ( 0.697 0.000 -0.010) 0.697 6.726 ( 1.795 0.000 -3.100) 3.582 6.895 ( 2.347 0.000 3.273) 4.028 6.939 ( 3.353 0.000 2.395) 4.120 7.259 ( -1.150 -0.000 0.732) 1.363 7.351 ( -3.320 -0.000 -2.832) 4.364 7.394 ( -2.545 -0.000 0.692) 2.638 7.463 ( -1.793 -0.000 -2.619) 3.174 7.534 ( 0.336 0.000 1.877) 1.907 7.535 ( 0.436 0.000 1.434) 1.499 7.669 ( 5.012 0.000 3.179) 5.935 7.733 ( 3.125 0.000 -0.504) 3.166 7.838 ( -1.286 -0.000 -3.008) 3.271 7.851 ( 7.106 0.000 -3.234) 7.807 8.477 ( -0.590 -0.000 1.572) 1.679 8.574 ( 0.769 0.000 -3.246) 3.336 8.926 ( -6.432 -0.000 8.598) 10.738 9.170 ( -7.867 -0.000 5.098) 9.375 9.304 ( -4.535 -0.000 -8.392) 9.539 9.434 ( -2.097 -0.000 -5.208) 5.615 9.632 ( 0.824 0.000 4.028) 4.112 9.711 ( -1.945 -0.000 -0.429) 1.992 ======================= Grid point 204 (70/147) ======================= q-point: ( 0.23 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( 13.921 0.302 -3.781) 14.428 2.460 ( 0.985 -0.022 0.922) 1.350 2.508 ( 3.550 -0.385 -3.795) 5.210 2.522 ( 5.329 0.116 -8.006) 9.618 2.924 ( 8.370 0.499 -0.734) 8.417 2.927 ( 8.625 -0.012 -0.719) 8.655 3.080 ( 0.952 1.117 4.241) 4.488 3.109 ( -0.156 1.580 6.508) 6.699 3.132 ( 3.208 0.360 1.108) 3.413 3.217 ( 0.931 0.308 10.684) 10.729 3.265 ( -0.498 1.031 -0.655) 1.319 3.317 ( -5.103 -0.573 3.545) 6.240 3.576 ( 0.573 0.400 -5.866) 5.908 3.602 ( -1.480 0.272 -2.500) 2.918 3.716 ( -4.140 6.111 -2.706) 7.862 3.773 ( -3.557 -3.443 -4.947) 6.998 3.925 ( 2.593 4.460 1.062) 5.267 3.978 ( 3.181 -0.160 -2.308) 3.934 4.046 ( -2.044 2.884 2.184) 4.155 4.099 ( -1.843 7.164 0.197) 7.400 4.188 ( -2.934 -8.532 -3.524) 9.686 4.240 ( -1.656 -13.295 -2.084) 13.559 4.726 ( 5.048 2.550 12.711) 13.912 4.899 ( 13.223 -2.539 2.620) 13.717 4.966 ( 15.306 3.997 -1.850) 15.927 5.127 ( 8.975 -3.388 -5.517) 11.067 6.703 ( 2.947 0.183 0.198) 2.959 6.786 ( 3.847 0.184 -3.947) 5.515 6.933 ( 1.575 -0.215 4.371) 4.651 7.011 ( 3.574 -0.436 2.902) 4.624 7.257 ( 0.388 4.601 -0.167) 4.621 7.313 ( -3.391 -3.569 0.239) 4.929 7.342 ( -0.974 2.133 -1.805) 2.959 7.370 ( -1.068 -2.292 -1.813) 3.112 7.535 ( -0.271 1.998 1.580) 2.561 7.576 ( -0.258 -1.732 0.116) 1.755 7.684 ( -2.192 -0.087 1.665) 2.754 7.804 ( 3.199 -0.099 -2.831) 4.273 7.897 ( 6.303 0.257 0.907) 6.373 7.994 ( 7.275 -0.299 -3.189) 7.949 8.414 ( -5.541 -0.010 1.883) 5.852 8.531 ( -4.949 0.172 -4.356) 6.595 8.795 ( -6.571 0.642 9.879) 11.882 8.988 ( -9.020 2.366 6.877) 11.587 9.211 ( -4.406 0.981 -8.285) 9.435 9.365 ( -3.883 0.316 -8.551) 9.397 9.655 ( 1.196 -0.250 3.225) 3.449 9.690 ( -0.839 -0.831 1.597) 1.986 ======================= Grid point 205 (71/147) ======================= q-point: ( 0.31 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.466 ( -0.145 -0.045 1.629) 1.636 2.543 ( 1.213 -0.354 -2.195) 2.533 2.590 ( 2.710 0.967 -8.147) 8.640 2.609 ( 4.665 0.224 -8.388) 9.600 2.991 ( -0.376 1.398 2.462) 2.857 3.036 ( -4.328 2.949 0.625) 5.275 3.047 ( 2.628 -0.005 4.836) 5.504 3.087 ( -0.663 0.760 9.099) 9.155 3.163 ( -4.266 1.981 0.332) 4.715 3.178 ( 0.176 0.295 -0.327) 0.474 3.250 ( -0.738 -1.815 7.630) 7.878 3.285 ( 1.349 -0.710 2.267) 2.732 3.528 ( -5.099 1.780 -0.345) 5.411 3.539 ( -4.336 0.546 -0.269) 4.378 3.626 ( 0.977 0.662 -9.557) 9.630 3.697 ( -4.144 -1.319 -8.542) 9.585 3.976 ( 1.293 5.010 1.619) 5.422 4.025 ( 2.882 1.302 0.206) 3.170 4.033 ( 1.161 -0.666 -0.021) 1.339 4.062 ( 1.222 5.360 -0.855) 5.563 4.225 ( 0.970 -9.906 -1.173) 10.022 4.316 ( 1.421 -14.374 -1.694) 14.543 4.738 ( 0.294 4.327 12.711) 13.431 5.057 ( 4.422 5.109 -3.136) 7.449 5.183 ( 8.431 4.276 2.552) 9.791 5.360 ( 8.817 -6.702 -4.211) 11.849 6.763 ( 2.899 1.073 -0.115) 3.093 6.840 ( 1.378 2.647 -3.207) 4.381 6.974 ( 1.977 -3.381 3.482) 5.241 7.069 ( 1.888 -1.310 2.546) 3.430 7.190 ( -4.030 1.776 0.878) 4.491 7.216 ( -5.875 0.056 0.186) 5.878 7.386 ( 3.429 -0.711 -1.232) 3.713 7.446 ( 3.577 0.828 -3.210) 4.877 7.519 ( 1.409 1.036 1.467) 2.283 7.559 ( -0.572 -1.640 -0.372) 1.776 7.634 ( -2.620 -0.502 3.406) 4.326 7.836 ( -0.137 0.340 -4.554) 4.568 8.032 ( 6.894 0.011 1.126) 6.985 8.133 ( 5.181 -0.198 -4.150) 6.641 8.273 ( -7.036 0.004 2.446) 7.449 8.392 ( -8.119 0.665 -3.960) 9.058 8.668 ( -5.527 0.887 10.062) 11.514 8.833 ( -4.707 1.161 8.504) 9.789 9.128 ( -3.320 0.633 -8.049) 8.730 9.304 ( -1.677 0.089 -9.979) 10.119 9.675 ( 0.398 0.101 2.986) 3.014 9.684 ( 0.206 -0.611 2.280) 2.369 ======================= Grid point 206 (72/147) ======================= q-point: (-0.62 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.460 ( -0.526 -0.233 2.137) 2.213 2.518 ( -4.610 -0.819 -4.539) 6.521 2.601 ( -5.175 1.579 -5.973) 8.059 2.622 ( 1.870 1.154 -3.329) 3.989 2.900 ( -4.166 -0.139 0.854) 4.255 2.938 ( -7.347 -1.575 -1.333) 7.632 3.035 ( -3.831 0.150 8.357) 9.194 3.060 ( -2.184 0.148 3.920) 4.490 3.093 ( -1.892 -1.020 2.513) 3.307 3.140 ( -2.274 -1.264 0.172) 2.607 3.287 ( -1.582 -0.296 0.230) 1.626 3.311 ( 4.204 0.034 5.879) 7.228 3.413 ( -3.933 -1.172 3.121) 5.156 3.507 ( -1.319 -0.482 -1.868) 2.337 3.612 ( -2.981 -0.228 -8.564) 9.071 3.682 ( 2.261 -1.250 -12.526) 12.790 3.938 ( -2.360 0.932 0.286) 2.554 3.972 ( -3.543 1.732 -2.026) 4.434 4.092 ( 2.282 1.717 2.508) 3.801 4.122 ( 6.227 5.197 0.289) 8.116 4.310 ( 1.982 -7.120 3.186) 8.048 4.461 ( 4.662 -13.031 -1.953) 13.977 4.716 ( 0.185 4.740 11.162) 12.128 5.059 ( 0.750 10.185 -6.176) 11.935 5.248 ( -0.009 3.061 5.669) 6.443 5.471 ( -0.912 -1.921 -4.520) 4.995 6.777 ( -1.160 2.324 -0.223) 2.607 6.805 ( -2.441 1.624 -1.726) 3.402 7.030 ( 0.964 -4.495 3.854) 5.999 7.081 ( -6.222 0.417 0.641) 6.269 7.105 ( -4.006 -0.184 0.232) 4.017 7.139 ( 3.052 -2.630 1.173) 4.196 7.387 ( -2.578 -0.403 -1.340) 2.933 7.444 ( -1.202 1.009 -3.152) 3.521 7.550 ( -0.637 1.833 2.420) 3.101 7.614 ( 3.270 0.299 -0.479) 3.318 7.640 ( 3.295 -0.975 1.917) 3.935 7.814 ( -0.956 -0.169 -4.381) 4.487 8.038 ( -8.878 0.209 1.258) 8.969 8.126 ( -0.706 -0.754 -3.022) 3.194 8.269 ( -0.161 0.114 1.000) 1.019 8.333 ( 7.675 -1.050 -3.059) 8.329 8.580 ( -3.223 -1.343 9.646) 10.259 8.794 ( 0.389 -0.083 7.775) 7.785 9.080 ( -1.507 -0.710 -7.027) 7.222 9.307 ( 1.902 0.173 -10.516) 10.688 9.675 ( 0.026 -0.059 3.877) 3.877 9.705 ( 1.569 0.108 1.808) 2.397 ======================= Grid point 207 (73/147) ======================= q-point: (-0.54 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( -11.130 -0.550 -1.974) 11.317 2.436 ( -7.133 -1.667 -3.298) 8.034 2.452 ( -4.411 -0.925 1.781) 4.846 2.617 ( -2.487 2.317 -4.521) 5.656 2.786 ( -8.235 -5.129 0.749) 9.731 2.864 ( -1.977 -2.573 -3.161) 4.530 2.939 ( -5.515 0.122 6.123) 8.242 2.993 ( -3.772 -1.168 5.360) 6.658 3.074 ( -4.152 -1.970 1.958) 4.996 3.094 ( -1.476 -3.254 2.324) 4.262 3.235 ( -3.044 0.217 -0.997) 3.211 3.350 ( 0.752 -0.957 5.569) 5.700 3.434 ( 2.539 -3.019 -0.013) 3.945 3.475 ( -1.146 -0.864 -1.332) 1.958 3.569 ( -1.290 -0.365 -7.217) 7.341 3.745 ( 3.016 -1.137 -12.874) 13.271 3.863 ( -4.620 1.255 0.188) 4.791 3.910 ( -2.139 0.172 -3.498) 4.104 4.118 ( 1.367 2.119 4.039) 4.761 4.194 ( 3.524 5.480 -1.431) 6.670 4.379 ( 2.323 -3.335 8.149) 9.106 4.607 ( 1.644 -8.145 -3.168) 8.892 4.680 ( -0.892 3.241 9.714) 10.279 4.987 ( -1.298 10.875 -5.062) 12.065 5.128 ( -10.369 4.917 4.538) 12.340 5.329 ( -13.211 2.770 -4.232) 14.146 6.711 ( -2.089 1.170 1.118) 2.643 6.775 ( -0.345 0.462 -2.240) 2.313 6.956 ( -5.905 0.050 0.943) 5.980 7.016 ( -4.283 -1.920 -1.191) 4.843 7.075 ( 0.907 -1.529 5.732) 6.002 7.229 ( 3.669 -2.147 -0.541) 4.285 7.340 ( -2.371 -1.924 -0.875) 3.176 7.427 ( 0.454 0.398 -3.980) 4.025 7.532 ( 0.533 1.864 2.103) 2.860 7.620 ( -0.076 0.243 -1.985) 2.001 7.702 ( 1.011 0.344 2.137) 2.389 7.781 ( -4.302 -1.187 -0.473) 4.488 7.908 ( -3.503 1.162 0.704) 3.757 8.032 ( -5.905 0.558 -4.752) 7.600 8.371 ( 6.399 -3.466 3.346) 8.009 8.487 ( 6.038 -1.072 -2.477) 6.614 8.568 ( 0.328 -5.150 6.561) 8.347 8.818 ( 1.150 -1.742 6.061) 6.411 9.079 ( 0.453 -2.102 -4.635) 5.109 9.360 ( 2.940 0.247 -10.871) 11.264 9.682 ( 0.887 0.318 5.026) 5.114 9.747 ( 2.822 0.402 0.997) 3.020 ======================= Grid point 208 (74/147) ======================= q-point: (-0.46 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( -14.183 1.116 0.785) 14.248 2.205 ( -15.191 -1.675 -2.912) 15.558 2.389 ( -5.209 0.198 0.489) 5.236 2.503 ( -7.884 0.022 -4.753) 9.205 2.660 ( -7.961 -4.919 0.391) 9.366 2.769 ( -7.551 0.647 -4.058) 8.597 2.881 ( -2.663 -2.908 3.079) 5.003 2.937 ( -2.620 -1.435 5.143) 5.948 2.976 ( -6.852 -3.366 4.282) 8.753 3.083 ( -2.896 -7.015 5.466) 9.352 3.208 ( 1.210 0.121 -1.683) 2.076 3.409 ( 3.558 -2.974 3.818) 6.007 3.444 ( -1.466 -4.154 -2.066) 4.865 3.507 ( 0.604 -1.692 -2.503) 3.081 3.575 ( 1.643 -0.278 -2.503) 3.007 3.739 ( -6.193 2.291 -1.241) 6.719 3.803 ( 0.707 -0.757 -8.979) 9.038 3.876 ( -1.646 -1.253 -6.316) 6.646 4.114 ( -0.694 2.042 2.222) 3.097 4.177 ( -2.781 3.212 -1.583) 4.534 4.446 ( 2.587 2.803 7.096) 8.056 4.508 ( -8.111 3.047 5.409) 10.214 4.684 ( -5.897 -1.470 2.648) 6.629 4.787 ( -19.185 5.956 3.271) 20.353 4.903 ( -1.379 7.832 -3.731) 8.784 4.984 ( -14.737 2.739 -3.914) 15.492 6.711 ( 2.193 1.602 0.753) 2.818 6.779 ( 0.752 0.943 -2.179) 2.490 6.859 ( -3.849 -0.519 1.850) 4.303 6.940 ( -4.483 -1.602 -0.815) 4.830 7.120 ( 3.490 -1.374 4.647) 5.972 7.290 ( 0.670 -2.060 -2.700) 3.462 7.342 ( 1.734 -3.591 1.594) 4.294 7.459 ( 2.600 0.410 -3.598) 4.458 7.545 ( 1.123 1.864 1.027) 2.407 7.612 ( -2.467 1.434 -1.661) 3.301 7.689 ( -5.083 -0.737 2.970) 5.933 7.702 ( 1.155 -2.218 1.037) 2.708 7.847 ( -1.721 2.185 -1.734) 3.278 7.900 ( -7.103 1.464 -3.576) 8.086 8.481 ( 1.556 -0.229 1.279) 2.027 8.578 ( 1.156 -0.431 -3.134) 3.368 8.630 ( 2.443 -12.614 7.241) 14.748 8.882 ( 4.480 -4.407 5.529) 8.370 9.112 ( 1.099 -3.396 -2.888) 4.591 9.404 ( 1.703 0.247 -10.217) 10.361 9.707 ( 1.973 1.168 5.552) 6.006 9.811 ( 3.970 0.885 -0.326) 4.080 ======================= Grid point 209 (75/147) ======================= q-point: (-0.38 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( -16.473 3.142 4.923) 17.478 1.876 ( -17.206 2.933 0.169) 17.455 2.211 ( -11.501 5.000 -3.212) 12.946 2.329 ( -9.349 -1.158 -6.440) 11.411 2.528 ( -8.302 -4.076 -2.063) 9.476 2.608 ( -9.052 -1.018 -4.281) 10.065 2.804 ( -5.736 -2.284 3.232) 6.969 2.856 ( -6.532 -2.208 -0.097) 6.896 2.907 ( -2.305 -1.273 8.127) 8.543 3.066 ( -3.243 -4.973 10.425) 11.997 3.246 ( 0.693 -0.566 -3.422) 3.537 3.415 ( -5.145 -5.655 -0.599) 7.669 3.460 ( -2.981 -3.383 0.920) 4.602 3.499 ( -4.145 -0.456 -1.669) 4.491 3.558 ( -9.802 0.107 0.758) 9.832 3.606 ( -0.171 -0.784 -1.462) 1.668 3.796 ( -1.553 0.910 -4.539) 4.883 3.832 ( -3.811 -0.105 -5.678) 6.839 4.032 ( -9.890 5.153 -1.118) 11.208 4.071 ( -4.081 1.906 -4.359) 6.268 4.197 ( -15.265 5.849 3.153) 16.649 4.288 ( -16.635 2.163 -2.557) 16.969 4.473 ( -4.963 -1.849 7.975) 9.574 4.630 ( 5.859 0.459 3.291) 6.736 4.827 ( -4.122 1.877 -0.756) 4.592 4.899 ( 2.975 2.630 -1.922) 4.412 6.735 ( 0.309 1.012 -0.267) 1.091 6.774 ( -1.174 0.480 -1.116) 1.689 6.808 ( -2.087 -0.041 1.248) 2.432 6.858 ( -4.547 -1.027 -0.263) 4.669 7.203 ( 0.189 -1.783 3.562) 3.988 7.314 ( 3.006 -1.853 0.074) 3.532 7.387 ( -4.371 -0.263 -0.974) 4.486 7.473 ( -2.634 0.986 -2.553) 3.798 7.489 ( -4.549 -0.713 2.259) 5.129 7.547 ( -1.779 0.662 1.756) 2.586 7.607 ( 0.202 -0.635 1.380) 1.532 7.723 ( -6.388 0.527 -4.754) 7.980 7.782 ( 3.656 -0.019 0.482) 3.688 7.900 ( 7.189 0.461 -4.379) 8.430 8.444 ( -4.698 0.541 0.752) 4.789 8.493 ( -7.332 -0.470 -1.585) 7.516 8.831 ( 7.762 -13.190 6.123) 16.484 9.032 ( 7.415 -4.309 5.648) 10.269 9.155 ( 0.882 -4.573 -2.053) 5.090 9.433 ( 1.586 0.196 -8.145) 8.301 9.743 ( 2.806 2.521 5.259) 6.472 9.892 ( 5.074 1.508 -2.080) 5.688 ======================= Grid point 210 (76/147) ======================= q-point: (-0.31 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( -19.218 5.533 7.592) 21.391 1.523 ( -13.852 11.754 7.183) 19.535 1.913 ( -12.949 10.840 -6.137) 17.968 2.147 ( -10.257 0.259 -11.774) 15.617 2.360 ( -11.971 -1.174 -0.759) 12.053 2.410 ( -11.635 -2.208 -2.299) 12.064 2.655 ( -13.171 6.405 5.949) 15.808 2.747 ( -3.431 -3.994 3.299) 6.213 2.855 ( -3.526 0.128 3.768) 5.162 2.963 ( -8.622 0.619 5.394) 10.189 3.071 ( -23.482 1.033 0.013) 23.505 3.251 ( -5.785 1.788 2.635) 6.604 3.257 ( -14.918 -3.975 -1.317) 15.495 3.356 ( -7.267 -4.590 -1.214) 8.680 3.436 ( -5.731 -2.076 -2.387) 6.546 3.595 ( -1.957 -3.123 -4.296) 5.660 3.712 ( -2.097 -0.359 2.540) 3.313 3.814 ( -1.169 2.929 -1.332) 3.424 3.829 ( -2.178 1.388 -3.498) 4.348 3.913 ( -4.043 7.218 -3.876) 9.136 4.087 ( -0.519 -4.065 -1.430) 4.341 4.122 ( -4.032 -5.954 -2.596) 7.645 4.506 ( 3.375 -5.939 6.828) 9.658 4.721 ( -2.923 -2.468 -1.803) 4.230 4.807 ( 7.840 1.504 4.239) 9.039 4.958 ( 4.336 3.298 -1.872) 5.760 6.671 ( -11.887 -1.197 0.521) 11.958 6.711 ( -6.482 -1.891 -0.636) 6.782 6.740 ( -4.444 -1.921 -0.631) 4.883 6.773 ( -4.608 -1.707 -1.020) 5.019 7.040 ( -10.692 5.590 3.105) 12.458 7.171 ( -12.358 1.015 -3.375) 12.851 7.299 ( -7.390 -1.020 4.278) 8.600 7.446 ( 5.527 -2.338 -0.938) 6.074 7.553 ( 2.611 -2.745 -2.980) 4.820 7.567 ( 2.576 -0.500 1.054) 2.827 7.607 ( -1.922 0.798 -3.604) 4.161 7.680 ( 4.494 -1.041 0.700) 4.666 7.894 ( 5.998 -0.554 1.590) 6.230 8.057 ( 8.042 2.659 -5.474) 10.085 8.301 ( -8.244 1.395 0.907) 8.410 8.350 ( -6.896 -0.513 -1.784) 7.141 9.047 ( 7.038 -8.632 4.445) 11.992 9.188 ( 2.486 -2.332 5.088) 6.124 9.221 ( 6.695 -6.414 2.394) 9.576 9.469 ( 2.121 0.196 -5.861) 6.236 9.788 ( 3.570 3.740 5.192) 7.327 9.995 ( 6.306 1.763 -3.856) 7.599 ======================= Grid point 211 (77/147) ======================= q-point: (-0.23 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( -14.017 13.424 10.910) 22.265 1.203 ( -9.549 18.665 14.612) 25.555 1.609 ( -9.840 16.419 -9.941) 21.569 1.847 ( -18.915 12.427 -5.245) 23.232 1.933 ( -21.086 18.351 3.191) 28.135 2.243 ( -6.123 -6.357 -3.020) 9.329 2.346 ( -11.483 3.413 6.522) 13.640 2.622 ( -13.548 -1.317 -3.710) 14.109 2.694 ( -8.448 -4.385 2.764) 9.912 2.819 ( 1.614 -4.607 3.135) 5.801 2.892 ( 0.276 -1.863 1.128) 2.195 3.046 ( -7.562 -2.119 -0.803) 7.895 3.127 ( -7.482 -2.738 4.030) 8.928 3.215 ( -6.520 3.802 -9.288) 11.968 3.405 ( -0.430 -7.070 0.497) 7.100 3.603 ( 0.181 -4.049 -3.319) 5.239 3.713 ( 0.380 -1.639 1.404) 2.191 3.749 ( -2.462 -1.516 -0.275) 2.904 3.846 ( 1.102 3.916 -2.605) 4.830 3.860 ( 0.603 1.006 -3.987) 4.156 4.112 ( -0.393 -7.018 1.026) 7.104 4.147 ( 3.045 -3.477 -0.009) 4.621 4.608 ( 1.996 -6.761 3.935) 8.073 4.680 ( -0.238 0.038 2.770) 2.781 4.967 ( 6.180 -1.433 0.439) 6.359 5.021 ( 3.880 2.224 -1.372) 4.678 6.282 ( -21.766 0.526 1.084) 21.800 6.407 ( -26.232 -5.890 -5.484) 27.439 6.692 ( -2.710 -3.651 0.115) 4.548 6.710 ( -3.066 -2.596 -0.536) 4.053 6.905 ( -1.965 2.492 1.288) 3.425 6.977 ( -4.917 0.876 -2.354) 5.521 7.200 ( -2.467 5.442 4.815) 7.674 7.473 ( -2.399 8.360 -11.807) 14.664 7.558 ( 3.045 -3.967 0.647) 5.043 7.656 ( 3.747 -0.631 2.866) 4.759 7.685 ( 3.261 -6.111 -1.525) 7.092 7.770 ( 3.598 -2.554 0.898) 4.503 8.002 ( 4.346 -0.384 2.060) 4.824 8.102 ( -4.081 0.944 -0.317) 4.201 8.156 ( -4.411 2.430 -0.448) 5.056 8.267 ( 0.526 3.395 -6.532) 7.380 9.178 ( 2.588 -2.386 4.446) 5.671 9.239 ( 1.668 -5.296 3.425) 6.524 9.420 ( 8.389 -5.462 7.023) 12.228 9.508 ( 1.889 0.607 -4.036) 4.498 9.837 ( 3.379 3.170 6.742) 8.181 10.113 ( 5.928 0.904 -5.067) 7.850 ======================= Grid point 212 (78/147) ======================= q-point: (-0.15 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( -0.000 18.104 15.495) 23.829 0.946 ( -0.000 26.621 14.629) 30.376 1.313 ( -0.000 25.078 8.232) 26.395 1.522 ( -0.000 24.104 9.319) 25.843 1.613 ( -0.000 11.029 -17.568) 20.742 2.193 ( -0.000 1.724 10.778) 10.915 2.252 ( 0.000 -10.625 -7.420) 12.959 2.472 ( 0.000 -0.689 -4.076) 4.134 2.659 ( 0.000 -4.869 -1.413) 5.070 2.892 ( 0.000 -3.968 1.198) 4.144 2.938 ( 0.000 -3.488 -0.816) 3.583 2.966 ( -0.000 3.242 -3.530) 4.792 3.036 ( 0.000 -4.390 4.857) 6.547 3.129 ( -0.000 1.133 -8.004) 8.084 3.451 ( 0.000 -8.212 3.118) 8.784 3.628 ( 0.000 -3.150 -1.948) 3.703 3.727 ( 0.000 -1.498 0.150) 1.505 3.734 ( 0.000 -2.034 -0.171) 2.041 3.830 ( -0.000 4.432 -1.618) 4.718 3.879 ( 0.000 -0.958 -3.074) 3.219 4.156 ( 0.000 -8.971 2.038) 9.199 4.223 ( 0.000 -3.888 0.593) 3.933 4.647 ( 0.000 -1.782 2.387) 2.979 4.706 ( 0.000 -2.997 1.273) 3.256 5.006 ( -0.000 7.216 1.545) 7.380 5.096 ( 0.000 -6.537 -2.610) 7.039 6.007 ( -0.000 2.256 0.329) 2.280 6.022 ( -0.000 2.040 -0.321) 2.065 6.685 ( 0.000 -4.026 0.163) 4.030 6.695 ( 0.000 -3.316 -0.247) 3.325 6.883 ( -0.000 0.777 1.159) 1.396 6.936 ( -0.000 0.144 -1.063) 1.073 7.131 ( -0.000 8.197 3.691) 8.990 7.379 ( -0.000 13.051 -13.233) 18.586 7.620 ( 0.000 -4.141 0.974) 4.254 7.699 ( 0.000 -1.425 3.538) 3.814 7.745 ( 0.000 -2.282 -0.703) 2.388 7.845 ( 0.000 -7.554 -0.480) 7.569 8.033 ( -0.000 0.707 0.803) 1.070 8.069 ( -0.000 0.780 1.241) 1.465 8.071 ( -0.000 0.672 -0.814) 1.055 8.259 ( -0.000 6.042 -7.220) 9.415 9.207 ( 0.000 -1.271 4.842) 5.006 9.291 ( 0.000 -4.899 4.981) 6.987 9.517 ( -0.000 0.085 -2.796) 2.797 9.559 ( 0.000 -4.576 2.857) 5.395 9.877 ( 0.000 -1.561 10.197) 10.316 10.183 ( 0.000 -0.281 -5.865) 5.872 ======================= Grid point 217 (79/147) ======================= q-point: ( 0.23 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.465 ( -0.126 -0.000 1.588) 1.593 2.541 ( 1.422 0.000 -2.076) 2.516 2.597 ( 1.285 0.000 -8.655) 8.750 2.609 ( 6.186 0.000 -8.601) 10.595 2.998 ( -0.082 -0.000 1.591) 1.593 3.047 ( 3.467 0.000 2.732) 4.414 3.058 ( -6.267 -0.000 3.198) 7.036 3.090 ( -0.751 -0.000 10.321) 10.348 3.177 ( -5.167 -0.000 0.508) 5.191 3.179 ( -0.480 -0.000 -0.614) 0.779 3.237 ( -0.344 -0.000 7.798) 7.805 3.280 ( 1.429 0.000 2.328) 2.732 3.536 ( -3.269 -0.000 -1.116) 3.454 3.544 ( -7.224 -0.000 0.030) 7.224 3.632 ( 0.011 0.000 -10.424) 10.425 3.686 ( -3.943 -0.000 -6.891) 7.939 4.015 ( -2.691 -0.000 2.713) 3.821 4.027 ( 0.534 0.000 -0.088) 0.541 4.042 ( 6.321 0.000 1.960) 6.618 4.127 ( 0.892 0.000 0.612) 1.082 4.145 ( 3.762 0.000 -3.720) 5.290 4.202 ( 1.845 0.000 -4.763) 5.107 4.765 ( 0.044 0.000 14.181) 14.181 5.078 ( 5.868 0.000 -0.168) 5.870 5.248 ( 5.214 0.000 -2.855) 5.945 5.289 ( 12.412 0.000 -2.471) 12.656 6.770 ( 3.171 0.000 -0.497) 3.210 6.860 ( 2.376 0.000 -5.080) 5.608 6.950 ( 0.655 0.000 5.584) 5.622 7.060 ( 1.621 0.000 2.887) 3.311 7.202 ( -4.915 -0.000 0.889) 4.995 7.215 ( -6.093 -0.000 -0.053) 6.093 7.382 ( 4.111 0.000 -1.108) 4.258 7.450 ( 4.406 0.000 -3.485) 5.618 7.530 ( 0.895 0.000 0.758) 1.172 7.544 ( -0.541 -0.000 0.338) 0.638 7.631 ( -2.770 -0.000 3.614) 4.553 7.838 ( -0.042 -0.000 -4.567) 4.567 8.032 ( 6.690 0.000 1.129) 6.785 8.131 ( 5.433 0.000 -4.098) 6.805 8.273 ( -7.256 -0.000 2.509) 7.678 8.396 ( -8.126 -0.000 -4.043) 9.076 8.673 ( -5.928 -0.000 10.000) 11.625 8.841 ( -5.341 -0.000 8.470) 10.013 9.132 ( -3.712 -0.000 -8.144) 8.950 9.305 ( -1.688 -0.000 -9.837) 9.981 9.677 ( -0.358 -0.000 2.861) 2.883 9.679 ( 1.219 0.000 2.366) 2.662 ======================= Grid point 218 (80/147) ======================= q-point: (-0.69 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.458 ( -0.695 -0.092 2.251) 2.357 2.512 ( -5.115 -0.258 -4.548) 6.849 2.616 ( -5.771 0.731 -6.350) 8.612 2.632 ( 2.802 0.463 -3.639) 4.616 2.904 ( -6.329 0.520 -0.073) 6.351 2.923 ( -8.447 -0.964 0.587) 8.522 3.039 ( -4.928 0.319 8.030) 9.427 3.063 ( -2.386 0.206 5.489) 5.988 3.082 ( -2.127 -0.719 2.549) 3.396 3.128 ( -2.269 -0.694 -0.238) 2.385 3.285 ( -1.354 -0.060 -0.399) 1.412 3.310 ( 5.250 -0.089 5.518) 7.617 3.404 ( -5.656 -0.319 3.286) 6.549 3.503 ( -1.201 -0.169 -2.206) 2.517 3.610 ( -3.437 -0.092 -8.888) 9.530 3.670 ( 2.608 -0.584 -11.928) 12.224 3.951 ( -3.156 0.846 0.784) 3.360 3.985 ( -3.658 0.417 -2.264) 4.322 4.110 ( 2.001 1.126 5.304) 5.780 4.198 ( 7.231 7.793 -0.526) 10.644 4.246 ( 3.946 -3.407 -1.277) 5.367 4.323 ( 6.253 -10.525 -1.502) 12.334 4.754 ( -0.469 1.758 13.437) 13.560 5.133 ( 0.699 2.845 -4.702) 5.540 5.289 ( -0.183 3.163 2.455) 4.008 5.444 ( 1.560 -2.101 -3.550) 4.410 6.797 ( -0.417 0.961 -1.696) 1.994 6.827 ( -4.607 1.601 -2.298) 5.392 6.986 ( 2.203 -2.510 5.778) 6.673 7.081 ( -5.941 -0.153 1.525) 6.135 7.103 ( -5.055 -0.235 0.314) 5.070 7.118 ( 3.027 -0.830 0.301) 3.153 7.385 ( -2.797 -0.092 -1.271) 3.074 7.452 ( -1.567 0.388 -3.552) 3.902 7.569 ( -1.006 1.158 2.222) 2.700 7.614 ( 3.525 -0.237 -0.497) 3.568 7.630 ( 4.989 -0.584 2.427) 5.578 7.813 ( -1.560 -0.017 -4.408) 4.676 8.040 ( -9.001 0.086 1.335) 9.100 8.119 ( -0.466 -0.357 -2.377) 2.448 8.270 ( -1.555 0.124 0.383) 1.607 8.325 ( 7.749 -0.422 -2.871) 8.274 8.570 ( -4.269 -0.445 9.323) 10.264 8.793 ( -0.057 -0.002 7.541) 7.542 9.074 ( -1.997 -0.241 -6.846) 7.136 9.309 ( 1.925 0.071 -10.454) 10.630 9.674 ( 0.112 -0.029 3.932) 3.934 9.706 ( 1.659 0.021 1.794) 2.444 ======================= Grid point 219 (81/147) ======================= q-point: (-0.62 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( -10.230 -0.232 -1.546) 10.348 2.419 ( -9.393 -1.100 -3.115) 9.957 2.445 ( -3.525 -0.460 2.994) 4.648 2.637 ( -4.319 1.045 -5.645) 7.184 2.741 ( -8.118 -2.643 1.815) 8.728 2.840 ( -1.958 -1.470 -3.971) 4.665 2.943 ( -4.462 0.372 7.370) 8.623 2.984 ( -4.717 -0.401 5.569) 7.310 3.052 ( -3.073 -1.811 1.036) 3.714 3.064 ( -4.951 -1.686 1.667) 5.490 3.240 ( -2.015 0.455 -1.600) 2.613 3.337 ( -0.991 -1.018 5.342) 5.528 3.409 ( 1.558 -1.521 -1.525) 2.659 3.472 ( 0.122 0.091 -0.816) 0.830 3.567 ( -1.046 -0.079 -7.071) 7.148 3.733 ( 3.074 -0.898 -11.765) 12.194 3.877 ( -4.082 1.023 -0.099) 4.209 3.915 ( -2.830 0.446 -3.210) 4.303 4.138 ( 1.305 1.265 6.263) 6.521 4.248 ( 0.832 3.089 -1.427) 3.503 4.359 ( 6.784 1.011 3.908) 7.894 4.509 ( 5.789 -8.468 -2.554) 10.570 4.715 ( -2.856 2.202 11.842) 12.379 5.079 ( -3.592 5.027 -5.027) 7.965 5.179 ( -9.729 3.682 3.228) 10.892 5.353 ( -11.132 1.367 -3.737) 11.822 6.725 ( -2.722 1.028 0.916) 3.051 6.782 ( -0.183 0.628 -2.416) 2.503 6.954 ( -6.206 -0.252 0.779) 6.260 6.996 ( -4.333 -1.337 -0.609) 4.575 7.060 ( 2.070 -1.009 5.704) 6.151 7.207 ( 4.240 -1.397 -0.250) 4.471 7.323 ( -3.290 -0.968 -0.814) 3.524 7.429 ( -0.179 0.017 -4.779) 4.782 7.551 ( 0.627 1.375 1.843) 2.383 7.622 ( -0.665 0.065 -1.017) 1.217 7.705 ( 1.085 0.221 1.594) 1.940 7.769 ( -4.751 -0.830 -0.613) 4.862 7.921 ( -2.343 0.949 0.825) 2.659 8.035 ( -5.402 0.011 -4.854) 7.262 8.331 ( 4.406 -2.938 5.617) 7.719 8.479 ( 6.455 -0.283 -3.223) 7.221 8.524 ( -0.619 -2.459 5.868) 6.393 8.803 ( 0.151 -0.940 4.182) 4.289 9.061 ( 0.258 -0.947 -3.317) 3.460 9.362 ( 2.964 0.166 -10.882) 11.279 9.685 ( 1.090 0.134 5.127) 5.244 9.749 ( 2.859 0.110 1.058) 3.050 ======================= Grid point 220 (82/147) ======================= q-point: (-0.54 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( -13.201 1.035 0.748) 13.263 2.194 ( -12.891 -0.266 -2.889) 13.213 2.392 ( -3.841 0.279 0.575) 3.894 2.490 ( -8.815 -2.443 -5.302) 10.572 2.614 ( -7.638 -2.665 2.494) 8.465 2.770 ( -7.534 -0.340 -4.825) 8.953 2.859 ( -3.481 -0.869 5.118) 6.250 2.923 ( -1.952 -1.544 8.770) 9.116 2.939 ( -7.862 -2.683 1.565) 8.453 3.001 ( -4.085 -6.266 2.532) 7.897 3.222 ( 0.708 2.050 -2.745) 3.498 3.375 ( 3.387 -2.549 3.349) 5.402 3.399 ( -1.578 -3.720 -4.336) 5.927 3.504 ( 0.258 0.602 -1.373) 1.521 3.574 ( 1.818 0.050 -2.052) 2.742 3.764 ( -5.795 1.863 -2.748) 6.679 3.794 ( 1.221 -0.699 -7.383) 7.516 3.866 ( -2.083 -0.490 -5.479) 5.883 4.136 ( -0.896 1.697 3.835) 4.289 4.204 ( -3.885 1.463 -0.385) 4.169 4.478 ( 5.233 2.961 3.736) 7.078 4.538 ( -6.886 1.868 5.483) 8.998 4.657 ( -3.197 -2.657 3.566) 5.477 4.850 ( -19.617 4.588 3.530) 20.453 4.962 ( -6.054 2.705 -4.652) 8.100 5.034 ( -15.127 5.136 -3.181) 16.289 6.729 ( 2.728 1.371 0.837) 3.166 6.790 ( 0.758 0.931 -1.691) 2.074 6.853 ( -3.988 -0.677 1.143) 4.204 6.919 ( -4.283 -1.912 -1.002) 4.796 7.111 ( 3.022 -0.340 4.854) 5.728 7.269 ( -0.484 -1.560 -1.899) 2.505 7.306 ( 2.666 -2.439 1.543) 3.929 7.457 ( 2.678 -0.547 -4.666) 5.408 7.570 ( 1.280 2.355 0.588) 2.744 7.627 ( -0.803 1.125 -2.006) 2.436 7.668 ( -3.143 -2.056 2.481) 4.502 7.687 ( -2.028 -0.922 1.549) 2.713 7.871 ( -2.139 2.011 -1.080) 3.128 7.915 ( -6.994 1.080 -3.456) 7.876 8.461 ( 5.644 -5.228 4.897) 9.119 8.510 ( -0.710 -4.527 6.394) 7.866 8.581 ( 0.123 -0.228 -4.508) 4.515 8.834 ( 3.275 -3.648 1.854) 5.242 9.085 ( 1.221 -1.455 -0.246) 1.915 9.407 ( 1.698 0.241 -10.284) 10.426 9.717 ( 2.373 0.649 5.571) 6.090 9.817 ( 4.026 0.270 -0.094) 4.036 ======================= Grid point 221 (83/147) ======================= q-point: (-0.46 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( -15.897 2.180 2.821) 16.291 1.931 ( -11.597 6.074 -1.563) 13.184 2.269 ( -7.748 4.853 -3.241) 9.700 2.312 ( -10.056 -1.577 -4.947) 11.318 2.481 ( -7.717 -3.766 0.141) 8.588 2.594 ( -9.946 -1.203 -3.642) 10.659 2.774 ( -6.144 -2.780 3.087) 7.417 2.805 ( -7.284 -6.269 1.874) 9.791 2.908 ( -1.005 0.795 6.528) 6.652 2.990 ( -1.668 -7.546 9.224) 12.034 3.242 ( 1.433 0.332 -3.740) 4.019 3.367 ( -5.458 -2.956 -0.224) 6.211 3.426 ( -2.789 -2.301 1.131) 3.788 3.483 ( -2.053 -1.651 -2.651) 3.737 3.575 ( -8.550 1.968 -0.815) 8.812 3.601 ( -3.326 0.020 -1.050) 3.488 3.806 ( -0.773 0.767 -4.888) 5.008 3.830 ( -2.666 -0.273 -6.103) 6.666 4.060 ( -6.796 0.433 -1.258) 6.926 4.096 ( -4.903 1.990 -2.232) 5.743 4.278 ( -16.934 6.062 4.357) 18.506 4.335 ( -19.517 6.837 -0.750) 20.693 4.453 ( -8.273 -1.460 6.615) 10.692 4.629 ( 1.895 -1.027 1.360) 2.549 4.849 ( -2.722 1.777 -0.211) 3.257 4.922 ( 2.115 1.372 -1.866) 3.136 6.740 ( -1.762 -0.120 0.202) 1.778 6.780 ( -1.720 0.588 -0.353) 1.852 6.808 ( -2.120 -0.260 -0.045) 2.137 6.843 ( -4.530 -1.471 -0.415) 4.781 7.184 ( 2.056 -1.488 3.515) 4.336 7.298 ( 3.879 -1.062 -0.743) 4.090 7.376 ( 0.788 -1.236 0.814) 1.677 7.479 ( -5.915 -0.142 -1.823) 6.191 7.493 ( -7.708 1.245 2.246) 8.125 7.562 ( -1.488 1.740 0.758) 2.412 7.599 ( -1.027 -0.629 0.578) 1.336 7.718 ( -2.626 -1.469 -3.452) 4.580 7.787 ( 0.305 0.854 0.402) 0.992 7.907 ( 7.757 0.742 -4.664) 9.082 8.448 ( -4.490 -0.054 0.776) 4.557 8.490 ( -7.197 0.105 -0.984) 7.265 8.691 ( 9.303 -10.577 6.706) 15.601 8.975 ( 7.355 -5.120 -0.014) 8.962 9.123 ( 1.707 -1.491 2.002) 3.024 9.435 ( 1.530 0.198 -8.208) 8.351 9.767 ( 3.380 1.676 5.080) 6.328 9.904 ( 5.095 0.596 -1.618) 5.379 ======================= Grid point 222 (84/147) ======================= q-point: (-0.38 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( -15.821 5.989 4.531) 17.512 1.674 ( -8.518 13.898 2.800) 16.540 2.032 ( -10.752 8.611 -7.473) 15.672 2.143 ( -8.055 0.657 -6.561) 10.410 2.339 ( -8.760 -2.218 -0.994) 9.091 2.395 ( -10.941 -1.082 -2.614) 11.301 2.683 ( -8.572 -2.109 3.516) 9.502 2.698 ( -3.955 -4.119 2.485) 6.228 2.860 ( -3.901 0.767 5.543) 6.822 2.966 ( -5.559 -0.519 8.564) 10.223 3.085 ( -21.528 1.098 -0.135) 21.557 3.200 ( -15.849 -4.300 2.050) 16.549 3.281 ( -14.040 -0.684 3.942) 14.599 3.318 ( -1.211 1.317 -4.808) 5.130 3.418 ( -6.617 -1.302 -1.852) 6.994 3.558 ( -3.145 -3.218 -7.159) 8.456 3.712 ( -3.517 0.289 2.166) 4.141 3.828 ( 0.046 -0.606 -4.915) 4.952 3.870 ( -7.701 5.476 0.803) 9.484 4.004 ( -4.424 7.980 -3.502) 9.773 4.042 ( -2.141 -3.359 -0.691) 4.043 4.072 ( -3.515 -2.084 -1.447) 4.334 4.441 ( 2.053 -5.240 5.244) 7.693 4.649 ( -3.241 -8.808 -3.704) 10.090 4.844 ( 3.941 3.824 5.402) 7.703 4.995 ( 5.504 2.766 -1.823) 6.424 6.659 ( -12.630 -0.902 0.537) 12.673 6.690 ( -6.818 -1.725 -0.018) 7.033 6.714 ( -7.505 -2.390 -0.648) 7.903 6.750 ( -4.999 -2.170 -1.134) 5.566 7.098 ( -11.258 4.260 2.193) 12.236 7.179 ( -12.930 0.406 -2.044) 13.097 7.287 ( -4.273 -1.281 4.555) 6.375 7.426 ( 5.222 -1.420 -1.444) 5.601 7.510 ( 3.214 -2.722 0.891) 4.305 7.568 ( 3.443 0.398 1.044) 3.620 7.632 ( -2.719 2.539 -4.787) 6.063 7.668 ( 4.397 -1.106 0.421) 4.554 7.883 ( 5.707 -1.364 2.756) 6.483 8.088 ( 9.178 2.611 -6.661) 11.637 8.320 ( -7.619 1.764 0.281) 7.826 8.343 ( -6.627 -0.790 -1.280) 6.796 8.945 ( 9.877 -8.542 4.388) 13.776 9.142 ( 3.583 -5.564 -2.996) 7.264 9.182 ( 6.186 -0.772 8.653) 10.665 9.470 ( 2.091 0.077 -5.774) 6.142 9.828 ( 4.016 3.081 4.717) 6.919 10.010 ( 6.051 0.932 -3.277) 6.944 ======================= Grid point 223 (85/147) ======================= q-point: (-0.31 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( -10.384 11.849 7.511) 17.454 1.442 ( -4.377 21.776 7.723) 23.516 1.782 ( -8.251 12.191 -12.308) 19.188 1.950 ( -10.248 7.110 -10.719) 16.446 2.117 ( -13.109 10.172 2.662) 16.805 2.210 ( -6.138 0.783 -0.094) 6.189 2.413 ( -14.741 8.357 6.747) 18.239 2.595 ( -9.659 -3.552 1.240) 10.366 2.654 ( -15.178 -1.339 4.093) 15.777 2.775 ( -0.544 -2.883 2.641) 3.948 2.857 ( -2.144 -3.483 0.820) 4.171 2.990 ( -9.425 -6.346 5.502) 12.624 3.094 ( -6.530 -3.319 6.393) 9.723 3.274 ( -4.188 4.817 -11.632) 13.268 3.329 ( -1.226 -5.556 -1.477) 5.878 3.550 ( -0.283 -4.693 -5.366) 7.134 3.692 ( -0.135 -1.831 1.646) 2.466 3.737 ( -3.624 -0.511 -0.255) 3.669 3.840 ( -0.376 -1.454 -1.782) 2.331 3.918 ( -0.623 6.308 -5.292) 8.257 4.058 ( 1.332 -2.774 1.407) 3.383 4.104 ( 2.688 -3.810 -0.073) 4.663 4.525 ( 1.924 -7.003 2.521) 7.688 4.639 ( -1.994 -8.073 -0.446) 8.328 4.929 ( 4.699 -1.317 4.460) 6.611 5.081 ( 4.790 4.877 -2.048) 7.136 6.290 ( -19.988 0.865 0.749) 20.020 6.358 ( -23.527 -2.779 -2.556) 23.828 6.649 ( -3.294 -3.609 0.512) 4.913 6.680 ( -3.593 -2.611 -0.733) 4.502 6.926 ( -4.128 1.119 1.110) 4.419 6.979 ( -5.641 -0.307 -1.309) 5.799 7.264 ( 0.541 4.938 5.752) 7.600 7.517 ( 3.016 -2.544 -1.604) 4.259 7.558 ( -0.126 5.602 -7.071) 9.022 7.607 ( 2.035 -5.733 -1.837) 6.355 7.653 ( 3.685 0.032 2.800) 4.628 7.757 ( 3.463 -0.707 0.598) 3.585 7.994 ( 4.599 -0.985 3.460) 5.839 8.116 ( -4.903 1.452 -0.276) 5.121 8.179 ( -5.728 1.464 -0.388) 5.925 8.305 ( 3.580 3.010 -8.303) 9.530 9.138 ( 5.082 -4.395 2.857) 7.301 9.190 ( 0.998 -3.149 1.797) 3.761 9.360 ( 7.710 -4.753 7.443) 11.723 9.512 ( 2.009 0.158 -3.612) 4.136 9.880 ( 3.016 3.962 5.233) 7.224 10.121 ( 5.105 0.573 -4.701) 6.963 ======================= Grid point 224 (86/147) ======================= q-point: (-0.23 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( -0.000 15.300 11.435) 19.101 1.257 ( -0.000 26.728 9.688) 28.429 1.580 ( -0.000 19.136 -10.815) 21.981 1.755 ( -0.000 13.017 -14.240) 19.293 1.822 ( -0.000 26.000 12.474) 28.838 2.172 ( 0.000 -2.409 -5.187) 5.719 2.215 ( -0.000 2.199 9.345) 9.600 2.462 ( 0.000 -1.035 -3.790) 3.929 2.582 ( 0.000 -7.611 6.119) 9.766 2.837 ( 0.000 -5.497 1.384) 5.668 2.887 ( 0.000 -5.374 -0.835) 5.439 2.897 ( 0.000 -8.036 6.972) 10.639 3.035 ( 0.000 -1.417 6.225) 6.384 3.189 ( -0.000 7.787 -16.613) 18.347 3.360 ( 0.000 -7.395 0.628) 7.421 3.579 ( 0.000 -5.005 -4.458) 6.703 3.702 ( 0.000 -2.525 0.239) 2.537 3.714 ( 0.000 -1.617 -0.250) 1.636 3.849 ( 0.000 -3.122 -1.884) 3.646 3.884 ( -0.000 4.871 -4.606) 6.704 4.091 ( 0.000 -2.764 3.032) 4.102 4.172 ( 0.000 -4.913 0.911) 4.997 4.585 ( 0.000 -7.366 2.279) 7.710 4.665 ( 0.000 -5.622 1.096) 5.728 5.007 ( 0.000 -4.734 2.053) 5.160 5.103 ( -0.000 5.886 -1.438) 6.059 6.037 ( -0.000 2.942 0.258) 2.953 6.049 ( -0.000 2.579 -0.250) 2.591 6.636 ( 0.000 -4.297 0.424) 4.318 6.657 ( 0.000 -3.192 -0.461) 3.225 6.888 ( -0.000 0.043 0.975) 0.976 6.933 ( 0.000 -0.600 -0.926) 1.103 7.230 ( -0.000 8.260 4.870) 9.589 7.507 ( -0.000 8.985 -9.047) 12.750 7.570 ( 0.000 -3.687 -1.898) 4.147 7.676 ( 0.000 -6.592 1.844) 6.845 7.694 ( 0.000 -1.568 -0.797) 1.759 7.799 ( 0.000 -1.190 1.124) 1.637 8.042 ( -0.000 0.834 0.794) 1.152 8.075 ( -0.000 0.040 2.925) 2.925 8.079 ( -0.000 0.801 -0.805) 1.136 8.325 ( -0.000 5.241 -8.853) 10.288 9.191 ( 0.000 -1.545 3.654) 3.967 9.234 ( 0.000 -4.693 2.961) 5.549 9.478 ( 0.000 -5.749 5.743) 8.126 9.536 ( 0.000 -0.009 -1.971) 1.971 9.892 ( -0.000 3.180 6.665) 7.385 10.178 ( 0.000 -0.372 -5.560) 5.572 ======================= Grid point 231 (87/147) ======================= q-point: (-0.69 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( -9.742 -0.000 -1.383) 9.840 2.412 ( -10.174 -0.000 -2.833) 10.561 2.442 ( -3.478 -0.000 3.168) 4.705 2.642 ( -5.699 -0.000 -6.039) 8.304 2.726 ( -7.496 -0.000 2.136) 7.794 2.832 ( -1.955 -0.000 -4.280) 4.705 2.945 ( -3.859 -0.000 8.115) 8.986 2.982 ( -5.119 -0.000 5.943) 7.844 3.040 ( -3.443 -0.000 1.005) 3.587 3.054 ( -5.501 -0.000 0.540) 5.527 3.243 ( -1.645 -0.000 -1.471) 2.207 3.331 ( -1.225 -0.000 5.220) 5.362 3.399 ( 0.697 0.000 -2.510) 2.605 3.473 ( 0.759 0.000 -0.477) 0.897 3.566 ( -0.941 -0.000 -6.976) 7.039 3.727 ( 3.093 0.000 -11.288) 11.704 3.883 ( -3.917 -0.000 -0.193) 3.922 3.918 ( -3.089 -0.000 -3.105) 4.380 4.145 ( 1.196 0.000 7.676) 7.768 4.261 ( -0.524 -0.000 -0.439) 0.684 4.397 ( 7.776 0.000 -0.160) 7.778 4.431 ( 8.083 0.000 -1.363) 8.197 4.727 ( -3.287 -0.000 12.498) 12.923 5.107 ( -4.378 -0.000 -4.399) 6.206 5.203 ( -9.913 -0.000 2.080) 10.129 5.361 ( -9.929 -0.000 -3.458) 10.514 6.731 ( -3.102 -0.000 0.787) 3.200 6.786 ( -0.101 -0.000 -2.568) 2.570 6.952 ( -6.316 -0.000 0.806) 6.367 6.988 ( -4.321 -0.000 -0.304) 4.331 7.054 ( 2.610 0.000 5.652) 6.226 7.199 ( 4.444 0.000 -0.144) 4.446 7.317 ( -3.624 -0.000 -0.821) 3.716 7.429 ( -0.458 -0.000 -5.044) 5.064 7.560 ( 0.663 0.000 1.769) 1.889 7.622 ( -0.871 -0.000 -0.576) 1.044 7.706 ( 1.207 0.000 1.338) 1.802 7.764 ( -4.988 -0.000 -0.754) 5.044 7.927 ( -1.800 -0.000 0.835) 1.985 8.034 ( -5.231 -0.000 -4.766) 7.077 8.313 ( 3.241 0.000 6.469) 7.235 8.478 ( 7.393 0.000 -4.549) 8.680 8.510 ( -1.473 -0.000 6.602) 6.764 8.797 ( -0.216 -0.000 3.455) 3.462 9.056 ( 0.239 0.000 -2.801) 2.811 9.363 ( 2.975 0.000 -10.875) 11.274 9.685 ( 1.156 0.000 5.153) 5.282 9.750 ( 2.858 0.000 1.087) 3.058 ======================= Grid point 233 (88/147) ======================= q-point: (-0.62 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( -13.131 0.383 0.811) 13.162 2.196 ( -10.119 0.342 -3.546) 10.728 2.395 ( -2.946 0.209 0.695) 3.034 2.459 ( -9.518 -1.948 -3.551) 10.344 2.598 ( -7.724 -0.443 2.021) 7.996 2.765 ( -6.721 -0.284 -5.371) 8.608 2.860 ( -5.914 0.812 6.852) 9.087 2.894 ( -5.006 -2.577 8.780) 10.430 2.923 ( -6.087 -0.622 1.455) 6.289 2.953 ( -3.877 -1.887 1.660) 4.620 3.247 ( 1.473 1.663 -3.261) 3.946 3.355 ( 2.222 -0.763 0.679) 2.446 3.362 ( -1.048 -2.181 -3.923) 4.609 3.511 ( -0.064 0.423 -0.966) 1.056 3.575 ( 1.943 0.051 -1.585) 2.508 3.777 ( -2.671 0.312 -7.588) 8.050 3.790 ( -1.448 0.093 -2.312) 2.730 3.863 ( -2.415 -0.099 -5.023) 5.575 4.151 ( -0.615 0.711 5.316) 5.398 4.213 ( -4.448 0.227 0.237) 4.460 4.513 ( 4.678 2.754 0.787) 5.485 4.546 ( -3.112 -0.572 3.880) 5.006 4.631 ( -3.297 -1.418 6.026) 7.014 4.887 ( -20.026 1.660 3.450) 20.389 4.981 ( -7.971 0.805 -4.401) 9.141 5.079 ( -15.306 2.127 -3.128) 15.767 6.740 ( 3.045 0.566 0.867) 3.217 6.800 ( 0.926 0.692 -2.090) 2.389 6.844 ( -4.392 -0.612 1.408) 4.653 6.902 ( -4.238 -0.831 -0.867) 4.405 7.109 ( 2.704 -0.057 4.713) 5.434 7.256 ( -1.127 -0.634 -1.292) 1.828 7.287 ( 3.334 -0.823 1.285) 3.667 7.451 ( 2.630 -0.337 -5.189) 5.827 7.595 ( 2.332 1.583 0.351) 2.840 7.633 ( 1.227 -0.329 -0.195) 1.285 7.653 ( -4.501 -0.266 0.848) 4.588 7.677 ( -3.409 -0.748 1.093) 3.657 7.890 ( -2.572 0.997 -0.888) 2.898 7.923 ( -6.676 0.288 -3.288) 7.447 8.397 ( 5.215 -3.479 9.897) 11.716 8.495 ( -0.977 -0.221 2.566) 2.754 8.579 ( 1.058 -0.109 -4.703) 4.821 8.804 ( 2.316 -1.377 -0.147) 2.699 9.075 ( 1.377 -0.379 1.164) 1.843 9.409 ( 1.687 0.096 -10.287) 10.424 9.722 ( 2.577 0.206 5.551) 6.123 9.818 ( 4.037 0.040 0.056) 4.037 ======================= Grid point 234 (89/147) ======================= q-point: (-0.54 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( -14.832 1.310 1.274) 14.944 2.002 ( -7.960 5.538 -5.905) 11.354 2.298 ( -9.024 -0.436 -2.276) 9.317 2.313 ( -4.359 2.164 -1.472) 5.085 2.447 ( -7.840 -1.914 1.510) 8.210 2.588 ( -10.088 0.461 -3.443) 10.670 2.723 ( -8.557 -6.847 2.427) 11.225 2.743 ( -8.039 -2.845 2.146) 8.794 2.914 ( 0.491 -4.007 10.476) 11.227 2.915 ( -1.620 -0.399 6.262) 6.481 3.258 ( 0.912 2.255 -3.935) 4.627 3.336 ( -4.132 -2.631 -1.904) 5.256 3.407 ( -1.851 -1.002 0.328) 2.130 3.468 ( -3.549 -0.785 -2.516) 4.421 3.588 ( -2.249 0.271 -2.183) 3.146 3.610 ( -9.715 1.162 0.264) 9.788 3.812 ( 0.110 0.396 -5.503) 5.519 3.827 ( -2.041 -0.223 -6.319) 6.644 4.061 ( -9.416 0.071 -0.098) 9.417 4.109 ( -5.118 0.436 -1.117) 5.257 4.318 ( -14.482 1.725 8.301) 16.781 4.436 ( -18.445 7.148 -0.611) 19.792 4.446 ( -9.806 2.309 3.169) 10.560 4.602 ( -3.938 -3.842 -0.258) 5.507 4.866 ( -1.525 1.151 0.393) 1.950 4.931 ( 1.659 0.354 -1.706) 2.406 6.738 ( -3.116 -0.108 0.519) 3.161 6.787 ( -2.342 0.533 -0.864) 2.553 6.801 ( -2.558 -0.666 -0.058) 2.644 6.827 ( -4.313 -1.167 -0.366) 4.483 7.170 ( 2.856 -0.849 3.552) 4.635 7.289 ( 4.123 -0.540 -1.588) 4.451 7.365 ( 3.685 -0.622 2.214) 4.344 7.476 ( -5.400 -0.260 -1.623) 5.645 7.507 ( -10.651 0.961 2.272) 10.933 7.579 ( -0.167 0.688 1.808) 1.942 7.598 ( -3.623 0.891 -1.337) 3.963 7.695 ( 0.552 -2.137 -2.297) 3.186 7.798 ( -2.215 0.812 0.266) 2.374 7.915 ( 8.077 0.619 -5.117) 9.582 8.442 ( -4.462 -0.822 1.726) 4.854 8.498 ( -5.825 1.218 -0.782) 6.002 8.593 ( 9.536 -6.234 6.397) 13.066 8.925 ( 7.380 -3.194 -3.180) 8.647 9.113 ( 2.282 -0.402 4.004) 4.626 9.437 ( 1.460 0.120 -8.198) 8.328 9.782 ( 3.784 0.836 4.916) 6.260 9.908 ( 5.141 0.159 -1.267) 5.297 ======================= Grid point 235 (90/147) ======================= q-point: (-0.46 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( -13.449 4.550 1.562) 14.284 1.823 ( -5.378 10.453 -6.085) 13.237 2.091 ( -10.402 3.848 -2.641) 11.401 2.200 ( -4.260 7.780 -2.872) 9.323 2.309 ( -7.727 -2.944 -0.478) 8.283 2.383 ( -10.214 -0.596 -2.208) 10.467 2.617 ( -6.937 -8.228 2.075) 10.960 2.653 ( -3.513 -4.054 0.379) 5.378 2.870 ( -3.282 0.985 7.887) 8.599 2.945 ( -0.758 -2.841 11.993) 12.348 3.097 ( -20.506 1.005 0.249) 20.532 3.164 ( -19.098 -1.847 -0.076) 19.187 3.251 ( -9.249 -1.984 0.255) 9.462 3.368 ( -7.232 4.337 -1.402) 8.549 3.403 ( -5.527 -1.275 -0.443) 5.690 3.524 ( -4.367 -2.534 -9.697) 10.932 3.718 ( -4.568 0.738 1.498) 4.863 3.814 ( -1.983 -1.652 -3.991) 4.753 3.921 ( -5.082 2.406 1.011) 5.713 4.005 ( -2.511 -2.336 -1.937) 3.938 4.092 ( -6.485 5.540 -0.220) 8.532 4.102 ( -5.645 8.670 -0.255) 10.349 4.386 ( 1.115 -4.184 2.424) 4.963 4.531 ( -6.868 -11.453 -2.710) 13.627 4.884 ( 3.355 2.968 4.370) 6.257 5.018 ( 6.021 1.343 -2.004) 6.486 6.651 ( -12.816 -0.540 0.525) 12.839 6.672 ( -5.628 -1.405 0.621) 5.834 6.689 ( -10.697 -1.775 -0.789) 10.872 6.726 ( -4.928 -1.776 -1.234) 5.382 7.137 ( -12.835 2.551 1.242) 13.145 7.181 ( -13.062 -0.055 -1.187) 13.116 7.269 ( -2.430 -1.673 4.361) 5.265 7.405 ( 3.666 -2.051 -1.789) 4.566 7.506 ( 5.471 1.639 2.915) 6.412 7.574 ( 2.924 0.633 0.674) 3.066 7.648 ( 3.004 -0.880 -0.544) 3.177 7.662 ( -0.459 1.224 -2.698) 2.998 7.866 ( 5.474 -1.493 3.686) 6.766 8.116 ( 10.220 2.075 -8.359) 13.365 8.331 ( -6.315 -0.757 -0.392) 6.372 8.342 ( -7.855 1.538 -0.327) 8.011 8.859 ( 12.038 -6.158 4.497) 14.250 9.086 ( 5.431 -3.912 -4.235) 7.920 9.178 ( 4.882 -0.162 8.234) 9.573 9.471 ( 2.011 0.028 -5.678) 6.023 9.858 ( 4.550 2.027 4.335) 6.603 10.018 ( 6.027 0.417 -2.717) 6.624 ======================= Grid point 236 (91/147) ======================= q-point: (-0.38 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( -8.354 9.046 3.080) 12.693 1.677 ( -1.414 16.881 -2.438) 17.114 1.867 ( -9.307 4.682 -8.877) 13.687 2.050 ( -5.846 10.286 -6.729) 13.611 2.176 ( -6.602 1.309 0.436) 6.745 2.226 ( -4.116 1.093 -0.042) 4.259 2.498 ( -12.770 4.116 3.136) 13.778 2.559 ( -7.612 -2.071 2.576) 8.298 2.659 ( -17.386 1.320 2.731) 17.648 2.744 ( -4.010 -3.274 1.785) 5.476 2.840 ( -4.503 1.519 6.307) 7.897 2.919 ( -9.654 -5.160 6.867) 12.922 3.047 ( -7.665 -4.981 5.928) 10.896 3.264 ( -4.737 -2.991 -2.231) 6.030 3.335 ( -0.277 3.517 -6.061) 7.013 3.504 ( -0.240 -2.959 -7.600) 8.159 3.674 ( -0.882 -1.089 1.941) 2.394 3.733 ( -4.763 -0.510 -0.669) 4.837 3.836 ( -1.624 1.166 1.238) 2.352 3.988 ( -0.903 4.431 -4.856) 6.635 4.039 ( 1.846 0.110 0.354) 1.882 4.070 ( 1.722 -1.634 -0.597) 2.447 4.451 ( 0.906 -6.198 -0.849) 6.321 4.506 ( -2.310 -13.502 -1.216) 13.752 4.939 ( 3.506 2.234 6.184) 7.451 5.121 ( 4.835 2.221 -2.644) 5.942 6.301 ( -18.441 0.952 0.538) 18.474 6.339 ( -20.793 -0.799 -1.199) 20.843 6.610 ( -3.659 -3.052 0.787) 4.829 6.652 ( -3.713 -2.175 -0.947) 4.407 6.933 ( -5.645 0.325 0.896) 5.725 6.973 ( -6.200 -0.641 -0.840) 6.290 7.298 ( 1.790 0.736 5.726) 6.044 7.488 ( 2.765 -3.399 -1.848) 4.755 7.561 ( 2.155 0.867 -0.409) 2.359 7.623 ( -0.191 3.359 -2.397) 4.131 7.660 ( 4.058 1.386 0.927) 4.387 7.747 ( 3.906 -1.045 -0.045) 4.044 7.980 ( 4.809 -1.505 4.423) 6.705 8.135 ( -5.454 1.811 -0.420) 5.762 8.190 ( -6.747 0.374 -0.299) 6.764 8.334 ( 5.449 2.041 -10.160) 11.708 9.087 ( 7.080 -4.107 1.605) 8.341 9.160 ( 1.257 -2.328 -0.043) 2.646 9.314 ( 6.530 -3.087 7.974) 10.759 9.512 ( 2.010 -0.039 -3.443) 3.987 9.924 ( 3.285 3.414 4.396) 6.463 10.127 ( 4.729 0.452 -4.017) 6.221 ======================= Grid point 237 (92/147) ======================= q-point: (-0.31 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -0.000 12.220 5.961) 13.596 1.552 ( -0.000 24.051 6.426) 24.894 1.724 ( -0.000 5.641 -19.264) 20.073 1.903 ( -0.000 12.197 -10.567) 16.138 2.057 ( -0.000 12.626 4.953) 13.563 2.212 ( -0.000 7.451 -2.325) 7.805 2.243 ( -0.000 2.485 7.478) 7.881 2.449 ( 0.000 -1.160 -3.443) 3.633 2.525 ( -0.000 0.452 15.417) 15.424 2.767 ( 0.000 -6.453 1.392) 6.601 2.814 ( 0.000 -7.114 -0.744) 7.153 2.827 ( 0.000 -3.532 7.194) 8.014 2.997 ( 0.000 -4.705 4.729) 6.671 3.241 ( 0.000 -1.828 -4.773) 5.111 3.314 ( -0.000 1.984 -5.236) 5.600 3.524 ( 0.000 -3.918 -6.542) 7.626 3.674 ( 0.000 -2.212 0.465) 2.260 3.696 ( 0.000 -1.521 -0.444) 1.584 3.821 ( 0.000 -1.325 1.455) 1.968 3.948 ( -0.000 5.972 -5.950) 8.431 4.072 ( 0.000 -1.278 1.151) 1.720 4.115 ( 0.000 -4.513 0.508) 4.541 4.497 ( 0.000 -8.095 0.086) 8.096 4.563 ( 0.000 -11.113 -0.458) 11.123 4.978 ( 0.000 -0.280 5.841) 5.848 5.158 ( -0.000 3.403 -2.525) 4.237 6.072 ( -0.000 3.051 0.147) 3.054 6.079 ( -0.000 2.557 -0.147) 2.561 6.589 ( 0.000 -3.746 0.732) 3.817 6.624 ( 0.000 -2.505 -0.747) 2.614 6.885 ( 0.000 -0.573 0.819) 1.000 6.923 ( 0.000 -1.123 -0.784) 1.370 7.304 ( -0.000 3.816 6.006) 7.115 7.533 ( 0.000 -1.785 -0.927) 2.012 7.595 ( 0.000 -5.048 -0.782) 5.108 7.599 ( -0.000 5.556 -6.267) 8.375 7.697 ( -0.000 1.041 1.868) 2.138 7.793 ( 0.000 -0.281 0.111) 0.302 8.051 ( -0.000 0.765 0.788) 1.098 8.069 ( 0.000 -1.038 4.184) 4.311 8.088 ( -0.000 0.746 -0.799) 1.093 8.377 ( -0.000 3.723 -10.767) 11.393 9.170 ( 0.000 -2.124 1.913) 2.859 9.188 ( 0.000 -3.135 1.183) 3.351 9.413 ( 0.000 -5.152 7.296) 8.932 9.537 ( 0.000 -0.045 -2.248) 2.248 9.936 ( -0.000 4.051 4.941) 6.389 10.177 ( -0.000 0.060 -4.839) 4.839 ======================= Grid point 246 (93/147) ======================= q-point: (-0.62 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( -14.358 -0.000 0.720) 14.376 2.038 ( -7.001 -0.000 -9.452) 11.762 2.300 ( -5.770 -0.000 0.860) 5.834 2.320 ( -4.988 -0.000 0.226) 4.993 2.438 ( -7.788 -0.000 0.903) 7.841 2.598 ( -9.231 -0.000 -4.480) 10.261 2.671 ( -10.757 -0.000 3.642) 11.356 2.724 ( -8.782 -0.000 1.276) 8.875 2.887 ( 0.087 0.000 10.079) 10.080 2.917 ( -0.733 -0.000 7.748) 7.783 3.280 ( 0.421 0.000 -3.549) 3.574 3.313 ( -3.037 -0.000 -3.482) 4.620 3.401 ( -1.381 -0.000 -0.149) 1.389 3.464 ( -4.594 -0.000 -2.210) 5.098 3.589 ( -1.547 -0.000 -2.046) 2.565 3.617 ( -10.396 -0.000 0.229) 10.399 3.815 ( 0.496 0.000 -5.783) 5.804 3.826 ( -1.836 -0.000 -6.386) 6.644 4.062 ( -11.142 -0.000 0.446) 11.151 4.111 ( -4.997 -0.000 -0.650) 5.039 4.327 ( -12.533 -0.000 10.440) 16.311 4.444 ( -14.842 -0.000 1.353) 14.904 4.533 ( -10.646 -0.000 -1.653) 10.774 4.542 ( -9.508 -0.000 -0.038) 9.508 4.873 ( -1.153 -0.000 0.653) 1.325 4.933 ( 1.640 0.000 -1.644) 2.322 6.737 ( -3.616 -0.000 0.550) 3.657 6.790 ( -2.913 -0.000 -1.854) 3.453 6.797 ( -2.488 -0.000 0.792) 2.611 6.820 ( -4.153 -0.000 -0.319) 4.166 7.165 ( 3.072 0.000 3.582) 4.719 7.285 ( 4.043 0.000 -1.876) 4.457 7.362 ( 4.735 0.000 2.619) 5.411 7.474 ( -5.074 -0.000 -1.639) 5.332 7.513 ( -11.587 -0.000 2.373) 11.827 7.581 ( 0.152 0.000 1.983) 1.989 7.608 ( -5.129 -0.000 -1.809) 5.439 7.679 ( 2.176 0.000 -1.865) 2.866 7.803 ( -2.866 -0.000 0.296) 2.882 7.919 ( 8.153 0.000 -5.349) 9.751 8.436 ( -3.912 -0.000 2.604) 4.699 8.510 ( -6.714 -0.000 -1.946) 6.990 8.553 ( 10.537 0.000 7.013) 12.657 8.906 ( 7.448 0.000 -4.122) 8.513 9.111 ( 2.440 0.000 4.511) 5.128 9.438 ( 1.432 0.000 -8.189) 8.313 9.787 ( 3.930 0.000 4.852) 6.244 9.909 ( 5.164 0.000 -1.136) 5.287 ======================= Grid point 248 (94/147) ======================= q-point: (-0.54 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( -12.223 1.712 -0.307) 12.346 1.893 ( -6.924 2.206 -14.569) 16.281 2.166 ( -6.179 8.331 4.145) 11.170 2.244 ( -3.881 -3.780 0.999) 5.509 2.297 ( -5.766 2.870 -1.662) 6.652 2.391 ( -10.571 2.140 -2.882) 11.164 2.514 ( -6.674 -7.753 2.635) 10.564 2.612 ( -3.074 -2.422 -1.911) 4.355 2.883 ( -1.390 1.150 11.174) 11.319 2.912 ( -0.146 -2.349 12.168) 12.394 3.106 ( -19.815 0.502 0.958) 19.844 3.151 ( -19.559 -0.687 -1.998) 19.673 3.245 ( -11.735 0.442 -0.200) 11.745 3.377 ( -5.750 -1.191 -0.255) 5.878 3.413 ( -5.571 1.633 -0.933) 5.880 3.503 ( -5.137 -0.952 -10.650) 11.862 3.726 ( -5.218 0.514 0.836) 5.310 3.797 ( -2.657 -0.958 -2.534) 3.794 3.932 ( -1.381 0.137 0.391) 1.442 3.987 ( -3.103 -0.828 -1.778) 3.671 4.151 ( -5.309 3.166 2.888) 6.823 4.226 ( -9.547 12.485 -0.642) 15.730 4.344 ( -0.630 -3.955 -0.975) 4.122 4.394 ( -9.303 -10.836 -1.115) 14.325 4.909 ( 3.481 1.134 3.582) 5.122 5.027 ( 6.031 0.314 -2.115) 6.399 6.647 ( -12.657 -0.173 0.505) 12.668 6.659 ( -4.999 -0.633 0.900) 5.119 6.675 ( -12.213 -0.559 -0.798) 12.252 6.712 ( -4.860 -0.695 -1.275) 5.072 7.158 ( -14.864 1.062 0.420) 14.908 7.179 ( -11.953 -0.235 -0.677) 11.974 7.253 ( -1.942 -0.810 4.388) 4.866 7.387 ( 2.550 -0.927 -1.479) 3.090 7.529 ( 8.511 1.584 3.295) 9.262 7.580 ( 1.860 0.278 0.372) 1.917 7.634 ( 3.378 -0.917 0.729) 3.576 7.675 ( -0.684 0.614 -2.811) 2.957 7.852 ( 5.219 -0.678 4.184) 6.723 8.133 ( 11.064 0.839 -9.872) 14.851 8.323 ( -6.998 -0.441 0.595) 7.037 8.357 ( -7.712 0.741 -0.782) 7.787 8.809 ( 13.323 -2.291 4.663) 14.300 9.055 ( 6.078 -1.383 -5.100) 8.054 9.177 ( 4.572 -0.032 8.123) 9.322 9.471 ( 1.953 0.007 -5.618) 5.947 9.874 ( 4.897 0.709 4.127) 6.443 10.021 ( 6.070 0.115 -2.387) 6.523 ======================= Grid point 249 (95/147) ======================= q-point: (-0.46 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( -7.199 5.083 -0.576) 8.831 1.767 ( -4.215 0.533 -15.978) 16.533 1.979 ( -6.214 13.417 4.089) 15.341 2.151 ( -7.069 4.892 -3.909) 9.444 2.169 ( -4.921 -0.725 -1.103) 5.095 2.242 ( -1.624 1.974 -1.328) 2.880 2.488 ( -2.379 -4.668 2.425) 5.773 2.558 ( -8.513 1.288 -1.729) 8.781 2.668 ( -18.445 -0.046 1.248) 18.488 2.703 ( -10.489 -3.211 0.538) 10.983 2.861 ( -3.249 0.933 11.353) 11.845 2.894 ( -7.418 0.862 9.967) 12.454 2.983 ( -9.871 -5.437 4.587) 12.167 3.245 ( -5.492 -0.902 -0.763) 5.618 3.374 ( 0.224 3.213 -3.570) 4.808 3.483 ( 0.748 -0.869 -9.778) 9.845 3.667 ( -1.637 -0.197 2.158) 2.716 3.725 ( -4.533 -0.662 -0.826) 4.655 3.868 ( -3.371 3.902 3.444) 6.201 3.992 ( 1.156 -1.441 -1.100) 2.150 4.068 ( 0.104 2.823 -0.702) 2.911 4.087 ( -1.187 4.519 -1.592) 4.936 4.321 ( -4.833 -15.056 0.080) 15.813 4.410 ( 2.785 -3.515 -5.574) 7.154 4.966 ( 2.994 2.086 5.649) 6.725 5.135 ( 4.585 0.372 -2.749) 5.359 6.311 ( -17.417 0.645 0.446) 17.435 6.335 ( -18.909 0.014 -0.647) 18.920 6.582 ( -3.797 -1.819 0.978) 4.323 6.631 ( -3.584 -1.265 -1.121) 3.963 6.935 ( -6.598 0.036 0.711) 6.636 6.966 ( -6.633 -0.461 -0.638) 6.679 7.293 ( 1.894 -0.926 4.914) 5.348 7.448 ( 2.287 -2.699 -1.690) 3.921 7.597 ( 2.131 4.002 0.882) 4.619 7.643 ( 1.137 0.476 1.509) 1.948 7.681 ( 3.055 1.546 0.150) 3.427 7.734 ( 4.863 -0.955 -1.016) 5.059 7.962 ( 4.910 -1.310 4.854) 7.027 8.156 ( -6.106 1.846 -0.473) 6.397 8.188 ( -7.055 -0.646 -0.342) 7.093 8.351 ( 6.273 0.942 -11.785) 13.384 9.049 ( 8.416 -2.387 1.311) 8.846 9.137 ( 1.875 -1.437 -1.661) 2.888 9.289 ( 5.415 -1.366 8.346) 10.042 9.512 ( 1.978 -0.059 -3.376) 3.913 9.955 ( 3.624 1.956 3.966) 5.717 10.131 ( 4.628 0.262 -3.461) 5.785 ======================= Grid point 250 (96/147) ======================= q-point: (-0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( -0.000 8.194 0.895) 8.243 1.737 ( 0.000 -1.841 -18.498) 18.590 1.803 ( -0.000 19.127 4.008) 19.542 2.022 ( -0.000 7.845 -6.420) 10.137 2.123 ( -0.000 0.576 0.787) 0.975 2.273 ( -0.000 2.904 5.079) 5.850 2.278 ( -0.000 4.365 -5.268) 6.841 2.437 ( 0.000 -0.790 -3.132) 3.230 2.592 ( -0.000 7.113 14.744) 16.370 2.692 ( 0.000 -6.248 1.135) 6.350 2.727 ( 0.000 -7.588 -0.505) 7.605 2.822 ( -0.000 2.234 11.480) 11.695 2.940 ( 0.000 -4.421 4.001) 5.963 3.206 ( 0.000 -2.400 1.085) 2.633 3.354 ( -0.000 3.800 -3.427) 5.117 3.499 ( 0.000 -0.554 -9.291) 9.308 3.653 ( 0.000 -1.378 0.596) 1.501 3.680 ( 0.000 -1.140 -0.539) 1.261 3.821 ( -0.000 1.307 4.336) 4.529 4.004 ( -0.000 2.104 -3.468) 4.056 4.062 ( -0.000 0.917 -0.827) 1.235 4.080 ( 0.000 -1.287 -1.046) 1.658 4.363 ( 0.000 -14.853 0.726) 14.871 4.466 ( 0.000 -5.045 -4.746) 6.926 4.989 ( -0.000 1.782 6.563) 6.800 5.182 ( -0.000 0.827 -2.951) 3.064 6.104 ( -0.000 2.336 0.006) 2.336 6.106 ( -0.000 1.937 -0.030) 1.937 6.552 ( 0.000 -2.574 1.032) 2.773 6.600 ( 0.000 -1.532 -1.027) 1.845 6.877 ( 0.000 -0.722 0.709) 1.012 6.909 ( 0.000 -1.080 -0.670) 1.270 7.318 ( 0.000 -0.620 5.448) 5.483 7.494 ( 0.000 -4.093 -1.790) 4.468 7.593 ( -0.000 3.352 0.936) 3.480 7.645 ( -0.000 2.556 -1.353) 2.892 7.713 ( -0.000 1.337 1.632) 2.110 7.791 ( -0.000 0.037 -0.972) 0.973 8.053 ( 0.000 -1.589 4.703) 4.965 8.059 ( -0.000 0.530 0.786) 0.948 8.096 ( -0.000 0.524 -0.795) 0.952 8.410 ( -0.000 1.998 -12.835) 12.990 9.144 ( 0.000 -2.078 0.158) 2.084 9.162 ( 0.000 -1.535 0.217) 1.550 9.364 ( 0.000 -3.291 8.043) 8.690 9.536 ( 0.000 -0.117 -2.297) 2.300 9.978 ( -0.000 3.093 4.173) 5.194 10.179 ( -0.000 0.241 -4.097) 4.104 ======================= Grid point 261 (97/147) ======================= q-point: (-0.54 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( -6.791 -0.000 -2.022) 7.086 1.763 ( -5.587 -0.000 -15.327) 16.313 2.087 ( -6.327 -0.000 2.546) 6.820 2.133 ( -3.273 -0.000 -0.153) 3.276 2.190 ( -9.327 -0.000 -2.545) 9.668 2.261 ( -0.603 -0.000 -3.183) 3.239 2.448 ( 1.397 0.000 2.849) 3.174 2.568 ( -4.457 -0.000 -3.715) 5.803 2.663 ( -20.617 -0.000 0.842) 20.634 2.683 ( -14.467 -0.000 0.835) 14.491 2.872 ( -2.051 -0.000 11.585) 11.766 2.903 ( -4.648 -0.000 12.580) 13.411 2.944 ( -12.327 -0.000 4.032) 12.969 3.239 ( -5.742 -0.000 -0.201) 5.746 3.396 ( 0.752 0.000 -3.588) 3.666 3.479 ( 1.318 0.000 -10.506) 10.589 3.667 ( -1.986 -0.000 2.218) 2.978 3.721 ( -4.173 -0.000 -0.826) 4.254 3.898 ( -3.333 -0.000 3.826) 5.074 3.982 ( 1.210 0.000 -0.837) 1.471 4.100 ( -1.220 -0.000 -0.486) 1.313 4.147 ( -5.414 -0.000 -0.884) 5.486 4.178 ( -2.246 -0.000 1.966) 2.985 4.390 ( 2.978 0.000 -8.381) 8.895 4.980 ( 2.896 0.000 5.197) 5.950 5.136 ( 4.424 0.000 -2.698) 5.182 6.315 ( -17.066 -0.000 0.424) 17.072 6.336 ( -18.248 -0.000 -0.505) 18.255 6.571 ( -3.819 -0.000 1.051) 3.961 6.624 ( -3.489 -0.000 -1.189) 3.686 6.935 ( -6.937 -0.000 0.636) 6.966 6.963 ( -6.803 -0.000 -0.581) 6.828 7.286 ( 1.843 0.000 4.640) 4.993 7.432 ( 2.107 0.000 -1.622) 2.660 7.632 ( 2.852 0.000 0.488) 2.893 7.637 ( 0.683 0.000 2.526) 2.616 7.689 ( 2.586 0.000 1.886) 3.201 7.729 ( 5.573 0.000 -2.043) 5.936 7.954 ( 4.929 0.000 4.937) 6.976 8.175 ( -7.290 -0.000 0.700) 7.324 8.176 ( -6.193 -0.000 -1.556) 6.385 8.357 ( 6.469 0.000 -12.464) 14.043 9.034 ( 8.912 0.000 1.350) 9.014 9.129 ( 2.129 0.000 -2.277) 3.117 9.281 ( 4.993 0.000 8.446) 9.811 9.511 ( 1.962 0.000 -3.358) 3.889 9.967 ( 3.767 0.000 3.833) 5.374 10.132 ( 4.616 0.000 -3.256) 5.648 ======================= Grid point 263 (98/147) ======================= q-point: (-0.46 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( -0.000 3.013 -2.230) 3.749 1.710 ( 0.000 -1.812 -14.861) 14.971 1.979 ( -0.000 10.497 1.865) 10.661 2.068 ( 0.000 -0.193 -2.023) 2.032 2.118 ( 0.000 -0.384 -2.317) 2.349 2.305 ( -0.000 2.049 2.648) 3.348 2.310 ( -0.000 1.074 -7.871) 7.944 2.432 ( 0.000 -0.119 -3.010) 3.012 2.634 ( 0.000 -3.086 0.796) 3.187 2.643 ( -0.000 2.011 11.683) 11.855 2.655 ( 0.000 -3.945 -0.238) 3.953 2.843 ( -0.000 0.423 9.460) 9.469 2.915 ( 0.000 -0.080 12.291) 12.291 3.187 ( 0.000 -1.028 0.910) 1.373 3.399 ( -0.000 3.058 -3.659) 4.768 3.500 ( -0.000 0.286 -10.258) 10.262 3.643 ( 0.000 -0.445 0.631) 0.772 3.670 ( 0.000 -0.433 -0.554) 0.703 3.846 ( -0.000 2.219 7.513) 7.834 4.000 ( 0.000 -0.996 -0.988) 1.403 4.081 ( -0.000 1.838 -1.246) 2.221 4.092 ( -0.000 1.850 -1.385) 2.311 4.203 ( 0.000 -10.487 1.746) 10.631 4.429 ( 0.000 -1.531 -9.260) 9.386 5.008 ( -0.000 1.024 6.033) 6.119 5.184 ( 0.000 -0.127 -2.950) 2.952 6.121 ( -0.000 0.701 0.044) 0.702 6.124 ( -0.000 0.913 -0.097) 0.919 6.531 ( 0.000 -0.926 1.231) 1.540 6.589 ( 0.000 -0.504 -1.208) 1.309 6.870 ( 0.000 -0.324 0.654) 0.730 6.900 ( 0.000 -0.445 -0.607) 0.753 7.308 ( 0.000 -0.681 4.818) 4.865 7.460 ( 0.000 -1.583 -1.735) 2.348 7.632 ( -0.000 2.357 2.290) 3.286 7.662 ( -0.000 0.489 0.144) 0.509 7.722 ( -0.000 0.278 2.466) 2.481 7.793 ( -0.000 0.222 -1.514) 1.531 8.037 ( 0.000 -0.821 4.694) 4.765 8.063 ( -0.000 0.189 0.786) 0.808 8.100 ( -0.000 0.188 -0.794) 0.816 8.424 ( -0.000 0.581 -14.302) 14.314 9.127 ( 0.000 -0.756 -0.212) 0.785 9.150 ( 0.000 -0.555 -0.725) 0.913 9.338 ( 0.000 -1.089 8.433) 8.503 9.535 ( 0.000 -0.054 -2.337) 2.338 10.003 ( -0.000 1.146 3.870) 4.036 10.181 ( -0.000 0.115 -3.661) 3.663 ======================= Grid point 350 (99/147) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( 0.000 0.000 -20.561) 20.561 0.836 ( 0.000 0.000 20.561) 20.561 1.037 ( 0.000 0.000 -25.685) 25.685 1.037 ( 0.000 0.000 25.685) 25.685 1.911 ( 0.000 0.000 -44.559) 44.559 1.911 ( 0.000 0.000 44.559) 44.559 2.362 ( 0.000 0.000 -8.426) 8.426 2.362 ( 0.000 0.000 8.426) 8.426 2.680 ( 0.000 0.000 -7.605) 7.605 2.680 ( 0.000 0.000 7.605) 7.605 2.959 ( 0.000 0.000 -1.150) 1.150 2.959 ( 0.000 0.000 1.150) 1.150 3.157 ( 0.000 0.000 -3.228) 3.228 3.157 ( 0.000 0.000 3.228) 3.228 3.674 ( 0.000 0.000 -0.701) 0.701 3.674 ( 0.000 0.000 0.701) 0.701 3.753 ( 0.000 0.000 -0.583) 0.583 3.753 ( 0.000 0.000 0.583) 0.583 3.817 ( 0.000 0.000 -5.956) 5.956 3.817 ( 0.000 0.000 5.956) 5.956 4.279 ( 0.000 0.000 -3.384) 3.384 4.279 ( 0.000 0.000 3.384) 3.384 4.664 ( 0.000 0.000 -2.801) 2.801 4.664 ( 0.000 0.000 2.801) 2.801 5.067 ( 0.000 0.000 -8.550) 8.550 5.067 ( 0.000 0.000 8.550) 8.550 5.988 ( 0.000 0.000 -0.530) 0.530 5.988 ( 0.000 0.000 0.530) 0.530 6.741 ( 0.000 0.000 -0.142) 0.142 6.741 ( 0.000 0.000 0.142) 0.142 6.898 ( 0.000 0.000 -1.861) 1.861 6.898 ( 0.000 0.000 1.861) 1.861 7.073 ( 0.000 0.000 -1.457) 1.457 7.073 ( 0.000 0.000 1.457) 1.457 7.720 ( 0.000 0.000 -2.306) 2.306 7.720 ( 0.000 0.000 2.306) 2.306 7.865 ( 0.000 0.000 -7.367) 7.367 7.865 ( 0.000 0.000 7.367) 7.367 8.043 ( 0.000 0.000 -1.157) 1.157 8.043 ( 0.000 0.000 1.157) 1.157 8.078 ( 0.000 0.000 -1.740) 1.740 8.078 ( 0.000 0.000 1.740) 1.740 9.358 ( 0.000 0.000 -8.002) 8.002 9.358 ( 0.000 0.000 8.002) 8.002 9.509 ( 0.000 0.000 -7.613) 7.613 9.509 ( 0.000 0.000 7.613) 7.613 10.098 ( 0.000 0.000 -2.692) 2.692 10.098 ( 0.000 0.000 2.692) 2.692 ======================= Grid point 352 (100/147) ======================= q-point: ( 0.08 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( 17.712 -3.936 -14.101) 22.979 1.049 ( 17.712 -3.936 14.101) 22.979 1.370 ( 23.012 -4.269 -19.411) 30.407 1.370 ( 23.012 -4.269 19.411) 30.407 2.081 ( 17.846 -0.939 -35.732) 39.951 2.081 ( 17.846 -0.939 35.732) 39.951 2.445 ( 6.722 -0.910 -5.953) 9.025 2.445 ( 6.722 -0.910 5.953) 9.025 2.749 ( 7.599 -0.711 -4.596) 8.910 2.749 ( 7.599 -0.711 4.596) 8.910 2.951 ( 0.185 0.968 -1.956) 2.191 2.951 ( 0.185 0.968 1.956) 2.191 3.221 ( 6.630 0.239 -2.160) 6.977 3.221 ( 6.630 0.239 2.160) 6.977 3.647 ( -1.435 4.295 -1.349) 4.725 3.647 ( -1.435 4.295 1.349) 4.725 3.746 ( -1.546 -1.253 -1.475) 2.477 3.746 ( -1.546 -1.253 1.475) 2.477 3.789 ( -1.117 -0.466 -1.691) 2.080 3.789 ( -1.117 -0.466 1.691) 2.080 4.240 ( -2.205 2.703 -3.896) 5.229 4.240 ( -2.205 2.703 3.896) 5.229 4.676 ( 0.891 -2.011 -2.491) 3.323 4.676 ( 0.891 -2.011 2.491) 3.323 5.002 ( -6.061 1.070 -8.093) 10.168 5.002 ( -6.061 1.070 8.093) 10.168 6.350 ( 28.014 0.791 -7.183) 28.931 6.350 ( 28.014 0.791 7.183) 28.931 6.754 ( 0.949 1.318 -0.077) 1.626 6.754 ( 0.949 1.318 0.077) 1.626 6.861 ( -0.921 -2.353 -1.068) 2.743 6.861 ( -0.921 -2.353 1.068) 2.743 7.190 ( 8.897 -1.554 -2.379) 9.339 7.190 ( 8.897 -1.554 2.379) 9.339 7.673 ( -4.191 0.805 -1.835) 4.646 7.673 ( -4.191 0.805 1.835) 4.646 7.806 ( -4.322 1.512 -5.487) 7.146 7.806 ( -4.322 1.512 5.487) 7.146 8.022 ( -4.396 -0.762 -2.289) 5.015 8.022 ( -4.396 -0.762 2.289) 5.015 8.146 ( 7.514 -0.449 -2.521) 7.939 8.146 ( 7.514 -0.449 2.521) 7.939 9.338 ( -1.690 1.186 -7.678) 7.951 9.338 ( -1.690 1.186 7.678) 7.951 9.481 ( -2.655 0.138 -5.678) 6.270 9.481 ( -2.655 0.138 5.678) 6.270 9.988 ( -8.788 0.378 -6.507) 10.941 9.988 ( -8.788 0.378 6.507) 10.941 ======================= Grid point 354 (101/147) ======================= q-point: ( 0.15 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( 21.107 -2.123 -4.742) 21.737 1.470 ( 21.107 -2.123 4.742) 21.737 1.781 ( 17.136 -3.972 -16.119) 23.859 1.781 ( 17.136 -3.972 16.119) 23.859 2.471 ( 12.726 6.109 -5.668) 15.212 2.471 ( 12.726 6.109 5.668) 15.212 2.644 ( 14.128 -7.678 -11.814) 19.953 2.644 ( 14.128 -7.678 11.814) 19.953 2.922 ( 6.406 -1.019 -4.507) 7.899 2.922 ( 6.406 -1.019 4.507) 7.899 3.096 ( 18.752 0.337 -2.346) 18.901 3.096 ( 18.752 0.337 2.346) 18.901 3.387 ( 8.826 0.406 -3.821) 9.626 3.387 ( 8.826 0.406 3.821) 9.626 3.595 ( 0.294 4.923 -4.324) 6.559 3.595 ( 0.294 4.923 4.324) 6.559 3.721 ( -1.792 -3.880 -2.454) 4.928 3.721 ( -1.792 -3.880 2.454) 4.928 3.789 ( 1.213 0.882 -2.495) 2.911 3.789 ( 1.213 0.882 2.495) 2.911 4.190 ( -0.535 3.446 -3.048) 4.631 4.190 ( -0.535 3.446 3.048) 4.631 4.716 ( 1.640 0.024 -0.683) 1.776 4.716 ( 1.640 0.024 0.683) 1.776 4.838 ( -9.077 -0.404 -6.764) 11.327 4.838 ( -9.077 -0.404 6.764) 11.327 6.716 ( 1.989 1.014 -1.060) 2.471 6.716 ( 1.989 1.014 1.060) 2.471 6.767 ( 5.605 -0.270 -0.814) 5.670 6.767 ( 5.605 -0.270 0.814) 5.670 7.023 ( 16.050 -2.259 -5.679) 17.174 7.023 ( 16.050 -2.259 5.679) 17.174 7.390 ( 10.131 0.030 -4.470) 11.074 7.390 ( 10.131 0.030 4.470) 11.074 7.556 ( -6.804 0.977 -1.347) 7.004 7.556 ( -6.804 0.977 1.347) 7.004 7.702 ( -4.844 1.844 -3.535) 6.274 7.702 ( -4.844 1.844 3.535) 6.274 7.917 ( -6.315 -1.310 -4.127) 7.657 7.917 ( -6.315 -1.310 4.127) 7.657 8.316 ( 8.703 -0.119 -2.140) 8.963 8.316 ( 8.703 -0.119 2.140) 8.963 9.280 ( -3.341 1.853 -7.686) 8.584 9.280 ( -3.341 1.853 7.686) 8.584 9.411 ( -3.114 3.916 -1.848) 5.334 9.411 ( -3.114 3.916 1.848) 5.334 9.831 ( -6.664 -2.449 -6.948) 9.933 9.831 ( -6.664 -2.449 6.948) 9.933 ======================= Grid point 356 (102/147) ======================= q-point: ( 0.23 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( 16.967 -0.115 -4.149) 17.468 1.854 ( 16.967 -0.115 4.149) 17.468 2.142 ( 17.164 -2.461 -6.975) 18.690 2.142 ( 17.164 -2.461 6.975) 18.690 2.582 ( 4.663 1.345 -1.614) 5.115 2.582 ( 4.663 1.345 1.614) 5.115 2.883 ( 8.062 1.793 -2.336) 8.583 2.883 ( 8.062 1.793 2.336) 8.583 3.087 ( 7.527 -1.211 -7.595) 10.762 3.087 ( 7.527 -1.211 7.595) 10.762 3.401 ( 5.277 2.691 -9.244) 10.979 3.401 ( 5.277 2.691 9.244) 10.979 3.499 ( 3.631 0.393 -2.217) 4.273 3.499 ( 3.631 0.393 2.217) 4.273 3.655 ( 4.968 2.786 -1.910) 6.008 3.655 ( 4.968 2.786 1.910) 6.008 3.734 ( 1.883 -1.247 -4.125) 4.703 3.734 ( 1.883 -1.247 4.125) 4.703 3.929 ( 14.596 -2.556 -3.477) 15.220 3.929 ( 14.596 -2.556 3.477) 15.220 4.207 ( 5.829 0.705 -3.014) 6.599 4.207 ( 5.829 0.705 3.014) 6.599 4.611 ( -8.685 -1.161 -5.266) 10.222 4.611 ( -8.685 -1.161 5.266) 10.222 4.804 ( 2.559 -1.067 -1.703) 3.254 4.804 ( 2.559 -1.067 1.703) 3.254 6.701 ( -1.319 -1.959 -1.221) 2.659 6.701 ( -1.319 -1.959 1.221) 2.659 6.864 ( 4.236 0.770 -1.232) 4.478 6.864 ( 4.236 0.770 1.232) 4.478 7.310 ( 8.610 0.258 -3.157) 9.174 7.310 ( 8.610 0.258 3.157) 9.174 7.397 ( -5.321 0.466 -2.657) 5.966 7.397 ( -5.321 0.466 2.657) 5.966 7.580 ( 3.501 1.756 -3.559) 5.292 7.580 ( 3.501 1.756 3.559) 5.292 7.625 ( 1.989 -1.056 -0.139) 2.257 7.625 ( 1.989 -1.056 0.139) 2.257 7.809 ( -4.536 -0.424 -4.381) 6.320 7.809 ( -4.536 -0.424 4.381) 6.320 8.463 ( 5.559 -0.008 -1.993) 5.906 8.463 ( 5.559 -0.008 1.993) 5.906 9.181 ( -4.969 4.057 -8.110) 10.340 9.181 ( -4.969 4.057 8.110) 10.340 9.320 ( -2.938 6.037 -6.198) 9.137 9.320 ( -2.938 6.037 6.198) 9.137 9.759 ( -2.994 -3.997 -4.434) 6.678 9.759 ( -2.994 -3.997 4.434) 6.678 ======================= Grid point 358 (103/147) ======================= q-point: ( 0.31 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( 13.456 0.383 -5.334) 14.480 2.151 ( 13.456 0.383 5.334) 14.480 2.417 ( 8.357 -0.572 -2.933) 8.875 2.417 ( 8.357 -0.572 2.933) 8.875 2.708 ( 9.179 -0.348 -0.492) 9.199 2.708 ( 9.179 -0.348 0.492) 9.199 3.001 ( 5.749 3.544 -1.266) 6.871 3.001 ( 5.749 3.544 1.266) 6.871 3.173 ( 1.887 2.314 -5.890) 6.604 3.173 ( 1.887 2.314 5.890) 6.604 3.407 ( -0.163 3.469 -9.920) 10.510 3.407 ( -0.163 3.469 9.920) 10.510 3.515 ( -1.326 -1.063 -5.732) 5.978 3.515 ( -1.326 -1.063 5.732) 5.978 3.658 ( -1.156 5.290 -4.149) 6.821 3.658 ( -1.156 5.290 4.149) 6.821 3.807 ( 4.255 2.487 -4.594) 6.738 3.807 ( 4.255 2.487 4.594) 6.738 4.082 ( 0.849 -1.203 -0.183) 1.484 4.082 ( 0.849 -1.203 0.183) 1.484 4.462 ( 3.842 -5.725 -4.656) 8.320 4.462 ( 3.842 -5.725 4.656) 8.320 4.599 ( 12.137 -8.351 -3.190) 15.074 4.599 ( 12.137 -8.351 3.190) 15.074 4.874 ( 5.848 0.997 -5.320) 7.968 4.874 ( 5.848 0.997 5.320) 7.968 6.699 ( 0.131 -1.467 -1.969) 2.459 6.699 ( 0.131 -1.467 1.969) 2.459 6.938 ( 3.821 0.914 -2.467) 4.639 6.938 ( 3.821 0.914 2.467) 4.639 7.258 ( -3.337 2.287 -4.652) 6.165 7.258 ( -3.337 2.287 4.652) 6.165 7.418 ( -1.072 0.266 -0.275) 1.138 7.418 ( -1.072 0.266 0.275) 1.138 7.564 ( 0.071 -0.170 -1.750) 1.759 7.564 ( 0.071 -0.170 1.750) 1.759 7.729 ( 1.310 -0.655 -1.663) 2.217 7.729 ( 1.310 -0.655 1.663) 2.217 7.804 ( 5.715 -0.442 -3.072) 6.503 7.804 ( 5.715 -0.442 3.072) 6.503 8.518 ( -0.213 -0.059 -2.679) 2.688 8.518 ( -0.213 -0.059 2.679) 2.688 9.041 ( -5.589 7.195 -7.876) 12.043 9.041 ( -5.589 7.195 7.876) 12.043 9.233 ( -3.131 3.324 -9.053) 10.139 9.233 ( -3.131 3.324 9.053) 10.139 9.738 ( -1.531 -2.790 -2.629) 4.128 9.738 ( -1.531 -2.790 2.629) 4.128 ======================= Grid point 360 (104/147) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.378 ( 9.415 0.424 -2.987) 9.886 2.378 ( 9.415 0.424 2.987) 9.886 2.504 ( 1.490 -1.113 -2.761) 3.329 2.504 ( 1.490 -1.113 2.761) 3.329 2.889 ( 7.583 2.576 -0.782) 8.046 2.889 ( 7.583 2.576 0.782) 8.046 3.073 ( 3.812 2.636 -1.639) 4.916 3.073 ( 3.812 2.636 1.639) 4.916 3.160 ( -0.937 2.833 -2.042) 3.616 3.160 ( -0.937 2.833 2.042) 3.616 3.395 ( 1.166 2.469 -10.627) 10.973 3.395 ( 1.166 2.469 10.627) 10.973 3.485 ( -1.631 -0.282 -8.202) 8.367 3.485 ( -1.631 -0.282 8.202) 8.367 3.579 ( -2.736 5.427 -4.157) 7.363 3.579 ( -2.736 5.427 4.157) 7.363 3.875 ( 3.982 1.454 -2.176) 4.765 3.875 ( 3.982 1.454 2.176) 4.765 4.079 ( -1.880 -3.127 -0.470) 3.678 4.079 ( -1.880 -3.127 0.470) 3.678 4.529 ( 0.274 -12.115 -6.642) 13.819 4.529 ( 0.274 -12.115 6.642) 13.819 4.752 ( 1.363 5.244 -4.131) 6.813 4.752 ( 1.363 5.244 4.131) 6.813 5.124 ( 14.056 -5.235 -7.111) 16.599 5.124 ( 14.056 -5.235 7.111) 16.599 6.726 ( 2.055 -0.189 -2.264) 3.063 6.726 ( 2.055 -0.189 2.264) 3.063 7.006 ( 3.575 0.595 -3.195) 4.831 7.006 ( 3.575 0.595 3.195) 4.831 7.222 ( 0.302 2.264 -4.843) 5.354 7.222 ( 0.302 2.264 4.843) 5.354 7.373 ( -1.782 -0.329 -0.949) 2.046 7.373 ( -1.782 -0.329 0.949) 2.046 7.559 ( -0.590 -0.062 -3.082) 3.138 7.559 ( -0.590 -0.062 3.082) 3.138 7.748 ( 0.160 -0.488 -3.586) 3.623 7.748 ( 0.160 -0.488 3.586) 3.623 7.937 ( 6.766 -0.344 -3.745) 7.740 7.937 ( 6.766 -0.344 3.745) 7.740 8.454 ( -5.820 0.696 -2.913) 6.545 8.454 ( -5.820 0.696 2.913) 6.545 8.901 ( -4.054 6.260 -8.756) 11.502 8.901 ( -4.054 6.260 8.756) 11.502 9.156 ( -3.413 0.923 -9.929) 10.540 9.156 ( -3.413 0.923 9.929) 10.540 9.724 ( -1.003 -1.269 -1.434) 2.162 9.724 ( -1.003 -1.269 1.434) 2.162 ======================= Grid point 362 (105/147) ======================= q-point: ( 0.46 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.488 ( 1.667 0.517 -1.197) 2.116 2.488 ( 1.667 0.517 1.197) 2.116 2.537 ( 1.836 -1.005 -2.399) 3.184 2.537 ( 1.836 -1.005 2.399) 3.184 2.948 ( 1.203 2.970 -0.923) 3.334 2.948 ( 1.203 2.970 0.923) 3.334 3.115 ( 0.326 0.647 -2.001) 2.128 3.115 ( 0.326 0.647 2.001) 2.128 3.149 ( 1.438 0.588 -2.536) 2.974 3.149 ( 1.438 0.588 2.536) 2.974 3.417 ( 1.233 0.281 -9.125) 9.213 3.417 ( 1.233 0.281 9.125) 9.213 3.466 ( -0.413 -0.221 -6.989) 7.005 3.466 ( -0.413 -0.221 6.989) 7.005 3.511 ( -1.631 2.280 -3.114) 4.190 3.511 ( -1.631 2.280 3.114) 4.190 3.937 ( 2.447 0.930 -0.681) 2.705 3.937 ( 2.447 0.930 0.681) 2.705 4.056 ( -1.504 -1.711 -0.236) 2.290 4.056 ( -1.504 -1.711 0.236) 2.290 4.603 ( 0.116 -10.948 -8.695) 13.981 4.603 ( 0.116 -10.948 8.695) 13.981 4.706 ( -0.637 8.477 -4.260) 9.508 4.706 ( -0.637 8.477 4.260) 9.508 5.340 ( 4.935 -2.256 -7.954) 9.629 5.340 ( 4.935 -2.256 7.954) 9.629 6.766 ( 1.428 0.165 -1.392) 2.001 6.766 ( 1.428 0.165 1.392) 2.001 7.074 ( 3.095 -0.530 -1.874) 3.657 7.074 ( 3.095 -0.529 1.874) 3.657 7.192 ( -2.131 1.702 -2.057) 3.416 7.192 ( -2.131 1.702 2.057) 3.416 7.385 ( 1.870 0.142 -0.740) 2.016 7.385 ( 1.870 0.142 0.740) 2.016 7.561 ( 0.568 -1.217 -2.297) 2.661 7.561 ( 0.568 -1.217 2.297) 2.661 7.725 ( -1.955 0.340 -5.493) 5.840 7.725 ( -1.955 0.340 5.493) 5.840 8.071 ( 6.048 -0.174 -2.882) 6.702 8.071 ( 6.048 -0.174 2.882) 6.702 8.311 ( -6.672 0.896 -2.474) 7.172 8.311 ( -6.672 0.896 2.474) 7.172 8.824 ( -1.246 2.185 -9.161) 9.500 8.824 ( -1.246 2.185 9.161) 9.500 9.098 ( -1.775 0.112 -9.825) 9.985 9.098 ( -1.775 0.112 9.825) 9.985 9.715 ( -0.351 -0.323 -0.551) 0.729 9.715 ( -0.351 -0.323 0.551) 0.729 ======================= Grid point 378 (106/147) ======================= q-point: ( 0.08 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( 22.243 0.000 -4.514) 22.697 1.458 ( 22.243 0.000 4.514) 22.697 1.757 ( 17.816 0.000 -16.761) 24.461 1.757 ( 17.816 0.000 16.761) 24.461 2.538 ( 7.666 0.000 -0.698) 7.697 2.538 ( 7.666 0.000 0.698) 7.697 2.567 ( 20.882 0.000 -15.301) 25.888 2.567 ( 20.882 0.000 15.301) 25.888 2.917 ( 6.115 0.000 -4.195) 7.416 2.917 ( 6.115 0.000 4.195) 7.416 3.098 ( 18.303 0.000 -1.850) 18.396 3.098 ( 18.303 0.000 1.850) 18.396 3.389 ( 9.085 0.000 -3.600) 9.772 3.389 ( 9.085 0.000 3.600) 9.772 3.633 ( -0.910 -0.000 -1.511) 1.764 3.633 ( -0.910 -0.000 1.511) 1.764 3.690 ( -1.640 -0.000 -4.139) 4.452 3.690 ( -1.640 -0.000 4.139) 4.452 3.795 ( 1.132 0.000 -2.527) 2.769 3.795 ( 1.132 0.000 2.527) 2.769 4.212 ( -1.191 -0.000 -3.563) 3.757 4.212 ( -1.191 -0.000 3.563) 3.757 4.713 ( 3.230 0.000 -0.881) 3.348 4.713 ( 3.230 0.000 0.881) 3.348 4.838 ( -10.534 -0.000 -7.971) 13.210 4.838 ( -10.534 -0.000 7.971) 13.210 6.723 ( -1.683 -0.000 -0.425) 1.736 6.723 ( -1.683 -0.000 0.425) 1.736 6.764 ( 7.964 0.000 -0.921) 8.017 6.764 ( 7.964 0.000 0.921) 8.017 7.010 ( 17.003 0.000 -5.742) 17.946 7.010 ( 17.003 0.000 5.742) 17.946 7.390 ( 10.956 0.000 -4.097) 11.697 7.390 ( 10.956 0.000 4.097) 11.697 7.561 ( -7.275 -0.000 -0.781) 7.317 7.561 ( -7.275 -0.000 0.781) 7.317 7.714 ( -5.145 -0.000 -4.310) 6.711 7.714 ( -5.145 -0.000 4.310) 6.711 7.909 ( -6.120 -0.000 -4.276) 7.466 7.909 ( -6.120 -0.000 4.276) 7.466 8.315 ( 8.824 0.000 -2.231) 9.101 8.315 ( 8.824 0.000 2.231) 9.101 9.289 ( -3.541 -0.000 -8.419) 9.134 9.289 ( -3.541 -0.000 8.419) 9.134 9.437 ( -1.826 -0.000 -1.747) 2.527 9.437 ( -1.826 -0.000 1.747) 2.527 9.815 ( -7.501 -0.000 -6.947) 10.224 9.815 ( -7.501 -0.000 6.947) 10.224 ======================= Grid point 380 (107/147) ======================= q-point: ( 0.15 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( 17.416 0.061 -5.306) 18.206 1.855 ( 17.416 0.061 5.306) 18.206 2.121 ( 18.450 -1.009 -6.840) 19.702 2.121 ( 18.450 -1.009 6.840) 19.702 2.593 ( 2.793 0.478 -1.716) 3.313 2.593 ( 2.793 0.478 1.716) 3.313 2.900 ( 9.958 0.923 -3.212) 10.504 2.900 ( 9.958 0.923 3.212) 10.504 3.073 ( 8.935 -0.854 -7.352) 11.602 3.073 ( 8.935 -0.854 7.352) 11.602 3.426 ( 6.850 1.341 -8.320) 10.861 3.426 ( 6.850 1.341 8.320) 10.861 3.501 ( 1.529 -0.088 -1.647) 2.249 3.501 ( 1.529 -0.088 1.647) 2.249 3.671 ( 4.375 0.250 -1.904) 4.778 3.671 ( 4.375 0.250 1.904) 4.778 3.726 ( 5.152 -0.188 -4.742) 7.004 3.726 ( 5.152 -0.188 4.742) 7.004 3.913 ( 14.749 -0.504 -3.729) 15.222 3.913 ( 14.749 -0.504 3.729) 15.222 4.216 ( 3.407 0.576 -2.719) 4.397 4.216 ( 3.407 0.576 2.719) 4.397 4.599 ( -12.689 -0.741 -5.566) 13.876 4.599 ( -12.689 -0.741 5.566) 13.876 4.797 ( 4.459 -0.252 -0.945) 4.565 4.797 ( 4.459 -0.252 0.945) 4.565 6.685 ( -1.334 -0.809 -1.166) 1.948 6.685 ( -1.334 -0.809 1.166) 1.948 6.870 ( 4.222 0.284 -0.969) 4.341 6.870 ( 4.222 0.284 0.969) 4.341 7.309 ( 11.058 -0.189 -2.149) 11.267 7.309 ( 11.058 -0.189 2.149) 11.267 7.405 ( -7.352 0.576 -2.602) 7.820 7.405 ( -7.352 0.576 2.602) 7.820 7.594 ( 7.670 0.709 -4.900) 9.129 7.594 ( 7.670 0.709 4.900) 9.129 7.615 ( -3.103 -0.526 -2.133) 3.802 7.615 ( -3.103 -0.526 2.133) 3.802 7.805 ( -3.909 -0.183 -5.118) 6.443 7.805 ( -3.909 -0.183 5.118) 6.443 8.463 ( 5.511 0.002 -2.138) 5.911 8.463 ( 5.511 0.002 2.138) 5.911 9.204 ( -4.734 0.674 -9.211) 10.378 9.204 ( -4.734 0.674 9.211) 10.378 9.386 ( -2.837 3.849 -3.800) 6.107 9.386 ( -2.837 3.849 3.800) 6.107 9.718 ( -2.911 -2.314 -4.167) 5.585 9.718 ( -2.911 -2.314 4.167) 5.585 ======================= Grid point 382 (108/147) ======================= q-point: ( 0.23 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( 13.488 0.266 -6.209) 14.851 2.155 ( 13.488 0.266 6.209) 14.851 2.411 ( 8.383 -0.462 -2.338) 8.715 2.411 ( 8.383 -0.462 2.338) 8.715 2.703 ( 9.676 -0.351 -0.479) 9.694 2.703 ( 9.676 -0.351 0.479) 9.694 3.036 ( 5.544 2.208 -0.793) 6.020 3.036 ( 5.544 2.208 0.793) 6.020 3.194 ( 2.978 1.299 -5.476) 6.367 3.194 ( 2.978 1.299 5.476) 6.367 3.441 ( -0.487 2.519 -8.964) 9.324 3.441 ( -0.487 2.519 8.964) 9.324 3.498 ( -1.467 -1.688 -6.379) 6.759 3.498 ( -1.467 -1.688 6.379) 6.759 3.701 ( 0.564 2.037 -2.256) 3.091 3.701 ( 0.564 2.037 2.256) 3.091 3.845 ( 5.490 3.364 -3.337) 7.252 3.845 ( 5.490 3.364 3.337) 7.252 4.090 ( 0.404 2.582 -1.149) 2.855 4.090 ( 0.404 2.582 1.149) 2.855 4.377 ( -6.015 -8.202 -4.745) 11.223 4.377 ( -6.015 -8.202 4.745) 11.223 4.530 ( 19.798 -3.551 -3.492) 20.415 4.530 ( 19.798 -3.551 3.492) 20.415 4.885 ( 4.712 0.737 -4.645) 6.658 4.885 ( 4.712 0.737 4.645) 6.658 6.685 ( 0.857 -0.870 -1.791) 2.168 6.685 ( 0.857 -0.870 1.791) 2.168 6.946 ( 3.695 0.422 -1.942) 4.196 6.946 ( 3.695 0.422 1.942) 4.196 7.282 ( -3.299 1.761 -3.619) 5.204 7.282 ( -3.299 1.761 3.619) 5.204 7.419 ( -1.337 -0.000 -1.509) 2.016 7.419 ( -1.337 -0.000 1.509) 2.016 7.559 ( 0.334 -0.678 -0.955) 1.218 7.559 ( 0.334 -0.678 0.955) 1.218 7.723 ( 1.610 -0.227 -1.571) 2.261 7.723 ( 1.610 -0.227 1.571) 2.261 7.802 ( 5.329 -0.066 -1.905) 5.659 7.802 ( 5.329 -0.066 1.905) 5.659 8.517 ( -0.118 -0.045 -2.707) 2.710 8.517 ( -0.118 -0.045 2.707) 2.710 9.094 ( -5.595 2.371 -9.583) 11.347 9.094 ( -5.595 2.371 9.583) 11.347 9.283 ( -4.660 4.445 -7.774) 10.095 9.283 ( -4.660 4.445 7.774) 10.095 9.705 ( -0.577 -2.497 -2.289) 3.436 9.705 ( -0.577 -2.497 2.289) 3.436 ======================= Grid point 384 (109/147) ======================= q-point: ( 0.31 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( 9.436 0.313 -3.040) 9.918 2.382 ( 9.436 0.313 3.040) 9.918 2.492 ( 1.368 -0.894 -1.943) 2.538 2.492 ( 1.368 -0.894 1.943) 2.538 2.911 ( 8.975 1.207 -0.373) 9.063 2.911 ( 8.975 1.207 0.373) 9.063 3.102 ( 2.720 1.996 -0.630) 3.432 3.102 ( 2.720 1.996 0.630) 3.432 3.194 ( -1.106 2.937 -3.064) 4.386 3.194 ( -1.106 2.937 3.064) 4.386 3.417 ( -0.391 1.373 -9.890) 9.992 3.417 ( -0.391 1.373 9.890) 9.992 3.477 ( -1.310 -0.877 -10.518) 10.635 3.477 ( -1.310 -0.877 10.518) 10.635 3.651 ( -3.712 6.094 -3.356) 7.885 3.651 ( -3.712 6.094 3.356) 7.885 3.903 ( 3.939 3.508 -2.749) 5.948 3.903 ( 3.939 3.508 2.749) 5.948 4.053 ( -1.737 -0.979 -0.433) 2.040 4.053 ( -1.737 -0.979 0.433) 2.040 4.366 ( -2.037 -15.002 -4.045) 15.671 4.366 ( -2.037 -15.002 4.045) 15.671 4.828 ( 6.430 7.100 -5.544) 11.068 4.828 ( 6.430 7.100 5.544) 11.068 5.060 ( 13.209 -5.817 -7.354) 16.199 5.060 ( 13.209 -5.817 7.354) 16.199 6.725 ( 2.710 -0.010 -2.341) 3.581 6.725 ( 2.710 -0.010 2.341) 3.581 7.010 ( 2.979 0.196 -3.201) 4.377 7.010 ( 2.979 0.196 3.201) 4.377 7.252 ( 0.599 2.882 -4.147) 5.086 7.252 ( 0.599 2.882 4.147) 5.086 7.360 ( -2.534 -1.774 -1.298) 3.355 7.360 ( -2.534 -1.774 1.298) 3.355 7.561 ( -0.882 0.343 -2.504) 2.677 7.561 ( -0.882 0.343 2.504) 2.677 7.742 ( 0.410 -0.521 -3.780) 3.838 7.742 ( 0.410 -0.521 3.780) 3.838 7.934 ( 7.011 -0.121 -3.297) 7.749 7.934 ( 7.011 -0.121 3.297) 7.749 8.460 ( -5.451 0.326 -3.092) 6.276 8.460 ( -5.451 0.326 3.092) 6.276 8.961 ( -5.746 3.827 -9.114) 11.434 8.961 ( -5.746 3.827 9.114) 11.434 9.172 ( -4.383 1.744 -9.423) 10.538 9.172 ( -4.383 1.744 9.423) 10.538 9.709 ( -0.275 -1.297 -1.200) 1.788 9.709 ( -0.275 -1.297 1.200) 1.788 ======================= Grid point 386 (110/147) ======================= q-point: ( 0.38 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.494 ( 1.049 0.355 -1.324) 1.726 2.494 ( 1.049 0.355 1.324) 1.726 2.528 ( 2.985 -0.601 -1.878) 3.578 2.528 ( 2.985 -0.601 1.878) 3.578 2.983 ( -0.438 2.971 -0.531) 3.049 2.983 ( -0.438 2.971 0.531) 3.049 3.125 ( -0.400 1.266 -2.442) 2.780 3.125 ( -0.400 1.266 2.442) 2.780 3.159 ( 0.416 0.935 -2.212) 2.438 3.159 ( 0.416 0.935 2.212) 2.438 3.417 ( 0.693 -0.102 -7.813) 7.844 3.417 ( 0.693 -0.102 7.813) 7.844 3.460 ( -0.911 -0.756 -6.606) 6.711 3.460 ( -0.911 -0.756 6.606) 6.711 3.538 ( -4.028 2.286 -3.231) 5.647 3.538 ( -4.028 2.286 3.231) 5.647 3.959 ( 2.262 3.101 -1.661) 4.182 3.959 ( 2.262 3.101 1.661) 4.182 4.040 ( 0.327 -0.998 -0.206) 1.070 4.040 ( 0.327 -0.998 0.206) 1.070 4.436 ( 0.096 -15.272 -4.889) 16.036 4.436 ( 0.096 -15.272 4.889) 16.036 4.834 ( 1.485 11.039 -7.501) 13.428 4.834 ( 1.485 11.039 7.501) 13.428 5.307 ( 7.083 -3.478 -7.434) 10.841 5.307 ( 7.083 -3.478 7.434) 10.841 6.772 ( 1.709 0.846 -1.854) 2.660 6.772 ( 1.709 0.846 1.854) 2.660 7.065 ( 2.490 -1.039 -2.861) 3.933 7.065 ( 2.490 -1.039 2.861) 3.933 7.207 ( -3.637 0.961 -1.596) 4.087 7.207 ( -3.637 0.961 1.596) 4.087 7.387 ( 2.521 0.117 -1.371) 2.872 7.387 ( 2.521 0.117 1.371) 2.872 7.549 ( 0.698 -0.783 -1.885) 2.158 7.549 ( 0.698 -0.783 1.885) 2.158 7.728 ( -1.714 0.215 -5.868) 6.117 7.728 ( -1.714 0.215 5.868) 6.117 8.069 ( 5.986 -0.138 -2.843) 6.628 8.069 ( 5.986 -0.138 2.843) 6.628 8.320 ( -7.139 0.655 -2.920) 7.741 8.320 ( -7.139 0.655 2.920) 7.741 8.847 ( -3.689 1.752 -9.018) 9.900 8.847 ( -3.689 1.752 9.018) 9.900 9.101 ( -1.925 0.426 -9.624) 9.824 9.101 ( -1.925 0.426 9.624) 9.824 9.711 ( 0.042 -0.396 -0.392) 0.559 9.711 ( 0.042 -0.396 0.392) 0.559 ======================= Grid point 388 (111/147) ======================= q-point: (-0.54 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.483 ( -2.243 -0.438 -0.937) 2.470 2.483 ( -2.243 -0.438 0.937) 2.470 2.550 ( -0.734 1.160 -2.534) 2.882 2.550 ( -0.734 1.160 2.534) 2.882 2.919 ( -4.058 -1.836 -1.066) 4.580 2.919 ( -4.058 -1.836 1.066) 4.580 3.108 ( -0.908 -0.511 -1.586) 1.898 3.108 ( -0.908 -0.511 1.586) 1.898 3.147 ( -2.116 0.141 -2.599) 3.354 3.147 ( -2.116 0.141 2.599) 3.354 3.408 ( -2.905 -1.313 -10.834) 11.294 3.408 ( -2.905 -1.313 10.834) 11.294 3.465 ( 1.126 -0.290 -8.481) 8.561 3.465 ( 1.126 -0.290 8.481) 8.561 3.489 ( -0.068 -1.305 -1.856) 2.270 3.489 ( -0.068 -1.305 1.856) 2.270 3.935 ( -2.742 0.568 -0.412) 2.830 3.935 ( -2.742 0.568 0.412) 2.830 4.080 ( 3.287 2.539 -0.231) 4.160 4.080 ( 3.287 2.539 0.231) 4.160 4.536 ( 1.321 -12.271 -6.603) 13.998 4.536 ( 1.321 -12.271 6.603) 13.998 4.789 ( 1.257 12.447 -7.113) 14.391 4.789 ( 1.257 12.447 7.113) 14.391 5.358 ( -2.737 0.962 -7.677) 8.207 5.358 ( -2.737 0.962 7.677) 8.207 6.769 ( -1.428 0.701 -0.960) 1.857 6.769 ( -1.428 0.701 0.960) 1.857 7.078 ( -3.287 0.080 -0.930) 3.417 7.078 ( -3.287 0.080 0.930) 3.417 7.167 ( 0.903 -2.544 -2.221) 3.495 7.167 ( 0.903 -2.544 2.221) 3.495 7.384 ( -1.906 0.036 -1.348) 2.334 7.384 ( -1.906 0.036 1.348) 2.334 7.576 ( 0.144 1.345 -2.266) 2.639 7.576 ( 0.144 1.345 2.266) 2.639 7.721 ( 1.920 -0.428 -5.334) 5.685 7.721 ( 1.920 -0.428 5.334) 5.685 8.073 ( -6.050 0.155 -2.763) 6.653 8.073 ( -6.050 0.155 2.763) 6.653 8.300 ( 5.949 -0.933 -2.014) 6.349 8.300 ( 5.949 -0.933 2.014) 6.349 8.799 ( -1.281 -2.036 -9.597) 9.894 8.799 ( -1.281 -2.036 9.597) 9.894 9.098 ( 1.728 0.189 -10.038) 10.187 9.098 ( 1.728 0.189 10.038) 10.187 9.718 ( 0.676 0.170 -0.667) 0.965 9.718 ( 0.676 0.170 0.667) 0.965 ======================= Grid point 390 (112/147) ======================= q-point: (-0.46 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( -9.288 -0.420 -2.752) 9.696 2.373 ( -9.288 -0.420 2.752) 9.696 2.516 ( -2.065 0.928 -3.865) 4.479 2.516 ( -2.065 0.928 3.865) 4.479 2.851 ( -5.878 -3.896 -1.402) 7.190 2.851 ( -5.878 -3.896 1.402) 7.190 3.049 ( -5.040 -1.305 -2.528) 5.787 3.049 ( -5.040 -1.305 2.528) 5.787 3.129 ( -0.028 -2.554 -1.566) 2.996 3.129 ( -0.028 -2.554 1.566) 2.996 3.359 ( -2.763 -3.783 -10.831) 11.800 3.359 ( -2.763 -3.783 10.831) 11.800 3.476 ( 0.492 -1.861 -3.943) 4.388 3.476 ( 0.492 -1.861 3.943) 4.388 3.542 ( 3.218 -0.943 -6.963) 7.729 3.542 ( 3.218 -0.943 6.963) 7.729 3.867 ( -3.807 -0.016 -1.446) 4.072 3.867 ( -3.807 -0.016 1.446) 4.072 4.120 ( 2.251 3.864 -0.987) 4.580 4.120 ( 2.251 3.864 0.987) 4.580 4.587 ( -1.675 -3.201 -7.763) 8.562 4.587 ( -1.675 -3.201 7.763) 8.562 4.760 ( 1.949 7.536 -4.621) 9.052 4.760 ( 1.949 7.536 4.621) 9.052 5.181 ( -13.577 4.620 -6.686) 15.823 5.181 ( -13.577 4.620 6.686) 15.823 6.730 ( -1.505 0.495 -2.038) 2.582 6.730 ( -1.505 0.495 2.038) 2.582 6.997 ( -4.272 -0.929 -2.687) 5.132 6.997 ( -4.272 -0.929 2.687) 5.132 7.199 ( 0.334 -1.722 -5.033) 5.330 7.199 ( 0.334 -1.722 5.033) 5.330 7.368 ( 0.867 -0.972 -1.892) 2.297 7.368 ( 0.867 -0.972 1.892) 2.297 7.564 ( 0.121 0.848 -2.949) 3.071 7.564 ( 0.121 0.848 2.949) 3.071 7.752 ( -0.066 0.037 -3.186) 3.187 7.752 ( -0.066 0.037 3.186) 3.187 7.942 ( -6.178 0.645 -3.915) 7.342 7.942 ( -6.178 0.645 3.915) 7.342 8.443 ( 6.275 -1.201 -2.822) 6.985 8.443 ( 6.275 -1.201 2.822) 6.985 8.824 ( 1.396 -6.747 -9.626) 11.838 8.824 ( 1.396 -6.747 9.626) 11.838 9.151 ( 3.090 -0.109 -10.380) 10.831 9.151 ( 3.090 -0.109 10.380) 10.831 9.737 ( 1.528 0.867 -1.584) 2.366 9.737 ( 1.528 0.867 1.584) 2.366 ======================= Grid point 392 (113/147) ======================= q-point: (-0.38 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( -13.293 -0.277 -4.171) 13.935 2.147 ( -13.293 -0.277 4.171) 13.935 2.422 ( -8.227 0.249 -3.445) 8.922 2.422 ( -8.227 0.249 3.445) 8.922 2.708 ( -8.597 -0.410 -1.399) 8.720 2.708 ( -8.597 -0.410 1.399) 8.720 2.962 ( -5.441 -2.960 -1.697) 6.422 2.962 ( -5.441 -2.960 1.697) 6.422 3.140 ( -1.331 -3.472 -6.102) 7.146 3.140 ( -1.331 -3.472 6.102) 7.146 3.360 ( -0.010 -4.780 -10.876) 11.881 3.360 ( -0.010 -4.780 10.876) 11.881 3.510 ( 0.956 -2.398 -3.330) 4.214 3.510 ( 0.956 -2.398 3.330) 4.214 3.607 ( 2.088 -2.134 -5.738) 6.468 3.607 ( 2.088 -2.134 5.738) 6.468 3.791 ( -3.707 -0.431 -3.740) 5.284 3.791 ( -3.707 -0.431 3.740) 5.284 4.109 ( -1.748 3.102 -1.010) 3.701 4.109 ( -1.748 3.102 1.010) 3.701 4.511 ( -7.032 3.129 -2.049) 7.965 4.511 ( -7.032 3.129 2.049) 7.965 4.704 ( -7.908 8.950 -3.341) 12.401 4.704 ( -7.908 8.950 3.341) 12.401 4.867 ( -8.401 0.200 -6.004) 10.328 4.867 ( -8.401 0.200 6.004) 10.328 6.717 ( 0.703 1.689 -2.079) 2.770 6.717 ( 0.703 1.689 2.079) 2.770 6.924 ( -3.887 -1.399 -2.788) 4.984 6.924 ( -3.887 -1.399 2.788) 4.984 7.233 ( 2.899 -1.822 -5.160) 6.192 7.233 ( 2.899 -1.822 5.160) 6.192 7.410 ( 1.537 -1.247 -1.632) 2.566 7.410 ( 1.537 -1.247 1.632) 2.566 7.565 ( -0.309 0.215 -2.224) 2.256 7.565 ( -0.309 0.215 2.224) 2.256 7.733 ( -1.067 -0.194 -1.338) 1.722 7.733 ( -1.067 -0.194 1.338) 1.722 7.815 ( -5.895 1.660 -2.930) 6.789 7.815 ( -5.895 1.660 2.930) 6.789 8.518 ( 0.454 0.002 -2.653) 2.691 8.518 ( 0.454 0.002 2.653) 2.691 8.935 ( 4.460 -10.617 -8.194) 14.133 8.935 ( 4.460 -10.617 8.194) 14.133 9.210 ( 2.714 -0.873 -10.045) 10.442 9.210 ( 2.714 -0.873 10.045) 10.442 9.766 ( 2.210 2.027 -2.795) 4.099 9.766 ( 2.210 2.027 2.795) 4.099 ======================= Grid point 394 (114/147) ======================= q-point: (-0.31 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( -15.923 0.700 -2.453) 16.126 1.859 ( -15.923 0.700 2.453) 16.126 2.174 ( -15.100 2.970 -6.332) 16.641 2.174 ( -15.100 2.970 6.332) 16.641 2.563 ( -7.061 -1.884 -1.725) 7.508 2.563 ( -7.061 -1.884 1.725) 7.508 2.863 ( -5.900 -1.728 -1.348) 6.294 2.863 ( -5.900 -1.728 1.348) 6.294 3.093 ( -5.277 -0.357 -8.232) 9.784 3.093 ( -5.277 -0.357 8.232) 9.784 3.367 ( -3.756 -3.171 -9.854) 11.012 3.367 ( -3.756 -3.171 9.854) 11.012 3.490 ( -5.015 -1.414 -0.772) 5.267 3.490 ( -5.015 -1.414 0.772) 5.267 3.613 ( -4.556 -3.824 -0.989) 6.030 3.613 ( -4.556 -3.824 0.989) 6.030 3.748 ( 0.106 0.996 -2.943) 3.109 3.748 ( 0.106 0.996 2.943) 3.109 3.972 ( -12.204 4.733 -2.332) 13.296 3.972 ( -12.204 4.733 2.332) 13.296 4.208 ( -11.366 1.258 -3.090) 11.846 4.208 ( -11.366 1.258 3.090) 11.846 4.619 ( 2.906 -0.028 -5.070) 5.844 4.619 ( 2.906 -0.028 5.070) 5.844 4.823 ( 0.337 2.123 -2.473) 3.277 4.823 ( 0.337 2.123 2.473) 3.277 6.726 ( 0.961 2.050 -1.274) 2.598 6.726 ( 0.961 2.050 1.274) 2.598 6.853 ( -4.194 -1.062 -1.540) 4.593 6.853 ( -4.194 -1.062 1.540) 4.593 7.299 ( -2.989 -1.720 -3.834) 5.157 7.299 ( -2.989 -1.720 3.834) 5.157 7.401 ( 0.424 1.132 -2.785) 3.036 7.401 ( 0.424 1.132 2.785) 3.036 7.557 ( -1.733 -1.935 -2.949) 3.930 7.557 ( -1.733 -1.935 2.949) 3.930 7.636 ( -4.777 0.847 -2.035) 5.261 7.636 ( -4.777 0.847 2.035) 5.261 7.814 ( 5.223 0.482 -3.736) 6.440 7.814 ( 5.223 0.482 3.736) 6.440 8.463 ( -5.625 0.062 -1.717) 5.882 8.463 ( -5.625 0.062 1.717) 5.882 9.098 ( 5.374 -9.985 -6.902) 13.275 9.098 ( 5.374 -9.985 6.902) 13.275 9.274 ( 3.193 -1.889 -8.902) 9.644 9.274 ( 3.193 -1.889 8.902) 9.644 9.802 ( 3.181 3.305 -4.460) 6.398 9.802 ( 3.181 3.305 4.460) 6.398 ======================= Grid point 396 (115/147) ======================= q-point: (-0.23 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( -18.161 4.172 -5.053) 19.307 1.507 ( -18.161 4.172 5.053) 19.307 1.842 ( -15.387 6.300 -13.959) 21.710 1.842 ( -15.387 6.300 13.959) 21.710 2.410 ( -11.954 -4.317 -2.779) 13.010 2.410 ( -11.954 -4.317 2.779) 13.010 2.721 ( -9.977 5.078 -8.099) 13.818 2.721 ( -9.977 5.078 8.099) 13.818 2.942 ( -7.220 2.325 -5.344) 9.278 2.942 ( -7.220 2.325 5.344) 9.278 3.094 ( -19.823 0.301 -4.013) 20.227 3.094 ( -19.823 0.301 4.013) 20.227 3.378 ( -8.280 -1.184 -4.262) 9.387 3.378 ( -8.280 -1.184 4.262) 9.387 3.533 ( -2.266 -5.785 -6.855) 9.252 3.533 ( -2.266 -5.785 6.855) 9.252 3.766 ( 1.244 2.804 -2.692) 4.081 3.766 ( 1.244 2.804 2.692) 4.081 3.781 ( -2.032 0.786 -1.833) 2.847 3.781 ( -2.032 0.786 1.833) 2.847 4.140 ( -0.599 -4.907 -1.955) 5.316 4.140 ( -0.599 -4.907 1.955) 5.316 4.696 ( 1.226 -3.664 -4.659) 6.052 4.696 ( 1.226 -3.664 4.659) 6.052 4.858 ( 5.886 3.068 -4.611) 8.082 4.858 ( 5.886 3.068 4.611) 8.082 6.702 ( -6.679 -1.280 -1.332) 6.929 6.702 ( -6.679 -1.280 1.332) 6.929 6.765 ( -4.160 -0.728 -1.078) 4.358 6.765 ( -4.160 -0.728 1.078) 4.358 7.060 ( -13.980 3.841 -5.053) 15.353 7.060 ( -13.980 3.841 5.053) 15.353 7.391 ( -7.380 0.143 -5.209) 9.034 7.391 ( -7.380 0.143 5.209) 9.034 7.538 ( 4.959 -1.920 -2.048) 5.698 7.538 ( 4.959 -1.920 2.048) 5.698 7.678 ( 4.434 -1.991 -2.924) 5.672 7.678 ( 4.434 -1.991 2.924) 5.672 7.935 ( 6.781 1.612 -4.235) 8.155 7.935 ( 6.781 1.612 4.235) 8.155 8.318 ( -8.395 0.240 -1.845) 8.598 8.318 ( -8.395 0.240 1.845) 8.598 9.237 ( 3.619 -5.903 -5.347) 8.748 9.237 ( 3.619 -5.903 5.347) 8.748 9.367 ( 4.873 -2.887 -4.514) 7.243 9.367 ( 4.873 -2.887 4.514) 7.243 9.864 ( 5.382 3.109 -6.734) 9.164 9.864 ( 5.382 3.109 6.734) 9.164 ======================= Grid point 398 (116/147) ======================= q-point: (-0.15 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( -13.811 10.086 -13.692) 21.908 1.133 ( -13.811 10.086 13.692) 21.908 1.459 ( -19.880 10.300 -17.312) 28.302 1.459 ( -19.880 10.300 17.312) 28.302 2.102 ( -15.731 2.534 -23.915) 28.737 2.102 ( -15.731 2.534 23.915) 28.737 2.465 ( -9.265 2.627 -8.609) 12.917 2.465 ( -9.265 2.627 8.609) 12.917 2.769 ( -7.375 3.013 -6.307) 10.161 2.769 ( -7.375 3.013 6.307) 10.161 2.928 ( -0.368 -2.926 -2.399) 3.802 2.928 ( -0.368 -2.926 2.399) 3.802 3.213 ( -7.241 -1.385 -1.720) 7.570 3.213 ( -7.241 -1.385 1.720) 7.570 3.575 ( 1.201 -7.413 -5.272) 9.175 3.575 ( 1.201 -7.413 5.272) 9.175 3.750 ( -0.708 -0.708 -1.015) 1.426 3.750 ( -0.708 -0.708 1.015) 1.426 3.802 ( 2.004 1.471 -1.624) 2.970 3.802 ( 2.004 1.471 1.624) 2.970 4.190 ( 2.257 -5.126 -1.019) 5.693 4.190 ( 2.257 -5.126 1.019) 5.693 4.703 ( -0.213 1.307 -1.758) 2.201 4.703 ( -0.213 1.307 1.758) 2.201 4.985 ( 5.794 -1.184 -5.224) 7.891 4.985 ( 5.794 -1.184 5.224) 7.891 6.336 ( -26.286 -1.494 -5.388) 26.874 6.336 ( -26.286 -1.494 5.388) 26.874 6.731 ( -1.758 -2.509 -0.287) 3.077 6.731 ( -1.758 -2.509 0.287) 3.077 6.901 ( -0.557 3.729 -2.024) 4.279 6.901 ( -0.557 3.729 2.024) 4.279 7.228 ( -6.556 5.024 -4.690) 9.498 7.228 ( -6.556 5.024 4.690) 9.498 7.652 ( 4.011 -3.006 -2.877) 5.779 7.652 ( 4.011 -3.006 2.877) 5.779 7.778 ( 3.894 -2.895 -3.838) 6.186 7.778 ( 3.894 -2.895 3.838) 6.186 8.038 ( 3.982 1.727 -3.331) 5.472 8.038 ( 3.982 1.727 3.331) 5.472 8.156 ( -6.744 1.204 -2.739) 7.378 8.156 ( -6.744 1.204 2.739) 7.378 9.311 ( 1.606 -3.307 -5.496) 6.612 9.311 ( 1.606 -3.307 5.496) 6.612 9.476 ( 4.127 -0.818 -3.290) 5.341 9.476 ( 4.127 -0.818 3.290) 5.341 9.983 ( 7.003 -0.229 -7.867) 10.535 9.983 ( 7.003 -0.229 7.867) 10.535 ======================= Grid point 400 (117/147) ======================= q-point: (-0.08 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( -0.000 13.629 -18.987) 23.372 0.923 ( -0.000 13.629 18.987) 23.372 1.102 ( -0.000 10.769 -23.607) 25.948 1.102 ( -0.000 10.769 23.607) 25.948 1.928 ( -0.000 2.938 -39.064) 39.174 1.928 ( -0.000 2.938 39.064) 39.174 2.362 ( -0.000 0.090 -8.220) 8.220 2.362 ( -0.000 0.090 8.220) 8.220 2.688 ( -0.000 1.573 -7.076) 7.249 2.688 ( -0.000 1.573 7.076) 7.249 2.948 ( 0.000 -1.835 -1.216) 2.202 2.948 ( 0.000 -1.835 1.216) 2.202 3.149 ( 0.000 -1.578 -2.356) 2.836 3.149 ( 0.000 -1.578 2.356) 2.836 3.632 ( 0.000 -6.535 -2.743) 7.088 3.632 ( 0.000 -6.535 2.743) 7.088 3.747 ( 0.000 -1.018 -0.472) 1.122 3.747 ( 0.000 -1.018 0.472) 1.122 3.823 ( -0.000 0.667 -3.831) 3.888 3.823 ( -0.000 0.667 3.831) 3.888 4.252 ( 0.000 -4.094 -1.032) 4.222 4.252 ( 0.000 -4.094 1.032) 4.222 4.688 ( -0.000 3.092 -2.943) 4.269 4.688 ( -0.000 3.092 2.943) 4.269 5.057 ( 0.000 -1.566 -7.032) 7.204 5.057 ( 0.000 -1.566 7.032) 7.204 5.995 ( -0.000 1.165 -0.514) 1.273 5.995 ( -0.000 1.165 0.514) 1.273 6.726 ( 0.000 -2.472 -0.174) 2.478 6.726 ( 0.000 -2.472 0.174) 2.478 6.903 ( -0.000 0.701 -1.766) 1.900 6.903 ( -0.000 0.701 1.766) 1.900 7.113 ( -0.000 6.610 -3.409) 7.438 7.113 ( -0.000 6.610 3.409) 7.438 7.709 ( 0.000 -1.908 -2.474) 3.125 7.709 ( 0.000 -1.908 2.474) 3.125 7.845 ( 0.000 -3.190 -6.133) 6.913 7.845 ( 0.000 -3.190 6.133) 6.913 8.045 ( -0.000 0.393 -1.154) 1.219 8.045 ( -0.000 0.393 1.154) 1.219 8.092 ( -0.000 2.326 -3.803) 4.458 8.092 ( -0.000 2.326 3.803) 4.458 9.344 ( 0.000 -2.373 -6.785) 7.188 9.344 ( 0.000 -2.373 6.785) 7.188 9.516 ( -0.000 0.963 -6.464) 6.535 9.516 ( -0.000 0.963 6.464) 6.535 10.081 ( 0.000 -2.499 -5.476) 6.019 10.081 ( 0.000 -2.499 5.476) 6.019 ======================= Grid point 406 (118/147) ======================= q-point: ( 0.15 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( 13.481 0.000 -6.541) 14.985 2.157 ( 13.481 0.000 6.541) 14.985 2.408 ( 8.392 0.000 -2.092) 8.649 2.408 ( 8.392 0.000 2.092) 8.649 2.701 ( 9.878 0.000 -0.425) 9.887 2.701 ( 9.878 0.000 0.425) 9.887 3.049 ( 5.303 0.000 -0.171) 5.306 3.049 ( 5.303 0.000 0.171) 5.306 3.201 ( 3.586 0.000 -5.300) 6.399 3.201 ( 3.586 0.000 5.300) 6.399 3.461 ( -0.709 -0.000 -5.740) 5.783 3.461 ( -0.709 -0.000 5.740) 5.783 3.483 ( -1.458 -0.000 -2.324) 2.744 3.483 ( -1.458 -0.000 2.324) 2.744 3.711 ( 1.295 0.000 -0.891) 1.571 3.711 ( 1.295 0.000 0.891) 1.571 3.866 ( 6.319 0.000 -2.509) 6.799 3.866 ( 6.319 0.000 2.509) 6.799 4.117 ( 2.497 0.000 -1.201) 2.771 4.117 ( 2.497 0.000 1.201) 2.771 4.315 ( -11.831 -0.000 -2.010) 12.001 4.315 ( -11.831 -0.000 2.010) 12.001 4.510 ( 21.970 0.000 -2.891) 22.160 4.510 ( 21.970 0.000 2.891) 22.160 4.890 ( 4.394 0.000 -4.399) 6.218 4.890 ( 4.394 0.000 4.399) 6.218 6.680 ( 1.146 0.000 -1.707) 2.056 6.680 ( 1.146 0.000 1.707) 2.056 6.948 ( 3.630 0.000 -1.691) 4.004 6.948 ( 3.630 0.000 1.691) 4.004 7.293 ( -3.117 -0.000 -2.906) 4.262 7.293 ( -3.117 -0.000 2.906) 4.262 7.419 ( -1.771 -0.000 -1.983) 2.659 7.419 ( -1.771 -0.000 1.983) 2.659 7.554 ( 0.692 0.000 -0.119) 0.703 7.554 ( 0.692 0.000 0.119) 0.703 7.722 ( 1.608 0.000 -1.517) 2.211 7.722 ( 1.608 0.000 1.517) 2.211 7.801 ( 5.221 0.000 -0.607) 5.256 7.801 ( 5.221 0.000 0.607) 5.256 8.517 ( -0.094 -0.000 -2.719) 2.720 8.517 ( -0.094 -0.000 2.719) 2.720 9.107 ( -5.402 -0.000 -10.168) 11.514 9.107 ( -5.402 -0.000 10.168) 11.514 9.312 ( -5.663 -0.000 -7.209) 9.167 9.312 ( -5.663 -0.000 7.209) 9.167 9.689 ( 0.025 0.000 -2.071) 2.071 9.689 ( 0.025 0.000 2.071) 2.071 ======================= Grid point 408 (119/147) ======================= q-point: ( 0.23 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.384 ( 9.419 0.116 -3.012) 9.890 2.384 ( 9.419 0.116 3.012) 9.890 2.484 ( 1.399 -0.342 -1.542) 2.110 2.484 ( 1.399 -0.342 1.542) 2.110 2.919 ( 9.595 0.349 -0.251) 9.605 2.919 ( 9.595 0.349 0.251) 9.605 3.117 ( 2.141 0.613 -1.048) 2.461 3.117 ( 2.141 0.613 1.048) 2.461 3.221 ( -0.802 1.360 -3.507) 3.846 3.221 ( -0.802 1.360 3.507) 3.846 3.428 ( -1.621 0.507 -8.614) 8.780 3.428 ( -1.621 0.507 8.614) 8.780 3.469 ( -0.669 -0.460 -11.807) 11.835 3.469 ( -0.669 -0.460 11.807) 11.835 3.702 ( -3.842 2.401 -1.484) 4.768 3.702 ( -3.842 2.401 1.484) 4.768 3.944 ( 3.522 2.313 -1.311) 4.413 3.944 ( 3.522 2.313 1.311) 4.413 4.077 ( -2.355 6.301 -1.611) 6.917 4.077 ( -2.355 6.301 1.611) 6.917 4.199 ( -2.671 -13.300 -2.446) 13.785 4.199 ( -2.671 -13.300 2.446) 13.785 4.909 ( 11.443 6.628 -5.296) 14.245 4.909 ( 11.443 6.628 5.296) 14.245 4.990 ( 10.140 -6.118 -7.971) 14.276 4.990 ( 10.140 -6.118 7.971) 14.276 6.725 ( 3.168 0.019 -2.335) 3.935 6.725 ( 3.168 0.019 2.335) 3.935 7.011 ( 2.614 0.018 -3.008) 3.985 7.011 ( 2.614 0.018 3.008) 3.985 7.285 ( 1.781 2.473 -3.208) 4.425 7.285 ( 1.781 2.473 3.208) 4.425 7.336 ( -4.090 -2.106 -1.811) 4.944 7.336 ( -4.090 -2.106 1.811) 4.944 7.564 ( -0.912 0.182 -1.357) 1.645 7.564 ( -0.912 0.182 1.357) 1.645 7.738 ( 0.543 -0.209 -3.851) 3.894 7.738 ( 0.543 -0.209 3.851) 3.894 7.933 ( 7.081 -0.023 -2.915) 7.658 7.933 ( 7.081 -0.023 2.915) 7.658 8.462 ( -5.263 0.092 -3.205) 6.162 8.462 ( -5.263 0.092 3.205) 6.162 8.989 ( -6.211 1.141 -9.971) 11.803 8.989 ( -6.211 1.141 9.971) 11.803 9.190 ( -5.584 0.993 -9.095) 10.718 9.190 ( -5.584 0.993 9.095) 10.718 9.697 ( 0.346 -0.583 -0.997) 1.206 9.697 ( 0.346 -0.583 0.997) 1.206 ======================= Grid point 410 (120/147) ======================= q-point: ( 0.31 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.496 ( 0.613 0.098 -1.340) 1.477 2.496 ( 0.613 0.098 1.340) 1.477 2.523 ( 3.838 -0.202 -1.016) 3.975 2.523 ( 3.838 -0.202 1.016) 3.975 3.010 ( -0.640 1.556 -0.890) 1.903 3.010 ( -0.640 1.556 0.890) 1.903 3.143 ( -0.158 1.606 -2.120) 2.664 3.143 ( -0.158 1.606 2.120) 2.664 3.168 ( -1.729 0.671 -1.778) 2.569 3.168 ( -1.729 0.671 1.778) 2.569 3.416 ( 0.723 -0.166 -7.783) 7.819 3.416 ( 0.723 -0.166 7.783) 7.819 3.451 ( -1.688 -0.722 -7.410) 7.634 3.451 ( -1.688 -0.722 7.410) 7.634 3.560 ( -6.559 1.358 -2.780) 7.252 3.560 ( -6.559 1.358 2.780) 7.252 4.010 ( 0.114 5.323 -2.106) 5.726 4.010 ( 0.114 5.323 2.106) 5.726 4.034 ( 3.531 0.416 -0.376) 3.575 4.034 ( 3.531 0.416 0.376) 3.575 4.268 ( 1.417 -13.499 -3.325) 13.975 4.268 ( 1.417 -13.499 3.325) 13.975 4.945 ( 1.612 7.698 -8.942) 11.909 4.945 ( 1.612 7.698 8.942) 11.909 5.264 ( 9.318 -3.607 -5.560) 11.434 5.264 ( 9.318 -3.607 5.560) 11.434 6.783 ( 2.169 0.830 -2.308) 3.275 6.783 ( 2.169 0.830 2.308) 3.275 7.053 ( 1.713 -0.976 -3.611) 4.114 7.053 ( 1.713 -0.976 3.611) 4.114 7.215 ( -5.019 0.499 -0.919) 5.127 7.215 ( -5.019 0.499 0.919) 5.127 7.387 ( 3.571 -0.018 -2.144) 4.165 7.387 ( 3.571 -0.018 2.144) 4.165 7.543 ( 0.433 -0.322 -1.127) 1.250 7.543 ( 0.433 -0.322 1.127) 1.250 7.730 ( -1.424 0.097 -6.236) 6.397 7.730 ( -1.424 0.097 6.236) 6.397 8.068 ( 5.912 -0.071 -2.747) 6.519 8.068 ( 5.912 -0.071 2.747) 6.519 8.326 ( -7.363 0.331 -3.244) 8.053 8.326 ( -7.363 0.331 3.244) 8.053 8.863 ( -5.359 0.933 -9.193) 10.682 8.863 ( -5.359 0.933 9.193) 10.682 9.106 ( -2.198 0.412 -9.504) 9.764 9.106 ( -2.198 0.412 9.504) 9.764 9.707 ( 0.391 -0.283 -0.204) 0.524 9.707 ( 0.391 -0.283 0.204) 0.524 ======================= Grid point 412 (121/147) ======================= q-point: (-0.62 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.479 ( -2.699 -0.250 -0.664) 2.790 2.479 ( -2.699 -0.250 0.664) 2.790 2.563 ( 0.203 0.919 -2.393) 2.572 2.563 ( 0.203 0.919 2.393) 2.572 2.905 ( -7.091 -0.660 -1.011) 7.193 2.905 ( -7.091 -0.660 1.011) 7.193 3.104 ( -1.596 -0.217 -1.657) 2.311 3.104 ( -1.596 -0.217 1.657) 2.311 3.151 ( -2.337 0.436 -2.489) 3.441 3.151 ( -2.337 0.436 2.489) 3.442 3.388 ( -4.649 -1.937 -10.629) 11.761 3.388 ( -4.649 -1.937 10.629) 11.761 3.462 ( 2.030 -0.207 -7.945) 8.203 3.462 ( 2.030 -0.207 7.945) 8.203 3.479 ( -0.866 -0.573 -1.355) 1.707 3.479 ( -0.866 -0.573 1.355) 1.707 3.947 ( -3.310 1.282 -0.810) 3.641 3.947 ( -3.310 1.282 0.810) 3.641 4.117 ( 4.758 3.894 -0.745) 6.193 4.117 ( 4.758 3.894 0.745) 6.193 4.397 ( 3.736 -11.492 -4.741) 12.981 4.397 ( 3.736 -11.492 4.741) 12.981 4.915 ( 0.365 8.919 -9.527) 13.055 4.915 ( 0.365 8.919 9.527) 13.055 5.364 ( -0.536 0.010 -6.557) 6.579 5.364 ( -0.536 0.010 6.557) 6.579 6.781 ( -1.640 1.152 -0.797) 2.157 6.781 ( -1.640 1.152 0.797) 2.157 7.077 ( -2.697 -0.213 -1.304) 3.003 7.077 ( -2.697 -0.213 1.304) 3.003 7.137 ( -0.399 -2.471 -1.953) 3.175 7.137 ( -0.399 -2.471 1.953) 3.175 7.386 ( -2.258 0.140 -2.021) 3.033 7.386 ( -2.258 0.140 2.021) 3.033 7.590 ( 1.215 1.058 -1.784) 2.404 7.590 ( 1.214 1.058 1.784) 2.404 7.716 ( 1.526 -0.399 -5.501) 5.722 7.716 ( 1.526 -0.399 5.501) 5.722 8.074 ( -5.994 0.097 -2.505) 6.497 8.074 ( -5.994 0.097 2.505) 6.497 8.291 ( 5.149 -0.701 -1.619) 5.443 8.291 ( 5.149 -0.701 1.619) 5.443 8.779 ( -3.236 -1.396 -10.027) 10.628 8.779 ( -3.236 -1.396 10.027) 10.628 9.101 ( 1.689 0.266 -10.184) 10.327 9.101 ( 1.689 0.266 10.184) 10.327 9.719 ( 0.896 0.050 -0.738) 1.162 9.719 ( 0.896 0.050 0.738) 1.162 ======================= Grid point 414 (122/147) ======================= q-point: (-0.54 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( -9.035 -0.307 -2.355) 9.342 2.368 ( -9.035 -0.307 2.355) 9.342 2.524 ( -3.288 0.454 -4.937) 5.949 2.524 ( -3.288 0.454 4.937) 5.949 2.806 ( -4.829 -3.625 -2.135) 6.405 2.806 ( -4.829 -3.625 2.135) 6.405 3.043 ( -5.402 0.118 -1.659) 5.652 3.043 ( -5.402 0.118 1.659) 5.652 3.102 ( -1.582 -2.130 -2.249) 3.478 3.102 ( -1.582 -2.130 2.249) 3.478 3.313 ( -3.957 -3.902 -9.987) 11.429 3.313 ( -3.957 -3.902 9.987) 11.429 3.454 ( -0.454 -1.603 -3.866) 4.210 3.454 ( -0.454 -1.603 3.866) 4.210 3.543 ( 4.019 0.565 -7.636) 8.648 3.543 ( 4.019 0.565 7.636) 8.648 3.872 ( -3.700 0.799 -0.969) 3.907 3.872 ( -3.700 0.799 0.969) 3.907 4.166 ( 2.365 4.171 -1.777) 5.113 4.166 ( 2.365 4.171 1.777) 5.113 4.519 ( 2.432 -7.003 -6.384) 9.784 4.519 ( 2.432 -7.003 6.384) 9.784 4.859 ( -0.885 8.038 -8.694) 11.873 4.859 ( -0.885 8.038 8.694) 11.873 5.229 ( -12.167 3.773 -6.023) 14.091 5.229 ( -12.167 3.773 6.023) 14.091 6.737 ( -1.223 0.754 -1.717) 2.239 6.737 ( -1.223 0.754 1.717) 2.239 6.986 ( -4.954 -0.936 -1.918) 5.394 6.986 ( -4.954 -0.936 1.918) 5.394 7.181 ( 1.498 -1.500 -4.871) 5.313 7.181 ( 1.498 -1.500 4.871) 5.313 7.354 ( -0.341 -1.293 -2.954) 3.242 7.354 ( -0.341 -1.293 2.954) 3.242 7.577 ( -0.238 1.309 -2.551) 2.878 7.577 ( -0.238 1.309 2.551) 2.878 7.749 ( -0.322 -0.502 -2.619) 2.686 7.749 ( -0.322 -0.502 2.619) 2.686 7.951 ( -5.275 0.793 -3.686) 6.484 7.951 ( -5.275 0.793 3.686) 6.484 8.427 ( 6.543 -1.580 -3.080) 7.403 8.427 ( 6.543 -1.580 3.080) 7.403 8.754 ( -1.136 -5.198 -10.642) 11.898 8.754 ( -1.136 -5.198 10.642) 11.898 9.152 ( 3.025 0.213 -10.635) 11.059 9.152 ( 3.025 0.213 10.635) 11.059 9.744 ( 1.827 0.451 -1.638) 2.495 9.744 ( 1.827 0.451 1.638) 2.495 ======================= Grid point 416 (123/147) ======================= q-point: (-0.46 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( -12.973 0.005 -2.953) 13.305 2.146 ( -12.973 0.005 2.953) 13.305 2.422 ( -7.729 -0.284 -3.368) 8.435 2.422 ( -7.729 -0.284 3.368) 8.435 2.697 ( -7.981 -1.501 -3.147) 8.710 2.697 ( -7.981 -1.501 3.147) 8.710 2.939 ( -5.317 -1.098 -2.204) 5.859 2.939 ( -5.317 -1.098 2.204) 5.859 3.093 ( -1.471 -4.422 -5.318) 7.072 3.093 ( -1.471 -4.422 5.318) 7.072 3.300 ( -0.139 -5.288 -11.030) 12.233 3.300 ( -0.139 -5.288 11.030) 12.233 3.473 ( 0.643 -3.039 -1.754) 3.567 3.473 ( 0.643 -3.039 1.754) 3.567 3.606 ( 2.260 1.016 -6.516) 6.971 3.606 ( 2.260 1.016 6.516) 6.971 3.792 ( -3.705 0.451 -2.768) 4.647 3.792 ( -3.705 0.451 2.768) 4.647 4.148 ( -2.355 3.457 -1.636) 4.491 4.148 ( -2.355 3.457 1.636) 4.491 4.536 ( -3.785 1.236 -2.223) 4.561 4.536 ( -3.785 1.236 2.223) 4.561 4.782 ( -7.757 3.943 -6.241) 10.708 4.782 ( -7.757 3.943 6.241) 10.708 4.893 ( -11.985 4.651 -4.984) 13.788 4.893 ( -11.985 4.651 4.984) 13.788 6.736 ( 1.335 1.593 -2.008) 2.890 6.736 ( 1.335 1.593 2.008) 2.890 6.907 ( -3.893 -1.626 -2.604) 4.957 6.907 ( -3.893 -1.626 2.604) 4.957 7.216 ( 2.171 -1.173 -5.091) 5.657 7.216 ( 2.171 -1.173 5.091) 5.657 7.389 ( 2.196 -2.154 -3.487) 4.650 7.389 ( 2.196 -2.154 3.487) 4.650 7.573 ( -0.341 1.154 -2.049) 2.376 7.573 ( -0.340 1.154 2.049) 2.376 7.723 ( -1.606 -1.480 -0.227) 2.195 7.723 ( -1.606 -1.480 0.227) 2.195 7.840 ( -5.420 2.452 -1.892) 6.242 7.840 ( -5.420 2.452 1.892) 6.242 8.518 ( 0.978 -0.173 -2.660) 2.839 8.518 ( 0.978 -0.173 2.660) 2.839 8.811 ( 2.977 -10.208 -10.085) 14.655 8.811 ( 2.977 -10.208 10.085) 14.655 9.207 ( 2.664 0.021 -10.475) 10.808 9.207 ( 2.664 0.021 10.475) 10.808 9.784 ( 2.626 1.178 -2.771) 3.995 9.784 ( 2.626 1.178 2.771) 3.995 ======================= Grid point 418 (124/147) ======================= q-point: (-0.38 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( -14.525 1.223 -1.742) 14.680 1.870 ( -14.525 1.223 1.742) 14.680 2.209 ( -12.547 3.229 -4.335) 13.662 2.209 ( -12.547 3.229 4.335) 13.662 2.540 ( -8.587 -1.988 -2.598) 9.189 2.540 ( -8.587 -1.988 2.598) 9.189 2.842 ( -5.307 -2.152 -1.251) 5.862 2.842 ( -5.307 -2.152 1.251) 5.862 3.078 ( -2.874 -2.168 -8.412) 9.150 3.078 ( -2.874 -2.168 8.412) 9.150 3.326 ( -1.937 -4.003 -10.067) 11.006 3.326 ( -1.937 -4.003 10.067) 11.006 3.465 ( -4.625 -2.726 -1.087) 5.478 3.465 ( -4.625 -2.726 1.087) 5.478 3.583 ( -5.346 -1.117 -1.771) 5.741 3.583 ( -5.346 -1.117 1.771) 5.741 3.756 ( 0.511 0.403 -1.842) 1.953 3.756 ( 0.511 0.403 1.842) 1.953 4.026 ( -8.218 4.143 -0.621) 9.224 4.026 ( -8.218 4.143 0.621) 9.224 4.243 ( -17.696 4.961 -2.307) 18.523 4.243 ( -17.696 4.961 2.307) 18.523 4.610 ( -1.865 -1.520 -5.511) 6.014 4.610 ( -1.865 -1.520 5.511) 6.014 4.850 ( 2.112 2.450 -2.900) 4.344 4.850 ( 2.112 2.450 2.900) 4.344 6.745 ( -0.011 1.274 -1.277) 1.804 6.745 ( -0.011 1.274 1.277) 1.804 6.840 ( -4.044 -1.170 -1.575) 4.495 6.840 ( -4.044 -1.170 1.575) 4.495 7.276 ( 0.644 -2.096 -3.678) 4.282 7.276 ( 0.644 -2.096 3.678) 4.282 7.417 ( -1.756 1.360 -3.074) 3.793 7.417 ( -1.756 1.360 3.074) 3.793 7.540 ( -1.404 -0.906 -2.950) 3.390 7.540 ( -1.404 -0.906 2.950) 3.390 7.643 ( -5.862 0.239 -3.470) 6.816 7.643 ( -5.862 0.239 3.470) 6.816 7.820 ( 5.308 0.500 -3.610) 6.439 7.820 ( 5.308 0.500 3.610) 6.439 8.464 ( -5.648 0.178 -1.384) 5.818 8.464 ( -5.648 0.178 1.384) 5.818 8.972 ( 6.168 -11.076 -8.092) 15.040 8.972 ( 6.168 -11.076 8.092) 15.040 9.264 ( 3.306 -0.275 -9.666) 10.219 9.264 ( 3.306 -0.275 9.666) 10.219 9.833 ( 3.449 2.204 -4.224) 5.882 9.833 ( 3.449 2.204 4.224) 5.882 ======================= Grid point 420 (125/147) ======================= q-point: (-0.31 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( -14.716 4.970 -6.067) 16.675 1.562 ( -14.716 4.970 6.067) 16.675 1.922 ( -12.984 7.601 -9.896) 18.008 1.922 ( -12.984 7.601 9.896) 18.008 2.371 ( -10.500 -2.569 -1.741) 10.949 2.371 ( -10.500 -2.569 1.741) 10.949 2.750 ( -6.164 -0.299 -2.829) 6.788 2.750 ( -6.164 -0.299 2.829) 6.788 2.971 ( -8.043 2.414 -5.739) 10.171 2.971 ( -8.043 2.414 5.739) 10.171 3.109 ( -18.858 2.403 -6.392) 20.056 3.109 ( -18.858 2.403 6.392) 20.056 3.362 ( -8.742 -1.273 -4.443) 9.889 3.362 ( -8.742 -1.273 4.443) 9.889 3.462 ( -3.590 -6.326 -8.695) 11.337 3.462 ( -3.590 -6.326 8.695) 11.337 3.766 ( -0.770 -0.591 -2.937) 3.093 3.766 ( -0.770 -0.591 2.937) 3.093 3.833 ( -3.049 6.154 -2.903) 7.457 3.833 ( -3.049 6.154 2.903) 7.457 4.085 ( -1.453 -4.319 -1.083) 4.684 4.085 ( -1.453 -4.319 1.083) 4.684 4.637 ( 0.853 -6.316 -6.449) 9.067 4.637 ( 0.853 -6.316 6.449) 9.067 4.900 ( 4.808 3.762 -4.441) 7.549 4.900 ( 4.808 3.762 4.441) 7.549 6.688 ( -9.603 -1.246 -1.264) 9.766 6.688 ( -9.603 -1.246 1.264) 9.766 6.750 ( -4.500 -1.860 -1.249) 5.027 6.750 ( -4.500 -1.860 1.249) 5.027 7.105 ( -12.791 3.715 -3.680) 13.818 7.105 ( -12.791 3.715 3.680) 13.818 7.391 ( -2.398 -0.301 -5.248) 5.778 7.391 ( -2.398 -0.301 5.248) 5.778 7.519 ( 1.523 -0.973 -0.965) 2.049 7.519 ( 1.523 -0.973 0.965) 2.049 7.659 ( 4.328 -1.368 -3.183) 5.544 7.659 ( 4.328 -1.368 3.183) 5.544 7.952 ( 7.330 1.193 -4.920) 8.908 7.952 ( 7.330 1.193 4.920) 8.908 8.322 ( -8.028 0.388 -1.302) 8.142 8.322 ( -8.028 0.388 1.302) 8.142 9.150 ( 5.406 -8.477 -5.198) 11.318 9.150 ( 5.406 -8.477 5.198) 11.318 9.347 ( 4.930 -0.915 -7.130) 8.717 9.347 ( 4.930 -0.915 7.130) 8.717 9.899 ( 4.720 2.765 -6.171) 8.246 9.899 ( 4.720 2.765 6.171) 8.246 ======================= Grid point 422 (126/147) ======================= q-point: (-0.23 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( -9.282 11.622 -12.857) 19.660 1.264 ( -9.282 11.622 12.857) 19.660 1.593 ( -15.456 12.529 -13.830) 24.231 1.593 ( -15.456 12.529 13.830) 24.231 2.138 ( -11.775 3.584 -9.456) 15.521 2.138 ( -11.775 3.584 9.456) 15.521 2.501 ( -12.999 3.247 -8.813) 16.037 2.501 ( -12.999 3.247 8.813) 16.037 2.818 ( -5.995 4.355 -10.602) 12.935 2.818 ( -5.995 4.355 10.602) 12.935 2.889 ( -1.409 -2.394 -1.845) 3.335 2.889 ( -1.409 -2.394 1.845) 3.335 3.184 ( -8.726 -3.860 -2.100) 9.770 3.184 ( -8.726 -3.860 2.100) 9.770 3.488 ( 0.590 -7.150 -7.963) 10.718 3.488 ( 0.590 -7.150 7.963) 10.718 3.736 ( -1.508 -1.383 -1.115) 2.331 3.736 ( -1.508 -1.383 1.115) 2.331 3.818 ( 1.096 1.442 -0.085) 1.813 3.818 ( 1.096 1.442 0.085) 1.813 4.133 ( 2.662 -4.643 -1.143) 5.472 4.133 ( 2.662 -4.643 1.143) 5.472 4.682 ( 0.191 -5.105 -2.768) 5.810 4.682 ( 0.191 -5.105 2.768) 5.810 4.989 ( 5.191 1.891 -1.861) 5.829 4.989 ( 5.191 1.891 1.861) 5.829 6.321 ( -23.872 -1.000 -3.346) 24.126 6.321 ( -23.872 -1.000 3.346) 24.126 6.699 ( -2.693 -2.996 -0.601) 4.073 6.699 ( -2.693 -2.996 0.601) 4.073 6.936 ( -2.869 2.182 -1.990) 4.117 6.936 ( -2.869 2.182 1.990) 4.117 7.304 ( -2.872 7.850 -6.775) 10.760 7.304 ( -2.872 7.850 6.775) 10.760 7.604 ( 3.419 -5.161 -3.812) 7.270 7.604 ( 3.419 -5.161 3.812) 7.270 7.749 ( 3.406 -1.975 -3.395) 5.199 7.749 ( 3.406 -1.975 3.395) 5.199 8.058 ( 3.324 1.741 -3.982) 5.472 8.058 ( 3.324 1.741 3.982) 5.472 8.172 ( -5.414 1.513 -2.740) 6.254 8.172 ( -5.414 1.513 2.740) 6.254 9.263 ( 2.196 -5.014 -2.686) 6.098 9.263 ( 2.196 -5.014 2.686) 6.098 9.462 ( 5.146 -1.440 -0.238) 5.349 9.462 ( 5.146 -1.440 0.238) 5.349 9.987 ( 5.043 1.001 -8.180) 9.662 9.987 ( 5.043 1.001 8.180) 9.662 ======================= Grid point 424 (127/147) ======================= q-point: (-0.15 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( -0.000 16.364 -17.778) 24.163 1.107 ( -0.000 16.364 17.778) 24.163 1.269 ( -0.000 17.397 -19.043) 25.793 1.269 ( -0.000 17.397 19.043) 25.793 1.979 ( -0.000 5.865 -24.454) 25.148 1.979 ( -0.000 5.865 24.454) 25.148 2.363 ( -0.000 0.091 -7.626) 7.626 2.363 ( -0.000 0.091 7.626) 7.626 2.725 ( -0.000 5.156 -10.702) 11.879 2.725 ( -0.000 5.156 10.702) 11.879 2.917 ( 0.000 -3.643 -1.368) 3.891 2.917 ( 0.000 -3.643 1.368) 3.891 3.115 ( 0.000 -4.578 -1.821) 4.927 3.115 ( 0.000 -4.578 1.821) 4.927 3.543 ( 0.000 -8.249 -6.418) 10.452 3.543 ( 0.000 -8.249 6.418) 10.452 3.731 ( 0.000 -1.768 -0.227) 1.782 3.731 ( 0.000 -1.768 0.227) 1.782 3.827 ( -0.000 0.238 -1.603) 1.621 3.827 ( -0.000 0.238 1.603) 1.621 4.199 ( 0.000 -4.655 -2.286) 5.186 4.199 ( 0.000 -4.655 2.286) 5.186 4.704 ( 0.000 -1.559 -2.011) 2.545 4.704 ( 0.000 -1.559 2.011) 2.545 5.044 ( -0.000 0.014 -2.579) 2.579 5.044 ( -0.000 0.014 2.579) 2.579 6.014 ( -0.000 2.149 -0.460) 2.198 6.014 ( -0.000 2.149 0.460) 2.198 6.690 ( 0.000 -3.637 -0.321) 3.651 6.690 ( 0.000 -3.637 0.321) 3.651 6.910 ( -0.000 0.426 -1.569) 1.626 6.910 ( -0.000 0.426 1.569) 1.626 7.215 ( -0.000 10.557 -5.783) 12.037 7.215 ( -0.000 10.557 5.783) 12.037 7.672 ( 0.000 -4.696 -3.783) 6.030 7.672 ( 0.000 -4.696 3.783) 6.030 7.804 ( 0.000 -3.279 -4.090) 5.242 7.804 ( 0.000 -3.279 4.090) 5.242 8.051 ( -0.000 0.689 -1.143) 1.335 8.051 ( -0.000 0.689 1.143) 1.335 8.127 ( -0.000 3.351 -5.767) 6.670 8.127 ( -0.000 3.351 5.767) 6.670 9.308 ( 0.000 -3.762 -4.453) 5.830 9.308 ( 0.000 -3.762 4.453) 5.830 9.523 ( 0.000 -0.144 -4.121) 4.123 9.523 ( 0.000 -0.144 4.121) 4.123 10.053 ( 0.000 -1.917 -8.227) 8.448 10.053 ( 0.000 -1.917 8.227) 8.448 ======================= Grid point 434 (128/147) ======================= q-point: ( 0.23 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( 0.512 0.000 -1.363) 1.456 2.497 ( 0.512 0.000 1.363) 1.456 2.522 ( 4.096 0.000 -0.304) 4.107 2.522 ( 4.096 0.000 0.304) 4.107 3.019 ( -0.519 -0.000 -1.159) 1.271 3.019 ( -0.519 -0.000 1.159) 1.271 3.154 ( 1.637 0.000 -0.993) 1.915 3.154 ( 1.637 0.000 0.993) 1.915 3.173 ( -4.329 -0.000 -1.412) 4.554 3.173 ( -4.329 -0.000 1.412) 4.554 3.414 ( 0.802 0.000 -8.193) 8.232 3.414 ( 0.802 0.000 8.193) 8.232 3.446 ( -2.054 -0.000 -8.219) 8.472 3.446 ( -2.054 -0.000 8.219) 8.472 3.568 ( -7.681 -0.000 -2.380) 8.041 3.568 ( -7.681 -0.000 2.380) 8.041 4.027 ( -0.347 -0.000 -0.000) 0.347 4.027 ( -0.347 -0.000 0.000) 0.347 4.083 ( 3.605 0.000 -2.041) 4.143 4.083 ( 3.605 0.000 2.041) 4.143 4.156 ( 2.862 0.000 -2.060) 3.527 4.156 ( 2.862 0.000 2.060) 3.527 4.994 ( 0.901 0.000 -9.511) 9.553 4.994 ( 0.901 0.000 9.511) 9.553 5.239 ( 10.836 0.000 -2.185) 11.054 5.239 ( 10.836 0.000 2.185) 11.054 6.788 ( 2.423 0.000 -2.531) 3.504 6.788 ( 2.423 0.000 2.531) 3.504 7.046 ( 1.318 0.000 -3.916) 4.132 7.046 ( 1.318 0.000 3.916) 4.132 7.218 ( -5.596 -0.000 -0.429) 5.612 7.218 ( -5.596 -0.000 0.429) 5.612 7.387 ( 4.101 0.000 -2.432) 4.768 7.387 ( 4.101 0.000 2.432) 4.768 7.541 ( 0.259 0.000 -0.456) 0.524 7.541 ( 0.259 0.000 0.456) 0.524 7.731 ( -1.298 -0.000 -6.388) 6.518 7.731 ( -1.298 -0.000 6.388) 6.518 8.067 ( 5.880 0.000 -2.701) 6.471 8.067 ( 5.880 0.000 2.701) 6.471 8.328 ( -7.425 -0.000 -3.363) 8.151 8.328 ( -7.425 -0.000 3.363) 8.151 8.868 ( -5.929 -0.000 -9.324) 11.049 8.868 ( -5.929 -0.000 9.324) 11.049 9.109 ( -2.352 -0.000 -9.468) 9.756 9.109 ( -2.352 -0.000 9.468) 9.756 9.705 ( 0.536 0.000 -0.032) 0.537 9.705 ( 0.536 0.000 0.032) 0.537 ======================= Grid point 436 (129/147) ======================= q-point: (-0.69 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( -2.949 -0.077 -0.461) 2.986 2.477 ( -2.949 -0.077 0.461) 2.986 2.570 ( 0.782 0.344 -2.213) 2.372 2.570 ( 0.782 0.344 2.213) 2.372 2.902 ( -9.079 -0.092 -0.862) 9.120 2.902 ( -9.079 -0.092 0.862) 9.120 3.103 ( -2.273 0.007 -1.752) 2.870 3.103 ( -2.273 0.007 1.752) 2.870 3.155 ( -2.196 0.209 -2.025) 2.995 3.155 ( -2.196 0.209 2.025) 2.995 3.370 ( -5.409 -0.934 -10.029) 11.433 3.370 ( -5.409 -0.934 10.029) 11.433 3.460 ( 1.712 -0.100 -5.695) 5.947 3.460 ( 1.712 -0.100 5.694) 5.947 3.475 ( -0.484 -0.149 -0.500) 0.712 3.475 ( -0.484 -0.149 0.500) 0.712 3.959 ( -3.847 0.675 -0.614) 3.954 3.959 ( -3.847 0.675 0.614) 3.954 4.172 ( 5.028 5.443 -1.939) 7.659 4.172 ( 5.028 5.443 1.939) 7.659 4.279 ( 5.903 -8.339 -3.015) 10.652 4.279 ( 5.903 -8.339 3.015) 10.652 4.987 ( -0.563 3.285 -10.798) 11.301 4.987 ( -0.563 3.285 10.798) 11.301 5.362 ( 1.106 -0.182 -4.798) 4.927 5.362 ( 1.106 -0.182 4.798) 4.927 6.792 ( -1.879 0.608 -1.052) 2.238 6.792 ( -1.879 0.608 1.052) 2.238 7.074 ( -1.169 -0.255 -2.666) 2.923 7.074 ( -1.169 -0.255 2.666) 2.923 7.116 ( -2.156 -0.957 -1.018) 2.569 7.116 ( -2.156 -0.957 1.018) 2.569 7.387 ( -2.521 0.070 -2.359) 3.453 7.387 ( -2.521 0.070 2.359) 3.453 7.599 ( 2.083 0.406 -1.100) 2.390 7.599 ( 2.083 0.406 1.100) 2.390 7.712 ( 1.062 -0.171 -5.792) 5.891 7.712 ( 1.062 -0.171 5.792) 5.891 8.075 ( -5.938 0.032 -2.283) 6.362 8.075 ( -5.938 0.032 2.283) 6.362 8.285 ( 4.614 -0.259 -1.368) 4.819 8.285 ( 4.614 -0.259 1.368) 4.819 8.768 ( -4.268 -0.491 -10.265) 11.128 8.768 ( -4.268 -0.491 10.265) 11.128 9.104 ( 1.651 0.119 -10.249) 10.382 9.104 ( 1.651 0.119 10.249) 10.382 9.719 ( 1.006 0.005 -0.771) 1.267 9.719 ( 1.006 0.005 0.771) 1.267 ======================= Grid point 438 (130/147) ======================= q-point: (-0.62 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( -8.743 -0.149 -1.953) 8.960 2.366 ( -8.743 -0.149 1.953) 8.960 2.527 ( -4.798 0.063 -5.613) 7.384 2.527 ( -4.798 0.063 5.613) 7.384 2.773 ( -4.264 -1.999 -2.557) 5.359 2.773 ( -4.264 -1.999 2.557) 5.359 3.047 ( -4.648 0.360 -0.548) 4.694 3.047 ( -4.648 0.360 0.548) 4.694 3.083 ( -3.544 -1.059 -3.081) 4.814 3.083 ( -3.544 -1.059 3.081) 4.814 3.275 ( -4.515 -2.479 -8.412) 9.864 3.275 ( -4.515 -2.479 8.412) 9.864 3.441 ( -0.723 -0.761 -5.162) 5.268 3.441 ( -0.723 -0.761 5.162) 5.268 3.549 ( 4.358 0.427 -7.125) 8.363 3.549 ( 4.358 0.427 7.125) 8.363 3.882 ( -3.715 0.776 -0.705) 3.860 3.882 ( -3.715 0.776 0.705) 3.860 4.214 ( 1.680 3.764 -2.577) 4.862 4.214 ( 1.680 3.764 2.577) 4.862 4.442 ( 5.873 -5.705 -4.471) 9.329 4.442 ( 5.873 -5.705 4.471) 9.329 4.931 ( -3.028 4.225 -10.500) 11.716 4.931 ( -3.028 4.225 10.500) 11.716 5.265 ( -10.632 2.259 -5.317) 12.100 5.265 ( -10.632 2.259 5.317) 12.100 6.746 ( -1.173 0.637 -1.446) 1.968 6.746 ( -1.173 0.637 1.446) 1.968 6.976 ( -5.468 -0.603 -1.347) 5.663 6.976 ( -5.468 -0.603 1.347) 5.663 7.166 ( 2.680 -1.054 -4.717) 5.527 7.166 ( 2.680 -1.054 4.717) 5.527 7.342 ( -1.408 -0.777 -3.564) 3.910 7.342 ( -1.408 -0.777 3.564) 3.910 7.591 ( -0.389 1.027 -2.149) 2.414 7.591 ( -0.389 1.027 2.149) 2.414 7.742 ( -0.727 -0.588 -2.086) 2.286 7.742 ( -0.727 -0.588 2.086) 2.286 7.959 ( -4.427 0.563 -3.236) 5.513 7.959 ( -4.427 0.563 3.236) 5.513 8.410 ( 6.414 -1.233 -3.619) 7.467 8.410 ( 6.414 -1.233 3.619) 7.467 8.708 ( -2.699 -2.650 -11.149) 11.773 8.708 ( -2.699 -2.650 11.149) 11.773 9.154 ( 3.018 0.189 -10.743) 11.160 9.154 ( 3.018 0.189 10.743) 11.160 9.748 ( 1.967 0.170 -1.636) 2.564 9.748 ( 1.967 0.170 1.636) 2.564 ======================= Grid point 440 (131/147) ======================= q-point: (-0.54 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( -12.607 0.236 -1.911) 12.753 2.147 ( -12.607 0.236 1.911) 12.753 2.417 ( -6.705 -0.592 -2.497) 7.179 2.417 ( -6.705 -0.592 2.497) 7.179 2.678 ( -7.426 -1.524 -4.403) 8.766 2.678 ( -7.426 -1.524 4.403) 8.766 2.931 ( -6.705 -0.594 -1.721) 6.948 2.931 ( -6.705 -0.594 1.721) 6.948 3.047 ( -1.228 -3.130 -3.212) 4.650 3.047 ( -1.228 -3.130 3.212) 4.650 3.245 ( -0.348 -3.923 -8.789) 9.631 3.245 ( -0.348 -3.923 8.789) 9.631 3.447 ( 0.419 -1.527 -3.545) 3.882 3.447 ( 0.419 -1.527 3.545) 3.882 3.618 ( 2.441 0.962 -6.175) 6.709 3.618 ( 2.441 0.962 6.175) 6.709 3.799 ( -4.011 0.692 -2.060) 4.562 3.799 ( -4.011 0.692 2.060) 4.562 4.185 ( -2.956 2.772 -1.767) 4.421 4.185 ( -2.956 2.772 1.767) 4.421 4.541 ( 0.824 -0.225 -2.769) 2.898 4.541 ( 0.824 -0.225 2.769) 2.898 4.807 ( -10.394 1.148 -8.897) 13.730 4.807 ( -10.394 1.148 8.897) 13.730 4.957 ( -13.228 5.291 -4.596) 14.970 4.957 ( -13.228 5.291 4.596) 14.970 6.753 ( 1.649 1.220 -1.806) 2.733 6.753 ( 1.649 1.220 1.806) 2.733 6.889 ( -3.938 -1.373 -2.110) 4.674 6.889 ( -3.938 -1.373 2.110) 4.674 7.206 ( 1.481 -0.733 -4.729) 5.010 7.206 ( 1.481 -0.733 4.729) 5.010 7.365 ( 2.739 -1.898 -4.595) 5.676 7.365 ( 2.739 -1.898 4.595) 5.676 7.591 ( 0.164 1.778 -1.639) 2.424 7.591 ( 0.165 1.778 1.639) 2.424 7.702 ( -2.419 -2.009 -0.553) 3.193 7.702 ( -2.419 -2.009 0.553) 3.193 7.867 ( -5.012 2.048 -1.164) 5.538 7.867 ( -5.012 2.048 1.164) 5.538 8.514 ( 1.961 -0.456 -2.821) 3.466 8.514 ( 1.961 -0.456 2.821) 3.466 8.710 ( 1.362 -7.027 -11.722) 13.734 8.710 ( 1.362 -7.027 11.722) 13.734 9.208 ( 2.622 0.198 -10.639) 10.959 9.208 ( 2.622 0.198 10.639) 10.959 9.794 ( 2.868 0.555 -2.656) 3.948 9.794 ( 2.868 0.555 2.656) 3.948 ======================= Grid point 442 (132/147) ======================= q-point: (-0.46 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( -13.387 1.203 -3.132) 13.802 1.885 ( -13.387 1.203 3.132) 13.802 2.249 ( -9.363 3.800 -1.903) 10.283 2.249 ( -9.363 3.800 1.903) 10.283 2.519 ( -9.079 -1.640 -3.560) 9.889 2.519 ( -9.079 -1.640 3.560) 9.889 2.806 ( -6.855 -4.294 -0.816) 8.130 2.806 ( -6.855 -4.294 0.816) 8.130 3.054 ( -0.365 -1.470 -6.534) 6.708 3.054 ( -0.365 -1.470 6.534) 6.708 3.277 ( -0.327 -4.371 -9.540) 10.499 3.277 ( -0.327 -4.371 9.540) 10.499 3.435 ( -4.328 -2.209 -0.493) 4.884 3.435 ( -4.329 -2.209 0.493) 4.884 3.583 ( -6.268 0.826 -1.727) 6.554 3.583 ( -6.268 0.826 1.727) 6.554 3.759 ( 0.419 0.095 -1.117) 1.197 3.759 ( 0.419 0.095 1.117) 1.197 4.063 ( -7.306 2.250 -1.206) 7.739 4.063 ( -7.306 2.250 1.206) 7.739 4.318 ( -19.494 7.556 -1.109) 20.936 4.318 ( -19.494 7.556 1.109) 20.936 4.585 ( -5.146 -2.704 -5.952) 8.320 4.585 ( -5.146 -2.704 5.952) 8.320 4.876 ( 2.301 1.874 -2.730) 4.032 4.876 ( 2.301 1.874 2.730) 4.032 6.755 ( -1.350 0.422 -1.381) 1.977 6.755 ( -1.350 0.422 1.381) 1.977 6.827 ( -3.876 -1.146 -1.241) 4.228 6.827 ( -3.876 -1.146 1.241) 4.228 7.254 ( 2.036 -1.604 -3.523) 4.374 7.254 ( 2.036 -1.604 3.523) 4.374 7.427 ( -0.407 0.362 -3.496) 3.539 7.427 ( -0.407 0.362 3.496) 3.539 7.539 ( -3.101 0.749 -2.814) 4.254 7.539 ( -3.101 0.749 2.814) 4.254 7.642 ( -5.098 -0.406 -4.007) 6.497 7.642 ( -5.098 -0.406 4.007) 6.497 7.826 ( 4.517 0.517 -3.581) 5.787 7.826 ( 4.517 0.517 3.581) 5.787 8.467 ( -5.575 0.334 -1.259) 5.725 8.467 ( -5.575 0.334 1.259) 5.725 8.854 ( 7.142 -9.106 -9.676) 15.084 8.854 ( 7.142 -9.106 9.676) 15.084 9.264 ( 3.273 0.077 -9.858) 10.388 9.264 ( 3.273 0.077 9.858) 10.388 9.853 ( 3.737 1.272 -3.871) 5.529 9.853 ( 3.737 1.272 3.871) 5.529 ======================= Grid point 444 (133/147) ======================= q-point: (-0.38 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( -12.325 3.770 -8.151) 15.250 1.614 ( -12.325 3.770 8.151) 15.250 2.019 ( -9.928 9.282 -5.862) 14.801 2.019 ( -9.928 9.282 5.862) 14.801 2.348 ( -9.186 -1.681 -1.791) 9.509 2.348 ( -9.186 -1.681 1.791) 9.509 2.717 ( -5.237 -5.015 -0.269) 7.256 2.717 ( -5.237 -5.015 0.269) 7.256 2.997 ( -8.325 2.374 -5.700) 10.365 2.997 ( -8.325 2.374 5.700) 10.365 3.137 ( -13.976 1.741 -6.566) 15.539 3.137 ( -13.976 1.741 6.566) 15.539 3.352 ( -11.049 -1.164 -1.211) 11.176 3.352 ( -11.049 -1.164 1.211) 11.176 3.393 ( -3.876 -4.729 -7.325) 9.541 3.393 ( -3.876 -4.729 7.325) 9.541 3.760 ( -1.156 -0.539 -2.963) 3.226 3.760 ( -1.156 -0.539 2.963) 3.226 3.912 ( -5.040 6.753 -4.116) 9.378 3.912 ( -5.040 6.753 4.116) 9.378 4.050 ( -2.952 -1.012 -0.882) 3.243 4.050 ( -2.952 -1.012 0.882) 3.243 4.555 ( -1.540 -7.719 -6.182) 10.008 4.555 ( -1.540 -7.719 6.182) 10.008 4.939 ( 4.839 2.852 -4.287) 7.066 4.939 ( 4.839 2.852 4.287) 7.066 6.674 ( -11.200 -1.028 -1.083) 11.299 6.674 ( -11.200 -1.028 1.083) 11.299 6.725 ( -4.951 -2.340 -1.349) 5.640 6.725 ( -4.951 -2.340 1.349) 5.640 7.140 ( -13.063 2.344 -2.215) 13.456 7.140 ( -13.063 2.344 2.215) 13.456 7.378 ( 1.461 -1.906 -4.388) 5.002 7.378 ( 1.461 -1.906 4.388) 5.002 7.526 ( -0.085 2.121 -2.285) 3.119 7.526 ( -0.085 2.121 2.285) 3.119 7.646 ( 4.129 -0.866 -2.850) 5.091 7.646 ( 4.129 -0.866 2.850) 5.091 7.961 ( 7.737 0.433 -5.973) 9.784 7.961 ( 7.737 0.433 5.973) 9.784 8.327 ( -7.742 0.552 -0.544) 7.781 8.327 ( -7.742 0.552 0.544) 7.781 9.053 ( 7.205 -7.986 -6.197) 12.413 9.053 ( 7.205 -7.986 6.197) 12.413 9.341 ( 4.594 -0.264 -8.021) 9.248 9.341 ( 4.594 -0.264 8.021) 9.248 9.927 ( 4.658 2.099 -5.425) 7.452 9.927 ( 4.658 2.099 5.425) 7.452 ======================= Grid point 446 (134/147) ======================= q-point: (-0.31 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( -6.893 8.105 -13.817) 17.439 1.381 ( -6.893 8.105 13.817) 17.439 1.746 ( -11.213 14.089 -9.779) 20.490 1.746 ( -11.213 14.089 9.779) 20.490 2.178 ( -7.296 3.094 -3.218) 8.553 2.178 ( -7.296 3.094 3.218) 8.553 2.534 ( -15.080 2.174 -5.444) 16.179 2.534 ( -15.080 2.174 5.444) 16.179 2.797 ( -2.464 -5.647 -3.746) 7.211 2.797 ( -2.464 -5.647 3.746) 7.211 2.945 ( -5.117 9.474 -13.077) 16.939 2.945 ( -5.117 9.474 13.077) 16.939 3.125 ( -10.488 -5.930 -2.880) 12.388 3.125 ( -10.488 -5.930 2.880) 12.388 3.417 ( 0.461 -5.173 -8.928) 10.329 3.417 ( 0.461 -5.173 8.928) 10.329 3.721 ( -2.283 -1.205 -1.476) 2.973 3.721 ( -2.283 -1.205 1.476) 2.973 3.841 ( -0.073 2.864 -2.235) 3.633 3.841 ( -0.073 2.864 2.235) 3.633 4.085 ( 2.750 -3.608 -1.472) 4.770 4.085 ( 2.750 -3.608 1.472) 4.770 4.594 ( -0.154 -9.655 -3.891) 10.410 4.594 ( -0.154 -9.655 3.891) 10.410 5.020 ( 4.640 2.937 -4.505) 7.103 5.020 ( 4.640 2.937 4.505) 7.103 6.314 ( -21.457 -0.153 -1.895) 21.541 6.314 ( -21.457 -0.153 1.895) 21.541 6.663 ( -3.340 -3.064 -0.933) 4.628 6.663 ( -3.340 -3.064 0.933) 4.628 6.951 ( -4.727 0.618 -1.566) 5.018 6.951 ( -4.727 0.618 1.566) 5.018 7.394 ( 0.531 6.526 -7.859) 10.229 7.394 ( 0.531 6.526 7.859) 10.229 7.548 ( 2.143 -3.329 -2.623) 4.749 7.548 ( 2.143 -3.329 2.623) 4.749 7.731 ( 3.313 -1.137 -3.512) 4.960 7.731 ( 3.313 -1.137 3.512) 4.960 8.076 ( 2.789 1.173 -4.655) 5.553 8.076 ( 2.789 1.173 4.655) 5.553 8.188 ( -4.285 1.167 -2.558) 5.125 8.188 ( -4.285 1.167 2.558) 5.125 9.200 ( 3.329 -5.741 -1.814) 6.879 9.200 ( 3.329 -5.741 1.814) 6.879 9.446 ( 5.024 -1.342 -3.219) 6.116 9.446 ( 5.024 -1.342 3.219) 6.116 10.004 ( 4.035 1.932 -7.336) 8.593 10.004 ( 4.035 1.932 7.336) 8.593 ======================= Grid point 448 (135/147) ======================= q-point: (-0.23 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( -0.000 11.095 -18.542) 21.608 1.269 ( -0.000 11.095 18.542) 21.608 1.486 ( -0.000 19.611 -14.252) 24.243 1.486 ( -0.000 19.611 14.252) 24.243 2.061 ( -0.000 7.902 -9.519) 12.372 2.061 ( -0.000 7.902 9.519) 12.372 2.364 ( -0.000 0.004 -6.726) 6.726 2.364 ( -0.000 0.004 6.726) 6.726 2.805 ( -0.000 8.161 -18.488) 20.209 2.805 ( -0.000 8.161 18.488) 20.209 2.865 ( 0.000 -5.366 -1.475) 5.565 2.865 ( 0.000 -5.366 1.475) 5.565 3.046 ( 0.000 -6.602 -4.697) 8.103 3.046 ( 0.000 -6.602 4.697) 8.103 3.456 ( 0.000 -6.389 -8.282) 10.460 3.456 ( 0.000 -6.389 8.282) 10.460 3.708 ( 0.000 -2.059 -0.347) 2.088 3.708 ( 0.000 -2.059 0.347) 2.088 3.834 ( -0.000 1.078 -0.629) 1.247 3.834 ( -0.000 1.078 0.629) 1.247 4.147 ( 0.000 -4.404 -2.661) 5.146 4.147 ( 0.000 -4.404 2.661) 5.146 4.645 ( 0.000 -8.097 -2.990) 8.632 4.645 ( 0.000 -8.097 2.990) 8.632 5.060 ( -0.000 2.264 -3.099) 3.838 5.060 ( -0.000 2.264 3.099) 3.838 6.043 ( -0.000 2.759 -0.361) 2.783 6.043 ( -0.000 2.759 0.361) 2.783 6.646 ( 0.000 -3.729 -0.637) 3.783 6.646 ( 0.000 -3.729 0.637) 3.783 6.911 ( 0.000 -0.293 -1.347) 1.378 6.911 ( 0.000 -0.293 1.347) 1.378 7.342 ( -0.000 10.887 -7.323) 13.121 7.342 ( -0.000 10.887 7.323) 13.121 7.606 ( 0.000 -6.092 -3.939) 7.254 7.606 ( 0.000 -6.092 3.939) 7.254 7.776 ( 0.000 -1.603 -3.775) 4.101 7.776 ( 0.000 -1.603 3.775) 4.101 8.060 ( -0.000 0.818 -1.131) 1.396 8.060 ( -0.000 0.818 1.131) 1.396 8.163 ( -0.000 2.691 -7.327) 7.805 8.163 ( -0.000 2.691 7.327) 7.805 9.259 ( 0.000 -4.627 -2.012) 5.046 9.259 ( 0.000 -4.627 2.012) 5.046 9.512 ( 0.000 -1.519 -1.603) 2.208 9.512 ( 0.000 -1.519 1.603) 2.208 10.044 ( -0.000 0.404 -8.540) 8.550 10.044 ( -0.000 0.404 8.540) 8.550 ======================= Grid point 462 (136/147) ======================= q-point: (-0.69 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( -8.606 -0.000 -1.776) 8.787 2.365 ( -8.606 -0.000 1.776) 8.787 2.527 ( -5.523 -0.000 -5.811) 8.017 2.527 ( -5.523 -0.000 5.810) 8.017 2.761 ( -4.031 -0.000 -2.642) 4.820 2.761 ( -4.031 -0.000 2.642) 4.820 3.049 ( -3.879 -0.000 -0.874) 3.976 3.049 ( -3.879 -0.000 0.874) 3.976 3.077 ( -4.739 -0.000 -0.588) 4.775 3.077 ( -4.739 -0.000 0.588) 4.775 3.260 ( -4.650 -0.000 -7.305) 8.659 3.260 ( -4.650 -0.000 7.305) 8.659 3.436 ( -0.767 -0.000 -5.707) 5.758 3.436 ( -0.767 -0.000 5.707) 5.758 3.552 ( 4.451 0.000 -6.865) 8.182 3.552 ( 4.451 0.000 6.865) 8.182 3.887 ( -3.748 -0.000 -0.619) 3.799 3.887 ( -3.748 -0.000 0.619) 3.799 4.240 ( 0.524 0.000 -2.613) 2.665 4.240 ( 0.524 0.000 2.613) 2.665 4.404 ( 7.994 0.000 -1.109) 8.070 4.404 ( 7.994 0.000 1.109) 8.070 4.955 ( -3.829 -0.000 -11.057) 11.701 4.955 ( -3.829 -0.000 11.057) 11.701 5.278 ( -9.975 -0.000 -4.997) 11.156 5.278 ( -9.975 -0.000 4.997) 11.156 6.750 ( -1.189 -0.000 -1.344) 1.795 6.750 ( -1.189 -0.000 1.344) 1.795 6.973 ( -5.661 -0.000 -1.158) 5.778 6.973 ( -5.661 -0.000 1.158) 5.778 7.159 ( 3.168 0.000 -4.686) 5.656 7.159 ( 3.168 0.000 4.686) 5.656 7.337 ( -1.819 -0.000 -3.749) 4.166 7.337 ( -1.819 -0.000 3.749) 4.166 7.598 ( -0.411 -0.000 -1.943) 1.986 7.598 ( -0.411 -0.000 1.943) 1.986 7.738 ( -0.924 -0.000 -1.844) 2.062 7.738 ( -0.924 -0.000 1.844) 2.062 7.963 ( -4.080 -0.000 -2.986) 5.056 7.963 ( -4.080 -0.000 2.986) 5.056 8.402 ( 6.248 0.000 -3.899) 7.365 8.402 ( 6.248 0.000 3.899) 7.365 8.693 ( -3.168 -0.000 -11.256) 11.693 8.693 ( -3.168 -0.000 11.256) 11.693 9.155 ( 3.018 0.000 -10.771) 11.185 9.155 ( 3.018 0.000 10.771) 11.185 9.748 ( 2.006 0.000 -1.629) 2.585 9.748 ( 2.006 0.000 1.629) 2.585 ======================= Grid point 466 (137/147) ======================= q-point: (-0.62 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( -12.379 0.150 -1.370) 12.455 2.150 ( -12.379 0.150 1.371) 12.455 2.411 ( -5.702 -0.313 -1.378) 5.875 2.411 ( -5.702 -0.313 1.378) 5.875 2.665 ( -7.144 -0.575 -4.841) 8.649 2.665 ( -7.144 -0.575 4.841) 8.649 2.922 ( -8.948 -0.692 -0.552) 8.991 2.922 ( -8.948 -0.692 0.552) 8.991 3.026 ( -0.104 -0.581 -1.269) 1.399 3.026 ( -0.104 -0.581 1.269) 1.399 3.213 ( -0.585 -1.494 -4.729) 4.994 3.213 ( -0.585 -1.494 4.729) 4.994 3.436 ( 0.331 -0.444 -4.763) 4.795 3.436 ( 0.331 -0.444 4.763) 4.795 3.626 ( 2.571 0.338 -5.777) 6.332 3.626 ( 2.571 0.338 5.777) 6.332 3.806 ( -4.276 0.328 -1.642) 4.592 3.806 ( -4.276 0.328 1.642) 4.592 4.208 ( -3.508 1.099 -1.255) 3.884 4.208 ( -3.508 1.099 1.255) 3.884 4.536 ( 3.793 -0.350 -1.771) 4.200 4.536 ( 3.793 -0.350 1.771) 4.200 4.816 ( -12.004 0.390 -9.790) 15.495 4.816 ( -12.004 0.390 9.790) 15.495 5.001 ( -13.721 2.043 -4.851) 14.696 5.001 ( -13.721 2.043 4.851) 14.696 6.763 ( 1.752 0.488 -1.655) 2.459 6.763 ( 1.752 0.488 1.655) 2.459 6.877 ( -4.031 -0.563 -1.754) 4.432 6.877 ( -4.031 -0.563 1.754) 4.432 7.199 ( 1.093 -0.286 -4.441) 4.583 7.199 ( 1.093 -0.286 4.441) 4.583 7.349 ( 3.076 -0.716 -5.053) 5.959 7.349 ( 3.076 -0.716 5.053) 5.959 7.609 ( 1.195 1.162 -1.256) 2.087 7.609 ( 1.195 1.162 1.256) 2.087 7.681 ( -3.534 -1.243 -0.916) 3.857 7.681 ( -3.534 -1.243 0.916) 3.857 7.884 ( -4.831 0.798 -0.683) 4.944 7.884 ( -4.831 0.798 0.683) 4.944 8.509 ( 3.068 -0.362 -3.265) 4.494 8.509 ( 3.068 -0.362 3.265) 4.494 8.655 ( -0.045 -2.375 -12.359) 12.585 8.655 ( -0.045 -2.375 12.359) 12.585 9.210 ( 2.590 0.093 -10.695) 11.004 9.210 ( 2.590 0.093 10.695) 11.004 9.798 ( 2.983 0.156 -2.562) 3.935 9.798 ( 2.983 0.156 2.562) 3.935 ======================= Grid point 468 (138/147) ======================= q-point: (-0.54 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( -12.873 0.672 -4.347) 13.604 1.896 ( -12.873 0.672 4.347) 13.604 2.293 ( -5.800 3.431 -1.058) 6.821 2.293 ( -5.800 3.431 1.058) 6.821 2.504 ( -9.019 -0.744 -4.530) 10.120 2.504 ( -9.019 -0.744 4.530) 10.120 2.748 ( -9.224 -5.038 -0.607) 10.528 2.748 ( -9.224 -5.038 0.607) 10.528 3.049 ( 1.427 0.456 -3.727) 4.017 3.049 ( 1.427 0.456 3.727) 4.017 3.232 ( 0.257 -3.180 -6.772) 7.486 3.232 ( 0.257 -3.180 6.772) 7.486 3.416 ( -4.638 -1.065 -1.258) 4.922 3.416 ( -4.638 -1.065 1.258) 4.922 3.594 ( -6.348 0.858 -1.844) 6.666 3.594 ( -6.348 0.858 1.844) 6.666 3.759 ( 0.215 -0.001 -0.743) 0.774 3.759 ( 0.215 -0.001 0.743) 0.774 4.081 ( -8.522 0.969 -1.661) 8.737 4.081 ( -8.522 0.969 1.661) 8.737 4.406 ( -17.728 7.152 -2.490) 19.278 4.406 ( -17.728 7.152 2.490) 19.278 4.548 ( -7.618 -3.782 -5.531) 10.146 4.548 ( -7.618 -3.782 5.531) 10.146 4.892 ( 1.819 0.935 -2.199) 3.003 4.892 ( 1.819 0.935 2.199) 3.003 6.757 ( -2.468 0.034 -1.535) 2.907 6.757 ( -2.468 0.034 1.535) 2.907 6.815 ( -3.772 -0.796 -0.841) 3.945 6.815 ( -3.772 -0.796 0.841) 3.945 7.240 ( 2.527 -0.834 -3.485) 4.384 7.240 ( 2.527 -0.834 3.485) 4.384 7.428 ( 1.574 -0.105 -3.585) 3.917 7.428 ( 1.574 -0.105 3.585) 3.917 7.552 ( -5.954 1.173 -2.724) 6.652 7.552 ( -5.954 1.173 2.724) 6.652 7.635 ( -2.728 -0.646 -3.609) 4.570 7.635 ( -2.728 -0.646 3.609) 4.570 7.831 ( 3.361 0.373 -3.389) 4.788 7.831 ( 3.361 0.373 3.389) 4.788 8.472 ( -5.454 0.355 -1.593) 5.693 8.472 ( -5.454 0.355 1.593) 5.693 8.769 ( 7.917 -5.221 -10.945) 14.482 8.769 ( 7.917 -5.221 10.945) 14.482 9.265 ( 3.219 0.094 -9.920) 10.430 9.265 ( 3.219 0.094 9.920) 10.430 9.864 ( 3.961 0.570 -3.571) 5.364 9.864 ( 3.961 0.570 3.571) 5.364 ======================= Grid point 470 (139/147) ======================= q-point: (-0.46 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( -11.383 1.835 -9.120) 14.701 1.646 ( -11.383 1.835 9.120) 14.701 2.133 ( -6.574 10.190 -4.332) 12.877 2.133 ( -6.574 10.190 4.332) 12.877 2.330 ( -8.703 -1.300 -2.557) 9.164 2.330 ( -8.703 -1.300 2.557) 9.164 2.643 ( -5.277 -7.521 -1.007) 9.243 2.643 ( -5.277 -7.521 1.007) 9.243 3.029 ( -7.310 3.111 -5.459) 9.639 3.029 ( -7.310 3.111 5.459) 9.639 3.143 ( -11.228 -0.415 -4.263) 12.017 3.143 ( -11.228 -0.415 4.263) 12.017 3.303 ( -6.333 -5.579 -9.220) 12.500 3.303 ( -6.333 -5.579 9.220) 12.500 3.387 ( -9.868 1.804 -1.013) 10.082 3.387 ( -9.868 1.804 1.013) 10.082 3.754 ( -1.457 -0.431 -2.520) 2.942 3.754 ( -1.457 -0.431 2.520) 2.942 3.955 ( -2.553 0.511 -2.697) 3.749 3.955 ( -2.553 0.511 2.697) 3.749 4.091 ( -7.425 8.144 -0.363) 11.027 4.091 ( -7.425 8.144 0.363) 11.027 4.460 ( -4.476 -8.656 -4.587) 10.770 4.460 ( -4.476 -8.656 4.587) 10.770 4.964 ( 5.008 1.579 -3.818) 6.492 4.964 ( 5.008 1.579 3.818) 6.492 6.665 ( -12.022 -0.671 -0.906) 12.075 6.665 ( -12.022 -0.671 0.906) 12.075 6.699 ( -5.013 -1.928 -1.476) 5.571 6.699 ( -5.013 -1.928 1.476) 5.571 7.160 ( -13.660 1.085 -1.167) 13.753 7.160 ( -13.660 1.085 1.167) 13.753 7.354 ( 1.662 -1.996 -4.071) 4.829 7.354 ( 1.662 -1.996 4.071) 4.829 7.558 ( 2.136 2.908 -2.842) 4.594 7.558 ( 2.136 2.908 2.842) 4.594 7.639 ( 3.328 -0.344 -1.676) 3.742 7.639 ( 3.328 -0.344 1.676) 3.742 7.962 ( 7.854 -0.213 -7.058) 10.562 7.962 ( 7.854 -0.213 7.058) 10.562 8.334 ( -7.622 0.577 -0.454) 7.657 8.334 ( -7.622 0.577 0.454) 7.657 8.973 ( 8.564 -5.638 -7.056) 12.447 8.973 ( 8.564 -5.638 7.056) 12.447 9.339 ( 4.338 -0.064 -8.324) 9.387 9.339 ( 4.338 -0.064 8.324) 9.387 9.947 ( 4.867 1.310 -4.747) 6.924 9.947 ( 4.867 1.310 4.747) 6.924 ======================= Grid point 472 (140/147) ======================= q-point: (-0.38 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( -6.485 3.710 -13.920) 15.798 1.448 ( -6.485 3.710 13.920) 15.798 1.914 ( -8.152 14.595 -7.392) 18.279 1.914 ( -8.152 14.595 7.392) 18.279 2.201 ( -4.289 0.677 -1.930) 4.752 2.201 ( -4.289 0.677 1.930) 4.752 2.544 ( -13.014 -0.683 -2.457) 13.261 2.544 ( -13.014 -0.683 2.457) 13.261 2.735 ( -5.833 -4.402 -2.754) 7.809 2.735 ( -5.833 -4.402 2.754) 7.809 3.029 ( -9.203 -0.798 -2.428) 9.551 3.029 ( -9.203 -0.798 2.428) 9.551 3.086 ( -5.830 4.804 -13.477) 15.450 3.086 ( -5.830 4.804 13.477) 15.450 3.366 ( 0.526 -3.774 -8.086) 8.939 3.366 ( 0.526 -3.774 8.086) 8.939 3.709 ( -2.923 -0.836 -1.767) 3.516 3.709 ( -2.923 -0.836 1.767) 3.516 3.889 ( -1.182 5.291 -4.702) 7.176 3.889 ( -1.182 5.291 4.702) 7.176 4.052 ( 1.983 -1.797 -0.972) 2.847 4.052 ( 1.983 -1.797 0.972) 2.847 4.470 ( -0.938 -11.442 -2.213) 11.691 4.470 ( -0.938 -11.442 2.213) 11.691 5.049 ( 4.257 2.031 -5.156) 6.988 5.049 ( 4.257 2.031 5.156) 6.988 6.316 ( -19.426 0.424 -1.077) 19.460 6.316 ( -19.426 0.424 1.077) 19.460 6.630 ( -3.611 -2.600 -1.255) 4.623 6.630 ( -3.611 -2.600 1.255) 4.623 6.954 ( -5.909 -0.120 -1.178) 6.027 6.954 ( -5.909 -0.120 1.178) 6.027 7.419 ( 2.443 -1.858 -6.147) 6.871 7.419 ( 2.443 -1.858 6.147) 6.871 7.561 ( 1.235 5.158 -1.467) 5.503 7.561 ( 1.235 5.158 1.467) 5.503 7.720 ( 3.520 -0.812 -3.099) 4.759 7.720 ( 3.520 -0.812 3.099) 4.759 8.085 ( 2.844 0.414 -5.975) 6.630 8.085 ( 2.844 0.414 5.975) 6.630 8.198 ( -4.127 0.476 -2.467) 4.832 8.198 ( -4.127 0.476 2.467) 4.832 9.137 ( 4.426 -4.897 -2.551) 7.076 9.137 ( 4.426 -4.897 2.551) 7.076 9.433 ( 4.477 -0.892 -5.103) 6.847 9.433 ( 4.477 -0.892 5.103) 6.847 10.027 ( 3.829 1.929 -6.188) 7.528 10.027 ( 3.829 1.929 6.188) 7.528 ======================= Grid point 474 (141/147) ======================= q-point: (-0.31 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( -0.000 5.226 -17.509) 18.272 1.361 ( -0.000 5.226 17.509) 18.272 1.709 ( -0.000 18.514 -10.036) 21.059 1.709 ( -0.000 18.514 10.036) 21.059 2.144 ( -0.000 5.657 -4.595) 7.288 2.144 ( -0.000 5.657 4.595) 7.288 2.364 ( 0.000 -0.044 -5.656) 5.656 2.364 ( 0.000 -0.044 5.656) 5.656 2.794 ( 0.000 -6.767 -1.377) 6.906 2.794 ( 0.000 -6.767 1.377) 6.906 2.867 ( 0.000 -0.291 -16.982) 16.985 2.867 ( 0.000 -0.291 16.982) 16.985 3.017 ( -0.000 4.838 -12.347) 13.261 3.017 ( -0.000 4.838 12.347) 13.261 3.396 ( 0.000 -4.312 -8.446) 9.483 3.396 ( 0.000 -4.312 8.446) 9.483 3.685 ( 0.000 -1.847 -0.642) 1.956 3.685 ( 0.000 -1.847 0.642) 1.956 3.858 ( -0.000 3.338 -3.257) 4.664 3.858 ( -0.000 3.338 3.257) 4.664 4.098 ( 0.000 -3.902 -1.569) 4.206 4.098 ( 0.000 -3.902 1.569) 4.206 4.531 ( 0.000 -11.259 -2.545) 11.543 4.531 ( 0.000 -11.259 2.545) 11.543 5.086 ( -0.000 2.069 -5.228) 5.623 5.086 ( -0.000 2.069 5.228) 5.623 6.076 ( -0.000 2.796 -0.210) 2.804 6.076 ( -0.000 2.796 0.210) 2.804 6.606 ( 0.000 -3.116 -1.050) 3.288 6.606 ( 0.000 -3.116 1.050) 3.288 6.904 ( 0.000 -0.849 -1.137) 1.419 6.904 ( 0.000 -0.849 1.137) 1.419 7.441 ( -0.000 3.966 -8.095) 9.015 7.441 ( -0.000 3.966 8.095) 9.015 7.558 ( -0.000 0.056 -1.646) 1.647 7.558 ( -0.000 0.056 1.646) 1.647 7.764 ( 0.000 -0.618 -3.490) 3.545 7.764 ( 0.000 -0.618 3.490) 3.545 8.070 ( -0.000 0.756 -1.122) 1.353 8.070 ( -0.000 0.756 1.122) 1.353 8.185 ( -0.000 1.004 -8.773) 8.830 8.185 ( -0.000 1.004 8.773) 8.830 9.204 ( 0.000 -4.564 -0.489) 4.590 9.204 ( 0.000 -4.564 0.489) 4.590 9.493 ( 0.000 -1.681 -2.563) 3.065 9.493 ( 0.000 -1.681 2.563) 3.065 10.058 ( -0.000 1.788 -7.399) 7.612 10.058 ( -0.000 1.788 7.399) 7.612 ======================= Grid point 492 (142/147) ======================= q-point: (-0.62 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( -12.769 -0.000 -4.734) 13.619 1.900 ( -12.769 -0.000 4.734) 13.619 2.316 ( -3.924 -0.000 -0.680) 3.983 2.316 ( -3.924 -0.000 0.680) 3.983 2.501 ( -8.765 -0.000 -5.191) 10.187 2.501 ( -8.765 -0.000 5.191) 10.187 2.713 ( -10.655 -0.000 -1.428) 10.750 2.713 ( -10.655 -0.000 1.428) 10.750 3.054 ( 2.042 0.000 -0.815) 2.198 3.054 ( 2.042 0.000 0.815) 2.198 3.211 ( 0.240 0.000 -2.041) 2.055 3.211 ( 0.240 0.000 2.041) 2.055 3.410 ( -4.812 -0.000 -1.639) 5.083 3.410 ( -4.812 -0.000 1.639) 5.083 3.599 ( -6.270 -0.000 -2.003) 6.582 3.599 ( -6.270 -0.000 2.003) 6.582 3.759 ( 0.110 0.000 -0.640) 0.650 3.759 ( 0.110 0.000 0.640) 0.650 4.087 ( -9.161 -0.000 -1.693) 9.316 4.087 ( -9.161 -0.000 1.693) 9.316 4.464 ( -17.798 -0.000 -1.898) 17.899 4.464 ( -17.798 -0.000 1.898) 17.899 4.510 ( -7.433 -0.000 -1.356) 7.556 4.510 ( -7.433 -0.000 1.356) 7.556 4.898 ( 1.539 0.000 -1.887) 2.435 4.898 ( 1.539 0.000 1.887) 2.435 6.757 ( -2.913 -0.000 -1.555) 3.301 6.757 ( -2.913 -0.000 1.555) 3.302 6.810 ( -3.719 -0.000 -0.647) 3.775 6.810 ( -3.719 -0.000 0.647) 3.775 7.235 ( 2.648 0.000 -3.483) 4.375 7.235 ( 2.648 0.000 3.483) 4.375 7.427 ( 2.315 0.000 -3.559) 4.245 7.427 ( 2.315 0.000 3.559) 4.245 7.560 ( -7.723 -0.000 -2.746) 8.197 7.560 ( -7.723 -0.000 2.746) 8.197 7.631 ( -0.963 -0.000 -3.015) 3.165 7.631 ( -0.963 -0.000 3.015) 3.165 7.834 ( 2.813 0.000 -3.267) 4.311 7.834 ( 2.813 0.000 3.267) 4.311 8.474 ( -5.406 -0.000 -1.880) 5.724 8.474 ( -5.406 -0.000 1.880) 5.724 8.738 ( 8.226 0.000 -11.482) 14.125 8.738 ( 8.226 0.000 11.482) 14.125 9.265 ( 3.196 0.000 -9.936) 10.437 9.265 ( 3.196 0.000 9.936) 10.437 9.867 ( 4.046 0.000 -3.455) 5.321 9.867 ( 4.046 0.000 3.455) 5.321 ======================= Grid point 496 (143/147) ======================= q-point: (-0.54 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( -11.150 0.487 -8.941) 14.301 1.658 ( -11.150 0.487 8.941) 14.301 2.233 ( -3.765 5.584 -2.580) 7.212 2.233 ( -3.765 5.584 2.580) 7.212 2.322 ( -9.284 -0.027 -3.918) 10.076 2.322 ( -9.284 -0.027 3.918) 10.076 2.562 ( -5.189 -5.137 -2.761) 7.806 2.562 ( -5.189 -5.137 2.761) 7.806 3.062 ( -5.987 2.015 -3.896) 7.422 3.062 ( -5.987 2.015 3.896) 7.422 3.136 ( -11.925 -0.534 -1.326) 12.011 3.136 ( -11.925 -0.534 1.326) 12.011 3.251 ( -5.032 -2.801 -8.130) 9.963 3.251 ( -5.032 -2.801 8.130) 9.963 3.406 ( -10.709 0.969 -0.302) 10.757 3.406 ( -10.709 0.969 0.302) 10.757 3.750 ( -1.621 -0.166 -2.037) 2.609 3.750 ( -1.621 -0.166 2.037) 2.609 3.952 ( -1.863 -0.399 -1.684) 2.543 3.952 ( -1.863 -0.399 1.684) 2.543 4.197 ( -7.867 8.334 -2.179) 11.666 4.197 ( -7.867 8.334 2.179) 11.666 4.361 ( -7.342 -7.665 -2.056) 10.811 4.361 ( -7.342 -7.665 2.056) 10.811 4.976 ( 5.108 0.478 -3.355) 6.130 4.976 ( 5.108 0.478 3.355) 6.130 6.659 ( -12.398 -0.233 -0.797) 12.426 6.659 ( -12.398 -0.233 0.797) 12.426 6.683 ( -4.879 -0.745 -1.574) 5.180 6.683 ( -4.879 -0.745 1.574) 5.180 7.167 ( -13.957 0.302 -0.574) 13.972 7.167 ( -13.957 0.302 0.574) 13.972 7.337 ( 1.144 -0.784 -3.983) 4.217 7.337 ( 1.144 -0.784 3.983) 4.217 7.582 ( 4.834 1.121 -1.398) 5.155 7.582 ( 4.834 1.121 1.398) 5.155 7.638 ( 1.944 0.084 -0.583) 2.031 7.638 ( 1.944 0.084 0.583) 2.031 7.959 ( 7.787 -0.223 -7.782) 11.012 7.959 ( 7.787 -0.223 7.782) 11.012 8.339 ( -7.627 0.263 -1.014) 7.699 8.339 ( -7.627 0.263 1.014) 7.699 8.928 ( 9.345 -2.045 -7.571) 12.200 8.928 ( 9.345 -2.045 7.571) 12.200 9.339 ( 4.206 -0.009 -8.424) 9.416 9.339 ( 4.206 -0.009 8.424) 9.416 9.957 ( 5.053 0.446 -4.347) 6.680 9.957 ( 5.053 0.446 4.347) 6.680 ======================= Grid point 498 (144/147) ======================= q-point: (-0.46 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( -6.484 1.290 -12.342) 14.001 1.475 ( -6.484 1.290 12.342) 14.001 2.066 ( -7.338 10.937 -4.985) 14.082 2.066 ( -7.338 10.937 4.985) 14.082 2.197 ( -3.232 -1.061 -2.896) 4.467 2.197 ( -3.232 -1.061 2.896) 4.467 2.520 ( -6.979 -2.800 -2.008) 7.783 2.520 ( -6.979 -2.800 2.008) 7.783 2.698 ( -12.223 -2.198 -1.180) 12.476 2.698 ( -12.224 -2.198 1.180) 12.476 2.993 ( -11.054 -2.543 -3.637) 11.912 2.993 ( -11.054 -2.543 3.637) 11.912 3.167 ( -1.082 5.898 -15.318) 16.450 3.167 ( -1.082 5.898 15.318) 16.450 3.328 ( 0.017 -2.753 -6.160) 6.748 3.328 ( 0.017 -2.753 6.160) 6.748 3.702 ( -3.228 -0.418 -1.621) 3.636 3.702 ( -3.228 -0.418 1.621) 3.636 3.945 ( -0.233 3.051 -4.100) 5.116 3.945 ( -0.233 3.051 4.100) 5.116 4.062 ( -0.995 4.450 -0.518) 4.589 4.062 ( -0.995 4.450 0.518) 4.589 4.337 ( -1.502 -11.341 -2.118) 11.635 4.337 ( -1.502 -11.341 2.118) 11.635 5.066 ( 3.983 0.890 -4.692) 6.218 5.066 ( 3.983 0.890 4.692) 6.218 6.322 ( -18.086 0.455 -0.712) 18.106 6.322 ( -18.086 0.455 0.712) 18.106 6.606 ( -3.617 -1.537 -1.510) 4.210 6.606 ( -3.617 -1.537 1.510) 4.210 6.951 ( -6.614 -0.225 -0.932) 6.683 6.951 ( -6.614 -0.225 0.932) 6.683 7.390 ( 2.147 -2.139 -4.702) 5.594 7.390 ( 2.147 -2.139 4.702) 5.594 7.624 ( 1.765 4.722 -2.236) 5.515 7.624 ( 1.765 4.722 2.236) 5.515 7.711 ( 3.968 -0.779 -2.135) 4.573 7.711 ( 3.968 -0.779 2.135) 4.573 8.086 ( 3.342 -0.116 -7.695) 8.390 8.086 ( 3.342 -0.116 7.695) 8.390 8.200 ( -4.750 0.050 -2.654) 5.442 8.200 ( -4.750 0.050 2.654) 5.442 9.092 ( 5.200 -2.756 -2.884) 6.554 9.092 ( 5.200 -2.756 2.884) 6.554 9.425 ( 4.053 -0.425 -6.023) 7.272 9.425 ( 4.053 -0.425 6.023) 7.272 10.046 ( 3.919 1.160 -5.300) 6.693 10.046 ( 3.919 1.160 5.300) 6.693 ======================= Grid point 500 (145/147) ======================= q-point: (-0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( -0.000 2.086 -14.753) 14.900 1.401 ( -0.000 2.086 14.753) 14.900 1.902 ( -0.000 14.346 -6.309) 15.672 1.902 ( -0.000 14.346 6.309) 15.672 2.179 ( -0.000 0.495 -4.690) 4.716 2.179 ( -0.000 0.495 4.690) 4.716 2.364 ( -0.000 0.126 -4.589) 4.591 2.364 ( -0.000 0.126 4.589) 4.591 2.713 ( 0.000 -6.957 -1.008) 7.030 2.713 ( 0.000 -6.957 1.008) 7.030 2.840 ( 0.000 -1.894 -10.707) 10.873 2.840 ( 0.000 -1.894 10.707) 10.873 3.117 ( -0.000 9.469 -16.896) 19.369 3.117 ( -0.000 9.469 16.896) 19.369 3.352 ( 0.000 -3.541 -7.739) 8.511 3.352 ( 0.000 -3.541 7.739) 8.511 3.667 ( 0.000 -1.244 -0.801) 1.479 3.667 ( 0.000 -1.244 0.801) 1.479 3.911 ( -0.000 5.576 -5.485) 7.822 3.911 ( -0.000 5.576 5.485) 7.822 4.063 ( 0.000 -1.884 -0.708) 2.013 4.063 ( 0.000 -1.884 0.708) 2.013 4.395 ( 0.000 -11.885 -2.779) 12.206 4.395 ( 0.000 -11.885 2.779) 12.206 5.104 ( -0.000 1.042 -5.385) 5.485 5.104 ( -0.000 1.042 5.385) 5.485 6.105 ( -0.000 2.121 -0.044) 2.121 6.105 ( -0.000 2.121 0.044) 2.121 6.576 ( 0.000 -2.042 -1.456) 2.508 6.576 ( 0.000 -2.042 1.456) 2.508 6.893 ( 0.000 -0.896 -0.977) 1.326 6.893 ( 0.000 -0.896 0.977) 1.326 7.429 ( 0.000 -3.026 -5.475) 6.256 7.429 ( 0.000 -3.026 5.475) 6.256 7.611 ( -0.000 6.072 -1.606) 6.281 7.611 ( -0.000 6.072 1.606) 6.281 7.760 ( 0.000 -0.100 -2.722) 2.724 7.760 ( 0.000 -0.100 2.722) 2.724 8.077 ( -0.000 0.528 -1.118) 1.236 8.077 ( -0.000 0.528 1.118) 1.236 8.187 ( 0.000 -0.467 -10.039) 10.050 8.187 ( 0.000 -0.467 10.039) 10.050 9.158 ( 0.000 -3.248 -0.799) 3.345 9.158 ( 0.000 -3.248 0.799) 3.345 9.476 ( 0.000 -1.101 -4.312) 4.450 9.476 ( 0.000 -1.101 4.312) 4.450 10.079 ( -0.000 1.688 -6.129) 6.357 10.079 ( -0.000 1.688 6.129) 6.357 ======================= Grid point 522 (146/147) ======================= q-point: (-0.54 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( -6.469 -0.000 -11.479) 13.176 1.482 ( -6.469 -0.000 11.479) 13.176 2.138 ( -8.439 -0.000 -2.533) 8.811 2.138 ( -8.439 -0.000 2.533) 8.811 2.187 ( -2.468 -0.000 -4.069) 4.759 2.187 ( -2.468 -0.000 4.069) 4.759 2.499 ( -3.343 -0.000 -3.317) 4.710 2.499 ( -3.343 -0.000 3.317) 4.710 2.684 ( -15.490 -0.000 -0.740) 15.508 2.684 ( -15.490 -0.000 0.740) 15.508 2.979 ( -10.682 -0.000 -0.101) 10.682 2.979 ( -10.682 -0.000 0.101) 10.682 3.203 ( 0.773 0.000 -14.834) 14.854 3.203 ( 0.773 0.000 14.834) 14.854 3.309 ( -0.911 -0.000 -3.719) 3.829 3.309 ( -0.911 -0.000 3.719) 3.829 3.700 ( -3.307 -0.000 -1.437) 3.605 3.700 ( -3.307 -0.000 1.437) 3.605 3.958 ( 0.992 0.000 -2.083) 2.307 3.958 ( 0.992 0.000 2.083) 2.307 4.119 ( -3.801 -0.000 -2.010) 4.299 4.119 ( -3.801 -0.000 2.010) 4.299 4.245 ( -0.950 -0.000 -6.019) 6.094 4.245 ( -0.950 -0.000 6.019) 6.094 5.071 ( 3.878 0.000 -4.316) 5.802 5.071 ( 3.878 0.000 4.316) 5.802 6.325 ( -17.624 -0.000 -0.618) 17.635 6.325 ( -17.624 -0.000 0.618) 17.635 6.597 ( -3.577 -0.000 -1.612) 3.923 6.597 ( -3.577 -0.000 1.612) 3.923 6.950 ( -6.859 -0.000 -0.848) 6.912 6.950 ( -6.859 -0.000 0.848) 6.912 7.378 ( 1.985 0.000 -4.378) 4.807 7.378 ( 1.985 0.000 4.378) 4.807 7.655 ( 1.605 0.000 -1.327) 2.082 7.655 ( 1.605 0.000 1.327) 2.082 7.705 ( 4.529 0.000 -0.003) 4.529 7.705 ( 4.529 0.000 0.003) 4.529 8.085 ( 3.620 0.000 -8.544) 9.279 8.085 ( 3.620 0.000 8.544) 9.279 8.201 ( -5.144 -0.000 -2.843) 5.877 8.201 ( -5.144 -0.000 2.843) 5.877 9.075 ( 5.487 0.000 -2.943) 6.226 9.075 ( 5.487 0.000 2.943) 6.226 9.423 ( 3.904 0.000 -6.292) 7.405 9.423 ( 3.904 0.000 6.292) 7.405 10.053 ( 3.983 0.000 -4.969) 6.368 10.053 ( 3.983 0.000 4.969) 6.368 ======================= Grid point 526 (147/147) ======================= q-point: (-0.46 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( -0.000 0.585 -12.662) 12.676 1.415 ( -0.000 0.585 12.662) 12.676 2.023 ( -0.000 5.852 -2.626) 6.415 2.023 ( -0.000 5.852 2.626) 6.415 2.172 ( 0.000 -0.874 -6.268) 6.329 2.172 ( 0.000 -0.874 6.268) 6.329 2.367 ( -0.000 0.263 -3.731) 3.740 2.367 ( -0.000 0.263 3.731) 3.740 2.648 ( 0.000 -3.542 -0.577) 3.588 2.648 ( 0.000 -3.542 0.577) 3.588 2.832 ( 0.000 -0.012 -7.647) 7.647 2.832 ( 0.000 -0.012 7.647) 7.647 3.205 ( -0.000 5.009 -14.531) 15.370 3.205 ( -0.000 5.009 14.531) 15.370 3.314 ( 0.000 -2.653 -6.208) 6.751 3.314 ( 0.000 -2.653 6.208) 6.751 3.657 ( 0.000 -0.434 -0.834) 0.940 3.657 ( 0.000 -0.434 0.834) 0.940 3.963 ( -0.000 2.151 -3.849) 4.409 3.963 ( -0.000 2.151 3.849) 4.409 4.071 ( -0.000 3.118 -0.935) 3.255 4.071 ( -0.000 3.118 0.935) 3.255 4.272 ( 0.000 -8.060 -6.375) 10.276 4.272 ( 0.000 -8.060 6.375) 10.276 5.111 ( -0.000 0.271 -4.845) 4.852 5.111 ( -0.000 0.271 4.845) 4.852 6.122 ( -0.000 0.797 -0.105) 0.804 6.122 ( -0.000 0.797 0.105) 0.804 6.560 ( 0.000 -0.708 -1.720) 1.860 6.560 ( 0.000 -0.708 1.720) 1.860 6.885 ( 0.000 -0.382 -0.893) 0.971 6.885 ( 0.000 -0.382 0.893) 0.971 7.402 ( 0.000 -1.296 -4.569) 4.749 7.402 ( 0.000 -1.296 4.569) 4.749 7.663 ( -0.000 2.452 -0.851) 2.596 7.663 ( -0.000 2.452 0.851) 2.596 7.760 ( -0.000 0.099 -1.844) 1.847 7.760 ( -0.000 0.099 1.844) 1.847 8.081 ( -0.000 0.189 -1.117) 1.133 8.081 ( -0.000 0.189 1.117) 1.133 8.180 ( 0.000 -0.497 -10.869) 10.880 8.180 ( 0.000 -0.497 10.869) 10.880 9.133 ( 0.000 -1.151 -0.824) 1.415 9.133 ( 0.000 -1.151 0.824) 1.415 9.468 ( 0.000 -0.368 -5.161) 5.174 9.468 ( 0.000 -0.368 5.161) 5.174 10.093 ( -0.000 0.661 -5.361) 5.401 10.093 ( -0.000 0.661 5.361) 5.401 =================== 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 3/32448 10.0 1266.022 3698.098 1133.416 0.000 0.000 -0.000 3/32448 20.0 300.432 307.906 156.110 0.000 0.000 -0.000 3/32448 30.0 116.267 84.944 54.752 0.000 0.000 -0.000 3/32448 40.0 66.211 40.483 30.544 0.000 0.000 -0.000 3/32448 50.0 44.981 25.013 20.765 0.000 0.000 -0.000 3/32448 60.0 33.405 17.670 15.504 0.000 0.000 -0.000 3/32448 70.0 26.244 13.503 12.240 0.000 0.000 -0.000 3/32448 80.0 21.468 10.863 10.049 0.000 0.000 -0.000 3/32448 90.0 18.105 9.063 8.496 0.000 0.000 -0.000 3/32448 100.0 15.635 7.766 7.351 0.000 0.000 -0.000 3/32448 110.0 13.755 6.793 6.477 0.000 0.000 -0.000 3/32448 120.0 12.282 6.039 5.791 0.000 0.000 -0.000 3/32448 130.0 11.099 5.438 5.239 0.000 0.000 -0.000 3/32448 140.0 10.130 4.948 4.787 0.000 0.000 -0.000 3/32448 150.0 9.321 4.541 4.409 0.000 0.000 -0.000 3/32448 160.0 8.636 4.198 4.088 0.000 0.000 -0.000 3/32448 170.0 8.048 3.905 3.813 0.000 0.000 -0.000 3/32448 180.0 7.537 3.652 3.574 0.000 0.000 -0.000 3/32448 190.0 7.090 3.430 3.365 0.000 0.000 -0.000 3/32448 200.0 6.695 3.235 3.180 0.000 0.000 -0.000 3/32448 210.0 6.343 3.062 3.014 0.000 0.000 -0.000 3/32448 220.0 6.027 2.906 2.866 0.000 0.000 -0.000 3/32448 230.0 5.742 2.767 2.732 0.000 0.000 -0.000 3/32448 240.0 5.484 2.640 2.611 0.000 0.000 -0.000 3/32448 250.0 5.249 2.525 2.500 0.000 0.000 -0.000 3/32448 260.0 5.034 2.420 2.398 0.000 0.000 -0.000 3/32448 270.0 4.836 2.323 2.305 0.000 0.000 -0.000 3/32448 280.0 4.653 2.234 2.219 0.000 0.000 -0.000 3/32448 290.0 4.484 2.152 2.139 0.000 0.000 -0.000 3/32448 300.0 4.327 2.076 2.065 0.000 0.000 -0.000 3/32448 310.0 4.181 2.005 1.996 0.000 0.000 -0.000 3/32448 320.0 4.045 1.939 1.932 0.000 0.000 -0.000 3/32448 330.0 3.918 1.877 1.871 0.000 0.000 -0.000 3/32448 340.0 3.798 1.819 1.815 0.000 0.000 -0.000 3/32448 350.0 3.686 1.765 1.762 0.000 0.000 -0.000 3/32448 360.0 3.580 1.714 1.711 0.000 0.000 -0.000 3/32448 370.0 3.481 1.666 1.664 0.000 0.000 -0.000 3/32448 380.0 3.386 1.620 1.619 0.000 0.000 -0.000 3/32448 390.0 3.297 1.577 1.577 0.000 0.000 -0.000 3/32448 400.0 3.213 1.536 1.537 0.000 0.000 -0.000 3/32448 410.0 3.132 1.498 1.499 0.000 0.000 -0.000 3/32448 420.0 3.056 1.461 1.463 0.000 0.000 -0.000 3/32448 430.0 2.983 1.426 1.428 0.000 0.000 -0.000 3/32448 440.0 2.914 1.393 1.395 0.000 0.000 -0.000 3/32448 450.0 2.848 1.361 1.364 0.000 0.000 -0.000 3/32448 460.0 2.785 1.331 1.334 0.000 0.000 -0.000 3/32448 470.0 2.725 1.302 1.305 0.000 0.000 -0.000 3/32448 480.0 2.667 1.274 1.278 0.000 0.000 -0.000 3/32448 490.0 2.612 1.247 1.251 0.000 0.000 -0.000 3/32448 500.0 2.559 1.222 1.226 0.000 0.000 -0.000 3/32448 510.0 2.508 1.197 1.202 0.000 0.000 -0.000 3/32448 520.0 2.459 1.174 1.178 0.000 0.000 -0.000 3/32448 530.0 2.412 1.151 1.156 0.000 0.000 -0.000 3/32448 540.0 2.367 1.130 1.134 0.000 0.000 -0.000 3/32448 550.0 2.323 1.109 1.114 0.000 0.000 -0.000 3/32448 560.0 2.281 1.089 1.094 0.000 0.000 -0.000 3/32448 570.0 2.241 1.069 1.074 0.000 0.000 -0.000 3/32448 580.0 2.202 1.050 1.056 0.000 0.000 -0.000 3/32448 590.0 2.164 1.032 1.038 0.000 0.000 -0.000 3/32448 600.0 2.128 1.015 1.020 0.000 0.000 -0.000 3/32448 610.0 2.093 0.998 1.004 0.000 0.000 -0.000 3/32448 620.0 2.059 0.982 0.987 0.000 0.000 -0.000 3/32448 630.0 2.026 0.966 0.972 0.000 0.000 -0.000 3/32448 640.0 1.994 0.951 0.956 0.000 0.000 -0.000 3/32448 650.0 1.963 0.936 0.942 0.000 0.000 -0.000 3/32448 660.0 1.933 0.922 0.927 0.000 0.000 -0.000 3/32448 670.0 1.904 0.908 0.913 0.000 0.000 -0.000 3/32448 680.0 1.876 0.894 0.900 0.000 0.000 -0.000 3/32448 690.0 1.848 0.881 0.887 0.000 0.000 -0.000 3/32448 700.0 1.822 0.868 0.874 0.000 0.000 -0.000 3/32448 710.0 1.796 0.856 0.862 0.000 0.000 -0.000 3/32448 720.0 1.771 0.844 0.850 0.000 0.000 -0.000 3/32448 730.0 1.746 0.832 0.838 0.000 0.000 -0.000 3/32448 740.0 1.723 0.821 0.827 0.000 0.000 -0.000 3/32448 750.0 1.700 0.810 0.816 0.000 0.000 -0.000 3/32448 760.0 1.677 0.799 0.805 0.000 0.000 -0.000 3/32448 770.0 1.655 0.789 0.794 0.000 0.000 -0.000 3/32448 780.0 1.634 0.779 0.784 0.000 0.000 -0.000 3/32448 790.0 1.613 0.769 0.774 0.000 0.000 -0.000 3/32448 800.0 1.593 0.759 0.765 0.000 0.000 -0.000 3/32448 810.0 1.573 0.749 0.755 0.000 0.000 -0.000 3/32448 820.0 1.554 0.740 0.746 0.000 0.000 -0.000 3/32448 830.0 1.535 0.731 0.737 0.000 0.000 -0.000 3/32448 840.0 1.517 0.723 0.728 0.000 0.000 -0.000 3/32448 850.0 1.499 0.714 0.720 0.000 0.000 -0.000 3/32448 860.0 1.481 0.706 0.711 0.000 0.000 -0.000 3/32448 870.0 1.464 0.697 0.703 0.000 0.000 -0.000 3/32448 880.0 1.448 0.689 0.695 0.000 0.000 -0.000 3/32448 890.0 1.431 0.682 0.687 0.000 0.000 -0.000 3/32448 900.0 1.415 0.674 0.680 0.000 0.000 -0.000 3/32448 910.0 1.400 0.667 0.672 0.000 0.000 -0.000 3/32448 920.0 1.385 0.659 0.665 0.000 0.000 -0.000 3/32448 930.0 1.370 0.652 0.658 0.000 0.000 -0.000 3/32448 940.0 1.355 0.645 0.651 0.000 0.000 -0.000 3/32448 950.0 1.341 0.638 0.644 0.000 0.000 -0.000 3/32448 960.0 1.327 0.632 0.637 0.000 0.000 -0.000 3/32448 970.0 1.313 0.625 0.631 0.000 0.000 -0.000 3/32448 980.0 1.300 0.619 0.624 0.000 0.000 -0.000 3/32448 990.0 1.286 0.612 0.618 0.000 0.000 -0.000 3/32448 1000.0 1.274 0.606 0.612 0.000 0.000 -0.000 3/32448 Thermal conductivity related properties were written into "kappa-m13134.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:58:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|